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 2aqo_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGQAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAYHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VXCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSDGNGSX XXXXXXXXXX DATA SEQUENCE XXXVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFET 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.022 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 I N 1.881 122.426 120.570 -0.042 0.000 2.353 2 I HA 0.301 4.470 4.170 -0.001 0.000 0.293 2 I C -0.142 175.767 176.117 -0.347 0.000 0.992 2 I CA -0.388 60.779 61.300 -0.222 0.000 1.268 2 I CB 1.335 39.146 38.000 -0.315 0.000 1.387 2 I HN 0.533 nan 8.210 nan 0.000 0.478 3 D N 5.376 125.567 120.400 -0.348 0.000 2.280 3 D HA 0.179 4.819 4.640 -0.001 0.000 0.243 3 D C -0.553 175.533 176.300 -0.357 0.000 1.129 3 D CA 0.097 53.953 54.000 -0.238 0.000 0.848 3 D CB 0.540 41.272 40.800 -0.112 0.000 1.107 3 D HN 0.344 nan 8.370 nan 0.000 0.471 4 Y N 1.367 121.696 120.300 0.049 0.000 2.660 4 Y HA 0.105 4.654 4.550 -0.000 0.000 0.254 4 Y C 2.143 178.046 175.900 0.004 0.000 1.176 4 Y CA -0.146 57.992 58.100 0.064 0.000 1.195 4 Y CB 0.506 39.075 38.460 0.181 0.000 1.190 4 Y HN 0.486 nan 8.280 nan 0.000 0.535 5 T N -3.221 111.392 114.554 0.099 0.000 3.072 5 T HA -0.078 4.271 4.350 -0.001 0.000 0.266 5 T C 2.038 176.710 174.700 -0.048 0.000 1.127 5 T CA 0.924 63.042 62.100 0.031 0.000 1.107 5 T CB -0.044 68.840 68.868 0.028 0.000 0.910 5 T HN 0.324 nan 8.240 nan 0.000 0.513 6 A N 1.327 124.114 122.820 -0.055 0.000 2.015 6 A HA 0.427 4.747 4.320 -0.001 0.000 0.219 6 A C 2.683 180.174 177.584 -0.154 0.000 1.163 6 A CA 1.341 53.330 52.037 -0.081 0.000 0.646 6 A CB -1.100 17.865 19.000 -0.058 0.000 0.806 6 A HN 0.751 nan 8.150 nan 0.000 0.448 7 A N -1.176 121.475 122.820 -0.282 0.000 2.066 7 A HA 0.369 4.689 4.320 -0.001 0.000 0.218 7 A C 1.843 179.096 177.584 -0.552 0.000 1.157 7 A CA 1.195 52.901 52.037 -0.551 0.000 0.670 7 A CB -1.087 17.232 19.000 -1.135 0.000 0.804 7 A HN 1.871 nan 8.150 nan 0.000 0.453 8 G N -0.795 107.785 108.800 -0.366 0.000 2.338 8 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.296 8 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.296 8 G C -0.074 174.742 174.900 -0.141 0.000 1.040 8 G CA 0.041 45.031 45.100 -0.183 0.000 1.004 8 G HN 0.403 nan 8.290 nan 0.000 0.509 9 F N 0.599 120.562 119.950 0.022 0.000 2.571 9 F HA 0.369 4.896 4.527 -0.001 0.000 0.384 9 F C 1.212 177.012 175.800 0.000 0.000 1.058 9 F CA 0.593 58.596 58.000 0.004 0.000 1.200 9 F CB 0.869 39.866 39.000 -0.006 0.000 1.077 9 F HN 0.084 nan 8.300 nan 0.000 0.558 10 T N 5.211 119.889 114.554 0.206 0.000 2.921 10 T HA 0.409 4.758 4.350 -0.001 0.000 0.297 10 T C -1.314 173.407 174.700 0.035 0.000 1.013 10 T CA -0.583 61.571 62.100 0.090 0.000 0.990 10 T CB 1.609 70.501 68.868 0.040 0.000 1.023 10 T HN 0.322 nan 8.240 nan 0.000 0.447 11 L N 4.693 125.922 121.223 0.010 0.000 2.316 11 L HA 0.609 4.948 4.340 -0.001 0.000 0.280 11 L C -1.329 175.519 176.870 -0.037 0.000 1.006 11 L CA -0.585 54.243 54.840 -0.020 0.000 0.836 11 L CB 0.571 42.616 42.059 -0.023 0.000 1.221 11 L HN 0.600 nan 8.230 nan 0.000 0.418 12 L N 5.252 126.436 121.223 -0.065 0.000 2.259 12 L HA 0.514 4.854 4.340 -0.001 0.000 0.288 12 L C -0.015 176.832 176.870 -0.039 0.000 1.051 12 L CA -0.099 54.699 54.840 -0.070 0.000 0.824 12 L CB 0.922 42.902 42.059 -0.132 0.000 1.206 12 L HN 0.645 nan 8.230 nan 0.000 0.429 13 Q N 1.567 121.355 119.800 -0.020 0.000 2.312 13 Q HA 0.518 4.858 4.340 -0.001 0.000 0.263 13 Q C 0.805 176.803 176.000 -0.003 0.000 0.995 13 Q CA 0.209 56.004 55.803 -0.014 0.000 0.853 13 Q CB 1.943 30.674 28.738 -0.011 0.000 1.300 13 Q HN 0.795 nan 8.270 nan 0.000 0.448 14 G N 1.443 110.239 108.800 -0.007 0.000 2.159 14 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.256 14 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.256 14 G C 0.092 175.000 174.900 0.013 0.000 0.977 14 G CA 0.113 45.212 45.100 -0.002 0.000 0.652 14 G HN 0.828 nan 8.290 nan 0.000 0.531 15 A N -0.537 122.297 122.820 0.024 0.000 2.287 15 A HA 0.674 4.993 4.320 -0.001 0.000 0.273 15 A C 0.155 177.788 177.584 0.081 0.000 1.091 15 A CA 0.224 52.299 52.037 0.063 0.000 0.817 15 A CB 0.373 19.418 19.000 0.075 0.000 1.069 15 A HN 0.935 nan 8.150 nan 0.000 0.492 16 H N 0.603 119.680 119.070 0.012 0.000 2.864 16 H HA 0.414 4.970 4.556 -0.001 0.000 0.281 16 H C -0.658 174.625 175.328 -0.076 0.000 1.093 16 H CA -0.636 55.386 56.048 -0.044 0.000 1.453 16 H CB 0.396 30.167 29.762 0.015 0.000 1.462 16 H HN 0.526 nan 8.280 nan 0.000 0.480 17 L N 6.682 127.993 