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_A 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 0.000 175.486 175.328 0.264 0.000 0.993 24 H CA 0.000 56.215 56.048 0.279 0.000 1.023 24 H CB 0.000 29.870 29.762 0.180 0.000 1.292 25 A N 1.020 124.129 122.820 0.481 0.000 2.386 25 A HA 0.459 4.779 4.320 -0.000 0.000 0.246 25 A C -2.035 175.632 177.584 0.138 0.000 1.089 25 A CA -0.793 51.394 52.037 0.249 0.000 0.790 25 A CB -0.948 18.109 19.000 0.094 0.000 1.042 25 A HN 0.601 nan 8.150 nan 0.000 0.497 26 P HA 0.112 nan 4.420 nan 0.000 0.266 26 P C -0.303 176.937 177.300 -0.100 0.000 1.195 26 P CA 0.046 63.102 63.100 -0.073 0.000 0.768 26 P CB 0.488 32.109 31.700 -0.131 0.000 0.838 27 V N 4.386 124.209 119.914 -0.151 0.000 2.461 27 V HA 0.164 4.284 4.120 -0.000 0.000 0.275 27 V C -0.358 175.434 176.094 -0.503 0.000 1.047 27 V CA -0.283 61.842 62.300 -0.293 0.000 0.955 27 V CB 0.839 32.536 31.823 -0.209 0.000 0.988 27 V HN 0.211 nan 8.190 nan 0.000 0.471 28 V N 8.283 127.841 119.914 -0.594 0.000 2.417 28 V HA 0.553 4.673 4.120 -0.000 0.000 0.291 28 V C -0.522 175.143 176.094 -0.715 0.000 1.024 28 V CA -0.427 61.572 62.300 -0.500 0.000 0.861 28 V CB 1.417 33.078 31.823 -0.270 0.000 0.985 28 V HN 0.764 nan 8.190 nan 0.000 0.436 29 F N 1.560 121.405 119.950 -0.175 0.000 2.507 29 F HA 0.584 5.111 4.527 -0.000 0.000 0.325 29 F C 0.546 176.250 175.800 -0.159 0.000 1.116 29 F CA -0.529 57.372 58.000 -0.164 0.000 0.930 29 F CB 2.287 41.166 39.000 -0.201 0.000 1.146 29 F HN 0.321 nan 8.300 nan 0.000 0.447 30 T N 4.913 119.490 114.554 0.039 0.000 2.794 30 T HA 0.655 5.005 4.350 -0.000 0.000 0.280 30 T C -0.530 174.175 174.700 0.007 0.000 0.987 30 T CA -0.555 61.545 62.100 -0.000 0.000 0.993 30 T CB 0.796 69.650 68.868 -0.025 0.000 0.939 30 T HN 0.325 nan 8.240 nan 0.000 0.449 31 L N 4.262 125.489 121.223 0.007 0.000 2.356 31 L HA 0.633 4.973 4.340 -0.000 0.000 0.277 31 L C 0.296 177.220 176.870 0.090 0.000 0.996 31 L CA -1.096 53.770 54.840 0.044 0.000 0.822 31 L CB 1.747 43.801 42.059 -0.008 0.000 1.256 31 L HN 0.583 nan 8.230 nan 0.000 0.413 32 R N 0.471 121.023 120.500 0.085 0.000 2.664 32 R HA 0.696 5.036 4.340 -0.000 0.000 0.286 32 R C -0.422 175.918 176.300 0.067 0.000 0.967 32 R CA -0.628 55.514 56.100 0.069 0.000 0.933 32 R CB 1.585 31.900 30.300 0.026 0.000 1.146 32 R HN 0.578 nan 8.270 nan 0.000 0.468 33 T N -0.908 113.643 114.554 -0.003 0.000 2.922 33 T HA 0.739 5.089 4.350 -0.000 0.000 0.285 33 T C 0.404 175.048 174.700 -0.094 0.000 1.005 33 T CA -0.068 61.929 62.100 -0.171 0.000 1.061 33 T CB 1.589 70.157 68.868 -0.500 0.000 1.007 33 T HN 0.891 nan 8.240 nan 0.000 0.502 34 G N 1.062 109.792 108.800 -0.117 0.000 2.430 34 G HA2 0.481 4.441 3.960 -0.000 0.000 0.300 34 G HA3 0.481 4.441 3.960 -0.000 0.000 0.300 34 G C -1.796 173.071 174.900 -0.054 0.000 1.330 34 G CA -0.961 44.111 45.100 -0.047 0.000 0.813 34 G HN 0.741 nan 8.290 nan 0.000 0.487 35 I N 1.306 121.862 120.570 -0.022 0.000 2.330 35 I HA 0.715 4.885 4.170 -0.000 0.000 0.289 35 I C 0.414 176.529 176.117 -0.003 0.000 1.001 35 I CA -0.822 60.466 61.300 -0.021 0.000 1.193 35 I CB 0.379 38.370 38.000 -0.014 0.000 1.345 35 I HN 0.906 nan 8.210 nan 0.000 0.461 36 A N 4.447 127.265 122.820 -0.002 0.000 2.594 36 A HA 0.610 4.930 4.320 -0.000 0.000 0.295 36 A C 0.156 177.747 177.584 0.011 0.000 1.071 36 A CA -0.555 51.490 52.037 0.015 0.000 0.685 36 A CB 0.963 19.983 19.000 0.032 0.000 1.285 36 A HN 0.761 nan 8.150 nan 0.000 0.405 37 E N 0.005 120.214 120.200 0.016 0.000 2.450 37 E HA -0.275 4.074 4.350 -0.000 0.000 0.244 37 E C 1.036 177.638 176.600 0.004 0.000 1.226 37 E CA 1.522 57.929 56.400 0.011 0.000 0.720 37 E CB -1.573 28.137 29.700 0.015 0.000 1.254 37 E HN 2.391 nan 8.360 nan 0.000 0.399 38 G N -0.491 108.309 108.800 0.000 0.000 2.157 38 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.248 38 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.248 38 G C 0.190 175.083 174.900 -0.012 0.000 0.979 38 G CA 0.511 45.608 45.100 -0.005 0.000 0.650 38 G HN 0.309 nan 8.290 nan 0.000 0.529 39 R N -1.209 119.281 120.500 -0.017 0.000 2.855 39 R HA 0.719 5.059 4.340 -0.000 0.000 0.266 39 R C -0.149 176.122 176.300 -0.049 0.000 1.034 39 R CA -0.981 55.101 56.100 -0.031 0.000 0.944 39 R CB 1.088 31.373 30.300 -0.025 0.000 1.219 39 R HN 0.178 nan 8.270 nan 0.000 0.474 40 M N 2.738 122.292 119.600 -0.077 0.000 2.146 40 M HA 0.361 4.841 4.480 -0.000 0.000 0.352 40 M C -0.891 175.321 176.300 -0.147 0.000 1.343 40 M CA -0.284 54.942 55.300 -0.122 0.000 1.115 40 M CB 0.608 33.103 32.600 -0.175 0.000 1.657 40 M HN 0.554 nan 8.290 nan 0.000 0.471 41 V N 2.394 122.203 119.914 -0.174 0.000 3.202 41 V HA 0.598 4.718 4.120 -0.000 0.000 0.306 41 V C -1.722 174.225 176.094 -0.245 0.000 1.283 41 V CA -1.053 61.155 62.300 -0.153 0.000 1.065 41 V CB 1.669 33.478 31.823 -0.022 0.000 1.079 41 V HN 0.764 nan 8.190 nan 0.000 0.448 42 Y N 0.490 120.808 120.300 0.031 0.000 2.376 42 Y HA 0.816 5.366 4.550 0.000 0.000 0.325 42 Y C 0.178 176.105 175.900 0.045 0.000 1.199 42 Y CA -0.596 57.532 58.100 0.046 0.000 1.206 42 Y CB 1.682 40.239 38.460 0.161 0.000 1.229 42 Y HN 0.519 nan 8.280 nan 0.000 0.480 43 I N 1.449 122.131 120.570 0.187 0.000 2.498 43 I HA 0.445 4.615 4.170 -0.000 0.000 0.290 43 I C 0.387 176.541 176.117 0.062 0.000 1.032 43 I CA -0.837 60.522 61.300 0.099 0.000 1.073 43 I CB 1.991 40.016 38.000 0.042 0.000 1.251 43 I HN 0.752 nan 8.210 nan 0.000 0.426 44 G N 4.616 113.442 108.800 0.043 0.000 2.483 44 G HA2 0.471 4.431 3.960 -0.000 0.000 0.248 44 G HA3 0.471 4.431 3.960 -0.000 0.000 0.248 44 G C -0.573 174.288 174.900 -0.065 0.000 1.248 44 G CA -0.179 44.929 45.100 0.013 0.000 0.838 44 G HN 0.367 nan 8.290 nan 0.000 0.566 45 V N 2.315 122.197 119.914 -0.053 0.000 2.376 45 V HA 0.753 4.873 4.120 -0.000 0.000 0.287 45 V C 0.876 176.932 176.094 -0.062 0.000 1.015 45 V CA 0.513 62.756 62.300 -0.095 0.000 0.834 45 V CB 0.242 32.021 31.823 -0.073 0.000 1.001 45 V HN 1.773 nan 8.190 nan 0.000 0.428 46 G N 3.804 112.567 108.800 -0.062 0.000 2.750 46 G HA2 0.348 4.308 3.960 -0.000 0.000 0.228 46 G HA3 0.348 4.308 3.960 -0.000 0.000 0.228 46 G C 0.567 175.442 174.900 -0.043 0.000 1.367 46 G CA -0.253 44.811 45.100 -0.061 0.000 0.871 46 G HN 2.299 nan 8.290 nan 0.000 0.560 47 G N -0.639 108.112 108.800 -0.082 0.000 2.578 47 G HA2 0.043 4.003 3.960 -0.000 0.000 0.275 47 G HA3 0.043 4.003 3.960 -0.000 0.000 0.275 47 G C 0.781 175.681 174.900 0.001 0.000 1.271 47 G CA 1.342 46.405 45.100 -0.061 0.000 0.941 47 G HN 2.453 nan 8.290 nan 0.000 0.564 48 D N 0.086 120.512 120.400 0.042 0.000 2.363 48 D HA 0.028 4.668 4.640 -0.000 0.000 0.226 48 D C 2.001 178.347 176.300 0.077 0.000 1.020 48 D CA 1.351 55.389 54.000 0.064 0.000 0.892 48 D CB -0.324 40.525 40.800 0.082 0.000 0.900 48 D HN 1.078 nan 8.370 nan 0.000 0.531 49 I N -3.320 117.301 120.570 0.085 0.000 3.974 49 I HA 0.277 4.447 4.170 -0.000 0.000 0.334 49 I C -0.177 175.975 176.117 0.058 0.000 1.437 49 I CA -0.641 60.706 61.300 0.078 0.000 1.113 49 I CB 0.026 38.082 38.000 0.094 0.000 1.063 49 I HN -0.357 nan 8.210 nan 0.000 0.400 50 D N 2.470 122.902 120.400 0.053 0.000 2.451 50 D HA -0.071 4.569 4.640 -0.000 0.000 0.254 50 D C 0.920 177.292 176.300 0.120 0.000 1.204 50 D CA 1.099 55.126 54.000 0.044 0.000 0.896 50 D CB 0.022 40.870 40.800 0.079 0.000 1.136 50 D HN 0.353 nan 8.370 nan 0.000 0.499 51 H N 1.041 120.133 119.070 0.038 0.000 3.211 51 H HA -0.190 4.366 4.556 -0.000 0.000 0.240 51 H C -0.244 175.110 175.328 0.043 0.000 1.148 51 H CA 0.943 57.014 56.048 0.038 0.000 1.160 51 H CB -0.995 28.784 29.762 0.029 0.000 1.232 51 H HN 0.511 nan 8.280 nan 0.000 0.321 52 K N 1.180 121.647 120.400 0.111 0.000 2.234 52 K HA 0.266 4.586 4.320 -0.000 0.000 0.282 52 K C 0.649 177.306 176.600 0.095 0.000 1.039 52 K CA -0.769 55.576 56.287 0.097 0.000 0.928 52 K CB 1.323 33.872 32.500 0.081 0.000 1.039 52 K HN -0.056 nan 8.250 nan 0.000 0.470 53 I N 2.940 123.564 120.570 0.091 0.000 2.496 53 I HA -0.052 4.118 4.170 -0.000 0.000 0.285 53 I C 0.421 176.606 176.117 0.113 0.000 1.080 53 I CA -0.256 61.101 61.300 0.095 0.000 1.404 53 I CB -0.604 37.437 38.000 0.068 0.000 1.403 53 I HN 0.732 nan 8.210 nan 0.000 0.539 54 N N 4.263 123.068 118.700 0.176 0.000 2.699 54 N HA -0.147 4.592 4.740 -0.000 0.000 0.256 54 N C -2.356 173.258 175.510 0.173 0.000 0.993 54 N CA -0.229 52.947 53.050 0.210 0.000 0.759 54 N CB -0.996 37.553 38.487 0.104 0.000 0.906 54 N HN 0.500 nan 8.380 nan 0.000 0.541 55 P HA 0.014 nan 4.420 nan 0.000 0.269 55 P C -0.109 177.270 177.300 0.131 0.000 1.209 55 P CA 0.234 63.405 63.100 0.118 0.000 0.776 55 P CB 0.654 32.398 31.700 0.073 0.000 0.876 56 T N 3.634 118.224 114.554 0.061 0.000 2.799 56 T HA 0.208 4.558 4.350 -0.000 0.000 0.296 56 T C 0.445 175.100 174.700 -0.075 0.000 0.947 56 T CA -0.047 62.074 62.100 0.035 0.000 1.141 56 T CB -0.264 68.616 68.868 0.021 0.000 0.891 56 T HN 0.191 nan 8.240 nan 0.000 0.533 57 L N 4.446 125.558 121.223 -0.185 0.000 2.259 57 L HA 0.465 4.805 4.340 -0.000 0.000 0.288 57 L C 0.344 177.027 176.870 -0.310 0.000 1.051 57 L CA -0.906 53.559 54.840 -0.625 0.000 0.824 57 L CB 0.803 42.222 42.059 -1.067 0.000 1.206 57 L HN 0.389 nan 8.230 nan 0.000 0.429 58 V N 5.567 125.413 119.914 -0.113 0.000 2.407 58 V HA 0.671 4.791 4.120 -0.000 0.000 0.278 58 V C -0.322 175.845 176.094 0.121 0.000 1.037 58 V CA -0.044 62.264 62.300 0.014 0.000 0.900 58 V CB 1.825 33.653 31.823 0.009 0.000 0.983 58 V HN 0.482 nan 8.190 nan 0.000 0.459 59 V N 6.109 126.041 119.914 0.031 0.000 3.159 59 V HA 0.626 4.746 4.120 -0.000 0.000 0.308 59 V C -0.894 175.146 176.094 -0.091 0.000 1.190 59 V CA -0.744 61.607 62.300 0.084 0.000 1.037 59 V CB 2.613 34.498 31.823 0.103 0.000 1.060 59 V HN 0.993 nan 8.190 nan 0.000 0.437 60 H N 1.170 120.295 119.070 0.092 0.000 2.524 60 H HA 0.352 4.908 4.556 -0.000 0.000 0.353 60 H C -0.356 175.005 175.328 0.056 0.000 1.136 60 H CA -0.557 55.539 56.048 0.080 0.000 1.193 60 H CB 2.041 31.850 29.762 0.078 0.000 1.558 60 H HN 0.752 nan 8.280 nan 0.000 0.515 61 E N 0.766 121.070 120.200 0.174 0.000 2.608 61 E HA -0.043 4.307 4.350 -0.000 0.000 0.259 61 E C 0.789 177.437 176.600 0.079 0.000 0.951 61 E CA 1.221 57.698 56.400 0.127 0.000 0.945 61 E CB 0.097 29.873 29.700 0.126 0.000 0.916 61 E HN 0.970 nan 8.360 nan 0.000 0.477 62 G N 3.600 112.428 108.800 0.048 0.000 2.225 62 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 62 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 62 G C -0.002 174.860 174.900 -0.062 0.000 0.988 62 G CA 0.337 45.435 45.100 -0.004 0.000 0.625 62 G HN 0.626 nan 8.290 nan 0.000 0.527 63 E N 1.163 121.326 120.200 -0.062 0.000 2.392 63 E HA 0.391 4.740 4.350 -0.000 0.000 0.264 63 E C 0.037 176.524 176.600 -0.188 0.000 1.024 63 E CA 0.339 56.669 56.400 -0.117 0.000 0.903 63 E CB 0.500 30.174 29.700 -0.043 0.000 0.963 63 E HN 0.148 nan 8.360 nan 0.000 0.432 64 T N 2.367 116.801 114.554 -0.199 0.000 2.749 64 T HA 0.217 4.567 4.350 -0.000 0.000 0.295 64 T C -0.289 174.199 174.700 -0.353 0.000 0.936 64 T CA -0.474 61.465 62.100 -0.268 0.000 1.060 64 T CB 0.522 69.279 68.868 -0.186 0.000 0.904 64 T HN 0.086 nan 8.240 nan 0.000 0.500 65 V N 4.795 124.334 119.914 -0.626 0.000 2.398 65 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 65 V C 0.081 175.811 176.094 -0.605 0.000 1.026 65 V CA -0.764 61.143 62.300 -0.655 0.000 0.868 65 V CB 1.540 32.698 31.823 -1.108 0.000 0.982 65 V HN 0.803 nan 8.190 nan 0.000 0.443 66 Q N 3.775 123.337 119.800 -0.398 0.000 2.316 66 Q HA 0.692 5.032 4.340 -0.000 0.000 0.264 66 Q C -1.763 174.031 176.000 -0.342 0.000 0.987 66 Q CA -0.471 55.107 55.803 -0.374 0.000 0.852 66 Q CB 2.167 30.745 28.738 -0.267 0.000 1.287 66 Q HN 0.573 nan 8.270 nan 0.000 0.448 67 V N 4.338 123.942 119.914 -0.517 0.000 2.448 67 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 67 V C -0.765 175.207 176.094 -0.202 0.000 1.025 67 V CA -0.981 61.087 62.300 -0.386 0.000 0.859 67 V CB 1.843 33.313 31.823 -0.588 0.000 0.988 67 V HN 0.766 nan 8.190 nan 0.000 0.431 68 N N 4.864 123.516 118.700 -0.080 0.000 2.444 68 N HA 0.434 5.174 4.740 -0.000 0.000 0.262 68 N C -1.002 174.531 175.510 0.038 0.000 0.974 68 N CA -0.341 52.704 53.050 -0.009 0.000 0.933 68 N CB 2.367 40.835 38.487 -0.031 0.000 1.137 68 N HN 0.555 nan 8.380 nan 0.000 0.498 69 L N 3.057 124.338 121.223 0.097 0.000 2.296 69 L HA 0.523 4.863 4.340 -0.000 0.000 0.286 69 L C -1.092 175.841 176.870 0.104 0.000 1.023 69 L CA -0.673 54.241 54.840 0.122 0.000 0.812 69 L CB 1.190 43.357 42.059 0.180 0.000 1.223 69 L HN 0.110 nan 8.230 nan 0.000 0.421 70 V N 4.533 124.503 119.914 0.094 0.000 2.540 70 V HA 0.321 4.440 4.120 -0.000 0.000 0.302 70 V C 0.152 176.303 176.094 0.095 0.000 1.035 70 V CA -0.972 61.377 62.300 0.080 0.000 0.873 70 V CB 1.767 33.620 31.823 0.051 0.000 0.992 70 V HN 0.720 nan 8.190 nan 0.000 0.428 71 N N 3.145 121.912 118.700 0.111 0.000 2.442 71 N HA 0.182 4.922 4.740 -0.000 0.000 0.265 71 N C 0.963 176.533 175.510 0.100 0.000 1.138 71 N CA 0.752 53.890 53.050 0.147 0.000 0.956 71 N CB 1.956 40.545 38.487 0.169 0.000 1.067 71 N HN 0.835 nan 8.380 nan 0.000 0.474 72 G N 2.731 111.583 108.800 0.086 0.000 2.510 72 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.212 72 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.212 72 G C 0.893 175.831 174.900 0.064 0.000 1.151 72 G CA 0.209 45.344 45.100 0.058 0.000 0.817 72 G HN 0.685 nan 8.290 nan 0.000 0.534 73 E N -0.370 119.884 120.200 0.091 0.000 2.541 73 E HA 0.242 4.592 4.350 -0.000 0.000 0.219 73 E C 1.327 177.970 176.600 0.071 0.000 0.922 73 E CA 1.001 57.445 56.400 0.073 0.000 1.095 73 E CB 0.051 29.788 29.700 0.061 0.000 1.112 73 E HN 0.719 nan 8.360 nan 0.000 0.516 74 G N 0.891 109.745 108.800 0.090 0.000 2.168 74 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.197 74 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.197 74 G C 0.454 175.356 174.900 0.003 0.000 0.997 74 G CA 0.087 45.215 45.100 0.047 0.000 0.658 74 G HN 0.694 nan 8.290 nan 0.000 0.513 75 A N -0.297 122.510 122.820 -0.021 0.000 2.271 75 A HA 0.777 5.096 4.320 -0.000 0.000 0.288 75 A C 0.515 177.848 177.584 -0.417 0.000 1.094 75 A CA 0.335 52.276 52.037 -0.159 0.000 0.828 75 A CB 0.583 19.510 19.000 -0.122 0.000 1.091 75 A HN 0.642 nan 8.150 nan 0.000 0.493 76 Q N 0.384 119.984 119.800 -0.333 0.000 2.314 76 Q HA 0.361 4.701 4.340 -0.000 0.000 0.258 76 Q C -1.077 174.625 176.000 -0.497 0.000 0.954 76 Q CA 0.077 55.696 55.803 -0.307 0.000 0.890 76 Q CB 0.288 28.920 28.738 -0.176 0.000 1.210 76 Q HN 0.822 nan 8.270 nan 0.000 0.410 77 H N 1.814 120.913 119.070 0.049 0.000 3.016 77 H HA 0.349 4.905 4.556 -0.000 0.000 0.362 77 