121.223 0.146 0.000 2.276 17 L HA 0.229 4.569 4.340 -0.001 0.000 0.286 17 L C -1.639 175.125 176.870 -0.175 0.000 1.061 17 L CA -0.209 54.651 54.840 0.033 0.000 0.807 17 L CB 0.197 42.263 42.059 0.012 0.000 1.177 17 L HN 0.607 nan 8.230 nan 0.000 0.429 18 Y N 4.623 124.982 120.300 0.097 0.000 2.447 18 Y HA 0.500 5.050 4.550 -0.001 0.000 0.325 18 Y C 0.862 176.801 175.900 0.065 0.000 0.976 18 Y CA -0.418 57.721 58.100 0.065 0.000 1.280 18 Y CB 1.749 40.222 38.460 0.022 0.000 1.104 18 Y HN 0.761 nan 8.280 nan 0.000 0.486 19 A N 4.326 127.244 122.820 0.162 0.000 2.238 19 A HA 0.086 4.406 4.320 -0.001 0.000 0.208 19 A C -0.950 176.705 177.584 0.118 0.000 1.177 19 A CA 0.102 52.209 52.037 0.117 0.000 0.804 19 A CB -0.887 18.155 19.000 0.071 0.000 0.823 19 A HN 0.507 nan 8.150 nan 0.000 0.482 20 P HA -0.044 nan 4.420 nan 0.000 0.226 20 P C -0.184 177.247 177.300 0.219 0.000 1.153 20 P CA 0.535 63.746 63.100 0.186 0.000 0.777 20 P CB -0.122 31.669 31.700 0.151 0.000 0.794 21 E N 1.201 121.490 120.200 0.148 0.000 2.452 21 E HA 0.040 4.389 4.350 -0.001 0.000 0.261 21 E C 0.331 176.998 176.600 0.111 0.000 0.987 21 E CA 0.150 56.626 56.400 0.126 0.000 0.926 21 E CB -0.348 29.396 29.700 0.073 0.000 0.934 21 E HN 0.033 nan 8.360 nan 0.000 0.452 22 D N 2.287 122.755 120.400 0.113 0.000 2.401 22 D HA -0.040 4.600 4.640 -0.001 0.000 0.254 22 D C -0.027 176.240 176.300 -0.054 0.000 1.192 22 D CA 0.181 54.154 54.000 -0.045 0.000 0.885 22 D CB 0.498 41.343 40.800 0.075 0.000 1.147 22 D HN 0.301 nan 8.370 nan 0.000 0.478 23 R N 2.817 123.249 120.500 -0.114 0.000 2.543 23 R HA 0.305 4.644 4.340 -0.001 0.000 0.323 23 R C 1.194 177.403 176.300 -0.151 0.000 1.002 23 R CA 0.037 56.086 56.100 -0.085 0.000 1.106 23 R CB 0.349 30.616 30.300 -0.055 0.000 1.280 23 R HN 0.693 nan 8.270 nan 0.000 0.549 24 G N 1.961 110.600 108.800 -0.268 0.000 2.645 24 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.246 24 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.246 24 G C -0.027 174.584 174.900 -0.482 0.000 1.322 24 G CA -0.590 44.172 45.100 -0.564 0.000 0.898 24 G HN 0.220 nan 8.290 nan 0.000 0.573 25 I N 0.571 120.919 120.570 -0.370 0.000 2.517 25 I HA 0.417 4.586 4.170 -0.001 0.000 0.285 25 I C 0.811 176.857 176.117 -0.119 0.000 1.106 25 I CA 0.200 61.382 61.300 -0.197 0.000 1.402 25 I CB 0.222 38.133 38.000 -0.147 0.000 1.399 25 I HN 0.715 nan 8.210 nan 0.000 0.535 26 C N 6.029 125.283 119.300 -0.076 0.000 3.239 26 C HA 0.414 4.873 4.460 -0.001 0.000 0.329 26 C C -1.180 173.789 174.990 -0.035 0.000 1.252 26 C CA -0.693 58.293 59.018 -0.054 0.000 1.323 26 C CB 1.851 29.558 27.740 -0.055 0.000 1.663 26 C HN 0.711 nan 8.230 nan 0.000 0.487 27 D N 1.788 122.168 120.400 -0.033 0.000 2.277 27 D HA 0.635 5.275 4.640 -0.001 0.000 0.250 27 D C -0.783 175.499 176.300 -0.030 0.000 1.032 27 D CA -0.071 53.910 54.000 -0.031 0.000 0.947 27 D CB 1.911 42.691 40.800 -0.033 0.000 1.159 27 D HN 0.373 nan 8.370 nan 0.000 0.460 28 V N 1.782 121.674 119.914 -0.036 0.000 2.525 28 V HA 0.293 4.413 4.120 -0.001 0.000 0.299 28 V C -0.672 175.397 176.094 -0.041 0.000 1.034 28 V CA -0.844 61.433 62.300 -0.038 0.000 0.863 28 V CB 1.886 33.682 31.823 -0.045 0.000 0.999 28 V HN 0.304 nan 8.190 nan 0.000 0.423 29 L N 6.387 127.595 121.223 -0.024 0.000 2.307 29 L HA 0.823 5.162 4.340 -0.001 0.000 0.284 29 L C -0.616 176.265 176.870 0.019 0.000 1.023 29 L CA 0.052 54.887 54.840 -0.007 0.000 0.810 29 L CB 1.801 43.853 42.059 -0.012 0.000 1.231 29 L HN 0.455 nan 8.230 nan 0.000 0.423 30 V N 4.150 124.091 119.914 0.044 0.000 2.680 30 V HA 0.969 5.088 4.120 -0.001 0.000 0.309 30 V C -0.364 175.809 176.094 0.132 0.000 1.052 30 V CA -0.256 62.077 62.300 0.055 0.000 0.908 30 V CB 1.534 33.353 31.823 -0.006 0.000 1.001 30 V HN 1.000 nan 8.190 nan 0.000 0.431 31 A N 2.875 125.751 122.820 0.092 0.000 2.517 31 A HA 0.702 5.022 4.320 -0.001 0.000 0.297 31 A C -0.022 177.549 177.584 -0.021 0.000 1.050 31 A CA -0.535 51.524 52.037 0.035 0.000 0.694 31 A CB 0.798 19.884 19.000 0.145 0.000 1.277 31 A HN 1.071 nan 8.150 nan 0.000 0.400 32 N N 0.876 119.524 118.700 -0.088 0.000 2.727 32 N HA -0.190 4.549 4.740 -0.001 0.000 0.249 32 N C 1.004 176.502 175.510 -0.019 0.000 1.048 32 N CA 1.974 54.987 53.050 -0.061 0.000 0.714 32 N CB -0.842 37.613 38.487 -0.053 0.000 0.959 32 N HN 2.329 nan 8.380 nan 0.000 0.544 33 G N -1.891 106.906 108.800 -0.006 0.000 2.189 33 G HA2 -0.382 3.577 3.960 -0.001 0.000 0.267 33 G HA3 -0.382 3.577 3.960 -0.001 0.000 0.267 33 G C 0.053 174.967 174.900 0.023 0.000 0.975 33 G CA 0.927 46.037 45.100 0.015 0.000 0.644 33 G HN 0.344 nan 8.290 nan 0.000 0.537 34 K N -0.116 120.296 120.400 0.021 0.000 2.208 34 K HA 