H C -1.162 174.196 175.328 0.049 0.000 1.233 77 H CA -0.756 55.335 56.048 0.071 0.000 1.124 77 H CB 1.813 31.644 29.762 0.115 0.000 1.850 77 H HN 0.814 nan 8.280 nan 0.000 0.549 78 D N -0.477 120.050 120.400 0.212 0.000 2.798 78 D HA 0.509 5.149 4.640 -0.000 0.000 0.308 78 D C -0.987 175.425 176.300 0.186 0.000 1.187 78 D CA -0.770 53.303 54.000 0.122 0.000 1.033 78 D CB 1.076 41.867 40.800 -0.015 0.000 1.445 78 D HN 0.198 nan 8.370 nan 0.000 0.550 79 V N -0.254 119.675 119.914 0.024 0.000 2.638 79 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 79 V C -0.582 175.348 176.094 -0.274 0.000 1.052 79 V CA -0.825 61.468 62.300 -0.012 0.000 0.885 79 V CB 1.735 33.576 31.823 0.030 0.000 0.999 79 V HN 0.553 nan 8.190 nan 0.000 0.424 80 V N 4.789 124.471 119.914 -0.386 0.000 2.495 80 V HA 0.488 4.608 4.120 -0.000 0.000 0.298 80 V C -0.257 175.623 176.094 -0.358 0.000 1.031 80 V CA -0.710 61.289 62.300 -0.502 0.000 0.871 80 V CB 2.172 33.550 31.823 -0.743 0.000 0.988 80 V HN 0.620 nan 8.190 nan 0.000 0.432 81 V N 3.477 123.292 119.914 -0.165 0.000 2.364 81 V HA 0.183 4.303 4.120 -0.000 0.000 0.272 81 V C 1.128 177.242 176.094 0.033 0.000 1.036 81 V CA -0.116 62.157 62.300 -0.044 0.000 0.880 81 V CB 1.154 32.856 31.823 -0.203 0.000 0.991 81 V HN 1.004 nan 8.190 nan 0.000 0.460 82 D N 3.809 124.325 120.400 0.195 0.000 2.126 82 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 82 D C 1.774 178.178 176.300 0.174 0.000 1.001 82 D CA 2.053 56.222 54.000 0.281 0.000 0.841 82 D CB 0.351 41.351 40.800 0.334 0.000 0.949 82 D HN 0.758 nan 8.370 nan 0.000 0.446 83 Q N -1.969 117.930 119.800 0.164 0.000 2.281 83 Q HA 0.034 4.374 4.340 -0.000 0.000 0.215 83 Q C 1.195 177.067 176.000 -0.215 0.000 0.867 83 Q CA -0.042 55.769 55.803 0.013 0.000 0.940 83 Q CB 0.330 29.146 28.738 0.131 0.000 1.111 83 Q HN 0.445 nan 8.270 nan 0.000 0.513 84 Y N 0.861 121.030 120.300 -0.219 0.000 2.523 84 Y HA 0.228 4.778 4.550 -0.000 0.000 0.279 84 Y C 1.197 177.002 175.900 -0.157 0.000 1.139 84 Y CA 0.332 58.272 58.100 -0.267 0.000 1.296 84 Y CB 0.368 38.491 38.460 -0.561 0.000 1.045 84 Y HN 0.127 nan 8.280 nan 0.000 0.538 85 A N 0.481 123.302 122.820 0.003 0.000 2.640 85 A HA -0.072 4.248 4.320 -0.000 0.000 0.300 85 A C 0.527 178.106 177.584 -0.009 0.000 1.499 85 A CA 0.607 52.639 52.037 -0.008 0.000 0.759 85 A CB -1.846 17.154 19.000 -0.001 0.000 1.048 85 A HN 0.517 nan 8.150 nan 0.000 0.450 86 A N 0.019 122.823 122.820 -0.027 0.000 2.324 86 A HA 0.929 5.248 4.320 -0.000 0.000 0.330 86 A C 0.263 177.729 177.584 -0.198 0.000 1.165 86 A CA 0.024 52.078 52.037 0.029 0.000 0.813 86 A CB 0.873 19.994 19.000 0.201 0.000 1.197 86 A HN 1.855 nan 8.150 nan 0.000 0.484 87 R N 0.191 120.385 120.500 -0.510 0.000 2.692 87 R HA 0.660 5.000 4.340 -0.000 0.000 0.269 87 R C -0.468 175.068 176.300 -1.273 0.000 1.030 87 R CA -0.136 55.390 56.100 -0.957 0.000 0.882 87 R CB 0.919 30.945 30.300 -0.455 0.000 1.250 87 R HN 0.809 nan 8.270 nan 0.000 0.465 88 S N 1.019 115.996 115.700 -1.205 0.000 2.645 88 S HA 0.677 5.147 4.470 -0.000 0.000 0.266 88 S C 0.530 174.981 174.600 -0.249 0.000 1.258 88 S CA -0.388 57.492 58.200 -0.533 0.000 0.990 88 S CB 1.218 64.302 63.200 -0.193 0.000 0.967 88 S HN 0.872 nan 8.310 nan 0.000 0.556 89 A N 1.071 123.830 122.820 -0.101 0.000 2.346 89 A HA 0.494 4.814 4.320 -0.000 0.000 0.252 89 A C 0.375 177.940 177.584 -0.032 0.000 1.089 89 A CA -0.720 51.283 52.037 -0.056 0.000 0.797 89 A CB -0.442 18.547 19.000 -0.018 0.000 1.047 89 A HN 0.833 nan 8.150 nan 0.000 0.494 90 I N 0.544 121.100 120.570 -0.024 0.000 2.588 90 I HA 0.195 4.365 4.170 -0.000 0.000 0.283 90 I C -0.193 175.934 176.117 0.016 0.000 1.119 90 I CA 0.247 61.545 61.300 -0.003 0.000 1.419 90 I CB 0.969 38.956 38.000 -0.022 0.000 1.394 90 I HN 0.240 nan 8.210 nan 0.000 0.562 91 V N 7.442 127.382 119.914 0.043 0.000 2.444 91 V HA 0.287 4.407 4.120 -0.000 0.000 0.294 91 V C 0.345 176.461 176.094 0.037 0.000 1.022 91 V CA -0.399 61.936 62.300 0.058 0.000 0.850 91 V CB 1.504 33.390 31.823 0.104 0.000 0.992 91 V HN 0.759 nan 8.190 nan 0.000 0.426 92 N N 3.456 122.168 118.700 0.019 0.000 2.513 92 N HA 0.152 4.892 4.740 -0.000 0.000 0.196 92 N C 0.709 176.221 175.510 0.004 0.000 1.041 92 N CA 0.828 53.874 53.050 -0.006 0.000 0.916 92 N CB 0.475 38.957 38.487 -0.009 0.000 1.172 92 N HN 0.684 nan 8.380 nan 0.000 0.444 93 G N 0.620 109.432 108.800 0.020 0.000 2.491 93 G HA2 0.342 4.302 3.960 -0.000 0.000 0.327 93 G HA3 0.342 4.302 3.960 -0.000 0.000 0.327 93 G C -0.470 174.457 174.900 0.044 0.000 1.189 93 G CA -0.453 44.662 45.100 0.025 0.000 0.956 93 G HN 0.073 nan 8.290 nan 0.000 0.491 94 K N 0.494 120.920 120.400 0.044 0.000 2.504 94 K HA -0.062 4.258 4.320 -0.000 0.000 0.278 94 K C 0.648 177.276 176.600 0.047 0.000 1.025 94 K CA 0.963 57.281 56.287 0.051 0.000 1.093 94 K CB 0.061 32.586 32.500 0.041 0.000 0.873 94 K HN 0.557 nan 8.250 nan 0.000 0.483 95 N N 0.232 118.964 118.700 0.053 0.000 2.946 95 N HA -0.204 4.536 4.740 -0.000 0.000 0.207 95 N C -0.680 174.858 175.510 0.047 0.000 0.906 95 N CA 1.417 54.495 53.050 0.046 0.000 1.035 95 N CB -1.765 36.743 38.487 0.035 0.000 0.998 95 N HN 0.713 nan 8.380 nan 0.000 0.595 96 A N 0.682 123.532 122.820 0.051 0.000 2.565 96 A HA 0.459 4.779 4.320 -0.000 0.000 0.237 96 A C 0.460 178.081 177.584 0.062 0.000 1.053 96 A CA 0.990 53.056 52.037 0.049 0.000 0.755 96 A CB 0.238 19.266 19.000 0.047 0.000 0.980 96 A HN 0.256 nan 8.150 nan 0.000 0.506 97 S N 0.342 116.074 115.700 0.053 0.000 2.569 97 S HA 0.754 5.224 4.470 -0.000 0.000 0.280 97 S C -0.465 174.171 174.600 0.061 0.000 1.111 97 S CA -0.471 57.765 58.200 0.060 0.000 0.887 97 S CB 1.880 65.107 63.200 0.045 0.000 1.095 97 S HN 1.164 nan 8.310 nan 0.000 0.476 98 S N 0.798 116.547 115.700 0.081 0.000 2.536 98 S HA 0.739 5.209 4.470 -0.000 0.000 0.271 98 S C -1.271 173.411 174.600 0.138 0.000 1.134 98 S CA -0.342 57.913 58.200 0.090 0.000 0.897 98 S CB 1.809 65.057 63.200 0.080 0.000 1.094 98 S HN 0.599 nan 8.310 nan 0.000 0.473 99 T N 3.980 118.617 114.554 0.138 0.000 2.863 99 T HA 0.830 5.180 4.350 -0.000 0.000 0.285 99 T C -1.356 173.492 174.700 0.247 0.000 1.009 99 T CA -0.391 61.790 62.100 0.134 0.000 0.989 99 T CB 0.556 69.448 68.868 0.041 0.000 1.004 99 T HN 0.637 nan 8.240 nan 0.000 0.455 100 F N 0.333 120.275 119.950 -0.014 0.000 2.741 100 F HA 0.848 5.375 4.527 0.000 0.000 0.313 100 F C -0.867 174.935 175.800 0.004 0.000 1.153 100 F CA -1.207 56.794 58.000 0.001 0.000 0.931 100 F CB 0.908 39.918 39.000 0.017 0.000 1.335 100 F HN 0.541 nan 8.300 nan 0.000 0.460 101 S N 0.704 116.384 115.700 -0.033 0.000 2.607 101 S HA 0.927 5.397 4.470 -0.000 0.000 0.273 101 S C -1.433 173.216 174.600 0.080 0.000 1.148 101 S CA -0.633 57.458 58.200 -0.182 0.000 0.833 101 S CB 2.324 65.422 63.200 -0.170 0.000 1.130 101 S HN 1.665 nan 8.310 nan 0.000 0.470 102 F N -1.524 118.329 119.950 -0.163 0.000 2.693 102 F HA 0.778 5.305 4.527 -0.000 0.000 0.309 102 F C -1.697 173.996 175.800 -0.179 0.000 1.129 102 F CA -1.391 56.532 58.000 -0.129 0.000 0.948 102 F CB 0.787 39.694 39.000 -0.155 0.000 1.315 102 F HN 0.454 nan 8.300 nan 0.000 0.447 103 V N 2.431 122.341 119.914 -0.007 0.000 2.461 103 V HA 0.560 4.680 4.120 -0.000 0.000 0.275 103 V C 0.609 176.713 176.094 0.018 0.000 1.047 103 V CA -0.250 62.004 62.300 -0.077 0.000 0.955 103 V CB 0.935 32.760 31.823 0.003 0.000 0.988 103 V HN 1.049 nan 8.190 nan 0.000 0.471 104 A N 3.910 126.656 122.820 -0.123 0.000 3.037 104 A HA 0.302 4.622 4.320 -0.000 0.000 0.272 104 A C 1.529 179.216 177.584 0.172 0.000 1.723 104 A CA 0.305 52.334 52.037 -0.013 0.000 1.413 104 A CB -0.418 18.544 19.000 -0.064 0.000 1.112 104 A HN 1.043 nan 8.150 nan 0.000 0.606 105 S N 0.634 116.520 115.700 0.310 0.000 2.489 105 S HA 0.011 4.481 4.470 -0.000 0.000 0.228 105 S C 0.540 175.256 174.600 0.194 0.000 0.995 105 S CA 0.443 58.769 58.200 0.210 0.000 0.934 105 S CB -0.218 63.086 63.200 0.173 0.000 0.771 105 S HN 0.620 nan 8.310 nan 0.000 0.522 106 K N 1.584 122.139 120.400 0.260 0.000 2.413 106 K HA 0.625 4.945 4.320 -0.000 0.000 0.257 106 K C -0.978 175.845 176.600 0.372 0.000 0.946 106 K CA -0.761 55.661 56.287 0.226 0.000 0.823 106 K CB 2.253 34.837 32.500 0.140 0.000 1.109 106 K HN -0.079 nan 8.250 nan 0.000 0.427 107 V N 2.322 122.406 119.914 0.284 0.000 3.032 107 V HA 0.379 4.499 4.120 -0.000 0.000 0.307 107 V C 1.003 177.283 176.094 0.309 0.000 1.097 107 V CA 1.269 63.729 62.300 0.267 0.000 1.191 107 V CB 0.529 32.442 31.823 0.149 0.000 0.964 107 V HN 1.054 nan 8.190 nan 0.000 0.494 108 G N 3.944 112.874 108.800 0.217 0.000 2.334 108 G HA2 0.047 4.007 3.960 -0.000 0.000 0.315 108 G HA3 0.047 4.007 3.960 -0.000 0.000 0.315 108 G C -1.190 173.593 174.900 -0.195 0.000 1.284 108 G CA -0.771 44.284 45.100 -0.074 0.000 0.985 108 G HN 0.618 nan 8.290 nan 0.000 0.504 109 E N -0.498 119.381 120.200 -0.535 0.000 2.171 109 E HA 0.627 4.977 4.350 -0.000 0.000 0.271 109 E C -1.389 174.829 176.600 -0.637 0.000 0.916 109 E CA -0.412 55.783 56.400 -0.343 0.000 0.774 109 E CB 1.832 31.429 29.700 -0.173 0.000 1.128 109 E HN 0.294 nan 8.360 nan 0.000 0.403 110 F N 1.142 121.147 119.950 0.092 0.000 2.547 110 F HA 0.303 4.830 4.527 -0.000 0.000 0.316 110 F C 0.317 176.181 175.800 0.106 0.000 1.121 110 F CA -0.926 57.139 58.000 0.109 0.000 0.911 110 F CB 1.393 40.505 39.000 0.186 0.000 1.179 110 F HN 0.276 nan 8.300 nan 0.000 0.443 111 N N 1.545 120.389 118.700 0.239 0.000 2.530 111 N HA 0.304 5.044 4.740 -0.000 0.000 0.273 111 N C -1.358 174.322 175.510 0.284 0.000 1.173 111 N CA -0.450 52.705 53.050 0.175 0.000 0.967 111 N CB 0.704 39.275 38.487 0.140 0.000 1.109 111 N HN 0.603 nan 8.380 nan 0.000 0.453 112 Y N 0.120 120.518 120.300 0.164 0.000 2.468 112 Y HA 0.677 5.227 4.550 -0.000 0.000 0.342 112 Y C -0.870 175.141 175.900 0.185 0.000 1.021 112 Y CA -1.290 56.851 58.100 0.069 0.000 1.079 112 Y CB 0.772 39.193 38.460 -0.064 0.000 1.226 112 Y HN 0.586 nan 8.280 nan 0.000 0.460 113 Y N 0.316 120.768 120.300 0.252 0.000 2.689 113 Y HA 0.576 5.126 4.550 -0.000 0.000 0.333 113 Y C -1.519 174.589 175.900 0.347 0.000 1.208 113 Y CA -2.277 55.985 58.100 0.270 0.000 1.055 113 Y CB 0.495 39.030 38.460 0.126 0.000 1.304 113 Y HN 1.033 nan 8.280 nan 0.000 0.455 114 C N 2.257 121.857 119.300 0.500 0.000 2.369 114 C HA 0.582 5.042 4.460 -0.000 0.000 0.358 114 C C 1.463 176.663 174.990 0.349 0.000 1.274 114 C CA 0.509 59.737 59.018 0.350 0.000 1.935 114 C CB 0.145 28.083 27.740 0.331 0.000 2.431 114 C HN 0.985 nan 8.230 nan 0.000 0.545 115 S N 5.431 121.243 115.700 0.185 0.000 2.556 115 S HA 0.201 4.671 4.470 -0.000 0.000 0.216 115 S C 0.489 175.119 174.600 0.049 0.000 0.970 115 S CA -0.106 58.210 58.200 0.195 0.000 0.912 115 S CB -0.293 62.977 63.200 0.116 0.000 0.790 115 S HN 0.682 nan 8.310 nan 0.000 0.504 116 I N 3.227 123.755 120.570 -0.071 0.000 2.710 116 I HA 0.188 4.358 4.170 -0.000 0.000 0.286 116 I C 1.144 177.124 176.117 -0.228 0.000 1.181 116 I CA -0.721 60.408 61.300 -0.284 0.000 1.430 116 I CB -0.771 36.827 38.000 -0.669 0.000 1.367 116 I HN 0.314 nan 8.210 nan 0.000 0.577 117 A N 5.087 127.824 122.820 -0.139 0.000 2.561 117 A HA 0.369 4.689 4.320 -0.000 0.000 0.251 117 A C 1.394 179.015 177.584 0.060 0.000 1.062 117 A CA 0.723 52.743 52.037 -0.028 0.000 0.761 117 A CB -0.667 18.322 19.000 -0.018 0.000 0.986 117 A HN 1.428 nan 8.150 nan 0.000 0.510 118 G N 1.642 110.504 108.800 0.103 0.000 2.268 118 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.240 118 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.240 118 G C 0.911 175.946 174.900 0.225 0.000 1.010 118 G CA 0.797 45.988 45.100 0.151 0.000 0.618 118 G HN 0.935 nan 8.290 nan 0.000 0.516 119 H N 0.308 119.409 119.070 0.051 0.000 2.357 119 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 119 H C 2.702 178.065 175.328 0.059 0.000 1.082 119 H CA 1.363 57.448 56.048 0.062 0.000 1.342 119 H CB 0.129 29.954 29.762 0.105 0.000 1.389 119 H HN 0.492 nan 8.280 nan 0.000 0.511 120 R N 1.541 122.170 120.500 0.216 0.000 2.081 120 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 120 R C 2.094 178.433 176.300 0.065 0.000 1.131 120 R CA 1.532 57.718 56.100 0.144 0.000 0.960 120 R CB -0.007 30.362 30.300 0.114 0.000 0.856 120 R HN 0.362 nan 8.270 nan 0.000 0.436 121 Q N -0.319 119.512 119.800 0.052 0.000 2.119 121 Q HA -0.030 4.310 4.340 -0.000 0.000 0.201 121 Q C 2.110 178.119 176.000 0.015 0.000 0.972 121 Q CA 1.445 57.261 55.803 0.021 0.000 0.847 121 Q CB -0.062 28.687 28.738 0.019 0.000 0.903 121 Q HN 0.509 nan 8.270 nan 0.000 0.433 122 A N -0.121 122.712 122.820 0.021 0.000 2.125 122 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 122 A C 1.596 179.164 177.584 -0.027 0.000 1.156 122 A CA 1.463 53.491 52.037 -0.015 0.000 0.671 122 A CB -0.249 18.719 19.000 -0.053 0.000 0.794 122 A HN 0.513 nan 8.150 nan 0.000 0.459 123 G N -2.795 105.999 108.800 -0.010 0.000 2.559 123 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.202 123 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.202 123 G C 0.219 175.118 174.900 -0.002 0.000 0.992 123 G CA -0.065 45.028 45.100 -0.012 0.000 0.764 123 G HN 0.227 nan 8.290 nan 0.000 0.525 124 M N 1.852 121.453 119.600 0.002 0.000 3.011 124 M HA 0.453 4.933 4.480 -0.000 0.000 0.292 124 M C -0.019 176.430 176.300 0.250 0.000 1.440 124 M CA 0.594 55.892 55.300 -0.004 0.000 1.552 124 M CB 0.118 32.626 32.600 -0.154 0.000 1.187 124 M HN 0.388 nan 8.290 nan 0.000 0.520 125 E N 0.988 121.306 120.200 0.197 0.000 2.381 125 E HA 0.680 5.030 4.350 -0.000 0.000 0.286 125 E C -1.405 175.052 176.600 -0.238 0.000 0.960 125 E CA -0.558 55.869 56.400 0.046 0.000 0.793 125 E CB 2.030 31.749 29.700 0.032 0.000 1.225 125 E HN 0.563 nan 8.360 nan 0.000 0.420 126 G N 2.030 110.323 108.800 -0.844 0.000 2.870 126 G HA2 0.450 4.410 3.960 -0.000 0.000 0.299 126 G HA3 0.450 4.410 3.960 -0.000 0.000 0.299 126 G C -1.343 173.153 174.900 -0.673 0.000 1.324 126 G CA -0.709 43.902 45.100 -0.814 0.000 0.808 126 G HN 0.457 nan 8.290 nan 0.000 0.535 127 N N -0.412 118.153 118.700 -0.224 0.000 2.319 127 N HA 0.537 5.277 4.740 -0.000 0.000 0.305 127 N C -0.946 174.693 175.510 0.216 0.000 1.103 127 N CA -0.429 52.640 53.050 0.032 0.000 0.815 127 N CB 2.435 40.932 38.487 0.017 0.000 1.288 127 N HN 0.332 nan 8.380 nan 0.000 0.493 128 I N 1.363 122.091 120.570 0.263 0.000 2.354 128 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 128 I C 0.071 176.327 176.117 0.233 0.000 0.989 128 I CA -0.520 60.905 61.300 0.209 0.000 1.188 128 I CB 1.325 39.481 38.000 0.261 0.000 1.342 128 I HN 0.170 nan 8.210 nan 0.000 0.457 129 Q N 5.226 125.105 119.800 0.132 0.000 2.368 129 Q HA 0.389 4.729 4.340 -0.000 0.000 0.256 129 Q C -0.982 175.097 176.000 0.131 0.000 0.980 129 Q CA -0.584 55.293 55.803 0.124 0.000 0.887 129 Q CB 2.419 31.181 28.738 0.039 0.000 1.221 129 Q HN 0.441 nan 8.270 nan 0.000 0.458 130 V N 5.525 125.588 119.914 0.249 0.000 2.368 130 V HA 0.255 4.375 4.120 -0.000 0.000 0.266 130 V C 0.050 176.204 176.094 0.100 0.000 1.045 130 V CA -0.283 62.135 62.300 0.197 0.000 0.899 130 V CB 0.307 32.339 31.823 0.349 0.000 1.006 130 V HN 0.636 nan 8.190 nan 0.000 0.470 131 L N 7.979 129.168 121.223 -0.057 0.000 2.360 131 L HA 0.561 4.901 4.340 -0.000 0.000 0.271 131 L C -1.994 174.903 176.870 0.046 0.000 1.057 131 L CA -1.876 52.919 54.840 -0.074 0.000 0.803 131 L CB 1.910 43.806 42.059 -0.273 0.000 1.207 131 L HN 0.394 nan 8.230 nan 0.000 0.445 132 P HA 0.314 nan 4.420 nan 0.000 0.274 132 P C 0.036 177.479 177.300 0.238 0.000 1.256 132 P CA 0.231 63.419 63.100 0.147 0.000 0.795 132 P CB 1.167 32.929 31.700 0.103 0.000 1.038 133 G N 0.676 109.587 108.800 0.184 0.000 2.627 133 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.214 133 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.214 133 G C -1.107 173.848 174.900 0.091 0.000 1.331 133 G CA -0.683 44.504 45.100 0.144 0.000 0.891 133 G HN 0.661 nan 8.290 nan 0.000 0.539 134 N N 0.007 118.676 118.700 -0.052 0.000 2.405 134 N HA 0.533 5.273 4.740 -0.000 0.000 0.299 134 N C 0.488 175.699 175.510 -0.498 0.000 1.075 134 N CA -0.699 52.242 53.050 -0.182 0.000 0.884 134 N CB 1.739 40.191 38.487 -0.059 0.000 1.194 134 N HN 0.810 nan 8.380 nan 0.000 0.491 135 R N 0.841 120.992 120.500 -0.581 0.000 2.583 135 R HA 0.143 4.483 4.340 -0.000 0.000 0.274 135 R C 0.135 176.321 176.300 -0.190 0.000 0.998 135 R CA -0.131 55.680 56.100 -0.481 0.000 1.081 135 R CB 0.195 30.465 30.300 -0.051 0.000 0.940 135 R HN 0.670 nan 8.270 nan 0.000 0.413 136 A N 4.063 126.815 122.820 -0.113 0.000 2.492 136 A HA 0.048 4.368 4.320 -0.000 0.000 0.236 136 A C -0.192 177.366 177.584 -0.044 0.000 1.078 136 A CA -0.225 51.785 52.037 -0.044 0.000 0.773 136 A CB 0.210 19.209 19.000 -0.003 0.000 1.023 136 A HN 0.761 nan 8.150 nan 0.000 0.504 137 E N 0.945 121.128 120.200 -0.028 0.000 2.404 137 E HA 0.124 4.474 4.350 -0.000 0.000 0.261 137 E C 0.187 176.762 176.600 -0.042 0.000 1.074 137 E CA 0.167 56.546 56.400 -0.034 0.000 0.917 137 E CB 0.288 29.979 29.700 -0.016 0.000 0.965 137 E HN 0.599 nan 8.360 nan 0.000 0.433 138 M N 2.078 121.642 119.600 -0.059 0.000 2.249 138 M HA 0.029 4.509 4.480 -0.000 0.000 0.340 138 M C 0.539 176.818 176.300 -0.035 0.000 1.166 138 M CA 0.923 56.189 55.300 -0.056 0.000 1.115 138 M CB 0.008 32.566 32.600 -0.070 0.000 1.606 138 M HN 0.327 nan 8.290 nan 0.000 0.448 139 K N 0.602 120.987 120.400 -0.026 0.000 2.533 139 K HA 0.849 5.169 4.320 -0.000 0.000 0.272 139 K C -1.267 175.326 176.600 -0.011 0.000 0.985 139 K CA -0.915 55.363 56.287 -0.015 0.000 0.876 139 K CB 2.098 34.594 32.500 -0.007 0.000 1.452 139 K HN 0.790 nan 8.250 nan 0.000 0.439 140 S N -0.861 114.836 115.700 -0.005 0.000 2.643 140 S HA 0.200 4.670 4.470 -0.000 0.000 0.266 140 S C -0.138 174.465 174.600 0.004 0.000 1.130 140 S CA -0.294 57.906 58.200 -0.000 0.000 0.817 140 S CB 0.695 63.895 63.200 0.000 0.000 1.107 140 S HN 0.945 nan 8.310 nan 0.000 0.471 141 S N -0.400 115.306 115.700 0.009 0.000 2.701 141 S HA 0.423 4.893 4.470 -0.000 0.000 0.220 141 S C 0.851 175.459 174.600 0.013 0.000 0.954 141 S CA -0.019 58.187 58.200 0.010 0.000 0.936 141 S CB -0.866 62.341 63.200 0.011 0.000 0.777 141 S HN 1.311 nan 8.310 nan 0.000 0.518 142 G N 0.465 109.275 108.800 0.016 0.000 2.461 142 G HA2 0.668 4.628 3.960 -0.000 0.000 0.329 142 G HA3 0.668 4.628 3.960 -0.000 0.000 0.329 142 G C -0.196 174.707 174.900 0.004 0.000 1.170 142 G CA -0.626 44.488 45.100 0.022 0.000 0.935 142 G HN 0.539 nan 8.290 nan 0.000 0.492 143 A N 0.306 123.124 122.820 -0.003 0.000 2.386 143 A HA 0.451 4.771 4.320 -0.000 0.000 0.248 143 A C 0.191 177.745 177.584 -0.051 0.000 1.082 143 A CA -0.274 51.750 52.037 -0.022 0.000 0.789 143 A CB 0.481 19.466 19.000 -0.024 0.000 1.025 143 A HN 0.621 nan 8.150 nan 0.000 0.490 144 D N 0.851 121.226 120.400 -0.041 0.000 2.346 144 D HA 0.237 4.877 4.640 -0.000 0.000 0.260 144 D C 0.419 176.670 176.300 -0.080 0.000 1.252 144 D CA -0.209 53.761 54.000 -0.050 0.000 0.895 144 D CB 0.221 41.019 40.800 -0.004 0.000 1.097 144 D HN 0.330 nan 8.370 nan 0.000 0.489 145 I N 0.834 121.299 120.570 -0.174 0.000 3.914 145 I HA 0.221 4.390 4.170 -0.000 0.000 0.333 145 I C 0.441 176.463 176.117 -0.158 0.000 1.449 145 I CA -0.734 60.425 61.300 -0.234 0.000 1.135 145 I CB -0.704 36.978 38.000 -0.531 0.000 1.073 145 I HN 0.181 nan 8.210 nan 0.000 0.401 146 T N -0.667 113.865 114.554 -0.037 0.000 2.889 146 T HA 0.524 4.874 4.350 -0.000 0.000 0.291 146 T C 0.106 174.856 174.700 0.082 0.000 0.995 146 T CA -0.585 61.561 62.100 0.077 0.000 1.092 146 T CB 1.572 70.583 68.868 0.239 0.000 0.954 146 T HN 0.380 nan 8.240 nan 0.000 0.506 147 R N 1.989 122.504 120.500 0.026 0.000 2.221 147 R HA 0.207 4.547 4.340 -0.000 0.000 0.327 147 R C -0.200 175.956 176.300 -0.239 0.000 1.033 147 R CA -0.499 55.562 56.100 -0.066 0.000 0.887 147 R CB 0.291 30.530 30.300 -0.101 0.000 1.057 147 R HN 0.756 nan 8.270 nan 0.000 0.455 148 D N 5.866 125.975 120.400 -0.485 0.000 2.487 148 D HA -0.020 4.620 4.640 -0.000 0.000 0.243 148 D C -1.471 174.734 176.300 -0.158 0.000 1.154 148 D CA -1.557 52.029 54.000 -0.691 0.000 0.876 148 D CB 1.373 41.949 40.800 -0.375 0.000 1.161 148 D HN 0.410 nan 8.370 nan 0.000 0.478 149 P HA -0.032 nan 4.420 nan 0.000 0.233 149 P C 0.586 178.087 177.300 0.335 0.000 1.167 149 P CA 0.422 63.636 63.100 0.190 0.000 0.770 149 P CB 0.227 32.050 31.700 0.204 0.000 0.837 150 A N -0.254 122.718 122.820 0.254 0.000 2.251 150 A HA 0.001 4.321 4.320 -0.000 0.000 0.209 150 A C 1.083 178.710 177.584 0.070 0.000 1.187 150 A CA 0.277 52.414 52.037 0.166 0.000 0.823 150 A CB -0.849 18.254 19.000 0.172 0.000 0.846 150 A HN 0.003 nan 8.150 nan 0.000 0.486 151 D N 1.283 121.741 120.400 0.096 0.000 2.558 151 D HA 0.397 5.037 4.640 -0.000 0.000 0.221 151 D C -0.275 176.087 176.300 0.104 0.000 1.143 151 D CA 0.044 54.094 54.000 0.084 0.000 1.010 151 D CB -0.586 40.264 40.800 0.084 0.000 1.068 151 D HN 0.466 nan 8.370 nan 0.000 0.511 152 L N -0.061 121.139 121.223 -0.038 0.000 2.465 152 L HA 0.776 5.116 4.340 -0.000 0.000 0.257 152 L C -2.738 174.019 176.870 -0.188 0.000 0.988 152 L CA -2.035 52.682 54.840 -0.206 0.000 0.827 152 L CB 1.358 43.003 42.059 -0.689 0.000 1.397 152 L HN -0.188 nan 8.230 nan 0.000 0.410 153 P HA 0.299 nan 4.420 nan 0.000 0.269 153 P C 0.098 177.307 177.300 -0.151 0.000 1.209 153 P CA 0.056 63.097 63.100 -0.098 0.000 0.776 153 P CB 0.858 32.539 31.700 -0.032 0.000 0.876 154 G N 2.504 111.245 108.800 -0.100 0.000 2.563 154 G HA2 0.387 4.347 3.960 -0.000 0.000 0.283 154 G HA3 0.387 4.347 3.960 -0.000 0.000 0.283 154 G C -2.471 172.396 174.900 -0.056 0.000 1.309 154 G CA -1.245 43.802 45.100 -0.088 0.000 1.022 154 G HN 0.330 nan 8.290 nan 0.000 0.501 155 P HA 0.050 nan 4.420 nan 0.000 0.265 155 P C 0.035 177.325 177.300 -0.017 0.000 1.187 155 P CA 0.272 63.365 63.100 -0.012 0.000 0.766 155 P CB 0.488 32.183 31.700 -0.008 0.000 0.820 156 I N 1.408 121.972 120.570 -0.011 0.000 2.720 156 I HA 0.164 4.334 4.170 -0.000 0.000 0.287 156 I C 1.704 177.811 176.117 -0.016 0.000 1.090 156 I CA -0.130 61.160 61.300 -0.017 0.000 1.384 156 I CB 0.343 38.332 38.000 -0.018 0.000 1.420 156 I HN 0.415 nan 8.210 nan 0.000 0.575 157 G N 4.282 113.070 108.800 -0.019 0.000 2.680 157 G HA2 0.040 4.000 3.960 -0.000 0.000 0.274 157 G HA3 0.040 4.000 3.960 -0.000 0.000 0.274 157 G C -1.931 172.961 174.900 -0.014 0.000 1.292 157 G CA -0.542 44.548 45.100 -0.017 0.000 1.007 157 G HN 0.580 nan 8.290 nan 0.000 0.578 158 P HA 0.192 nan 4.420 nan 0.000 0.214 158 P C 0.199 177.491 177.300 -0.014 0.000 1.807 158 P CA -0.343 62.751 63.100 -0.011 0.000 0.921 158 P CB -0.064 31.631 31.700 -0.009 0.000 1.835 159 R N 0.216 120.705 120.500 -0.017 0.000 2.827 159 R HA 0.163 4.503 4.340 -0.000 0.000 0.269 159 R C 0.677 176.965 176.300 -0.020 0.000 1.048 159 R CA -0.170 55.918 56.100 -0.021 0.000 1.173 159 R CB 0.117 30.401 30.300 -0.027 0.000 1.070 159 R HN 0.177 nan 8.270 nan 0.000 0.498 160 Q N 0.515 120.301 119.800 -0.022 0.000 2.312 160 Q HA 0.349 4.689 4.340 -0.000 0.000 0.236 160 Q C -0.692 175.290 176.000 -0.031 0.000 0.965 160 Q CA -0.014 55.775 55.803 -0.023 0.000 0.894 160 Q CB 1.411 30.135 28.738 -0.023 0.000 1.225 160 Q HN 0.685 nan 8.270 nan 0.000 0.478 161 A N 2.310 125.111 122.820 -0.033 0.000 2.507 161 A HA 0.395 4.715 4.320 -0.000 0.000 0.235 161 A C -0.478 177.075 177.584 -0.051 0.000 1.070 161 A CA 0.469 52.480 52.037 -0.043 0.000 0.768 161 A CB -0.062 18.913 19.000 -0.042 0.000 1.011 161 A HN 0.713 nan 8.150 nan 0.000 0.502 162 K N -0.676 119.684 120.400 -0.066 0.000 2.556 162 K HA 0.636 4.956 4.320 -0.000 0.000 0.289 162 K C -1.011 175.531 176.600 -0.097 0.000 1.040 162 K CA -0.720 55.524 56.287 -0.072 0.000 0.894 162 K CB 0.597 33.059 32.500 -0.063 0.000 1.547 162 K HN 0.278 nan 8.250 nan 0.000 0.417 163 T N 1.198 115.694 114.554 -0.097 0.000 2.743 163 T HA 0.413 4.763 4.350 -0.000 0.000 0.293 163 T C -0.771 173.856 174.700 -0.121 0.000 0.945 163 T CA -0.643 61.384 62.100 -0.122 0.000 1.030 163 T CB 0.705 69.510 68.868 -0.105 0.000 0.912 163 T HN 0.310 nan 8.240 nan 0.000 0.483 164 V N 4.834 124.652 119.914 -0.159 0.000 2.417 164 V HA 0.437 4.556 4.120 -0.000 0.000 0.291 164 V C 0.458 176.461 176.094 -0.152 0.000 1.024 164 V CA -0.966 61.246 62.300 -0.147 0.000 0.861 164 V CB 1.535 33.259 31.823 -0.164 0.000 0.985 164 V HN 0.688 nan 8.190 nan 0.000 0.436 165 R N 4.785 125.224 120.500 -0.101 0.000 2.234 165 R HA 0.567 4.907 4.340 -0.000 0.000 0.324 165 R C -1.130 175.131 176.300 -0.065 0.000 1.054 165 R CA -0.256 55.806 56.100 -0.063 0.000 0.912 165 R CB 0.654 30.919 30.300 -0.058 0.000 1.030 165 R HN 0.651 nan 8.270 nan 0.000 0.455 166 I N 3.440 123.982 120.570 -0.047 0.000 2.474 166 I HA 0.232 4.402 4.170 -0.000 0.000 0.294 166 I C -0.227 175.915 176.117 0.041 0.000 1.005 166 I CA -0.625 60.653 61.300 -0.037 0.000 1.113 166 I CB 2.152 40.091 38.000 -0.102 0.000 1.289 166 I HN 0.366 nan 8.210 nan 0.000 0.436 167 D N 7.438 127.858 120.400 0.034 0.000 2.217 167 D HA 0.588 5.228 4.640 -0.000 0.000 0.243 167 D C -0.770 175.581 176.300 0.085 0.000 1.054 167 D CA -0.255 53.788 54.000 0.072 0.000 0.838 167 D CB 2.583 43.404 40.800 0.036 0.000 1.162 167 D HN 0.232 nan 8.370 nan 0.000 0.472 168 L N 1.566 122.865 121.223 0.126 0.000 2.401 168 L HA 0.411 4.751 4.340 -0.000 0.000 0.266 168 L C -0.127 176.866 176.870 0.205 0.000 0.991 168 L CA -0.699 54.245 54.840 0.172 0.000 0.818 168 L CB 2.823 44.981 42.059 0.166 0.000 1.321 168 L HN 0.259 nan 8.230 nan 0.000 0.413 169 E N 1.272 121.605 120.200 0.221 0.000 2.222 169 E HA 0.435 4.785 4.350 -0.000 0.000 0.267 169 E C -1.127 175.578 176.600 0.175 0.000 0.884 169 E CA -0.572 55.937 56.400 0.183 0.000 0.764 169 E CB 2.079 31.866 29.700 0.146 0.000 1.169 169 E HN 0.607 nan 8.360 nan 0.000 0.413 170 T N 0.613 115.223 114.554 0.094 0.000 2.743 170 T HA 0.469 4.819 4.350 -0.000 0.000 0.292 170 T C -0.335 174.288 174.700 -0.127 0.000 0.972 170 T CA -0.795 61.234 62.100 -0.119 0.000 0.967 170 T CB 1.034 69.757 68.868 -0.241 0.000 0.926 170 T HN 0.219 nan 8.240 nan 0.000 0.459 171 V N 2.117 121.929 119.914 -0.171 0.000 2.588 171 V HA 0.599 4.719 4.120 -0.000 0.000 0.304 171 V C -0.851 175.164 176.094 -0.132 0.000 1.042 171 V CA -0.873 61.348 62.300 -0.132 0.000 0.877 171 V CB 1.789 33.551 31.823 -0.101 0.000 0.996 171 V HN 0.970 nan 8.190 nan 0.000 0.425 172 E N 4.581 124.713 120.200 -0.114 0.000 2.167 172 E HA 0.631 4.981 4.350 -0.000 0.000 0.284 172 E C -0.925 175.697 176.600 0.036 0.000 1.016 172 E CA -0.380 56.035 56.400 0.024 0.000 0.817 172 E CB 2.167 31.828 29.700 -0.065 0.000 1.080 172 E HN 0.658 nan 8.360 nan 0.000 0.397 173 V N 3.297 123.278 119.914 0.112 0.000 2.851 173 V HA 0.210 4.330 4.120 -0.000 0.000 0.307 173 V C -1.107 175.054 176.094 0.111 0.000 1.129 173 V CA -0.962 61.374 62.300 0.060 0.000 0.932 173 V CB 2.000 33.833 31.823 0.016 0.000 1.024 173 V HN 0.654 nan 8.190 nan 0.000 0.426 174 K N 4.461 124.902 120.400 0.069 0.000 2.382 174 K HA 0.493 4.813 4.320 -0.000 0.000 0.286 174 K C 0.066 176.729 176.600 0.106 0.000 1.062 174 K CA 0.535 56.871 56.287 0.083 0.000 1.000 174 K CB 0.287 32.811 32.500 0.039 0.000 0.954 174 K HN 0.954 nan 8.250 nan 0.000 0.470 175 G N 2.877 111.813 108.800 0.227 0.000 2.454 175 G HA2 0.154 4.114 3.960 -0.000 0.000 0.329 175 G HA3 0.154 4.114 3.960 -0.000 0.000 0.329 175 G C -1.307 173.693 174.900 0.166 0.000 1.177 175 G CA -0.657 44.515 45.100 0.120 0.000 0.951 175 G HN 0.699 nan 8.290 nan 0.000 0.485 176 Q N 0.101 119.916 119.800 0.026 0.000 2.293 176 Q HA 0.227 4.567 4.340 -0.000 0.000 0.263 176 Q C 0.505 176.551 176.000 0.076 0.000 1.002 176 Q CA -0.462 55.364 55.803 0.037 0.000 0.910 176 Q CB 1.015 29.743 28.738 -0.016 0.000 1.185 176 Q HN 0.441 nan 8.270 nan 0.000 0.401 177 L N 3.910 125.187 121.223 0.091 0.000 2.425 177 L HA 0.423 4.763 4.340 -0.000 0.000 0.215 177 L C -0.490 176.349 176.870 -0.051 0.000 1.065 177 L CA 1.270 56.123 54.840 0.022 0.000 0.842 177 L CB 0.618 42.577 42.059 -0.167 0.000 1.033 177 L HN 0.753 nan 8.230 nan 0.000 0.474 178 D N -1.957 118.420 120.400 -0.039 0.000 2.725 178 D HA 0.128 4.768 4.640 -0.000 0.000 0.292 178 D C -1.590 174.687 176.300 -0.038 0.000 1.288 178 D CA -0.544 53.440 54.000 -0.028 0.000 0.784 178 D CB 1.192 41.982 40.800 -0.016 0.000 1.308 178 D HN -0.058 nan 8.370 nan 0.000 0.429 179 D N 0.539 120.909 120.400 -0.051 0.000 2.531 179 D HA 0.097 4.737 4.640 -0.000 0.000 0.239 179 D C 0.674 176.950 176.300 -0.039 0.000 1.144 179 D CA 0.950 54.921 54.000 -0.048 0.000 0.869 179 D CB 0.139 40.901 40.800 -0.063 0.000 1.160 179 D HN 0.481 nan 8.370 nan 0.000 0.484 180 N N 1.705 120.391 118.700 -0.023 0.000 2.741 180 N HA -0.227 4.513 4.740 -0.000 0.000 0.251 180 N C -1.272 174.230 175.510 -0.013 0.000 1.112 180 N CA 1.488 54.530 53.050 -0.014 0.000 0.750 180 N CB -1.241 37.239 38.487 -0.012 0.000 1.119 180 N HN 0.520 nan 8.380 nan 0.000 0.561 181 T N -1.544 113.000 114.554 -0.015 0.000 2.971 181 T HA 0.672 5.022 4.350 -0.000 0.000 0.304 181 T C -0.355 174.346 174.700 0.003 0.000 1.038 181 T CA 0.356 62.447 62.100 -0.014 0.000 1.007 181 T CB 1.556 70.404 68.868 -0.032 0.000 1.055 181 T HN 0.367 nan 8.240 nan 0.000 0.451 182 T N 1.740 116.311 114.554 0.028 0.000 2.901 182 T HA 0.784 5.134 4.350 -0.000 0.000 0.293 182 T C -1.482 173.290 174.700 0.120 0.000 1.084 182 T CA -0.845 61.304 62.100 0.080 0.000 1.008 182 