0.639 4.959 4.320 -0.001 0.000 0.247 34 K C 0.409 177.027 176.600 0.028 0.000 0.953 34 K CA -1.125 55.179 56.287 0.028 0.000 0.837 34 K CB 1.674 34.191 32.500 0.029 0.000 1.131 34 K HN 0.192 nan 8.250 nan 0.000 0.431 35 I N 3.587 124.172 120.570 0.026 0.000 2.452 35 I HA 0.055 4.225 4.170 -0.001 0.000 0.287 35 I C 1.594 177.727 176.117 0.027 0.000 1.079 35 I CA 0.123 61.435 61.300 0.019 0.000 1.387 35 I CB 0.294 38.304 38.000 0.016 0.000 1.404 35 I HN 0.587 nan 8.210 nan 0.000 0.522 36 I N 3.371 123.960 120.570 0.032 0.000 4.070 36 I HA 0.592 4.761 4.170 -0.001 0.000 0.328 36 I C 0.619 176.748 176.117 0.019 0.000 1.298 36 I CA -0.031 61.290 61.300 0.036 0.000 1.173 36 I CB 0.452 38.490 38.000 0.063 0.000 1.051 36 I HN 0.485 nan 8.210 nan 0.000 0.409 37 A N 0.737 123.562 122.820 0.008 0.000 2.566 37 A HA 0.747 5.067 4.320 -0.001 0.000 0.297 37 A C -1.319 176.259 177.584 -0.009 0.000 1.059 37 A CA -0.421 51.613 52.037 -0.004 0.000 0.691 37 A CB 1.802 20.793 19.000 -0.015 0.000 1.282 37 A HN -0.030 nan 8.150 nan 0.000 0.401 38 V N 0.941 120.849 119.914 -0.010 0.000 2.488 38 V HA 0.847 4.966 4.120 -0.001 0.000 0.293 38 V C 0.126 176.210 176.094 -0.018 0.000 1.027 38 V CA 0.386 62.679 62.300 -0.013 0.000 0.862 38 V CB 0.846 32.666 31.823 -0.005 0.000 1.008 38 V HN 2.059 nan 8.190 nan 0.000 0.428 39 A N 3.346 126.152 122.820 -0.024 0.000 2.586 39 A HA 0.841 5.160 4.320 -0.001 0.000 0.291 39 A C -0.376 177.187 177.584 -0.034 0.000 1.062 39 A CA -0.368 51.653 52.037 -0.028 0.000 0.666 39 A CB 1.487 20.471 19.000 -0.027 0.000 1.281 39 A HN 0.996 nan 8.150 nan 0.000 0.421 40 S N 1.603 117.281 115.700 -0.037 0.000 2.565 40 S HA 0.491 4.960 4.470 -0.001 0.000 0.274 40 S C 0.086 174.664 174.600 -0.037 0.000 1.309 40 S CA -0.143 58.032 58.200 -0.041 0.000 1.043 40 S CB 0.295 63.468 63.200 -0.045 0.000 0.939 40 S HN 1.232 nan 8.310 nan 0.000 0.504 41 N N 0.084 118.762 118.700 -0.036 0.000 2.708 41 N HA -0.148 4.592 4.740 -0.001 0.000 0.255 41 N C -0.841 174.647 175.510 -0.036 0.000 1.046 41 N CA 0.510 53.540 53.050 -0.034 0.000 0.715 41 N CB -1.616 36.852 38.487 -0.032 0.000 0.895 41 N HN 0.758 nan 8.380 nan 0.000 0.545 42 I N 1.131 121.678 120.570 -0.039 0.000 2.529 42 I HA 0.143 4.313 4.170 -0.001 0.000 0.284 42 I C -1.510 174.578 176.117 -0.048 0.000 1.082 42 I CA -1.540 59.733 61.300 -0.045 0.000 1.406 42 I CB 0.527 38.499 38.000 -0.048 0.000 1.405 42 I HN -0.112 nan 8.210 nan 0.000 0.548 43 P HA 0.044 nan 4.420 nan 0.000 0.271 43 P C 0.508 177.767 177.300 -0.067 0.000 1.226 43 P CA -0.213 62.853 63.100 -0.057 0.000 0.765 43 P CB 0.745 32.408 31.700 -0.061 0.000 0.835 44 S N 1.222 116.889 115.700 -0.055 0.000 2.500 44 S HA -0.165 4.305 4.470 -0.001 0.000 0.239 44 S C 0.947 175.506 174.600 -0.070 0.000 0.989 44 S CA 1.151 59.319 58.200 -0.053 0.000 0.951 44 S CB -0.647 62.533 63.200 -0.034 0.000 0.759 44 S HN 0.559 nan 8.310 nan 0.000 0.523 45 D N -0.098 120.254 120.400 -0.080 0.000 2.433 45 D HA 0.164 4.803 4.640 -0.001 0.000 0.211 45 D C 1.258 177.476 176.300 -0.137 0.000 1.114 45 D CA -0.480 53.463 54.000 -0.096 0.000 0.837 45 D CB -0.536 40.222 40.800 -0.069 0.000 0.984 45 D HN 0.341 nan 8.370 nan 0.000 0.505 46 I N 1.447 121.929 120.570 -0.145 0.000 2.315 46 I HA -0.158 4.012 4.170 -0.001 0.000 0.251 46 I C 0.397 176.353 176.117 -0.269 0.000 1.125 46 I CA 0.907 62.102 61.300 -0.173 0.000 1.392 46 I CB 0.032 37.941 38.000 -0.151 0.000 1.065 46 I HN 0.115 nan 8.210 nan 0.000 0.424 47 V N -2.893 116.801 119.914 -0.366 0.000 2.925 47 V HA 0.659 4.778 4.120 -0.001 0.000 0.311 47 V C -2.733 173.084 176.094 -0.462 0.000 1.104 47 V CA -1.803 60.134 62.300 -0.604 0.000 0.954 47 V CB 1.212 32.272 31.823 -1.270 0.000 1.022 47 V HN -0.092 nan 8.190 nan 0.000 0.427 48 P HA 0.318 nan 4.420 nan 0.000 0.274 48 P C -0.221 177.099 177.300 0.032 0.000 1.237 48 P CA 0.028 62.981 63.100 -0.245 0.000 0.793 48 P CB -0.001 31.342 31.700 -0.595 0.000 0.977 49 N N -2.594 116.179 118.700 0.122 0.000 2.716 49 N HA -0.187 4.553 4.740 -0.001 0.000 0.250 49 N C -0.321 175.324 175.510 0.225 0.000 1.033 49 N CA 0.202 53.373 53.050 0.200 0.000 0.727 49 N CB -1.699 36.957 38.487 0.281 0.000 0.950 49 N HN 0.452 nan 8.380 nan 0.000 0.541 50 C N 1.005 120.384 119.300 0.131 0.000 2.307 50 C HA 0.347 4.807 4.460 -0.001 0.000 0.340 50 C C 0.833 175.877 174.990 0.090 0.000 1.275 50 C CA -0.270 58.824 59.018 0.126 0.000 1.811 50 C CB 0.057 27.801 27.740 0.007 0.000 2.372 50 C HN 0.376 nan 8.230 nan 0.000 0.531 51 T N 5.950 120.567 114.554 0.105 0.000 2.729 51 T HA 0.337 4.687 4.350 -0.001 0.000 0.296 51 T C -0.099 174.633 174.700 0.053 0.000 0.928 51 T CA -0.110 62.035 62.100 0.075 0.000 1.045 51 T CB 0.503 