T CB 1.873 70.777 68.868 0.060 0.000 1.170 182 T HN 0.851 nan 8.240 nan 0.000 0.509 183 Y N -0.479 119.809 120.300 -0.019 0.000 2.558 183 Y HA 0.467 5.017 4.550 -0.000 0.000 0.333 183 Y C -0.892 174.961 175.900 -0.079 0.000 1.125 183 Y CA -0.662 57.345 58.100 -0.155 0.000 1.039 183 Y CB 1.852 40.070 38.460 -0.403 0.000 1.331 183 Y HN 0.884 nan 8.280 nan 0.000 0.456 184 T N 5.710 119.866 114.554 -0.662 0.000 2.743 184 T HA 0.235 4.585 4.350 -0.000 0.000 0.290 184 T C -0.901 173.537 174.700 -0.437 0.000 0.908 184 T CA 0.309 62.175 62.100 -0.390 0.000 1.092 184 T CB -0.824 67.869 68.868 -0.291 0.000 0.882 184 T HN 0.328 nan 8.240 nan 0.000 0.531 185 Y N 1.593 121.856 120.300 -0.062 0.000 2.307 185 Y HA 0.447 4.997 4.550 -0.000 0.000 0.324 185 Y C -0.013 175.997 175.900 0.183 0.000 1.238 185 Y CA -0.887 57.224 58.100 0.020 0.000 1.280 185 Y CB 0.926 39.422 38.460 0.061 0.000 1.248 185 Y HN 0.526 nan 8.280 nan 0.000 0.508 186 W N 1.467 122.799 121.300 0.053 0.000 2.600 186 W HA 0.548 5.208 4.660 0.000 0.000 0.325 186 W C -0.635 175.780 176.519 -0.172 0.000 1.034 186 W CA -1.503 55.778 57.345 -0.107 0.000 1.226 186 W CB 1.379 30.765 29.460 -0.124 0.000 1.379 186 W HN 0.458 nan 8.180 nan 0.000 0.466 187 T N -0.807 113.706 114.554 -0.068 0.000 2.896 187 T HA 0.701 5.051 4.350 -0.000 0.000 0.297 187 T C -1.141 173.391 174.700 -0.280 0.000 1.108 187 T CA -0.718 61.303 62.100 -0.132 0.000 1.004 187 T CB 1.584 70.439 68.868 -0.022 0.000 1.159 187 T HN -0.032 nan 8.240 nan 0.000 0.499 188 F N 2.274 122.251 119.950 0.044 0.000 2.421 188 F HA 0.434 4.961 4.527 -0.000 0.000 0.358 188 F C 1.077 176.923 175.800 0.076 0.000 1.115 188 F CA -0.468 57.584 58.000 0.086 0.000 1.160 188 F CB 0.141 39.255 39.000 0.189 0.000 1.123 188 F HN 0.700 nan 8.300 nan 0.000 0.508 189 N N 2.195 121.030 118.700 0.224 0.000 2.747 189 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 189 N C 1.066 176.634 175.510 0.096 0.000 1.107 189 N CA 1.253 54.396 53.050 0.155 0.000 0.707 189 N CB -1.281 37.311 38.487 0.175 0.000 1.054 189 N HN 1.074 nan 8.380 nan 0.000 0.555 190 G N -1.863 106.971 108.800 0.056 0.000 2.184 190 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.264 190 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.264 190 G C 0.081 174.976 174.900 -0.008 0.000 0.975 190 G CA 1.078 46.186 45.100 0.014 0.000 0.642 190 G HN 0.595 nan 8.290 nan 0.000 0.536 191 K N -1.203 119.204 120.400 0.013 0.000 2.466 191 K HA 0.752 5.072 4.320 -0.000 0.000 0.260 191 K C -1.073 175.504 176.600 -0.039 0.000 1.011 191 K CA -0.934 55.339 56.287 -0.024 0.000 0.871 191 K CB 2.979 35.487 32.500 0.014 0.000 1.404 191 K HN 0.114 nan 8.250 nan 0.000 0.450 192 V N 2.812 122.671 119.914 -0.092 0.000 2.525 192 V HA 0.318 4.438 4.120 -0.000 0.000 0.299 192 V C -2.245 173.778 176.094 -0.118 0.000 1.034 192 V CA -1.906 60.299 62.300 -0.159 0.000 0.863 192 V CB 1.614 33.340 31.823 -0.161 0.000 0.999 192 V HN 0.700 nan 8.190 nan 0.000 0.423 193 P HA 0.120 nan 4.420 nan 0.000 0.272 193 P C 0.402 177.714 177.300 0.020 0.000 1.254 193 P CA 0.250 63.255 63.100 -0.158 0.000 0.795 193 P CB 0.780 32.416 31.700 -0.107 0.000 1.022 194 G N 0.217 109.100 108.800 0.140 0.000 2.570 194 G HA2 0.316 4.276 3.960 -0.000 0.000 0.276 194 G HA3 0.316 4.276 3.960 -0.000 0.000 0.276 194 G C -2.425 172.723 174.900 0.413 0.000 1.346 194 G CA -1.075 44.220 45.100 0.324 0.000 1.034 194 G HN 0.370 nan 8.290 nan 0.000 0.512 195 P HA 0.096 nan 4.420 nan 0.000 0.268 195 P C -0.615 176.888 177.300 0.339 0.000 1.205 195 P CA -0.131 63.178 63.100 0.349 0.000 0.771 195 P CB 0.409 32.241 31.700 0.219 0.000 0.858 196 F N 3.937 123.885 119.950 -0.004 0.000 2.471 196 F HA 0.208 4.735 4.527 -0.000 0.000 0.365 196 F C -0.198 175.496 175.800 -0.177 0.000 1.095 196 F CA -0.149 57.616 58.000 -0.392 0.000 1.174 196 F CB 0.026 38.487 39.000 -0.899 0.000 1.105 196 F HN 0.079 nan 8.300 nan 0.000 0.535 197 L N 7.154 128.220 121.223 -0.263 0.000 2.307 197 L HA 0.546 4.886 4.340 -0.000 0.000 0.282 197 L C -0.216 176.502 176.870 -0.252 0.000 1.051 197 L CA -0.737 54.001 54.840 -0.171 0.000 0.804 197 L CB 1.548 43.506 42.059 -0.169 0.000 1.197 197 L HN 0.575 nan 8.230 nan 0.000 0.431 198 R N 2.972 123.422 120.500 -0.084 0.000 2.502 198 R HA 0.693 5.033 4.340 -0.000 0.000 0.298 198 R C -1.269 174.994 176.300 -0.061 0.000 1.018 198 R CA -0.444 55.634 56.100 -0.037 0.000 0.899 198 R CB 1.811 32.171 30.300 0.100 0.000 1.181 198 R HN 0.566 nan 8.270 nan 0.000 0.444 199 V N 0.028 119.899 119.914 -0.071 0.000 3.156 199 V HA 0.704 4.824 4.120 -0.000 0.000 0.310 199 V C -1.202 174.865 176.094 -0.044 0.000 1.234 199 V CA -1.201 61.053 62.300 -0.076 0.000 1.065 199 V CB 1.995 33.743 31.823 -0.124 0.000 1.088 199 V HN 0.738 nan 8.190 nan 0.000 0.451 200 R N 0.640 121.112 120.500 -0.046 0.000 2.637 200 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 200 R C -0.798 175.490 176.300 -0.020 0.000 0.963 200 R CA -0.434 55.651 56.100 -0.024 0.000 0.901 200 R CB 2.081 32.364 30.300 -0.029 0.000 1.160 200 R HN 1.010 nan 8.270 nan 0.000 0.457 201 V N 1.784 121.700 119.914 0.003 0.000 2.752 201 V HA 0.164 4.284 4.120 -0.000 0.000 0.306 201 V C 1.346 177.432 176.094 -0.013 0.000 1.099 201 V CA 0.873 63.178 62.300 0.008 0.000 1.240 201 V CB 0.292 32.128 31.823 0.022 0.000 0.887 201 V HN 1.137 nan 8.190 nan 0.000 0.499 202 G N 2.235 111.022 108.800 -0.021 0.000 2.234 202 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 202 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 202 G C -0.049 174.816 174.900 -0.059 0.000 0.997 202 G CA 0.162 45.242 45.100 -0.033 0.000 0.623 202 G HN 0.811 nan 8.290 nan 0.000 0.514 203 D N 1.059 121.413 120.400 -0.077 0.000 2.368 203 D HA 0.517 5.156 4.640 -0.000 0.000 0.240 203 D C 0.436 176.638 176.300 -0.164 0.000 1.169 203 D CA 0.830 54.760 54.000 -0.117 0.000 0.906 203 D CB 0.842 41.562 40.800 -0.134 0.000 1.187 203 D HN 0.089 nan 8.370 nan 0.000 0.435 204 T N 0.780 115.214 114.554 -0.200 0.000 2.779 204 T HA 0.413 4.763 4.350 -0.000 0.000 0.280 204 T C -0.301 174.168 174.700 -0.385 0.000 0.987 204 T CA -0.611 61.325 62.100 -0.272 0.000 0.966 204 T CB 1.192 69.942 68.868 -0.196 0.000 0.933 204 T HN -0.047 nan 8.240 nan 0.000 0.442 205 V N 3.587 123.102 119.914 -0.666 0.000 2.427 205 V HA 0.407 4.527 4.120 -0.000 0.000 0.286 205 V C 0.255 175.953 176.094 -0.659 0.000 1.034 205 V CA -0.708 61.122 62.300 -0.782 0.000 0.893 205 V CB 1.546 32.550 31.823 -1.365 0.000 0.982 205 V HN 0.849 nan 8.190 nan 0.000 0.452 206 E N 4.327 124.300 120.200 -0.378 0.000 2.102 206 E HA 0.432 4.782 4.350 -0.000 0.000 0.263 206 E C -1.296 175.221 176.600 -0.138 0.000 0.894 206 E CA -0.713 55.545 56.400 -0.237 0.000 0.746 206 E CB 1.479 31.118 29.700 -0.101 0.000 1.129 206 E HN 0.613 nan 8.360 nan 0.000 0.416 207 L N 5.764 126.891 121.223 -0.159 0.000 2.275 207 L HA 0.289 4.629 4.340 -0.000 0.000 0.288 207 L C -0.981 175.848 176.870 -0.069 0.000 1.046 207 L CA -0.322 54.501 54.840 -0.029 0.000 0.805 207 L CB 0.780 42.893 42.059 0.090 0.000 1.193 207 L HN 0.568 nan 8.230 nan 0.000 0.426 208 H N 6.766 125.844 119.070 0.013 0.000 2.581 208 H HA 0.284 4.840 4.556 -0.000 0.000 0.308 208 H C -0.874 174.494 175.328 0.067 0.000 1.040 208 H CA -0.598 55.471 56.048 0.035 0.000 1.231 208 H CB 1.766 31.538 29.762 0.016 0.000 1.396 208 H HN 0.531 nan 8.280 nan 0.000 0.467 209 L N 4.639 125.953 121.223 0.152 0.000 2.265 209 L HA 0.309 4.649 4.340 -0.000 0.000 0.289 209 L C -0.532 176.426 176.870 0.146 0.000 1.033 209 L CA -0.621 54.317 54.840 0.163 0.000 0.814 209 L CB 0.404 42.565 42.059 0.169 0.000 1.203 209 L HN 0.400 nan 8.230 nan 0.000 0.423 210 K N 3.675 124.162 120.400 0.146 0.000 2.206 210 K HA 0.298 4.618 4.320 -0.000 0.000 0.264 210 K C -0.827 175.845 176.600 0.120 0.000 0.967 210 K CA -0.772 55.583 56.287 0.114 0.000 0.844 210 K CB 1.447 34.002 32.500 0.093 0.000 1.099 210 K HN 0.392 nan 8.250 nan 0.000 0.441 211 N N 2.279 121.041 118.700 0.102 0.000 2.437 211 N HA 0.034 4.774 4.740 -0.000 0.000 0.259 211 N C -0.879 174.694 175.510 0.105 0.000 0.983 211 N CA -0.381 52.740 53.050 0.119 0.000 0.937 211 N CB 0.397 38.958 38.487 0.124 0.000 1.122 211 N HN 0.517 nan 8.380 nan 0.000 0.499 212 H N 1.918 121.006 119.070 0.031 0.000 3.016 212 H HA -0.056 4.500 4.556 -0.000 0.000 0.345 212 H C 1.409 176.744 175.328 0.012 0.000 1.066 212 H CA 0.911 56.970 56.048 0.018 0.000 1.390 212 H CB 1.002 30.767 29.762 0.005 0.000 1.344 212 H HN 0.627 nan 8.280 nan 0.000 0.605 213 K N 2.311 122.561 120.400 -0.250 0.000 2.283 213 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 213 K C 0.339 176.999 176.600 0.101 0.000 1.048 213 K CA 1.660 57.908 56.287 -0.065 0.000 0.948 213 K CB 0.350 32.764 32.500 -0.144 0.000 0.742 213 K HN 0.535 nan 8.250 nan 0.000 0.458 214 D N 1.212 121.831 120.400 0.364 0.000 2.340 214 D HA 0.037 4.677 4.640 -0.000 0.000 0.220 214 D C -0.234 176.125 176.300 0.098 0.000 1.039 214 D CA 0.248 54.373 54.000 0.209 0.000 0.866 214 D CB 0.301 41.214 40.800 0.189 0.000 0.913 214 D HN 0.097 nan 8.370 nan 0.000 0.523 215 S N 0.456 116.218 115.700 0.103 0.000 2.549 215 S HA 0.133 4.603 4.470 -0.000 0.000 0.283 215 S C 1.729 176.302 174.600 -0.044 0.000 1.320 215 S CA -0.341 57.865 58.200 0.011 0.000 1.058 215 S CB 1.149 64.387 63.200 0.064 0.000 0.882 215 S HN 0.154 nan 8.310 nan 0.000 0.498 216 L N 1.544 122.701 121.223 -0.110 0.000 2.240 216 L HA 0.064 4.404 4.340 -0.000 0.000 0.211 216 L C 0.489 177.247 176.870 -0.188 0.000 1.106 216 L CA 0.726 55.495 54.840 -0.118 0.000 0.793 216 L CB -0.175 41.825 42.059 -0.098 0.000 0.927 216 L HN 0.468 nan 8.230 nan 0.000 0.446 217 M N -0.106 119.291 119.600 -0.339 0.000 2.537 217 M HA 0.286 4.766 4.480 -0.000 0.000 0.324 217 M C -0.162 175.842 176.300 -0.494 0.000 1.187 217 M CA -0.847 54.166 55.300 -0.479 0.000 0.993 217 M CB 2.105 34.182 32.600 -0.872 0.000 1.666 217 M HN -0.212 nan 8.290 nan 0.000 0.461 218 V N 2.756 122.454 119.914 -0.362 0.000 2.811 218 V HA 0.272 4.392 4.120 -0.000 0.000 0.302 218 V C -0.574 175.211 176.094 -0.516 0.000 1.063 218 V CA 0.264 62.380 62.300 -0.307 0.000 1.088 218 V CB 0.374 32.109 31.823 -0.147 0.000 0.982 218 V HN 0.812 nan 8.190 nan 0.000 0.485 219 H N 3.641 122.688 119.070 -0.038 0.000 2.894 219 H HA 0.788 5.344 4.556 -0.000 0.000 0.368 219 H C -0.214 175.122 175.328 0.012 0.000 1.181 219 H CA 0.034 56.066 56.048 -0.026 0.000 1.146 219 H CB 2.173 31.919 29.762 -0.026 0.000 1.839 219 H HN 1.044 nan 8.280 nan 0.000 0.557 220 S N -0.108 115.703 115.700 0.186 0.000 2.843 220 S HA 0.617 5.087 4.470 -0.000 0.000 0.301 220 S C -1.138 173.607 174.600 0.242 0.000 1.206 220 S CA -0.772 57.523 58.200 0.158 0.000 0.875 220 S CB 1.946 65.184 63.200 0.065 0.000 1.248 220 S HN 0.443 nan 8.310 nan 0.000 0.555 221 V N 0.955 120.926 119.914 0.096 0.000 2.891 221 V HA 0.659 4.779 4.120 -0.000 0.000 0.304 221 V C -2.317 173.604 176.094 -0.288 0.000 1.171 221 V CA -0.373 61.868 62.300 -0.097 0.000 0.943 221 V CB 1.966 33.549 31.823 -0.400 0.000 1.037 221 V HN 1.101 nan 8.190 nan 0.000 0.427 222 D N 5.431 125.579 120.400 -0.420 0.000 2.425 222 D HA 0.431 5.071 4.640 -0.000 0.000 0.240 222 D C -1.201 174.777 176.300 -0.536 0.000 1.080 222 D CA -0.170 53.597 54.000 -0.389 0.000 0.836 222 D CB 1.129 41.730 40.800 -0.332 0.000 1.125 222 D HN 0.290 nan 8.370 nan 0.000 0.525 223 F N 2.528 122.336 119.950 -0.237 0.000 2.410 223 F HA 0.298 4.825 4.527 -0.000 0.000 0.349 223 F C 1.852 177.583 175.800 -0.115 0.000 1.117 223 F CA -0.621 57.252 58.000 -0.212 0.000 1.104 223 F CB 1.285 40.045 39.000 -0.400 0.000 1.122 223 F HN 0.489 nan 8.300 nan 0.000 0.483 224 H N 1.865 120.951 119.070 0.027 0.000 2.521 224 H HA -0.045 4.511 4.556 -0.000 0.000 0.286 224 H C 1.935 177.010 175.328 -0.422 0.000 1.034 224 H CA 0.473 56.511 56.048 -0.017 0.000 1.278 224 H CB 0.376 30.270 29.762 0.220 0.000 1.386 224 H HN 0.921 nan 8.280 nan 0.000 0.567 225 G N 0.160 108.594 108.800 -0.610 0.000 2.985 225 G HA2 0.252 4.212 3.960 -0.000 0.000 0.209 225 G HA3 0.252 4.212 3.960 -0.000 0.000 0.209 225 G C 0.401 174.972 174.900 -0.549 0.000 1.165 225 G CA 0.238 44.578 45.100 -1.266 0.000 0.776 225 G HN 0.301 nan 8.290 nan 0.000 0.541 226 A N -0.027 122.535 122.820 -0.430 0.000 2.304 226 A HA 0.687 5.007 4.320 -0.000 0.000 0.301 226 A C -0.057 177.366 177.584 -0.268 0.000 1.132 226 A CA -0.194 51.550 52.037 -0.489 0.000 0.819 226 A CB 0.858 19.286 19.000 -0.952 0.000 1.094 226 A HN 0.048 nan 8.150 nan 0.000 0.492 227 T N 1.252 115.702 114.554 -0.174 0.000 2.772 227 T HA 0.693 5.043 4.350 -0.000 0.000 0.288 227 T C 0.214 174.881 174.700 -0.055 0.000 0.994 227 T CA 0.531 62.578 62.100 -0.089 0.000 0.951 227 T CB 0.929 69.768 68.868 -0.048 0.000 0.933 227 T HN 1.918 nan 8.240 nan 0.000 0.447 228 G N 4.364 113.149 108.800 -0.024 0.000 2.351 228 G HA2 0.231 4.191 3.960 -0.000 0.000 0.353 228 G HA3 0.231 4.191 3.960 -0.000 0.000 0.353 228 G C -3.263 171.681 174.900 0.074 0.000 1.358 228 G CA -1.303 43.820 45.100 0.039 0.000 0.995 228 G HN 0.486 nan 8.290 nan 0.000 0.611 229 P HA 0.345 nan 4.420 nan 0.000 0.260 229 P C 1.123 178.478 177.300 0.092 0.000 1.185 229 P CA 2.007 65.166 63.100 0.099 0.000 0.763 229 P CB 0.542 32.284 31.700 0.069 0.000 0.776 230 G N 3.427 112.249 108.800 0.036 0.000 2.187 230 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.261 230 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.261 230 G C 0.922 175.831 174.900 0.015 0.000 1.000 230 G CA 0.622 45.739 45.100 0.027 0.000 0.718 230 G HN 1.062 nan 8.290 nan 0.000 0.519 231 G N -1.201 107.598 108.800 -0.001 0.000 2.258 231 G HA2 0.274 4.234 3.960 -0.000 0.000 0.274 231 G HA3 0.274 4.234 3.960 -0.000 0.000 0.274 231 G C 1.087 175.940 174.900 -0.078 0.000 1.021 231 G CA 1.411 46.474 45.100 -0.062 0.000 0.798 231 G HN 2.628 nan 8.290 nan 0.000 0.507 232 A N -3.355 119.487 122.820 0.037 0.000 3.648 232 A HA 0.235 4.555 4.320 -0.000 0.000 0.216 232 A C 2.284 179.996 177.584 0.212 0.000 1.021 232 A CA 1.503 53.629 52.037 0.148 0.000 1.818 232 A CB -1.737 17.305 19.000 0.069 0.000 0.808 232 A HN 2.260 nan 8.150 nan 0.000 0.745 233 A N 0.084 122.959 122.820 0.092 0.000 1.972 233 A HA 0.350 4.670 4.320 -0.000 0.000 0.219 233 A C 2.372 179.980 177.584 0.041 0.000 1.169 233 A CA 2.031 54.100 52.037 0.053 0.000 0.635 233 A CB -0.919 18.089 19.000 0.014 0.000 0.810 233 A HN 2.147 nan 8.150 nan 0.000 0.446 234 A N -1.679 121.147 122.820 0.010 0.000 2.125 234 A HA 0.096 4.416 4.320 -0.000 0.000 0.219 234 A C 1.505 178.897 177.584 -0.319 0.000 1.156 234 A CA 1.185 53.104 52.037 -0.197 0.000 0.671 234 A CB -0.602 18.191 19.000 -0.346 0.000 0.794 234 A HN 0.508 nan 8.150 nan 0.000 0.459 235 F N -0.965 118.987 119.950 0.004 0.000 2.678 235 F HA 0.120 4.647 4.527 -0.000 0.000 0.305 235 F C 1.705 177.516 175.800 0.018 0.000 1.090 235 F CA 0.956 58.963 58.000 0.012 0.000 1.272 235 F CB 0.532 39.546 39.000 0.023 0.000 1.060 235 F HN 0.200 nan 8.300 nan 0.000 0.576 236 T N -3.512 111.145 114.554 0.171 0.000 3.200 236 T HA 0.146 4.496 4.350 -0.000 0.000 0.284 236 T C 0.355 175.104 174.700 0.081 0.000 1.009 236 T CA -0.283 61.895 62.100 0.131 0.000 0.907 236 T CB -0.101 68.853 68.868 0.144 0.000 1.120 236 T HN -0.196 nan 8.240 nan 0.000 0.534 237 Q N 2.723 122.547 119.800 0.040 0.000 2.276 237 Q HA 0.258 4.598 4.340 -0.000 0.000 0.267 237 Q C -0.496 175.514 176.000 0.017 0.000 1.135 237 Q CA 0.548 56.356 55.803 0.009 0.000 0.910 237 Q CB 0.339 29.062 28.738 -0.024 0.000 1.271 237 Q HN 0.354 nan 8.270 nan 0.000 0.417 238 T N 2.838 117.410 114.554 0.030 0.000 2.786 238 T HA 0.226 4.576 4.350 -0.000 0.000 0.283 238 T C -0.289 174.421 174.700 0.017 0.000 0.992 238 T CA -0.885 61.240 62.100 0.041 0.000 0.954 238 T CB 1.146 70.064 68.868 0.083 0.000 0.934 238 T HN 0.246 nan 8.240 nan 0.000 0.440 239 D N 3.892 124.294 120.400 0.003 0.000 2.382 239 D HA 0.210 4.850 4.640 -0.000 0.000 0.240 239 D C -2.249 174.053 176.300 0.003 0.000 1.146 239 D CA -1.686 52.307 54.000 -0.013 0.000 0.897 239 D CB 0.456 41.247 40.800 -0.014 0.000 1.197 239 D HN 0.180 nan 8.370 nan 0.000 0.432 240 P HA 0.065 nan 4.420 nan 0.000 0.260 240 P C 0.841 178.140 177.300 -0.001 0.000 1.172 240 P CA 0.807 63.913 63.100 0.010 0.000 0.760 240 P CB 0.435 32.133 31.700 -0.003 0.000 0.773 241 G N 1.362 110.157 108.800 -0.009 0.000 2.175 241 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.244 241 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.244 241 G C 0.172 175.062 174.900 -0.017 0.000 0.982 241 G CA -0.190 44.888 45.100 -0.037 0.000 0.641 241 G HN 0.507 nan 8.290 nan 0.000 0.527 242 E N 0.024 120.227 120.200 0.006 0.000 2.303 242 E HA 0.710 5.060 4.350 -0.000 0.000 0.254 242 E C -0.152 176.470 176.600 0.038 0.000 0.979 242 E CA -0.642 55.768 56.400 0.017 0.000 0.843 242 E CB 1.676 31.386 29.700 0.016 0.000 1.245 242 E HN 0.453 nan 8.360 nan 0.000 0.413 243 E N -0.275 119.951 120.200 0.045 0.000 2.343 243 E HA 0.490 4.840 4.350 -0.000 0.000 0.270 243 E C -1.375 175.258 176.600 0.056 0.000 0.895 243 E CA -0.416 56.023 56.400 0.065 0.000 0.767 243 E CB 2.160 31.909 29.700 0.081 0.000 1.248 243 E HN 0.255 nan 8.360 nan 0.000 0.440 244 T N 1.509 116.099 114.554 0.060 0.000 2.912 244 T HA 0.473 4.823 4.350 -0.000 0.000 0.299 244 T C -1.692 173.010 174.700 0.002 0.000 1.052 244 T CA -0.545 61.583 62.100 0.048 0.000 0.996 244 T CB 1.500 70.413 68.868 0.075 0.000 1.070 244 T HN 0.312 nan 8.240 nan 0.000 0.465 245 V N 3.905 123.793 119.914 -0.045 0.000 2.789 245 V HA 0.965 5.085 4.120 -0.000 0.000 0.311 245 V C -1.409 174.624 176.094 -0.101 0.000 1.073 245 V CA -0.454 61.736 62.300 -0.183 0.000 0.921 245 V CB 1.770 33.300 31.823 -0.488 0.000 1.009 245 V HN 0.710 nan 8.190 nan 0.000 0.426 246 V N 5.003 124.845 119.914 -0.119 0.000 2.808 246 V HA 0.769 4.889 4.120 -0.000 0.000 0.308 246 V C -0.317 175.695 176.094 -0.136 0.000 1.099 246 V CA 0.135 62.374 62.300 -0.102 0.000 0.920 246 V CB 2.693 34.513 31.823 -0.006 0.000 1.014 246 V HN 1.138 nan 8.190 nan 0.000 0.425 247 T N 7.438 121.880 114.554 -0.188 0.000 2.823 247 T HA 0.810 5.160 4.350 -0.000 0.000 0.279 247 T C -0.951 173.654 174.700 -0.158 0.000 0.998 247 T CA -0.116 61.850 62.100 -0.222 0.000 0.994 247 T CB 1.020 69.770 68.868 -0.195 0.000 0.960 247 T HN 0.790 nan 8.240 nan 0.000 0.448 248 F N -0.345 119.460 119.950 -0.241 0.000 2.619 248 F HA 0.697 5.224 4.527 -0.000 0.000 0.308 248 F C -0.824 174.857 175.800 -0.198 0.000 1.097 248 F CA -1.457 56.403 58.000 -0.232 0.000 0.953 248 F CB 1.281 40.135 39.000 -0.244 0.000 1.287 248 F HN 0.179 nan 8.300 nan 0.000 0.446 249 K N 1.805 122.228 120.400 0.037 0.000 2.174 249 K HA 0.677 4.997 4.320 -0.000 0.000 0.275 249 K C -0.547 176.101 176.600 0.080 0.000 1.015 249 K CA -0.688 55.586 56.287 -0.021 0.000 0.933 249 K CB 1.675 34.159 32.500 -0.026 0.000 1.025 249 K HN 0.850 nan 8.250 nan 0.000 0.463 250 A N 4.514 127.332 122.820 -0.004 0.000 2.478 250 A HA 0.228 4.548 4.320 -0.000 0.000 0.327 250 A C 0.705 178.291 177.584 0.003 0.000 1.431 250 A CA -0.438 51.608 52.037 0.015 0.000 1.014 250 A CB -0.351 18.636 19.000 -0.023 0.000 1.143 250 A HN 0.793 nan 8.150 nan 0.000 0.532 251 L N 2.212 123.439 121.223 0.007 0.000 2.477 251 L HA 0.301 4.640 4.340 -0.000 0.000 0.220 251 L C -0.068 176.824 176.870 0.037 0.000 1.106 251 L CA 0.785 55.633 54.840 0.013 0.000 0.851 251 L CB -0.130 41.933 42.059 0.006 0.000 0.994 251 L HN 0.574 nan 8.230 nan 0.000 0.462 252 I N 0.002 120.611 120.570 0.066 0.000 2.534 252 I HA 0.320 4.490 4.170 -0.000 0.000 0.288 252 I C -2.509 173.738 176.117 0.217 0.000 1.077 252 I CA -2.001 59.375 61.300 0.127 0.000 1.051 252 I CB 2.372 40.460 38.000 0.147 0.000 1.234 252 I HN -0.270 nan 8.210 nan 0.000 0.425 253 P HA 0.421 nan 4.420 nan 0.000 0.272 253 P C -0.065 177.316 177.300 0.134 0.000 1.223 253 P CA 0.041 63.229 63.100 0.147 0.000 0.784 253 P CB 0.905 32.652 31.700 0.078 0.000 0.923 254 G N 0.484 109.284 108.800 0.001 0.000 2.321 254 G HA2 0.354 4.314 3.960 -0.000 0.000 0.298 254 G HA3 0.354 4.314 3.960 -0.000 0.000 0.298 254 G C -2.166 172.441 174.900 -0.489 0.000 1.385 254 G CA -0.556 44.316 45.100 -0.379 0.000 0.856 254 G HN 0.530 nan 8.290 nan 0.000 0.584 255 I N 0.870 121.130 120.570 -0.517 0.000 2.354 255 I HA 0.718 4.888 4.170 -0.000 0.000 0.286 255 I C -1.322 174.586 176.117 -0.348 0.000 1.007 255 I CA -1.513 59.614 61.300 -0.288 0.000 1.167 255 I CB 0.199 38.195 38.000 -0.007 0.000 1.320 255 I HN 0.423 nan 8.210 nan 0.000 0.458 256 Y N 5.704 126.010 120.300 0.011 0.000 2.409 256 Y HA 0.550 5.100 4.550 -0.000 0.000 0.339 256 Y C 0.139 176.040 175.900 0.002 0.000 1.033 256 Y CA -0.928 57.210 58.100 0.063 0.000 1.094 256 Y CB 1.830 40.355 38.460 0.108 0.000 1.210 256 Y HN 0.430 nan 8.280 nan 0.000 0.456 257 V N 4.940 124.906 119.914 0.088 0.000 2.881 257 V HA 0.420 4.540 4.120 -0.000 0.000 0.303 257 V C -1.218 174.762 176.094 -0.190 0.000 1.070 257 V CA -0.346 61.880 62.300 -0.122 0.000 1.074 257 V CB 0.532 32.259 31.823 -0.160 0.000 1.012 257 V HN 0.703 nan 8.190 nan 0.000 0.482 258 Y N 3.768 123.966 120.300 -0.171 0.000 2.576 258 Y HA 0.948 5.498 4.550 -0.000 0.000 0.346 258 Y C -0.637 175.173 175.900 -0.151 0.000 1.018 258 Y CA -0.858 57.036 58.100 -0.343 0.000 1.050 258 Y CB 1.390 39.589 38.460 -0.435 0.000 1.280 258 Y HN 1.064 nan 8.280 nan 0.000 0.474 259 H N -0.776 118.338 119.070 0.074 0.000 3.003 259 H HA 0.448 5.004 4.556 -0.000 0.000 0.327 259 H C -1.366 174.189 175.328 0.377 0.000 1.353 259 H CA -1.568 54.644 56.048 0.273 0.000 1.142 259 H CB 0.585 30.460 29.762 0.188 0.000 1.864 259 H HN 1.128 nan 8.280 nan 0.000 0.529 260 C N 1.214 120.915 119.300 0.669 0.000 2.657 260 C HA 0.588 5.048 4.460 -0.000 0.000 0.420 260 C C 1.336 176.551 174.990 0.374 0.000 1.323 260 C CA 0.690 59.985 59.018 0.461 0.000 1.894 260 C CB -1.290 26.663 27.740 0.355 0.000 2.681 260 C HN 0.911 nan 8.230 nan 0.000 0.613 261 A N 4.585 127.510 122.820 0.175 0.000 2.705 261 A HA 0.405 4.725 4.320 -0.000 0.000 0.294 261 A C 0.367 177.945 177.584 -0.011 0.000 1.039 261 A CA -0.125 51.990 52.037 0.129 0.000 1.005 261 A CB -0.066 18.988 19.000 0.089 0.000 1.192 261 A HN 0.861 nan 8.150 nan 0.000 0.513 262 T N 2.933 117.374 114.554 -0.188 0.000 2.767 262 T HA 0.443 4.793 4.350 -0.000 0.000 0.288 262 T C -2.802 171.748 174.700 -0.249 0.000 0.963 262 T CA -1.063 60.849 62.100 -0.314 0.000 1.019 262 T CB 1.190 69.730 68.868 -0.547 0.000 0.923 262 T HN 0.114 nan 8.240 nan 0.000 0.468 263 P HA 0.062 nan 4.420 nan 0.000 0.265 263 P C -0.296 177.096 177.300 0.153 0.000 1.193 263 P CA -0.122 63.007 63.100 0.048 0.000 0.765 263 P CB 0.398 32.116 31.700 0.031 0.000 0.823 264 S N 2.988 118.851 115.700 0.271 0.000 2.455 264 S HA 0.069 4.539 4.470 -0.000 0.000 0.278 264 S C 1.415 176.195 174.600 0.300 0.000 1.216 264 S CA -0.582 57.757 58.200 0.232 0.000 1.055 264 S CB -0.318 63.011 63.200 0.215 0.000 0.939 264 S HN 0.149 nan 8.310 nan 0.000 0.494 265 V N 7.953 127.974 119.914 0.178 0.000 2.287 265 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 265 V C -0.514 175.687 176.094 0.179 0.000 1.053 265 V CA 1.694 64.101 62.300 0.179 0.000 1.027 265 V CB -1.538 30.357 31.823 0.120 0.000 0.646 265 V HN 0.730 nan 8.190 nan 0.000 0.447 266 P HA -0.119 nan 4.420 nan 0.000 0.219 266 P C 1.654 178.994 177.300 0.067 0.000 1.146 266 P CA 1.530 64.656 63.100 0.043 0.000 0.808 266 P CB -0.248 31.435 31.700 -0.028 0.000 0.779 267 T N -0.911 113.709 114.554 0.111 0.000 2.737 267 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 267 T C 1.749 176.470 174.700 0.035 0.000 1.038 267 T CA 1.202 63.332 62.100 0.050 0.000 1.144 267 T CB -0.965 67.955 68.868 0.087 0.000 0.866 267 T HN 0.326 nan 8.240 nan 0.000 0.434 268 H N 0.398 119.605 119.070 0.229 0.000 2.387 268 H HA 0.035 4.591 4.556 -0.000 0.000 0.299 268 H C 2.354 177.838 175.328 0.258 0.000 1.090 268 H CA 1.179 57.461 56.048 0.390 0.000 1.332 268 H CB -0.174 29.854 29.762 0.444 0.000 1.386 268 H HN 0.324 nan 8.280 nan 0.000 0.516 269 I N 0.044 120.806 120.570 0.320 0.000 2.163 269 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 269 I C 2.866 179.166 176.117 0.305 0.000 1.081 269 I CA 1.343 62.832 61.300 0.315 0.000 1.353 269 I CB -0.288 37.807 38.000 0.157 0.000 1.054 269 I HN 0.179 nan 8.210 nan 0.000 0.407 270 T N 0.479 115.134 114.554 0.168 0.000 2.759 270 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 270 T C 1.459 176.212 174.700 0.088 0.000 1.042 270 T CA 2.093 64.284 62.100 0.151 0.000 1.140 270 T CB -0.598 68.367 68.868 0.160 0.000 0.864 270 T HN 0.406 nan 8.240 nan 0.000 0.455 271 N N -0.382 118.299 118.700 -0.032 0.000 2.512 271 N HA 0.156 4.896 4.740 -0.000 0.000 0.183 271 N C 1.207 176.740 175.510 0.040 0.000 1.073 271 N CA 0.518 53.477 53.050 -0.152 0.000 0.911 271 N CB 0.074 38.124 38.487 -0.729 0.000 0.964 271 N HN 0.559 nan 8.380 nan 0.000 0.447 272 G N -0.061 108.805 108.800 0.111 0.000 2.370 272 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.174 272 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.174 272 G C 0.099 174.829 174.900 -0.285 0.000 1.002 272 G CA -0.588 44.473 45.100 -0.065 0.000 0.730 272 G HN 0.087 nan 8.290 nan 0.000 0.497 273 M N 1.825 121.433 119.600 0.014 0.000 3.422 273 M HA 0.483 4.963 4.480 -0.000 0.000 0.248 273 M C -0.234 176.317 176.300 0.420 0.000 1.433 273 M CA -0.163 55.162 55.300 0.041 0.000 1.592 273 M CB -0.740 31.817 32.600 -0.071 0.000 1.078 273 M HN 0.400 nan 8.290 nan 0.000 0.578 274 Y N -1.621 118.857 120.300 0.296 0.000 2.571 274 Y HA 0.974 5.524 4.550 -0.000 0.000 0.341 274 Y C -0.243 175.542 175.900 -0.192 0.000 1.076 274 Y CA -1.319 56.826 58.100 0.075 0.000 1.029 274 Y CB 1.217 39.696 38.460 0.031 0.000 1.308 274 Y HN 0.311 nan 8.280 nan 0.000 0.461 275 G N 0.973 109.450 108.800 -0.539 0.000 2.606 275 G HA2 0.593 4.553 3.960 -0.000 0.000 0.300 275 G HA3 0.593 4.553 3.960 -0.000 0.000 0.300 275 G C -2.422 172.164 174.900 -0.523 0.000 1.360 275 G CA -1.229 43.488 45.100 -0.639 0.000 0.783 275 G HN 0.739 nan 8.290 nan 0.000 0.484 276 L N 0.330 121.481 121.223 -0.120 0.000 2.342 276 L HA 0.680 5.020 4.340 -0.000 0.000 0.271 276 L C -0.751 175.955 176.870 -0.273 0.000 1.008 276 L CA -0.995 53.736 54.840 -0.182 0.000 0.818 276 L CB 2.211 44.108 42.059 -0.270 0.000 1.296 276 L HN 0.370 nan 8.230 nan 0.000 0.427 277 L N 4.396 125.517 121.223 -0.171 0.000 2.372 277 L HA 0.456 4.795 4.340 -0.000 0.000 0.273 277 L C -1.487 175.239 176.870 -0.240 0.000 0.989 277 L CA -0.727 54.002 54.840 -0.184 0.000 0.841 277 L CB 1.873 44.014 42.059 0.137 0.000 1.225 277 L HN 0.463 nan 8.230 nan 0.000 0.414 278 L N 6.401 127.347 121.223 -0.462 0.000 2.275 278 L HA 0.430 4.770 4.340 -0.000 0.000 0.288 278 L C -0.839 175.997 176.870 -0.057 0.000 1.046 278 L CA -0.029 54.665 54.840 -0.243 0.000 0.805 278 L CB 1.606 43.507 42.059 -0.264 0.000 1.193 278 L HN 0.367 nan 8.230 nan 0.000 0.426 279 V N 5.620 125.573 119.914 0.065 0.000 2.294 279 V HA 0.320 4.440 4.120 -0.000 0.000 0.272 279 V C 0.320 176.449 176.094 0.057 0.000 1.027 279 V CA -0.739 61.613 62.300 0.087 0.000 0.823 279 V CB 0.503 32.443 31.823 0.196 0.000 1.030 279 V HN 0.751 nan 8.190 nan 0.000 0.457 280 E N 6.768 126.984 120.200 0.027 0.000 2.413 280 E HA 0.142 4.492 4.350 -0.000 0.000 0.263 280 E C -2.161 174.456 176.600 0.028 0.000 1.015 280 E CA -1.301 55.114 56.400 0.025 0.000 0.916 280 E CB 0.738 30.448 29.700 0.017 0.000 0.947 280 E HN 0.433 nan 8.360 nan 0.000 0.440 281 P HA -0.026 nan 4.420 nan 0.000 0.272 281 P C 0.299 177.611 177.300 0.020 0.000 1.240 281 P CA 0.056 63.173 63.100 0.029 0.000 0.791 281 P CB 0.795 32.515 31.700 0.033 0.000 0.978 282 E N 1.558 121.769 120.200 0.018 0.000 2.086 282 E HA -0.212 4.138 4.350 -0.000 0.000 0.205 282 E C 2.066 178.671 176.600 0.009 0.000 1.027 282 E CA 2.536 58.942 56.400 0.010 0.000 0.830 282 E CB -1.032 28.675 29.700 0.011 0.000 0.751 282 E HN 0.730 nan 8.360 nan 0.000 0.456 283 G N -1.153 107.654 108.800 0.012 0.000 2.920 283 G HA2 0.312 4.272 3.960 -0.000 0.000 0.208 283 G HA3 0.312 4.272 3.960 -0.000 0.000 0.208 283 G C 0.517 175.422 174.900 0.009 0.000 1.159 283 G CA 0.291 45.397 45.100 0.010 0.000 0.784 283 G HN 0.610 nan 8.290 nan 0.000 0.535 284 G N -0.785 108.022 108.800 0.011 0.000 2.781 284 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.683 284 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.683 284 G C -0.160 174.748 174.900 0.014 0.000 1.390 284 G CA -0.556 44.551 45.100 0.013 0.000 0.850 284 G HN 0.490 nan 8.290 nan 0.000 0.557 285 L N 1.206 122.436 121.223 0.012 0.000 2.453 285 L HA 0.380 4.720 4.340 -0.000 0.000 0.261 285 L C -1.299 175.572 176.870 0.001 0.000 1.179 285 L CA -1.624 53.213 54.840 -0.005 0.000 0.813 285 L CB 0.288 42.331 42.059 -0.027 0.000 1.110 285 L HN 0.433 nan 8.230 nan 0.000 0.466 286 P HA -0.039 nan 4.420 nan 0.000 0.264 286 P C -0.908 176.386 177.300 -0.010 0.000 1.179 286 P CA 0.096 63.196 63.100 0.000 0.000 0.763 286 P CB 0.274 31.974 31.700 0.000 0.000 0.806 287 Q N 0.882 120.676 119.800 -0.010 0.000 2.352 287 Q HA 0.361 4.701 4.340 -0.000 0.000 0.260 287 Q C -0.307 175.677 176.000 -0.026 0.000 0.976 287 Q CA -0.007 55.786 55.803 -0.018 0.000 0.881 287 Q CB 1.254 29.983 28.738 -0.014 0.000 1.235 287 Q HN 0.220 nan 8.270 nan 0.000 0.419 288 V N 1.499 121.387 119.914 -0.043 0.000 3.114 288 V HA 0.067 4.187 4.120 -0.000 0.000 0.308 288 V C 0.053 176.104 176.094 -0.072 0.000 1.168 288 V CA -0.531 