69.421 68.868 0.084 0.000 0.902 51 T HN 0.568 nan 8.240 nan 0.000 0.500 52 V N 4.989 124.925 119.914 0.037 0.000 2.407 52 V HA 0.416 4.535 4.120 -0.001 0.000 0.278 52 V C 0.040 176.151 176.094 0.028 0.000 1.037 52 V CA -0.681 61.632 62.300 0.021 0.000 0.900 52 V CB 1.568 33.397 31.823 0.009 0.000 0.983 52 V HN 0.640 nan 8.190 nan 0.000 0.459 53 V N 3.562 123.490 119.914 0.023 0.000 2.444 53 V HA 0.341 4.461 4.120 -0.001 0.000 0.294 53 V C -0.428 175.681 176.094 0.025 0.000 1.022 53 V CA -0.659 61.663 62.300 0.037 0.000 0.850 53 V CB 1.829 33.689 31.823 0.061 0.000 0.992 53 V HN 0.954 nan 8.190 nan 0.000 0.426 54 D N 4.686 125.104 120.400 0.029 0.000 2.339 54 D HA 0.322 4.962 4.640 -0.001 0.000 0.241 54 D C 0.346 176.665 176.300 0.032 0.000 1.183 54 D CA 0.001 54.015 54.000 0.024 0.000 0.859 54 D CB 1.018 41.831 40.800 0.021 0.000 1.067 54 D HN 0.479 nan 8.370 nan 0.000 0.484 55 L N 2.909 124.151 121.223 0.031 0.000 2.872 55 L HA 0.160 4.499 4.340 -0.001 0.000 0.245 55 L C 0.695 177.591 176.870 0.043 0.000 1.211 55 L CA -0.466 54.400 54.840 0.043 0.000 1.013 55 L CB -0.202 41.883 42.059 0.045 0.000 1.326 55 L HN 0.365 nan 8.230 nan 0.000 0.525 56 S N -0.168 115.552 115.700 0.033 0.000 2.558 56 S HA 0.273 4.743 4.470 -0.001 0.000 0.288 56 S C 1.398 176.024 174.600 0.044 0.000 1.318 56 S CA 0.366 58.585 58.200 0.033 0.000 1.056 56 S CB 1.075 64.288 63.200 0.021 0.000 0.853 56 S HN 0.593 nan 8.310 nan 0.000 0.505 57 G N 1.490 110.322 108.800 0.053 0.000 2.179 57 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.260 57 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.260 57 G C 0.028 174.975 174.900 0.078 0.000 0.977 57 G CA 0.418 45.556 45.100 0.063 0.000 0.641 57 G HN 0.820 nan 8.290 nan 0.000 0.533 58 Q N -0.605 119.246 119.800 0.085 0.000 2.333 58 Q HA 0.780 5.120 4.340 -0.001 0.000 0.266 58 Q C 0.060 176.138 176.000 0.131 0.000 1.053 58 Q CA -0.729 55.130 55.803 0.093 0.000 0.890 58 Q CB 1.727 30.511 28.738 0.078 0.000 1.337 58 Q HN 0.371 nan 8.270 nan 0.000 0.474 59 I N 0.923 121.571 120.570 0.131 0.000 2.493 59 I HA 0.310 4.479 4.170 -0.001 0.000 0.298 59 I C -0.875 175.334 176.117 0.153 0.000 0.998 59 I CA -0.834 60.575 61.300 0.182 0.000 1.137 59 I CB 1.619 39.713 38.000 0.157 0.000 1.310 59 I HN 0.271 nan 8.210 nan 0.000 0.445 60 L N 7.385 128.717 121.223 0.182 0.000 2.365 60 L HA 0.762 5.102 4.340 -0.001 0.000 0.273 60 L C -0.656 176.313 176.870 0.165 0.000 1.000 60 L CA -0.179 54.739 54.840 0.131 0.000 0.819 60 L CB 1.343 43.453 42.059 0.085 0.000 1.284 60 L HN 0.902 nan 8.230 nan 0.000 0.418 61 C N 2.077 121.448 119.300 0.117 0.000 3.332 61 C HA 0.824 5.284 4.460 -0.001 0.000 0.329 61 C C -2.801 172.240 174.990 0.086 0.000 1.434 61 C CA -1.789 57.309 59.018 0.132 0.000 1.314 61 C CB 1.500 29.333 27.740 0.155 0.000 1.664 61 C HN 0.676 nan 8.230 nan 0.000 0.457 62 P HA 0.381 nan 4.420 nan 0.000 0.271 62 P C 0.315 177.651 177.300 0.060 0.000 1.218 62 P CA 0.827 63.983 63.100 0.093 0.000 0.780 62 P CB 0.263 32.038 31.700 0.125 0.000 0.901 63 G N 1.713 110.535 108.800 0.036 0.000 2.544 63 G HA2 0.271 4.230 3.960 -0.001 0.000 0.242 63 G HA3 0.271 4.230 3.960 -0.001 0.000 0.242 63 G C -0.601 174.373 174.900 0.124 0.000 1.247 63 G CA -0.273 44.807 45.100 -0.033 0.000 0.840 63 G HN 0.222 nan 8.290 nan 0.000 0.578 64 F N -0.321 119.667 119.950 0.062 0.000 2.410 64 F HA 0.415 4.942 4.527 -0.000 0.000 0.334 64 F C 0.896 176.742 175.800 0.076 0.000 1.134 64 F CA -1.179 56.859 58.000 0.064 0.000 1.227 64 F CB 0.917 39.952 39.000 0.059 0.000 1.194 64 F HN 0.123 nan 8.300 nan 0.000 0.571 65 I N 2.226 122.971 120.570 0.292 0.000 2.382 65 I HA 0.174 4.344 4.170 -0.001 0.000 0.285 65 I C -0.690 175.531 176.117 0.173 0.000 1.007 65 I CA -0.602 60.821 61.300 0.204 0.000 1.142 65 I CB 1.319 39.412 38.000 0.155 0.000 1.289 65 I HN 0.336 nan 8.210 nan 0.000 0.453 66 D N 6.317 126.829 120.400 0.187 0.000 2.443 66 D HA 0.109 4.748 4.640 -0.001 0.000 0.221 66 D C 0.773 177.184 176.300 0.185 0.000 1.097 66 D CA -0.335 53.776 54.000 0.186 0.000 0.865 66 D CB 1.125 42.067 40.800 0.237 0.000 1.034 66 D HN 0.606 nan 8.370 nan 0.000 0.511 67 Q N 2.125 122.023 119.800 0.164 0.000 2.322 67 Q HA -0.000 4.339 4.340 -0.001 0.000 0.203 67 Q C -0.270 175.834 176.000 0.174 0.000 0.923 67 Q CA 0.277 56.173 55.803 0.154 0.000 0.949 67 Q CB -0.035 28.782 28.738 0.132 0.000 1.039 67 Q HN 0.464 nan 8.270 nan 0.000 0.496 68 H N -0.200 118.927 119.070 0.094 0.000 2.607 68 H HA 0.481 5.037 4.556 -0.001 0.000 0.248 68 H C -1.806 173.566 175.328 0.074 0.000 1.355 68 H CA -0.639 55.447 56.048 0.062 0.000 1.524 68 H CB 0.870 30.673 29.762 0.069 0.000 1.563 68 H HN 0.050 nan 8.280 nan 0.000 0.509 69 V N 3.775 123.752 119.914 0.106 0.000 2.638 69 V HA 0.137 4.257 4.120 -0.001 0.000 0.306 69 V C -0.025 176.041 176.094 -0.047 0.000 1.052 69 V CA -0.929 61.471 62.300 0.165 0.000 0.885 69 V CB 1.782 33.787 31.823 0.304 0.000 0.999 69 V HN 0.765 nan 8.190 nan 0.000 0.424 70 H N 5.525 124.710 119.070 0.191 0.000 2.855 70 H HA 0.273 4.829 4.556 -0.001 0.000 0.238 70 H C 1.106 176.508 175.328 0.124 0.000 1.847 70 H CA -0.070 56.052 56.048 0.123 0.000 1.368 70 H CB 0.508 30.328 29.762 0.097 0.000 1.758 70 H HN 0.557 nan 8.280 nan 0.000 0.546 71 L N 1.397 122.709 121.223 0.148 0.000 2.013 71 L HA -0.246 4.093 4.340 -0.001 0.000 0.212 71 L C 2.244 179.187 176.870 0.122 0.000 1.073 71 L CA 1.715 56.634 54.840 0.132 0.000 0.753 71 L CB -0.274 41.833 42.059 0.079 0.000 0.890 71 L HN 0.521 nan 8.230 nan 0.000 0.432 72 I N -2.845 117.790 120.570 0.109 0.000 3.684 72 I HA 0.415 4.585 4.170 -0.001 0.000 0.304 72 I C 0.865 177.035 176.117 0.088 0.000 1.278 72 I CA 0.245 61.598 61.300 0.089 0.000 1.272 72 I CB -0.407 37.636 38.000 0.072 0.000 1.029 72 I HN 0.178 nan 8.210 nan 0.000 0.458 73 G N -0.029 108.841 108.800 0.117 0.000 2.515 73 G HA2 0.312 4.272 3.960 -0.001 0.000 0.686 73 G HA3 0.312 4.272 3.960 -0.001 0.000 0.686 73 G C -0.550 174.392 174.900 0.070 0.000 1.274 73 G CA -0.653 44.499 45.100 0.086 0.000 0.874 73 G HN 0.680 nan 8.290 nan 0.000 0.631 74 G N -1.475 107.312 108.800 -0.022 0.000 3.039 74 G HA2 1.042 5.002 3.960 -0.001 0.000 0.202 74 G HA3 1.042 5.002 3.960 -0.001 0.000 0.202 74 G C 1.082 175.892 174.900 -0.149 0.000 1.151 74 G CA 1.269 46.278 45.100 -0.153 0.000 0.836 74 G HN 2.791 nan 8.290 nan 0.000 0.598 75 G N -1.424 107.253 108.800 -0.205 0.000 2.598 75 G HA2 0.365 4.324 3.960 -0.001 0.000 0.244 75 G HA3 0.365 4.324 3.960 -0.001 0.000 0.244 75 G C 1.425 176.251 174.900 -0.123 0.000 1.302 75 G CA 1.497 46.512 45.100 -0.141 0.000 0.903 75 G HN 2.692 nan 8.290 nan 0.000 0.575 76 G N -2.656 106.093 108.800 -0.085 0.000 2.175 76 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.244 76 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.244 76 G C 0.932 175.793 174.900 -0.065 0.000 0.982 76 G CA 1.152 46.209 45.100 -0.072 0.000 0.641 76 G HN 1.444 nan 8.290 nan 0.000 0.527 77 Q N -0.040 119.720 119.800 -0.066 0.000 2.369 77 Q HA 0.519 4.859 4.340 -0.001 0.000 0.206 77 Q C 1.951 177.941 176.000 -0.017 0.000 0.963 77 Q CA 1.501 57.281 55.803 -0.039 0.000 0.894 77 Q CB 0.213 28.937 28.738 -0.024 0.000 0.965 77 Q HN 1.078 nan 8.270 nan 0.000 0.475 78 A N 0.053 122.859 122.820 -0.022 0.000 2.855 78 A HA 0.633 4.952 4.320 -0.001 0.000 0.301 78 A C 0.320 177.893 177.584 -0.018 0.000 1.076 78 A CA 0.054 52.082 52.037 -0.015 0.000 1.004 78 A CB -0.389 18.602 19.000 -0.014 0.000 1.152 78 A HN 0.225 nan 8.150 nan 0.000 0.531 79 G N 0.351 109.138 108.800 -0.021 0.000 2.746 79 G HA2 -0.083 3.877 3.960 -0.001 0.000 0.685 79 G HA3 -0.083 3.877 3.960 -0.001 0.000 0.685 79 G C -1.520 173.366 174.900 -0.024 0.000 1.350 79 G CA -0.332 44.756 45.100 -0.020 0.000 0.837 79 G HN 0.127 nan 8.290 nan 0.000 0.564 80 P HA -0.169 nan 4.420 nan 0.000 0.217 80 P C 2.143 179.432 177.300 -0.019 0.000 1.151 80 P CA 3.090 66.179 63.100 -0.020 0.000 0.849 80 P CB -0.278 31.413 31.700 -0.015 0.000 0.787 81 T N -4.094 110.449 114.554 -0.017 0.000 3.035 81 T HA -0.090 4.260 4.350 -0.001 0.000 0.268 81 T C 1.475 176.163 174.700 -0.019 0.000 1.109 81 T CA 1.612 63.703 62.100 -0.016 0.000 1.119 81 T CB -1.630 67.230 68.868 -0.013 0.000 0.900 81 T HN 0.248 nan 8.240 nan 0.000 0.503 82 T N -0.715 113.824 114.554 -0.025 0.000 3.219 82 T HA 0.245 4.595 4.350 -0.001 0.000 0.249 82 T C 0.678 175.355 174.700 -0.039 0.000 1.099 82 T CA -0.621 61.461 62.100 -0.031 0.000 0.988 82 T CB -0.492 68.356 68.868 -0.034 0.000 0.999 82 T HN 0.339 nan 8.240 nan 0.000 0.550 83 R N 3.217 123.697 120.500 -0.033 0.000 2.296 83 R HA 0.316 4.655 4.340 -0.001 0.000 0.323 83 R C 0.710 176.996 176.300 -0.024 0.000 1.067 83 R CA -0.164 55.915 56.100 -0.035 0.000 0.946 83 R CB 0.489 30.774 30.300 -0.026 0.000 0.991 83 R HN 0.498 nan 8.270 nan 0.000 0.448 84 T N 1.343 115.881 114.554 -0.028 0.000 2.868 84 T HA 0.331 4.681 4.350 -0.001 0.000 0.292 84 T C -1.947 172.761 174.700 0.013 0.000 1.028 84 T CA -1.620 60.475 62.100 -0.009 0.000 1.059 84 T CB 1.001 69.861 68.868 -0.014 0.000 0.991 84 T HN 0.275 nan 8.240 nan 0.000 0.531 85 P HA 0.239 nan 4.420 nan 0.000 0.276 85 P C -0.005 177.333 177.300 0.063 0.000 1.252 85 P CA -0.697 62.426 63.100 0.038 0.000 0.802 85 P CB 0.373 32.095 31.700 0.036 0.000 1.035 86 E N -0.199 120.041 120.200 0.066 0.000 2.425 86 E HA 0.161 4.510 4.350 -0.001 0.000 0.258 86 E C -0.622 176.042 