61.733 62.300 -0.061 0.000 1.015 288 V CB 2.402 34.172 31.823 -0.087 0.000 1.050 288 V HN 0.777 nan 8.190 nan 0.000 0.433 289 D N 1.383 121.736 120.400 -0.078 0.000 2.183 289 D HA 0.045 4.685 4.640 -0.000 0.000 0.203 289 D C 0.736 176.965 176.300 -0.118 0.000 0.969 289 D CA 1.069 55.023 54.000 -0.077 0.000 0.842 289 D CB 0.486 41.253 40.800 -0.055 0.000 0.957 289 D HN 0.290 nan 8.370 nan 0.000 0.484 290 R N -0.232 120.162 120.500 -0.176 0.000 2.604 290 R HA 0.272 4.612 4.340 -0.000 0.000 0.270 290 R C -1.408 174.637 176.300 -0.425 0.000 1.052 290 R CA -0.440 55.470 56.100 -0.317 0.000 0.902 290 R CB 2.261 32.370 30.300 -0.318 0.000 1.233 290 R HN -0.183 nan 8.270 nan 0.000 0.455 291 E N 2.599 122.465 120.200 -0.555 0.000 2.288 291 E HA 0.440 4.790 4.350 -0.000 0.000 0.268 291 E C -1.283 174.966 176.600 -0.585 0.000 0.885 291 E CA -0.617 55.540 56.400 -0.406 0.000 0.767 291 E CB 2.220 31.848 29.700 -0.119 0.000 1.220 291 E HN 0.220 nan 8.360 nan 0.000 0.427 292 F N 0.987 120.980 119.950 0.071 0.000 2.593 292 F HA 0.393 4.920 4.527 0.000 0.000 0.320 292 F C -0.889 175.089 175.800 0.296 0.000 1.060 292 F CA -1.083 57.003 58.000 0.142 0.000 0.940 292 F CB 1.488 40.560 39.000 0.120 0.000 1.268 292 F HN 0.382 nan 8.300 nan 0.000 0.475 293 Y N 2.377 122.870 120.300 0.322 0.000 2.338 293 Y HA 0.742 5.292 4.550 -0.000 0.000 0.328 293 Y C -1.625 174.427 175.900 0.253 0.000 0.965 293 Y CA -1.851 56.420 58.100 0.285 0.000 1.208 293 Y CB 1.029 39.597 38.460 0.180 0.000 1.132 293 Y HN 0.320 nan 8.280 nan 0.000 0.469 294 V N 7.767 127.870 119.914 0.314 0.000 2.686 294 V HA 0.567 4.687 4.120 -0.000 0.000 0.306 294 V C -0.464 175.662 176.094 0.053 0.000 1.065 294 V CA -0.827 61.542 62.300 0.114 0.000 0.894 294 V CB 1.948 33.848 31.823 0.128 0.000 1.004 294 V HN 0.817 nan 8.190 nan 0.000 0.424 295 M N 3.559 123.176 119.600 0.027 0.000 2.518 295 M HA 0.538 5.018 4.480 -0.000 0.000 0.300 295 M C -0.915 175.514 176.300 0.216 0.000 1.175 295 M CA -0.497 54.790 55.300 -0.022 0.000 0.890 295 M CB 2.762 35.407 32.600 0.075 0.000 1.710 295 M HN 0.740 nan 8.290 nan 0.000 0.453 296 Q N 0.876 120.729 119.800 0.087 0.000 2.282 296 Q HA 0.775 5.115 4.340 -0.000 0.000 0.260 296 Q C -1.015 174.971 176.000 -0.022 0.000 0.964 296 Q CA -0.497 55.439 55.803 0.222 0.000 0.880 296 Q CB 2.169 31.125 28.738 0.363 0.000 1.286 296 Q HN 0.913 nan 8.270 nan 0.000 0.445 297 G N 2.360 111.181 108.800 0.034 0.000 2.708 297 G HA2 0.531 4.491 3.960 -0.000 0.000 0.289 297 G HA3 0.531 4.491 3.960 -0.000 0.000 0.289 297 G C -1.617 173.235 174.900 -0.080 0.000 1.416 297 G CA -0.699 44.353 45.100 -0.080 0.000 0.829 297 G HN 0.614 nan 8.290 nan 0.000 0.480 298 E N -0.861 119.234 120.200 -0.175 0.000 2.277 298 E HA 0.698 5.048 4.350 -0.000 0.000 0.266 298 E C -0.773 175.591 176.600 -0.393 0.000 0.901 298 E CA -0.535 55.571 56.400 -0.490 0.000 0.782 298 E CB 2.959 32.218 29.700 -0.735 0.000 1.228 298 E HN 0.355 nan 8.360 nan 0.000 0.424 299 I N 1.814 122.045 120.570 -0.566 0.000 2.608 299 I HA 0.327 4.497 4.170 -0.000 0.000 0.295 299 I C -1.296 174.509 176.117 -0.521 0.000 1.049 299 I CA -0.947 60.073 61.300 -0.467 0.000 1.063 299 I CB 1.417 39.038 38.000 -0.632 0.000 1.248 299 I HN 0.526 nan 8.210 nan 0.000 0.424 300 Y N 3.245 123.435 120.300 -0.182 0.000 2.686 300 Y HA 0.305 4.855 4.550 -0.000 0.000 0.331 300 Y C 0.496 176.387 175.900 -0.015 0.000 0.996 300 Y CA -0.852 57.197 58.100 -0.085 0.000 1.293 300 Y CB 1.354 39.766 38.460 -0.080 0.000 1.092 300 Y HN 0.434 nan 8.280 nan 0.000 0.524 301 T N -2.628 112.000 114.554 0.123 0.000 2.943 301 T HA 0.357 4.707 4.350 -0.000 0.000 0.284 301 T C 1.086 175.867 174.700 0.135 0.000 1.015 301 T CA -0.743 61.444 62.100 0.146 0.000 1.042 301 T CB 1.821 70.795 68.868 0.177 0.000 1.055 301 T HN 0.241 nan 8.240 nan 0.000 0.500 302 V N 0.867 120.853 119.914 0.120 0.000 2.343 302 V HA -0.054 4.066 4.120 -0.000 0.000 0.247 302 V C 1.416 177.563 176.094 0.087 0.000 1.051 302 V CA 1.484 63.841 62.300 0.095 0.000 1.036 302 V CB -0.730 31.140 31.823 0.078 0.000 0.654 302 V HN 0.797 nan 8.190 nan 0.000 0.451 303 K N 0.284 120.741 120.400 0.094 0.000 2.098 303 K HA 0.350 4.670 4.320 -0.000 0.000 0.257 303 K C 0.278 176.928 176.600 0.084 0.000 0.999 303 K CA -0.266 56.069 56.287 0.081 0.000 0.924 303 K CB 0.992 33.536 32.500 0.073 0.000 1.028 303 K HN 0.198 nan 8.250 nan 0.000 0.466 304 S N 1.270 117.001 115.700 0.053 0.000 2.579 304 S HA 0.004 4.474 4.470 -0.000 0.000 0.275 304 S C -0.001 174.584 174.600 -0.026 0.000 1.345 304 S CA -0.582 57.638 58.200 0.033 0.000 1.031 304 S CB 0.056 63.270 63.200 0.023 0.000 0.892 304 S HN 0.465 nan 8.310 nan 0.000 0.529 305 F N 2.011 121.801 119.950 -0.268 0.000 2.604 305 F HA 0.250 4.777 4.527 -0.000 0.000 0.390 305 F C 1.425 177.040 175.800 -0.309 0.000 1.053 305 F CA 1.624 59.270 58.000 -0.589 0.000 1.256 305 F CB -0.264 38.346 39.000 -0.649 0.000 0.996 305 F HN 0.822 nan 8.300 nan 0.000 0.564 306 G N 2.872 110.981 108.800 -1.153 0.000 2.194 306 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.236 306 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.236 306 G C 0.260 174.950 174.900 -0.350 0.000 0.987 306 G CA 0.037 44.621 45.100 -0.861 0.000 0.635 306 G HN 0.873 nan 8.290 nan 0.000 0.520 307 T N 2.181 116.616 114.554 -0.198 0.000 2.832 307 T HA 0.562 4.912 4.350 -0.000 0.000 0.296 307 T C 0.880 175.557 174.700 -0.039 0.000 0.968 307 T CA 0.506 62.562 62.100 -0.073 0.000 1.107 307 T CB 1.475 70.337 68.868 -0.011 0.000 0.916 307 T HN 1.078 nan 8.240 nan 0.000 0.517 308 S N 2.509 118.192 115.700 -0.028 0.000 2.681 308 S HA 0.859 5.329 4.470 -0.000 0.000 0.270 308 S C 0.666 175.269 174.600 0.005 0.000 1.209 308 S CA 0.068 58.257 58.200 -0.018 0.000 0.988 308 S CB 0.871 64.060 63.200 -0.018 0.000 1.006 308 S HN 1.441 nan 8.310 nan 0.000 0.558 309 G N 0.288 109.092 108.800 0.006 0.000 2.447 309 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.220 309 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.220 309 G C -1.345 173.566 174.900 0.018 0.000 1.261 309 G CA -0.733 44.375 45.100 0.013 0.000 1.000 309 G HN 0.864 nan 8.290 nan 0.000 0.515 310 E N 1.349 121.561 120.200 0.019 0.000 2.180 310 E HA 0.312 4.662 4.350 -0.000 0.000 0.283 310 E C -0.028 176.591 176.600 0.032 0.000 1.061 310 E CA -0.304 56.108 56.400 0.020 0.000 0.861 310 E CB 0.834 30.539 29.700 0.008 0.000 1.056 310 E HN 0.345 nan 8.360 nan 0.000 0.407 311 Q N 2.306 122.140 119.800 0.058 0.000 2.230 311 Q HA 0.327 4.667 4.340 -0.000 0.000 0.248 311 Q C -0.229 175.836 176.000 0.109 0.000 0.915 311 Q CA -0.082 55.786 55.803 0.108 0.000 0.900 311 Q CB 1.707 30.525 28.738 0.133 0.000 1.229 311 Q HN 0.504 nan 8.270 nan 0.000 0.439 312 E N 0.886 121.152 120.200 0.111 0.000 2.312 312 E HA 0.406 4.756 4.350 -0.000 0.000 0.267 312 E C -0.660 176.028 176.600 0.147 0.000 0.894 312 E CA -0.797 55.632 56.400 0.049 0.000 0.773 312 E CB 2.524 32.232 29.700 0.015 0.000 1.241 312 E HN 0.428 nan 8.360 nan 0.000 0.432 313 M N 2.079 121.739 119.600 0.100 0.000 2.238 313 M HA 0.058 4.538 4.480 -0.000 0.000 0.347 313 M C -0.706 175.661 176.300 0.112 0.000 1.173 313 M CA 0.253 55.642 55.300 0.148 0.000 1.147 313 M CB 0.578 33.208 32.600 0.049 0.000 1.547 313 M HN 0.376 nan 8.290 nan 0.000 0.455 314 D N 3.577 124.056 120.400 0.132 0.000 2.414 314 D HA 0.055 4.695 4.640 -0.000 0.000 0.232 314 D C 0.004 176.361 176.300 0.095 0.000 1.070 314 D CA -0.246 53.824 54.000 0.116 0.000 0.839 314 D CB 0.739 41.605 40.800 0.111 0.000 1.079 314 D HN 0.693 nan 8.370 nan 0.000 0.521 315 Y N 4.297 124.589 120.300 -0.012 0.000 2.181 315 Y HA -0.169 4.381 4.550 -0.000 0.000 0.288 315 Y C 1.858 177.722 175.900 -0.060 0.000 1.146 315 Y CA 1.825 59.895 58.100 -0.049 0.000 1.164 315 Y CB 0.272 38.712 38.460 -0.033 0.000 0.982 315 Y HN 0.452 nan 8.280 nan 0.000 0.515 316 E N 1.024 121.172 120.200 -0.088 0.000 2.085 316 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 316 E C 1.902 178.394 176.600 -0.181 0.000 0.994 316 E CA 1.701 58.007 56.400 -0.158 0.000 0.801 316 E CB -0.122 29.583 29.700 0.008 0.000 0.743 316 E HN 0.585 nan 8.360 nan 0.000 0.453 317 K N 0.462 120.812 120.400 -0.083 0.000 2.057 317 K HA -0.046 4.274 4.320 -0.000 0.000 0.206 317 K C 2.413 178.903 176.600 -0.183 0.000 1.050 317 K CA 0.769 57.055 56.287 -0.001 0.000 0.935 317 K CB -0.200 32.394 32.500 0.157 0.000 0.715 317 K HN 0.152 nan 8.250 nan 0.000 0.439 318 L N 1.586 122.516 121.223 -0.489 0.000 1.971 318 L HA -0.216 4.124 4.340 -0.000 0.000 0.215 318 L C 2.341 178.786 176.870 -0.708 0.000 1.072 318 L CA 1.865 56.066 54.840 -1.066 0.000 0.758 318 L CB -0.341 41.301 42.059 -0.695 0.000 0.889 318 L HN 0.232 nan 8.230 nan 0.000 0.433 319 I N -3.187 117.015 120.570 -0.614 0.000 2.761 319 I HA -0.126 4.044 4.170 -0.000 0.000 0.261 319 I C 1.333 177.270 176.117 -0.300 0.000 1.198 319 I CA 1.045 62.059 61.300 -0.477 0.000 1.482 319 I CB -0.447 37.205 38.000 -0.581 0.000 1.100 319 I HN 0.190 nan 8.210 nan 0.000 0.445 320 N N 1.578 120.130 118.700 -0.248 0.000 2.268 320 N HA 0.050 4.790 4.740 -0.000 0.000 0.204 320 N C -0.424 175.064 175.510 -0.035 0.000 1.124 320 N CA 0.179 53.159 53.050 -0.117 0.000 0.838 320 N CB -0.070 38.370 38.487 -0.078 0.000 0.994 320 N HN 0.455 nan 8.380 nan 0.000 0.489 321 E N 0.266 120.445 120.200 -0.035 0.000 2.287 321 E HA -0.203 4.147 4.350 -0.000 0.000 0.229 321 E C -0.828 176.010 176.600 0.397 0.000 1.194 321 E CA 0.532 57.048 56.400 0.194 0.000 0.704 321 E CB -1.525 28.180 29.700 0.008 0.000 1.216 321 E HN 0.322 nan 8.360 nan 0.000 0.381 322 K N 0.678 121.305 120.400 0.378 0.000 2.606 322 K HA 0.251 4.571 4.320 -0.000 0.000 0.196 322 K C -2.521 174.167 176.600 0.146 0.000 1.048 322 K CA -1.672 54.753 56.287 0.230 0.000 1.017 322 K CB 1.205 33.783 32.500 0.131 0.000 1.413 322 K HN 0.010 nan 8.250 nan 0.000 0.568 323 P HA 0.092 nan 4.420 nan 0.000 0.274 323 P C -0.008 176.933 177.300 -0.599 0.000 1.231 323 P CA -0.171 62.389 63.100 -0.900 0.000 0.790 323 P CB 1.228 32.027 31.700 -1.502 0.000 0.951 324 E N 0.341 120.250 120.200 -0.485 0.000 2.244 324 E HA 0.063 4.413 4.350 -0.000 0.000 0.196 324 E C -0.115 176.336 176.600 -0.249 0.000 0.939 324 E CA 0.937 57.208 56.400 -0.215 0.000 0.884 324 E CB 0.058 29.739 29.700 -0.031 0.000 0.850 324 E HN 0.508 nan 8.360 nan 0.000 0.481 325 Y N -0.543 119.570 120.300 -0.311 0.000 2.409 325 Y HA 0.409 4.959 4.550 -0.000 0.000 0.343 325 Y C -0.539 175.069 175.900 -0.487 0.000 0.973 325 Y CA -0.810 57.174 58.100 -0.193 0.000 1.064 325 Y CB 1.248 39.638 38.460 -0.118 0.000 1.207 325 Y HN -0.239 nan 8.280 nan 0.000 0.452 326 F N 3.876 123.719 119.950 -0.178 0.000 2.507 326 F HA 0.619 5.146 4.527 -0.000 0.000 0.325 326 F C -1.124 174.556 175.800 -0.199 0.000 1.116 326 F CA -0.841 57.009 58.000 -0.250 0.000 0.930 326 F CB 1.355 40.143 39.000 -0.352 0.000 1.146 326 F HN 0.127 nan 8.300 nan 0.000 0.447 327 L N 3.881 125.105 121.223 0.002 0.000 2.431 327 L HA 0.486 4.826 4.340 -0.000 0.000 0.266 327 L C -1.069 175.821 176.870 0.033 0.000 0.978 327 L CA -1.082 53.761 54.840 0.005 0.000 0.822 327 L CB 1.594 43.707 42.059 0.090 0.000 1.310 327 L HN 0.301 nan 8.230 nan 0.000 0.409 328 F N 2.921 122.959 119.950 0.147 0.000 2.410 328 F HA 0.361 4.888 4.527 0.000 0.000 0.349 328 F C 0.908 176.781 175.800 0.121 0.000 1.117 328 F CA -0.783 57.311 58.000 0.157 0.000 1.104 328 F CB 0.496 39.587 39.000 0.152 0.000 1.122 328 F HN 0.551 nan 8.300 nan 0.000 0.483 329 N N 2.261 121.149 118.700 0.314 0.000 2.714 329 N HA -0.189 4.551 4.740 -0.000 0.000 0.252 329 N C 0.947 176.538 175.510 0.134 0.000 1.014 329 N CA 1.335 54.483 53.050 0.163 0.000 0.735 329 N CB -1.146 37.421 38.487 0.133 0.000 0.924 329 N HN 1.065 nan 8.380 nan 0.000 0.540 330 G N -2.980 105.908 108.800 0.146 0.000 2.284 330 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.230 330 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.230 330 G C 0.105 175.071 174.900 0.111 0.000 1.021 330 G CA 0.516 45.673 45.100 0.094 0.000 0.619 330 G HN 1.079 nan 8.290 nan 0.000 0.510 331 S N -1.684 114.070 115.700 0.091 0.000 2.588 331 S HA 0.570 5.040 4.470 -0.000 0.000 0.269 331 S C -0.367 174.272 174.600 0.065 0.000 1.157 331 S CA 0.139 58.377 58.200 0.063 0.000 0.824 331 S CB 1.753 64.950 63.200 -0.007 0.000 1.126 331 S HN 1.076 nan 8.310 nan 0.000 0.464 332 V N 2.976 122.934 119.914 0.073 0.000 2.529 332 V HA 0.451 4.571 4.120 -0.000 0.000 0.292 332 V C 1.607 177.702 176.094 0.002 0.000 1.028 332 V CA 1.443 63.795 62.300 0.088 0.000 1.074 332 V CB 0.135 32.060 31.823 0.170 0.000 0.958 332 V HN 1.530 nan 8.190 nan 0.000 0.481 333 G N 3.901 112.682 108.800 -0.033 0.000 2.159 333 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.256 333 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.256 333 G C 1.214 176.040 174.900 -0.124 0.000 0.977 333 G CA 0.878 45.917 45.100 -0.102 0.000 0.652 333 G HN 0.918 nan 8.290 nan 0.000 0.531 334 S N -0.600 115.057 115.700 -0.072 0.000 2.359 334 S HA -0.020 4.450 4.470 -0.000 0.000 0.223 334 S C 2.071 176.600 174.600 -0.118 0.000 1.039 334 S CA 1.710 59.852 58.200 -0.095 0.000 1.042 334 S CB -0.194 63.048 63.200 0.069 0.000 0.915 334 S HN 0.678 nan 8.310 nan 0.000 0.439 335 L N 0.961 122.180 121.223 -0.006 0.000 2.700 335 L HA 0.210 4.550 4.340 -0.000 0.000 0.234 335 L C 1.917 178.692 176.870 -0.157 0.000 1.156 335 L CA 0.544 55.386 54.840 0.003 0.000 0.946 335 L CB -0.105 41.993 42.059 0.065 0.000 1.216 335 L HN 0.515 nan 8.230 nan 0.000 0.493 336 T N -3.853 110.542 114.554 -0.265 0.000 3.111 336 T HA 0.085 4.435 4.350 -0.000 0.000 0.236 336 T C 1.950 176.614 174.700 -0.059 0.000 0.984 336 T CA -0.052 61.795 62.100 -0.421 0.000 1.195 336 T CB 0.195 68.618 68.868 -0.742 0.000 0.929 336 T HN 0.095 nan 8.240 nan 0.000 0.431 337 R N 0.641 121.091 120.500 -0.083 0.000 2.167 337 R HA 0.373 4.713 4.340 -0.000 0.000 0.201 337 R C 2.798 179.063 176.300 -0.058 0.000 1.024 337 R CA 0.767 56.855 56.100 -0.020 0.000 1.053 337 R CB 0.048 30.312 30.300 -0.060 0.000 0.987 337 R HN 0.278 nan 8.270 nan 0.000 0.493 338 S N 0.253 115.841 115.700 -0.187 0.000 2.336 338 S HA -0.036 4.434 4.470 -0.000 0.000 0.216 338 S C 0.468 174.893 174.600 -0.293 0.000 1.032 338 S CA 0.806 58.813 58.200 -0.321 0.000 0.973 338 S CB -0.022 62.842 63.200 -0.560 0.000 0.888 338 S HN 0.500 nan 8.310 nan 0.000 0.455 339 H N -0.540 118.568 119.070 0.063 0.000 2.895 339 H HA 0.349 4.905 4.556 -0.000 0.000 0.282 339 H C -3.494 171.858 175.328 0.040 0.000 1.338 339 H CA -1.906 54.202 56.048 0.100 0.000 1.595 339 H CB 0.212 30.044 29.762 0.116 0.000 1.771 339 H HN 0.173 nan 8.280 nan 0.000 0.573 340 P HA 0.007 nan 4.420 nan 0.000 0.271 340 P C 0.244 177.425 177.300 -0.199 0.000 1.244 340 P CA -0.611 62.424 63.100 -0.108 0.000 0.793 340 P CB 1.407 32.969 31.700 -0.230 0.000 0.984 341 L N 1.139 122.198 121.223 -0.274 0.000 2.397 341 L HA 0.215 4.555 4.340 -0.000 0.000 0.271 341 L C 0.155 176.785 176.870 -0.400 0.000 1.148 341 L CA 0.435 55.044 54.840 -0.384 0.000 0.825 341 L CB -0.728 40.820 42.059 -0.853 0.000 1.117 341 L HN 0.277 nan 8.230 nan 0.000 0.456 342 Y N 1.314 121.693 120.300 0.131 0.000 2.373 342 Y HA 0.762 5.312 4.550 -0.000 0.000 0.336 342 Y C 0.142 176.217 175.900 0.293 0.000 0.979 342 Y CA -0.648 57.564 58.100 0.186 0.000 1.080 342 Y CB 1.985 40.551 38.460 0.177 0.000 1.190 342 Y HN 0.724 nan 8.280 nan 0.000 0.446 343 A N 1.187 124.227 122.820 0.366 0.000 2.552 343 A HA 0.920 5.240 4.320 -0.000 0.000 0.288 343 A C -1.156 176.549 177.584 0.202 0.000 1.193 343 A CA -0.813 51.398 52.037 0.291 0.000 0.713 343 A CB 1.381 20.546 19.000 0.275 0.000 1.305 343 A HN 0.490 nan 8.150 nan 0.000 0.424 344 S N -0.665 115.117 115.700 0.137 0.000 2.568 344 S HA 0.576 5.046 4.470 -0.000 0.000 0.302 344 S C -0.060 174.591 174.600 0.086 0.000 1.082 344 S CA -0.256 58.007 58.200 0.106 0.000 1.009 344 S CB 1.647 64.892 63.200 0.075 0.000 1.069 344 S HN 1.809 nan 8.310 nan 0.000 0.500 345 V N 2.220 122.185 119.914 0.085 0.000 2.673 345 V HA 0.480 4.600 4.120 -0.000 0.000 0.303 345 V C 1.157 177.281 176.094 0.049 0.000 1.046 345 V CA 1.459 63.803 62.300 0.073 0.000 1.126 345 V CB -0.080 31.790 31.823 0.080 0.000 0.934 345 V HN 1.460 nan 8.190 nan 0.000 0.487 346 G N 3.444 112.267 108.800 0.040 0.000 2.225 346 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.254 346 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.254 346 G C 0.112 175.020 174.900 0.013 0.000 0.988 346 G CA 0.438 45.554 45.100 0.026 0.000 0.625 346 G HN 0.972 nan 8.290 nan 0.000 0.527 347 E N 1.216 121.422 120.200 0.009 0.000 2.373 347 E HA 0.405 4.755 4.350 -0.000 0.000 0.267 347 E C -0.031 176.539 176.600 -0.050 0.000 1.032 347 E CA 0.258 56.650 56.400 -0.014 0.000 0.889 347 E CB 0.585 30.283 29.700 -0.004 0.000 0.984 347 E HN 0.146 nan 8.360 nan 0.000 0.425 348 T N 2.460 116.978 114.554 -0.060 0.000 2.780 348 T HA 0.283 4.633 4.350 -0.000 0.000 0.294 348 T C -0.308 174.295 174.700 -0.162 0.000 0.949 348 T CA -0.435 61.608 62.100 -0.096 0.000 1.074 348 T CB 0.802 69.646 68.868 -0.040 0.000 0.910 348 T HN 0.081 nan 8.240 nan 0.000 0.501 349 V N 3.803 123.529 119.914 -0.314 0.000 2.769 349 V HA 0.678 4.798 4.120 -0.000 0.000 0.312 349 V C -0.132 175.743 176.094 -0.366 0.000 1.061 349 V CA -1.002 61.089 62.300 -0.348 0.000 0.931 349 V CB 2.208 33.782 31.823 -0.414 0.000 1.010 349 V HN 0.786 nan 8.190 nan 0.000 0.433 350 R N 3.941 124.312 120.500 -0.214 0.000 2.561 350 R HA 0.711 5.051 4.340 -0.000 0.000 0.297 350 R C -1.721 174.526 176.300 -0.089 0.000 0.969 350 R CA -0.465 55.512 56.100 -0.205 0.000 0.879 350 R CB 1.475 31.569 30.300 -0.344 0.000 1.178 350 R HN 0.686 nan 8.270 nan 0.000 0.445 351 I N 5.091 125.668 120.570 0.011 0.000 2.362 351 I HA 0.316 4.486 4.170 -0.000 0.000 0.289 351 I C -0.789 175.325 176.117 -0.004 0.000 0.994 351 I CA -0.755 60.640 61.300 0.158 0.000 1.158 351 I CB 1.462 39.671 38.000 0.348 0.000 1.315 351 I HN 0.556 nan 8.210 nan 0.000 0.451 352 F N 6.579 126.663 119.950 0.223 0.000 2.413 352 F HA 0.287 4.814 4.527 -0.000 0.000 0.359 352 F C -0.124 175.836 175.800 0.266 0.000 1.122 352 F CA -0.330 57.813 58.000 0.238 0.000 1.160 352 F CB 0.465 39.681 39.000 0.360 0.000 1.146 352 F HN 0.292 nan 8.300 nan 0.000 0.514 353 F N 3.193 123.211 119.950 0.114 0.000 2.449 353 F HA 0.780 5.307 4.527 -0.000 0.000 0.342 353 F C -0.052 175.740 175.800 -0.012 0.000 1.127 353 F CA -0.873 57.059 58.000 -0.113 0.000 0.975 353 F CB 1.074 39.693 39.000 -0.636 0.000 1.146 353 F HN 0.432 nan 8.300 nan 0.000 0.444 354 G N 4.012 112.357 108.800 -0.758 0.000 2.533 354 G HA2 0.592 4.552 3.960 -0.000 0.000 0.304 354 G HA3 0.592 4.552 3.960 -0.000 0.000 0.304 354 G C -2.132 172.340 174.900 -0.713 0.000 1.263 354 G CA -0.876 43.909 45.100 -0.525 0.000 0.964 354 G HN 0.518 nan 8.290 nan 0.000 0.479 355 V N 1.657 121.330 119.914 -0.402 0.000 2.326 355 V HA 0.428 4.548 4.120 -0.000 0.000 0.281 355 V C 1.290 177.214 176.094 -0.283 0.000 1.015 355 V CA 0.246 62.368 62.300 -0.297 0.000 0.823 355 V CB 0.878 32.635 31.823 -0.109 0.000 1.009 355 V HN 0.986 nan 8.190 nan 0.000 0.436 356 G N 2.924 111.408 108.800 -0.526 0.000 2.404 356 G HA2 0.324 4.284 3.960 -0.000 0.000 0.215 356 G HA3 0.324 4.284 3.960 -0.000 0.000 0.215 356 G C 1.023 175.630 174.900 -0.488 0.000 1.174 356 G CA 1.226 45.852 45.100 -0.790 0.000 0.780 356 G HN 1.432 nan 8.290 nan 0.000 0.537 357 G N 0.383 108.951 108.800 -0.387 0.000 2.669 357 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.250 357 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.250 357 G C -1.070 173.794 174.900 -0.060 0.000 1.247 357 G CA 0.512 45.543 45.100 -0.114 0.000 0.958 357 G HN 0.362 nan 8.290 nan 0.000 0.559 358 P HA 0.068 nan 4.420 nan 0.000 0.229 358 P C 0.916 178.213 177.300 -0.006 0.000 1.160 358 P CA 1.542 64.634 63.100 -0.013 0.000 0.777 358 P CB -0.029 31.668 31.700 -0.005 0.000 0.814 359 N N -1.475 117.268 118.700 0.073 0.000 2.445 359 N HA 0.116 4.856 4.740 -0.000 0.000 0.204 359 N C 0.035 175.429 175.510 -0.194 0.000 1.098 359 N CA 0.166 53.168 53.050 -0.079 0.000 0.859 359 N CB 0.147 38.540 38.487 -0.156 0.000 1.249 359 N HN 0.122 nan 8.380 nan 0.000 0.462 360 F N 1.608 121.613 119.950 0.091 0.000 2.420 360 F HA 0.309 4.836 4.527 -0.000 0.000 0.342 360 F C 0.706 176.576 175.800 0.118 0.000 1.113 360 F CA -0.624 57.457 58.000 0.135 0.000 1.059 360 F CB 1.223 40.386 39.000 0.273 0.000 1.128 360 F HN -0.357 nan 8.300 nan 0.000 0.475 361 T N 2.201 116.889 114.554 0.224 0.000 2.817 361 T HA 0.050 4.400 4.350 -0.000 0.000 0.295 361 T C 0.222 175.072 174.700 0.250 0.000 0.958 361 T CA -0.057 62.162 62.100 0.198 0.000 1.157 361 T CB 0.598 69.544 68.868 0.130 0.000 0.898 361 T HN 0.555 nan 8.240 nan 0.000 0.536 362 S N 2.530 118.402 115.700 0.288 0.000 2.586 362 S HA 0.341 4.811 4.470 -0.000 0.000 0.274 362 S C 0.229 175.014 174.600 0.308 0.000 1.281 362 S CA -0.843 57.560 58.200 0.340 0.000 1.035 362 S CB 0.460 63.996 63.200 0.560 0.000 0.962 362 S HN 0.590 nan 8.310 nan 0.000 0.512 363 S N 4.500 120.357 115.700 0.262 0.000 2.468 363 S HA 0.302 4.772 4.470 -0.000 0.000 0.190 363 S C -0.668 174.103 174.600 0.285 0.000 1.445 363 S CA -0.505 57.835 58.200 0.233 0.000 1.084 363 S CB -0.446 62.847 63.200 0.156 0.000 1.175 363 S HN 0.636 nan 8.310 nan 0.000 0.484 364 F N 3.837 123.857 119.950 0.117 0.000 2.504 364 F HA 0.436 4.963 4.527 -0.000 0.000 0.369 364 F C 0.149 176.086 175.800 0.227 0.000 1.082 364 F CA -0.138 57.854 58.000 -0.013 0.000 1.216 364 F CB 0.260 38.988 39.000 -0.454 0.000 1.108 364 F HN 0.548 nan 8.300 nan 0.000 0.554 365 H N 3.809 122.534 119.070 -0.575 0.000 2.974 365 H HA 0.586 5.142 4.556 -0.000 0.000 0.366 365 H C -1.878 173.074 175.328 -0.626 0.000 1.155 365 H CA -0.830 54.969 56.048 -0.414 0.000 1.186 365 H CB 1.700 31.401 29.762 -0.101 0.000 1.799 365 H HN 0.387 nan 8.280 nan 0.000 0.541 366 V N 6.774 125.948 119.914 -1.234 0.000 2.311 366 V HA 0.241 4.361 4.120 -0.000 0.000 0.275 366 V C 0.450 175.974 176.094 -0.950 0.000 1.022 366 V CA -0.610 61.153 62.300 -0.896 0.000 0.830 366 V CB 0.624 32.013 31.823 -0.724 0.000 1.012 366 V HN 0.678 nan 8.190 nan 0.000 0.452 367 I N 4.706 124.968 120.570 -0.514 0.000 2.598 367 I HA 0.315 4.485 4.170 -0.000 0.000 0.284 367 I C 1.461 177.525 176.117 -0.089 0.000 1.140 367 I CA 1.305 62.475 61.300 -0.216 0.000 1.420 367 I CB 0.420 38.409 38.000 -0.019 0.000 1.387 367 I HN 0.907 nan 8.210 nan 0.000 0.553 368 G N 3.884 112.654 108.800 -0.050 0.000 2.175 368 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.244 368 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.244 368 G C 0.077 175.038 174.900 0.101 0.000 0.982 368 G CA -0.327 44.825 45.100 0.086 0.000 0.641 368 G HN 0.570 nan 8.290 nan 0.000 0.527 369 E N -0.840 119.228 120.200 -0.221 0.000 2.445 369 E HA 0.790 5.140 4.350 -0.000 0.000 0.273 369 E C -0.605 175.627 176.600 -0.612 0.000 0.961 369 E CA -0.639 55.499 56.400 -0.436 0.000 0.807 369 E CB 1.988 31.259 29.700 -0.714 0.000 1.362 369 E HN 0.279 nan 8.360 nan 0.000 0.453 370 I N 1.133 121.350 120.570 -0.587 0.000 2.582 370 I HA 0.319 4.489 4.170 -0.000 0.000 0.292 370 I C -0.535 175.293 176.117 -0.482 0.000 1.066 370 I CA -0.765 60.208 61.300 -0.546 0.000 1.053 370 I CB 1.487 39.333 38.000 -0.257 0.000 1.241 370 I HN 0.312 nan 8.210 nan 0.000 0.421 371 F N 4.246 124.060 119.950 -0.227 0.000 2.502 371 F HA 0.091 4.618 4.527 -0.000 0.000 0.371 371 F C 1.287 177.054 175.800 -0.055 0.000 1.083 371 F CA -0.408 57.536 58.000 -0.092 0.000 1.174 371 F CB 0.393 39.378 39.000 -0.025 0.000 1.096 371 F HN 0.529 nan 8.300 nan 0.000 0.545 372 D N 0.801 121.299 120.400 0.164 0.000 2.097 372 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 372 D C 0.527 176.588 176.300 -0.398 0.000 0.984 372 D CA 1.605 55.536 54.000 -0.115 0.000 0.826 372 D CB 0.071 40.831 40.800 -0.066 0.000 0.973 372 D HN 0.460 nan 8.370 nan 0.000 0.460 373 H N -0.887 118.272 119.070 0.148 0.000 2.667 373 H HA 0.466 5.022 4.556 -0.000 0.000 0.353 373 H C -0.819 174.529 175.328 0.034 0.000 1.072 373 H CA -0.567 55.496 56.048 0.025 0.000 1.214 373 H CB 2.190 31.921 29.762 -0.052 0.000 1.600 373 H HN -0.270 nan 8.280 nan 0.000 0.527 374 V N 3.939 123.880 119.914 0.046 0.000 2.444 374 V HA 0.114 4.234 4.120 -0.000 0.000 0.294 374 V C -0.765 175.293 176.094 -0.059 0.000 1.022 374 V CA -0.768 61.554 62.300 0.036 0.000 0.850 374 V CB 1.198 33.056 31.823 0.058 0.000 0.992 374 V HN 0.623 nan 8.190 nan 0.000 0.426 375 Y N 2.828 123.159 120.300 0.052 0.000 2.594 375 Y HA 0.212 4.762 4.550 -0.000 0.000 0.344 375 Y C 1.363 177.291 175.900 0.047 0.000 1.185 375 Y CA -0.310 57.819 58.100 0.047 0.000 1.565 375 Y CB 0.068 38.548 38.460 0.034 0.000 1.415 375 Y HN 0.666 nan 8.280 nan 0.000 0.488 376 S N 3.948 119.706 115.700 0.096 0.000 2.575 376 S HA -0.017 4.453 4.470 -0.000 0.000 0.295 376 S C 0.917 175.579 174.600 0.103 0.000 1.267 376 S CA -0.242 58.012 58.200 0.090 0.000 1.074 376 S CB 0.144 63.380 63.200 0.060 0.000 0.829 376 S HN 0.831 nan 8.310 nan 0.000 0.497 377 L N 1.031 122.315 121.223 0.101 0.000 4.429 377 L HA -0.312 4.028 4.340 -0.000 0.000 0.422 377 L C 1.384 178.301 176.870 0.079 0.000 1.149 377 L CA 0.499 55.394 54.840 0.091 0.000 0.972 377 L CB -2.333 39.772 42.059 0.077 0.000 2.059 377 L HN 1.222 nan 8.230 nan 0.000 0.870 378 G N -0.665 108.190 108.800 0.093 0.000 2.159 378 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.256 378 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.256 378 G C 0.255 175.170 174.900 0.026 0.000 0.977 378 G CA 0.569 45.697 45.100 0.047 0.000 0.652 378 G HN 0.617 nan 8.290 nan 0.000 0.531 379 S N -0.615 115.139 115.700 0.089 0.000 2.516 379 S HA 0.418 4.888 4.470 -0.000 0.000 0.282 379 S C 1.375 176.092 174.600 0.195 0.000 1.286 379 S CA 0.354 58.614 58.200 0.100 0.000 1.066 379 S CB 1.351 64.612 63.200 0.101 0.000 0.884 379 S HN 0.738 nan 8.310 nan 0.000 0.491 380 V N 5.529 125.516 119.914 0.122 0.000 3.661 380 V HA 0.054 4.174 4.120 -0.000 0.000 0.271 380 V C 1.509 177.696 176.094 0.155 0.000 1.315 380 V CA 0.517 62.899 62.300 0.136 0.000 1.072 380 V CB 0.692 32.509 31.823 -0.009 0.000 0.830 380 V HN 0.824 nan 8.190 nan 0.000 0.443 381 V N -1.052 118.933 119.914 0.119 0.000 2.685 381 V HA 0.077 4.197 4.120 -0.000 0.000 0.244 381 V C 1.199 177.345 176.094 0.087 0.000 1.054 381 V CA 0.651 63.007 62.300 0.093 0.000 1.076 381 V CB 0.111 31.978 31.823 0.073 0.000 0.725 381 V HN 0.442 nan 8.190 nan 0.000 0.467 382 S N 1.110 116.862 115.700 0.087 0.000 2.592 382 S HA 0.332 4.802 4.470 -0.000 0.000 0.271 382 S C -2.301 172.321 174.600 0.037 0.000 1.326 382 S CA -0.616 57.618 58.200 0.057 0.000 1.024 382 S CB 0.621 63.850 63.200 0.049 0.000 0.921 382 S HN 0.249 nan 8.310 nan 0.000 0.527 383 P HA 0.219 nan 4.420 nan 0.000 0.271 383 P C -2.276 174.961 177.300 -0.106 0.000 1.220 383 P CA -1.067 62.010 63.100 -0.039 0.000 0.768 383 P CB -0.450 31.241 31.700 -0.014 0.000 0.848 384 P HA 0.046 nan 4.420 nan 0.000 0.270 384 P C -0.143 177.091 177.300 -0.110 0.000 1.223 384 P CA 0.062 62.935 63.100 -0.377 0.000 0.785 384 P CB 0.713 31.908 31.700 -0.842 0.000 0.923 385 L N 1.330 122.510 121.223 -0.071 0.000 2.452 385 L HA 0.268 4.608 4.340 -0.000 0.000 0.267 385 L C 0.747 177.617 176.870 -0.001 0.000 1.188 385 L CA -0.354 54.479 54.840 -0.011 0.000 0.821 385 L CB -0.053 42.012 42.059 0.009 0.000 1.102 385 L HN 0.255 nan 8.230 nan 0.000 0.470 386 I N 0.846 121.408 120.570 -0.014 0.000 2.404 386 I HA 0.407 4.577 4.170 -0.000 0.000 0.293 386 I C 0.540 176.623 176.117 -0.057 0.000 0.992 386 I CA -0.382 60.871 61.300 -0.079 0.000 1.149 386 I CB 1.710 39.667 38.000 -0.072 0.000 1.315 386 I HN 0.742 nan 8.210 nan 0.000 0.446 387 G N 4.596 113.351 108.800 -0.074 0.000 2.462 387 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.283 387 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.283 387 G C -0.726 174.167 174.900 -0.013 0.000 1.043 387 G CA -0.518 44.553 45.100 -0.048 0.000 1.300 387 G HN 0.445 nan 8.290 nan 0.000 0.518 388 V N 2.640 122.577 119.914 0.037 0.000 2.588 388 V HA 0.434 4.553 4.120 -0.000 0.000 0.304 388 V C 1.287 177.405 176.094 0.040 0.000 1.042 388 V CA 0.035 62.384 62.300 0.083 0.000 0.877 388 V CB 1.801 33.729 31.823 0.175 0.000 0.996 388 V HN 0.780 nan 8.190 nan 0.000 0.425 389 Q N 2.768 122.558 119.800 -0.016 0.000 2.096 389 Q HA 0.036 4.376 4.340 -0.000 0.000 0.197 389 Q C 0.737 176.758 176.000 0.034 0.000 0.964 389 Q CA 1.342 57.089 55.803 -0.094 0.000 0.838 389 Q CB 0.379 29.071 28.738 -0.075 0.000 0.906 389 Q HN 0.701 nan 8.270 nan 0.000 0.444 390 T N -0.812 113.839 114.554 0.162 0.000 2.993 390 T HA 0.488 4.838 4.350 -0.000 0.000 0.312 390 T C -1.761 173.092 174.700 0.256 0.000 1.115 390 T CA -0.715 61.539 62.100 0.255 0.000 1.027 390 T CB 2.156 71.072 68.868 0.080 0.000 1.116 390 T HN 0.130 nan 8.240 nan 0.000 0.464 391 V N 3.876 123.979 119.914 0.315 0.000 2.487 391 V HA 0.705 4.825 4.120 -0.000 0.000 0.298 391 V C -0.123 176.113 176.094 0.236 0.000 1.028 391 V CA -0.391 62.052 62.300 0.238 0.000 0.860 391 V CB 2.043 33.985 31.823 0.198 0.000 0.991 391 V HN 1.115 nan 8.190 nan 0.000 0.427 392 S N 5.402 121.211 115.700 0.182 0.000 2.505 392 S HA 0.546 5.016 4.470 -0.000 0.000 0.276 392 S C -0.417 174.303 174.600 0.200 0.000 1.274 392 S CA -0.369 57.941 58.200 0.183 0.000 1.053 392 S CB 1.163 64.440 63.200 0.129 0.000 0.919 392 S HN 0.673 nan 8.310 nan 0.000 0.490 