176.600 0.107 0.000 1.151 86 E CA -0.757 55.694 56.400 0.087 0.000 0.958 86 E CB 0.142 29.887 29.700 0.075 0.000 0.968 86 E HN 0.046 nan 8.360 nan 0.000 0.451 87 V N 1.299 121.290 119.914 0.130 0.000 2.614 87 V HA 0.338 4.457 4.120 -0.001 0.000 0.291 87 V C 0.397 176.546 176.094 0.093 0.000 1.049 87 V CA 0.029 62.420 62.300 0.152 0.000 1.038 87 V CB 0.843 32.781 31.823 0.191 0.000 0.980 87 V HN 0.797 nan 8.190 nan 0.000 0.481 88 A N 3.962 126.833 122.820 0.084 0.000 2.310 88 A HA 0.559 4.879 4.320 -0.001 0.000 0.299 88 A C 0.787 178.370 177.584 -0.002 0.000 1.147 88 A CA -0.515 51.550 52.037 0.047 0.000 0.818 88 A CB 0.702 19.734 19.000 0.054 0.000 1.096 88 A HN 0.886 nan 8.150 nan 0.000 0.495 89 L N 3.189 124.401 121.223 -0.019 0.000 1.997 89 L HA -0.250 4.090 4.340 -0.001 0.000 0.216 89 L C 2.714 179.542 176.870 -0.069 0.000 1.074 89 L CA 3.360 58.167 54.840 -0.054 0.000 0.763 89 L CB -0.743 41.286 42.059 -0.051 0.000 0.890 89 L HN 0.912 nan 8.230 nan 0.000 0.434 90 S N -0.977 114.697 115.700 -0.043 0.000 2.419 90 S HA -0.202 4.267 4.470 -0.001 0.000 0.235 90 S C 2.066 176.641 174.600 -0.040 0.000 1.019 90 S CA 0.853 59.029 58.200 -0.041 0.000 0.982 90 S CB -0.676 62.511 63.200 -0.022 0.000 0.789 90 S HN 0.524 nan 8.310 nan 0.000 0.490 91 R N 0.791 121.274 120.500 -0.029 0.000 2.148 91 R HA 0.167 4.507 4.340 -0.001 0.000 0.227 91 R C 2.205 178.409 176.300 -0.161 0.000 1.103 91 R CA 0.959 57.057 56.100 -0.003 0.000 0.983 91 R CB -0.784 29.585 30.300 0.115 0.000 0.874 91 R HN 0.489 nan 8.270 nan 0.000 0.451 92 L N 0.026 121.075 121.223 -0.289 0.000 2.084 92 L HA -0.094 4.245 4.340 -0.001 0.000 0.202 92 L C 2.706 179.457 176.870 -0.198 0.000 1.074 92 L CA 1.665 56.251 54.840 -0.423 0.000 0.757 92 L CB -0.863 40.968 42.059 -0.380 0.000 0.918 92 L HN 0.231 nan 8.230 nan 0.000 0.444 93 T N -2.805 111.668 114.554 -0.135 0.000 2.788 93 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 93 T C 1.569 176.221 174.700 -0.079 0.000 1.044 93 T CA 1.319 63.360 62.100 -0.099 0.000 1.139 93 T CB -0.425 68.388 68.868 -0.091 0.000 0.867 93 T HN 0.329 nan 8.240 nan 0.000 0.454 94 E N 1.576 121.742 120.200 -0.056 0.000 2.265 94 E HA 0.050 4.399 4.350 -0.001 0.000 0.196 94 E C 2.136 178.738 176.600 0.003 0.000 0.996 94 E CA 0.860 57.246 56.400 -0.025 0.000 0.832 94 E CB -0.241 29.457 29.700 -0.003 0.000 0.756 94 E HN 0.738 nan 8.360 nan 0.000 0.491 95 A N -0.030 122.801 122.820 0.019 0.000 2.307 95 A HA 0.337 4.657 4.320 -0.001 0.000 0.218 95 A C 1.610 179.256 177.584 0.103 0.000 1.228 95 A CA 0.635 52.734 52.037 0.104 0.000 0.857 95 A CB -0.094 19.021 19.000 0.192 0.000 0.897 95 A HN 0.300 nan 8.150 nan 0.000 0.495 96 G N -1.475 107.288 108.800 -0.062 0.000 2.176 96 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.253 96 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.253 96 G C 0.160 174.927 174.900 -0.222 0.000 0.979 96 G CA 0.119 45.034 45.100 -0.308 0.000 0.641 96 G HN 0.815 nan 8.290 nan 0.000 0.530 97 V N 1.967 121.877 119.914 -0.006 0.000 2.455 97 V HA 0.515 4.634 4.120 -0.001 0.000 0.273 97 V C 1.461 177.554 176.094 -0.001 0.000 1.045 97 V CA 0.971 63.308 62.300 0.062 0.000 0.976 97 V CB 1.057 32.903 31.823 0.038 0.000 0.993 97 V HN 0.664 nan 8.190 nan 0.000 0.475 98 T N -0.239 114.341 114.554 0.042 0.000 2.975 98 T HA 0.230 4.580 4.350 -0.001 0.000 0.257 98 T C 0.589 175.336 174.700 0.079 0.000 1.003 98 T CA -0.104 62.016 62.100 0.034 0.000 0.932 98 T CB 0.410 69.298 68.868 0.034 0.000 1.087 98 T HN 0.460 nan 8.240 nan 0.000 0.512 99 S N 0.330 116.112 115.700 0.137 0.000 2.547 99 S HA 0.790 5.260 4.470 -0.001 0.000 0.281 99 S C -1.405 173.331 174.600 0.226 0.000 1.118 99 S CA -0.629 57.708 58.200 0.229 0.000 0.947 99 S CB 2.485 65.887 63.200 0.336 0.000 1.053 99 S HN 0.289 nan 8.310 nan 0.000 0.482 100 V N 2.939 123.011 119.914 0.263 0.000 3.147 100 V HA 0.726 4.846 4.120 -0.001 0.000 0.306 100 V C -1.611 174.654 176.094 0.286 0.000 1.209 100 V CA -0.482 61.947 62.300 0.216 0.000 1.023 100 V CB 2.359 34.250 31.823 0.113 0.000 1.059 100 V HN 0.657 nan 8.190 nan 0.000 0.435 101 V N 4.144 124.186 119.914 0.214 0.000 2.407 101 V HA 0.746 4.866 4.120 -0.001 0.000 0.291 101 V C 0.613 176.762 176.094 0.092 0.000 1.018 101 V CA 0.066 62.482 62.300 0.193 0.000 0.842 101 V CB 1.367 33.273 31.823 0.139 0.000 0.996 101 V HN 1.061 nan 8.190 nan 0.000 0.426 102 G N 4.376 113.218 108.800 0.070 0.000 2.451 102 G HA2 0.767 4.727 3.960 -0.001 0.000 0.303 102 G HA3 0.767 4.727 3.960 -0.001 0.000 0.303 102 G C -1.049 173.814 174.900 -0.061 0.000 1.166 102 G CA -0.366 44.734 45.100 0.001 0.000 0.884 102 G HN 0.791 nan 8.290 nan 0.000 0.514 103 L N -1.359 119.772 121.223 -0.152 0.000 2.720 103 L HA 0.701 5.040 4.340 -0.001 0.000 0.261 103 L C -0.742 176.055 176.870 -0.121 0.000 1.046 103 L CA -1.187 53.554 54.840 -0.164 0.000 0.886 103 L CB 0.964 42.862 42.059 -0.269 0.000 1.493 103 L HN 0.419 nan 8.230 nan 0.000 0.407 104 L N -0.425 120.790 121.223 -0.013 0.000 2.331 104 L HA 0.968 5.307 4.340 -0.001 0.000 0.268 104 L C 0.615 177.584 176.870 0.165 0.000 1.015 104 L CA -0.155 54.738 54.840 0.089 0.000 0.807 104 L CB 1.595 43.667 42.059 0.022 0.000 1.293 104 L HN 1.002 nan 8.230 nan 0.000 0.451 105 G N -0.913 107.935 108.800 0.080 0.000 3.392 105 G HA2 0.193 4.152 3.960 -0.001 0.000 0.185 105 G HA3 0.193 4.152 3.960 -0.001 0.000 0.185 105 G C 0.662 175.045 174.900 -0.862 0.000 1.206 105 G CA 0.429 45.419 45.100 -0.183 0.000 0.776 105 G HN 0.494 nan 8.290 nan 0.000 0.697 106 T N 0.682 114.406 114.554 -1.382 0.000 2.665 106 T HA -0.080 4.269 4.350 -0.001 0.000 0.268 106 T C 0.730 175.161 174.700 -0.449 0.000 1.035 106 T CA 1.734 63.162 62.100 -1.121 0.000 1.151 106 T CB -0.237 68.209 68.868 -0.703 0.000 0.862 106 T HN 0.376 nan 8.240 nan 0.000 0.438 107 D N 1.481 121.687 120.400 -0.324 0.000 2.347 107 D HA 0.243 4.883 4.640 -0.001 0.000 0.235 107 D C 0.207 176.397 176.300 -0.182 0.000 1.149 107 D CA -0.358 53.522 54.000 -0.201 0.000 0.850 107 D CB 0.593 41.296 40.800 -0.162 0.000 1.061 107 D HN 0.229 nan 8.370 nan 0.000 0.487 108 S N 3.244 118.842 115.700 -0.171 0.000 2.843 108 S HA 0.211 4.681 4.470 -0.001 0.000 0.249 108 S C 1.107 175.548 174.600 -0.265 0.000 1.047 108 S CA -0.563 57.516 58.200 -0.201 0.000 1.042 108 S CB -0.035 63.088 63.200 -0.128 0.000 0.936 108 S HN 0.450 nan 8.310 nan 0.000 0.531 109 I N 1.946 122.375 120.570 -0.235 0.000 3.136 109 I HA 0.088 4.257 4.170 -0.001 0.000 0.262 109 I C 2.373 178.361 176.117 -0.215 0.000 1.132 109 I CA 1.182 62.369 61.300 -0.188 0.000 1.450 109 I CB -0.858 37.082 38.000 -0.101 0.000 1.315 109 I HN 0.564 nan 8.210 nan 0.000 0.460 110 S N 0.908 116.509 115.700 -0.165 0.000 2.575 110 S HA 0.194 4.663 4.470 -0.001 0.000 0.215 110 S C 0.787 175.312 174.600 -0.126 0.000 0.966 110 S CA -0.257 57.905 58.200 -0.063 0.000 0.911 110 S CB 0.141 63.328 63.200 -0.022 0.000 0.780 110 S HN 0.138 nan 8.310 nan 0.000 0.514 111 R N 1.649 121.943 120.500 -0.344 0.000 2.494 111 R HA 0.540 4.879 4.340 -0.001 0.000 0.305 111 R C -1.543 174.445 176.300 -0.520 0.000 0.959 111 R CA -0.366 55.583 56.100 -0.250 0.000 0.864 111 R CB 0.994 31.219 30.300 -0.124 0.000 1.159 111 R HN 0.436 nan 8.270 nan 0.000 0.446 112 H N 1.667 120.733 119.070 -0.007 0.000 2.572 112 H HA 0.296 4.851 4.556 -0.001 0.000 0.359 112 H C -1.653 173.675 175.328 0.000 0.000 1.134 112 H CA -1.884 54.160 56.048 -0.008 0.000 1.187 112 H CB 1.665 31.420 29.762 -0.011 0.000 1.597 112 H HN 0.229 nan 8.280 nan 0.000 0.524 113 P HA -0.140 nan 4.420 nan 0.000 0.218 113 P C 0.638 177.975 177.300 0.063 0.000 1.149 113 P CA 1.138 64.274 63.100 0.060 0.000 0.817 113 P CB 0.509 32.234 31.700 0.042 0.000 0.785 114 E N -0.288 119.959 120.200 0.077 0.000 2.110 114 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 114 E C 2.169 178.795 176.600 0.043 0.000 0.988 114 E CA 1.413 57.841 56.400 0.046 0.000 0.804 114 E CB -0.806 28.909 29.700 0.025 0.000 0.745 114 E HN 0.205 nan 8.360 nan 0.000 0.458 115 S N 0.583 116.325 115.700 0.070 0.000 2.368 115 S HA -0.111 4.359 4.470 -0.001 0.000 0.224 115 S C 1.849 176.479 174.600 0.050 0.000 1.029 115 S CA 0.768 59.003 58.200 0.059 0.000 0.988 115 S CB -0.262 62.993 63.200 0.091 0.000 0.838 115 S HN 0.168 nan 8.310 nan 0.000 0.462 116 L N 1.778 123.034 121.223 0.054 0.000 2.046 116 L HA 0.012 4.352 4.340 -0.001 0.000 0.208 116 L C 2.051 178.938 176.870 0.029 0.000 1.077 116 L CA 1.372 56.238 54.840 0.042 0.000 0.747 116 L CB -0.692 41.390 42.059 0.039 0.000 0.896 116 L HN 0.287 nan 8.230 nan 0.000 0.432 117 L N -0.093 121.146 121.223 0.026 0.000 2.083 117 L HA -0.075 4.264 4.340 -0.001 0.000 0.209 117 L C 2.439 179.310 176.870 0.002 0.000 1.083 117 L CA 2.062 56.910 54.840 0.014 0.000 0.752 117 L CB -1.025 41.043 42.059 0.015 0.000 0.899 117 L HN 0.275 nan 8.230 nan 0.000 0.433 118 A N -0.654 122.172 122.820 0.009 0.000 1.930 118 A HA -0.201 4.119 4.320 -0.001 0.000 0.217 118 A C 2.335 179.921 177.584 0.004 0.000 1.175 118 A CA 1.671 53.711 52.037 0.005 0.000 0.627 118 A CB -0.535 18.472 19.000 0.012 0.000 0.815 118 A HN 0.438 nan 8.150 nan 0.000 0.443 119 K N -0.301 120.107 120.400 0.014 0.000 2.097 119 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 119 K C 1.898 178.494 176.600 -0.006 0.000 1.050 119 K CA 2.098 58.394 56.287 0.016 0.000 0.938 119 K CB -0.763 31.757 32.500 0.033 0.000 0.718 119 K HN 0.361 