393 V N 6.672 126.734 119.914 0.247 0.000 2.409 393 V HA 0.383 4.503 4.120 -0.000 0.000 0.290 393 V C -2.098 174.106 176.094 0.182 0.000 1.017 393 V CA -1.869 60.574 62.300 0.238 0.000 0.841 393 V CB 1.535 33.579 31.823 0.368 0.000 1.003 393 V HN 0.656 nan 8.190 nan 0.000 0.426 394 P HA 0.328 nan 4.420 nan 0.000 0.276 394 P C -2.785 174.560 177.300 0.075 0.000 1.252 394 P CA -2.011 61.148 63.100 0.098 0.000 0.802 394 P CB 0.382 32.130 31.700 0.080 0.000 1.035 395 P HA 0.008 nan 4.420 nan 0.000 0.268 395 P C 0.858 178.185 177.300 0.044 0.000 1.205 395 P CA 1.012 64.121 63.100 0.015 0.000 0.771 395 P CB -0.183 31.516 31.700 -0.003 0.000 0.858 396 G N 1.354 110.180 108.800 0.042 0.000 2.153 396 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.252 396 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.252 396 G C 0.365 175.421 174.900 0.260 0.000 0.994 396 G CA -0.085 45.136 45.100 0.202 0.000 0.698 396 G HN 0.939 nan 8.290 nan 0.000 0.521 397 G N -1.479 107.394 108.800 0.123 0.000 2.605 397 G HA2 1.029 4.989 3.960 -0.000 0.000 0.296 397 G HA3 1.029 4.989 3.960 -0.000 0.000 0.296 397 G C -0.498 174.429 174.900 0.044 0.000 1.304 397 G CA 0.154 45.327 45.100 0.121 0.000 0.941 397 G HN 1.622 nan 8.290 nan 0.000 0.475 398 A N -0.398 122.454 122.820 0.054 0.000 2.556 398 A HA 0.928 5.248 4.320 -0.000 0.000 0.294 398 A C -0.461 177.174 177.584 0.085 0.000 1.091 398 A CA -0.367 51.687 52.037 0.028 0.000 0.704 398 A CB 1.959 20.972 19.000 0.021 0.000 1.300 398 A HN 1.190 nan 8.150 nan 0.000 0.406 399 T N -0.316 114.316 114.554 0.130 0.000 2.804 399 T HA 0.732 5.082 4.350 -0.000 0.000 0.290 399 T C -1.496 173.298 174.700 0.156 0.000 1.099 399 T CA -0.354 61.838 62.100 0.153 0.000 1.011 399 T CB 0.818 69.785 68.868 0.166 0.000 1.291 399 T HN 0.563 nan 8.240 nan 0.000 0.523 400 I N 2.325 122.979 120.570 0.141 0.000 2.466 400 I HA 0.558 4.728 4.170 -0.000 0.000 0.289 400 I C -0.623 175.580 176.117 0.144 0.000 1.026 400 I CA -1.089 60.231 61.300 0.032 0.000 1.078 400 I CB 2.027 39.893 38.000 -0.223 0.000 1.249 400 I HN 0.458 nan 8.210 nan 0.000 0.429 401 V N 1.662 121.596 119.914 0.033 0.000 2.604 401 V HA 0.702 4.822 4.120 -0.000 0.000 0.305 401 V C -1.186 175.034 176.094 0.210 0.000 1.043 401 V CA -0.427 61.900 62.300 0.045 0.000 0.888 401 V CB 2.048 33.595 31.823 -0.459 0.000 0.995 401 V HN 0.519 nan 8.190 nan 0.000 0.429 402 D N 4.317 124.919 120.400 0.337 0.000 2.481 402 D HA 0.814 5.454 4.640 -0.000 0.000 0.244 402 D C -0.818 175.766 176.300 0.473 0.000 1.057 402 D CA 0.200 54.363 54.000 0.271 0.000 0.848 402 D CB 2.146 43.100 40.800 0.256 0.000 1.388 402 D HN 0.774 nan 8.370 nan 0.000 0.475 403 F N -1.454 118.581 119.950 0.142 0.000 2.665 403 F HA 0.430 4.957 4.527 -0.000 0.000 0.308 403 F C -0.542 175.281 175.800 0.038 0.000 1.112 403 F CA -1.362 56.691 58.000 0.087 0.000 0.972 403 F CB 1.469 40.513 39.000 0.074 0.000 1.295 403 F HN -0.050 nan 8.300 nan 0.000 0.440 404 K N 3.157 123.636 120.400 0.131 0.000 2.276 404 K HA 0.520 4.839 4.320 -0.000 0.000 0.283 404 K C -0.867 175.778 176.600 0.075 0.000 1.044 404 K CA -0.434 55.879 56.287 0.044 0.000 0.944 404 K CB 0.709 33.237 32.500 0.047 0.000 1.012 404 K HN 0.812 nan 8.250 nan 0.000 0.472 405 I N 5.494 126.070 120.570 0.011 0.000 2.294 405 I HA 0.007 4.177 4.170 -0.000 0.000 0.295 405 I C 0.022 176.154 176.117 0.025 0.000 1.098 405 I CA -0.240 61.059 61.300 -0.001 0.000 1.277 405 I CB 0.906 38.886 38.000 -0.033 0.000 1.434 405 I HN 0.746 nan 8.210 nan 0.000 0.498 406 D N 5.074 125.493 120.400 0.033 0.000 2.234 406 D HA -0.045 4.595 4.640 -0.000 0.000 0.205 406 D C 0.600 176.943 176.300 0.071 0.000 0.962 406 D CA 0.864 54.893 54.000 0.048 0.000 0.855 406 D CB 0.203 41.028 40.800 0.042 0.000 0.951 406 D HN 0.565 nan 8.370 nan 0.000 0.500 407 R N -0.954 119.613 120.500 0.112 0.000 2.766 407 R HA 0.742 5.081 4.340 -0.000 0.000 0.270 407 R C -1.395 175.036 176.300 0.218 0.000 1.035 407 R CA -1.141 55.040 56.100 0.136 0.000 0.911 407 R CB 0.919 31.288 30.300 0.114 0.000 1.243 407 R HN -0.125 nan 8.270 nan 0.000 0.460 408 A N 0.116 123.030 122.820 0.155 0.000 2.366 408 A HA 0.739 5.059 4.320 -0.000 0.000 0.249 408 A C 0.454 178.077 177.584 0.064 0.000 1.084 408 A CA 0.457 52.579 52.037 0.141 0.000 0.794 408 A CB -0.019 19.021 19.000 0.068 0.000 1.034 408 A HN 1.288 nan 8.150 nan 0.000 0.491 409 G N -0.505 108.270 108.800 -0.042 0.000 2.336 409 G HA2 0.422 4.382 3.960 -0.000 0.000 0.300 409 G HA3 0.422 4.382 3.960 -0.000 0.000 0.300 409 G C -0.995 173.644 174.900 -0.436 0.000 1.375 409 G CA -0.586 44.288 45.100 -0.377 0.000 0.885 409 G HN 1.032 nan 8.290 nan 0.000 0.599 410 R N 0.332 120.530 120.500 -0.502 0.000 2.230 410 R HA 0.621 4.961 4.340 -0.000 0.000 0.337 410 R C -0.984 175.014 176.300 -0.502 0.000 1.063 410 R CA -0.535 55.315 56.100 -0.416 0.000 0.935 410 R CB -0.220 29.805 30.300 -0.459 0.000 1.121 410 R HN 0.458 nan 8.270 nan 0.000 0.486 411 Y N 4.315 124.561 120.300 -0.089 0.000 2.301 411 Y HA 0.358 4.907 4.550 -0.000 0.000 0.325 411 Y C 0.409 176.295 175.900 -0.023 0.000 1.203 411 Y CA -0.596 57.457 58.100 -0.078 0.000 1.255 411 Y CB 1.150 39.572 38.460 -0.064 0.000 1.232 411 Y HN 0.371 nan 8.280 nan 0.000 0.501 412 I N 4.267 124.893 120.570 0.093 0.000 2.411 412 I HA 0.199 4.369 4.170 -0.000 0.000 0.284 412 I C -1.284 174.843 176.117 0.016 0.000 1.012 412 I CA -0.781 60.598 61.300 0.132 0.000 1.119 412 I CB 0.992 39.077 38.000 0.141 0.000 1.261 412 I HN 0.273 nan 8.210 nan 0.000 0.448 413 L N 7.799 129.040 121.223 0.031 0.000 2.360 413 L HA 0.423 4.763 4.340 -0.000 0.000 0.276 413 L C 0.177 177.179 176.870 0.220 0.000 1.121 413 L CA 0.086 54.898 54.840 -0.048 0.000 0.845 413 L CB 0.917 42.886 42.059 -0.150 0.000 1.143 413 L HN 0.462 nan 8.230 nan 0.000 0.452 414 V N -0.815 119.192 119.914 0.154 0.000 3.049 414 V HA 0.614 4.734 4.120 -0.000 0.000 0.309 414 V C -0.932 175.333 176.094 0.284 0.000 1.148 414 V CA -0.958 61.481 62.300 0.233 0.000 0.990 414 V CB 2.166 34.002 31.823 0.022 0.000 1.039 414 V HN 0.611 nan 8.190 nan 0.000 0.430 415 D N 1.281 121.802 120.400 0.201 0.000 2.295 415 D HA 0.227 4.867 4.640 -0.000 0.000 0.248 415 D C 0.577 176.895 176.300 0.030 0.000 1.154 415 D CA 0.105 54.194 54.000 0.148 0.000 0.857 415 D CB 0.901 41.709 40.800 0.013 0.000 1.117 415 D HN 0.799 nan 8.370 nan 0.000 0.468 416 H N 2.937 122.012 119.070 0.008 0.000 2.553 416 H HA 0.130 4.686 4.556 -0.000 0.000 0.269 416 H C -0.219 175.059 175.328 -0.084 0.000 1.011 416 H CA 0.198 56.211 56.048 -0.057 0.000 1.150 416 H CB 0.076 29.778 29.762 -0.100 0.000 1.339 416 H HN 0.421 nan 8.280 nan 0.000 0.604 417 A N 1.585 124.409 122.820 0.006 0.000 2.906 417 A HA 0.067 4.387 4.320 -0.000 0.000 0.289 417 A C 1.166 178.639 177.584 -0.186 0.000 1.675 417 A CA -0.296 51.692 52.037 -0.082 0.000 1.372 417 A CB -0.590 18.328 19.000 -0.137 0.000 1.091 417 A HN 0.231 nan 8.150 nan 0.000 0.579 418 L N 1.397 122.525 121.223 -0.158 0.000 2.456 418 L HA -0.068 4.271 4.340 -0.000 0.000 0.224 418 L C 2.404 179.151 176.870 -0.205 0.000 1.148 418 L CA 1.550 56.258 54.840 -0.220 0.000 0.825 418 L CB -1.152 40.765 42.059 -0.238 0.000 0.937 418 L HN 0.594 nan 8.230 nan 0.000 0.450 419 S N -0.596 114.995 115.700 -0.182 0.000 2.440 419 S HA -0.189 4.281 4.470 -0.000 0.000 0.238 419 S C 1.966 176.447 174.600 -0.198 0.000 1.010 419 S CA 0.938 59.041 58.200 -0.162 0.000 0.972 419 S CB -0.197 62.935 63.200 -0.114 0.000 0.774 419 S HN 0.480 nan 8.310 nan 0.000 0.501 420 R N 0.657 120.947 120.500 -0.350 0.000 2.189 420 R HA 0.109 4.449 4.340 -0.000 0.000 0.223 420 R C 1.947 178.041 176.300 -0.343 0.000 1.092 420 R CA 0.539 56.349 56.100 -0.482 0.000 0.989 420 R CB -0.416 29.328 30.300 -0.928 0.000 0.876 420 R HN 0.373 nan 8.270 nan 0.000 0.457 421 L N 1.101 122.152 121.223 -0.286 0.000 2.081 421 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 421 L C 1.754 178.451 176.870 -0.288 0.000 1.080 421 L CA 1.564 56.260 54.840 -0.240 0.000 0.754 421 L CB -0.357 41.588 42.059 -0.190 0.000 0.893 421 L HN 0.306 nan 8.230 nan 0.000 0.433 422 E N -1.643 118.345 120.200 -0.353 0.000 2.478 422 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 422 E C 1.014 176.952 176.600 -1.104 0.000 1.045 422 E CA 0.230 56.333 56.400 -0.495 0.000 0.868 422 E CB 0.118 29.589 29.700 -0.382 0.000 0.885 422 E HN 0.610 nan 8.360 nan 0.000 0.505 423 H N -0.264 118.233 119.070 -0.955 0.000 2.505 423 H HA 0.190 4.746 4.556 -0.000 0.000 0.289 423 H C 1.038 175.803 175.328 -0.938 0.000 1.052 423 H CA 0.659 55.849 56.048 -1.431 0.000 1.156 423 H CB 1.210 30.630 29.762 -0.571 0.000 1.507 423 H HN 0.352 nan 8.280 nan 0.000 0.548 424 G N 0.911 109.403 108.800 -0.513 0.000 2.184 424 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.206 424 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.206 424 G C 0.106 174.932 174.900 -0.124 0.000 0.995 424 G CA -0.412 44.635 45.100 -0.088 0.000 0.651 424 G HN 0.320 nan 8.290 nan 0.000 0.511 425 L N 1.495 122.580 121.223 -0.231 0.000 2.315 425 L HA 0.724 5.064 4.340 -0.000 0.000 0.278 425 L C -0.389 176.308 176.870 -0.287 0.000 1.088 425 L CA -0.588 54.019 54.840 -0.387 0.000 0.899 425 L CB 1.099 42.883 42.059 -0.458 0.000 1.277 425 L HN 0.151 nan 8.230 nan 0.000 0.431 426 V N 3.197 123.042 119.914 -0.115 0.000 2.966 426 V HA 0.802 4.922 4.120 -0.000 0.000 0.288 426 V C -0.608 175.587 176.094 0.170 0.000 1.380 426 V CA -0.182 62.165 62.300 0.078 0.000 0.966 426 V CB 2.176 33.956 31.823 -0.071 0.000 1.115 426 V HN 0.644 nan 8.190 nan 0.000 0.436 427 G N 4.407 113.327 108.800 0.201 0.000 2.642 427 G HA2 0.786 4.746 3.960 -0.000 0.000 0.293 427 G HA3 0.786 4.746 3.960 -0.000 0.000 0.293 427 G C -1.627 173.251 174.900 -0.037 0.000 1.341 427 G CA -0.710 44.369 45.100 -0.034 0.000 0.916 427 G HN 0.636 nan 8.290 nan 0.000 0.474 428 F N 0.019 119.954 119.950 -0.025 0.000 2.469 428 F HA 0.496 5.023 4.527 -0.000 0.000 0.332 428 F C -0.264 175.446 175.800 -0.149 0.000 1.103 428 F CA -1.071 56.882 58.000 -0.078 0.000 0.979 428 F CB 2.574 41.520 39.000 -0.090 0.000 1.137 428 F HN 0.282 nan 8.300 nan 0.000 0.463 429 L N 4.950 126.236 121.223 0.105 0.000 2.295 429 L HA 0.457 4.796 4.340 -0.000 0.000 0.281 429 L C -1.010 175.894 176.870 0.057 0.000 1.018 429 L CA -0.560 54.274 54.840 -0.011 0.000 0.841 429 L CB 0.403 42.480 42.059 0.029 0.000 1.218 429 L HN 0.404 nan 8.230 nan 0.000 0.424 430 N N 4.583 123.245 118.700 -0.063 0.000 2.414 430 N HA 0.387 5.127 4.740 -0.000 0.000 0.256 430 N C -1.142 174.468 175.510 0.166 0.000 1.029 430 N CA -0.169 52.885 53.050 0.007 0.000 0.948 430 N CB 2.082 40.533 38.487 -0.060 0.000 1.102 430 N HN 0.374 nan 8.380 nan 0.000 0.496 431 V N 1.958 121.980 119.914 0.180 0.000 2.376 431 V HA 0.139 4.259 4.120 -0.000 0.000 0.287 431 V C -0.011 176.168 176.094 0.141 0.000 1.015 431 V CA -0.953 61.474 62.300 0.211 0.000 0.834 431 V CB 1.669 33.674 31.823 0.304 0.000 1.001 431 V HN 0.472 nan 8.190 nan 0.000 0.428 432 D N 3.049 123.528 120.400 0.131 0.000 2.341 432 D HA 0.667 5.307 4.640 -0.000 0.000 0.245 432 D C 0.409 176.750 176.300 0.068 0.000 1.106 432 D CA 1.491 55.543 54.000 0.086 0.000 0.905 432 D CB 1.743 42.592 40.800 0.082 0.000 1.202 432 D HN 0.926 nan 8.370 nan 0.000 0.426 433 G N 2.009 110.836 108.800 0.044 0.000 2.369 433 G HA2 0.179 4.139 3.960 -0.000 0.000 0.293 433 G HA3 0.179 4.139 3.960 -0.000 0.000 0.293 433 G C -2.767 172.146 174.900 0.022 0.000 1.301 433 G CA -0.892 44.230 45.100 0.037 0.000 0.913 433 G HN 0.522 nan 8.290 nan 0.000 0.540 434 P HA 0.243 nan 4.420 nan 0.000 0.271 434 P C 0.662 177.968 177.300 0.009 0.000 1.216 434 P CA -0.222 62.886 63.100 0.012 0.000 0.776 434 P CB 1.804 33.512 31.700 0.014 0.000 0.881 435 K N 2.955 123.354 120.400 -0.001 0.000 2.057 435 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 435 K C 0.424 177.033 176.600 0.014 0.000 1.049 435 K CA 1.094 57.376 56.287 -0.008 0.000 0.931 435 K CB 0.043 32.533 32.500 -0.016 0.000 0.714 435 K HN 0.398 nan 8.250 nan 0.000 0.440 436 N N 1.719 120.436 118.700 0.028 0.000 2.400 436 N HA 0.125 4.865 4.740 -0.000 0.000 0.288 436 N C -1.274 174.269 175.510 0.056 0.000 1.024 436 N CA -0.352 52.736 53.050 0.063 0.000 0.894 436 N CB 1.778 40.297 38.487 0.055 0.000 1.173 436 N HN 0.358 nan 8.380 nan 0.000 0.487 437 D N -1.967 118.491 120.400 0.097 0.000 2.825 437 D HA 0.124 4.764 4.640 -0.000 0.000 0.327 437 D C 0.576 176.958 176.300 0.137 0.000 1.277 437 D CA -0.569 53.475 54.000 0.074 0.000 0.950 437 D CB -0.086 40.748 40.800 0.056 0.000 1.438 437 D HN 0.202 nan 8.370 nan 0.000 0.526 438 S N -0.863 114.895 115.700 0.098 0.000 2.481 438 S HA -0.011 4.459 4.470 -0.000 0.000 0.231 438 S C 1.675 176.346 174.600 0.118 0.000 0.996 438 S CA 0.437 58.713 58.200 0.127 0.000 0.942 438 S CB -0.711 62.528 63.200 0.065 0.000 0.768 438 S HN 0.491 nan 8.310 nan 0.000 0.520 439 I N 0.171 120.792 120.570 0.085 0.000 2.584 439 I HA 0.303 4.473 4.170 -0.000 0.000 0.255 439 I C 1.056 177.191 176.117 0.031 0.000 1.145 439 I CA 0.633 61.964 61.300 0.052 0.000 1.462 439 I CB 0.114 38.142 38.000 0.048 0.000 1.102 439 I HN 0.371 nan 8.210 nan 0.000 0.433 440 M N 0.244 119.872 119.600 0.046 0.000 2.325 440 M HA 0.305 4.785 4.480 -0.000 0.000 0.285 440 M C -1.947 174.382 176.300 0.048 0.000 1.119 440 M CA -0.504 54.788 55.300 -0.014 0.000 0.959 440 M CB 1.762 34.352 32.600 -0.016 0.000 1.737 440 M HN 0.222 nan 8.290 nan 0.000 0.486 441 H N 1.043 120.108 119.070 -0.009 0.000 3.064 441 H HA 0.474 5.029 4.556 -0.000 0.000 0.352 441 H C -1.673 173.648 175.328 -0.013 0.000 1.260 441 H CA -1.035 55.007 56.048 -0.011 0.000 1.160 441 H CB 0.715 30.473 29.762 -0.006 0.000 1.879 441 H HN 0.652 nan 8.280 nan 0.000 0.544 442 E N 1.757 122.042 120.200 0.141 0.000 2.404 442 E HA 0.408 4.758 4.350 -0.000 0.000 0.261 442 E C 0.416 177.128 176.600 0.187 0.000 1.074 442 E CA -0.233 56.221 56.400 0.090 0.000 0.917 442 E CB 0.596 30.330 29.700 0.057 0.000 0.965 442 E HN 1.271 nan 8.360 nan 0.000 0.433 443 G N 1.942 110.792 108.800 0.083 0.000 2.796 443 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.571 443 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.571 443 G C -2.346 172.610 174.900 0.093 0.000 1.370 443 G CA -0.429 44.728 45.100 0.093 0.000 0.856 443 G HN 0.722 nan 8.290 nan 0.000 0.538 444 P HA 0.562 nan 4.420 nan 0.000 0.274 444 P C 0.590 177.985 177.300 0.159 0.000 1.256 444 P CA 0.437 63.579 63.100 0.070 0.000 0.795 444 P CB 0.543 32.270 31.700 0.045 0.000 1.038 445 A N 0.000 122.884 122.820 0.107 0.000 2.254 445 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 445 A CA 0.000 52.124 52.037 0.145 0.000 0.836 445 A CB 0.000 19.046 19.000 0.077 0.000 0.831 445 A HN 0.000 nan 8.150 nan 0.000 0.486