nan 8.250 nan 0.000 0.442 120 T N 0.682 115.227 114.554 -0.015 0.000 2.684 120 T HA -0.109 4.241 4.350 -0.001 0.000 0.267 120 T C 1.750 176.398 174.700 -0.087 0.000 1.036 120 T CA 1.578 63.649 62.100 -0.049 0.000 1.148 120 T CB -0.173 68.670 68.868 -0.041 0.000 0.863 120 T HN 0.299 nan 8.240 nan 0.000 0.436 121 R N 0.935 121.394 120.500 -0.068 0.000 2.092 121 R HA 0.071 4.411 4.340 -0.001 0.000 0.231 121 R C 2.837 179.097 176.300 -0.067 0.000 1.119 121 R CA 1.152 57.206 56.100 -0.077 0.000 0.970 121 R CB -0.482 29.785 30.300 -0.055 0.000 0.864 121 R HN 0.354 nan 8.270 nan 0.000 0.440 122 A N 1.581 124.375 122.820 -0.043 0.000 1.883 122 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 122 A C 2.209 179.761 177.584 -0.054 0.000 1.186 122 A CA 1.265 53.281 52.037 -0.035 0.000 0.624 122 A CB -0.601 18.397 19.000 -0.004 0.000 0.822 122 A HN 0.174 nan 8.150 nan 0.000 0.444 123 L N -0.257 120.931 121.223 -0.059 0.000 2.083 123 L HA -0.202 4.138 4.340 -0.001 0.000 0.209 123 L C 2.365 179.177 176.870 -0.097 0.000 1.083 123 L CA 1.174 55.971 54.840 -0.071 0.000 0.752 123 L CB -0.645 41.375 42.059 -0.065 0.000 0.899 123 L HN 0.413 nan 8.230 nan 0.000 0.433 124 N N -0.060 118.564 118.700 -0.126 0.000 2.166 124 N HA -0.211 4.529 4.740 -0.001 0.000 0.186 124 N C 1.798 177.244 175.510 -0.107 0.000 1.019 124 N CA 1.293 54.253 53.050 -0.150 0.000 0.856 124 N CB 0.002 38.373 38.487 -0.193 0.000 0.993 124 N HN 0.445 nan 8.380 nan 0.000 0.426 125 E N 0.856 121.003 120.200 -0.089 0.000 2.152 125 E HA -0.082 4.268 4.350 -0.001 0.000 0.192 125 E C 1.199 177.757 176.600 -0.071 0.000 0.983 125 E CA 0.594 56.950 56.400 -0.073 0.000 0.818 125 E CB 0.159 29.821 29.700 -0.064 0.000 0.758 125 E HN 0.395 nan 8.360 nan 0.000 0.467 126 E N -1.275 118.881 120.200 -0.073 0.000 2.409 126 E HA -0.063 4.287 4.350 -0.001 0.000 0.198 126 E C 1.091 177.650 176.600 -0.068 0.000 1.024 126 E CA 0.533 56.889 56.400 -0.073 0.000 0.861 126 E CB 0.368 30.025 29.700 -0.073 0.000 0.788 126 E HN 0.403 nan 8.360 nan 0.000 0.521 127 G N 0.911 109.670 108.800 -0.068 0.000 2.485 127 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.181 127 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.181 127 G C 0.365 175.232 174.900 -0.055 0.000 0.999 127 G CA 0.049 45.114 45.100 -0.058 0.000 0.721 127 G HN 0.260 nan 8.290 nan 0.000 0.486 128 I N -1.218 119.312 120.570 -0.067 0.000 3.775 128 I HA 0.908 5.078 4.170 -0.001 0.000 0.272 128 I C -0.058 176.001 176.117 -0.098 0.000 1.292 128 I CA -1.200 60.065 61.300 -0.059 0.000 1.050 128 I CB 1.786 39.756 38.000 -0.050 0.000 1.422 128 I HN -0.048 nan 8.210 nan 0.000 0.561 129 S N 0.799 116.445 115.700 -0.092 0.000 2.502 129 S HA 0.847 5.317 4.470 -0.001 0.000 0.304 129 S C -0.632 173.785 174.600 -0.305 0.000 1.097 129 S CA -0.568 57.486 58.200 -0.244 0.000 1.045 129 S CB 1.544 64.674 63.200 -0.118 0.000 1.019 129 S HN 0.906 nan 8.310 nan 0.000 0.481 130 A N 2.865 125.304 122.820 -0.634 0.000 2.549 130 A HA 0.841 5.160 4.320 -0.001 0.000 0.297 130 A C -1.607 175.605 177.584 -0.621 0.000 1.061 130 A CA -0.777 51.030 52.037 -0.384 0.000 0.690 130 A CB 1.302 20.193 19.000 -0.182 0.000 1.287 130 A HN 0.776 nan 8.150 nan 0.000 0.402 131 W N 0.617 121.921 121.300 0.006 0.000 3.040 131 W HA 0.708 5.368 4.660 0.000 0.000 0.344 131 W C -0.312 176.203 176.519 -0.005 0.000 1.201 131 W CA -0.522 56.824 57.345 0.001 0.000 1.119 131 W CB 2.097 31.558 29.460 0.001 0.000 1.478 131 W HN 0.958 nan 8.180 nan 0.000 0.586 132 M N 0.462 120.212 119.600 0.250 0.000 2.664 132 M HA 0.702 5.181 4.480 -0.001 0.000 0.279 132 M C -2.018 174.330 176.300 0.081 0.000 1.275 132 M CA -0.961 54.411 55.300 0.119 0.000 0.829 132 M CB 2.512 35.151 32.600 0.066 0.000 1.727 132 M HN 0.237 nan 8.290 nan 0.000 0.459 133 L N 0.791 122.029 121.223 0.026 0.000 2.325 133 L HA 0.611 4.950 4.340 -0.001 0.000 0.278 133 L C 0.307 177.176 176.870 -0.002 0.000 1.023 133 L CA -0.730 54.109 54.840 -0.001 0.000 0.811 133 L CB 1.913 43.949 42.059 -0.038 0.000 1.249 133 L HN 0.886 nan 8.230 nan 0.000 0.431 134 T N 0.786 115.338 114.554 -0.003 0.000 2.810 134 T HA 0.618 4.968 4.350 -0.001 0.000 0.277 134 T C 0.412 175.109 174.700 -0.006 0.000 0.973 134 T CA 0.765 62.866 62.100 0.001 0.000 0.949 134 T CB 1.070 69.941 68.868 0.006 0.000 1.075 134 T HN 0.972 nan 8.240 nan 0.000 0.537 135 G N 0.352 109.154 108.800 0.004 0.000 2.698 135 G HA2 0.358 4.318 3.960 -0.001 0.000 0.233 135 G HA3 0.358 4.318 3.960 -0.001 0.000 0.233 135 G C -0.104 174.811 174.900 0.025 0.000 1.352 135 G CA -0.251 44.856 45.100 0.012 0.000 0.879 135 G HN 1.716 nan 8.290 nan 0.000 0.567 136 A N -3.815 119.040 122.820 0.058 0.000 3.287 136 A HA 0.694 5.014 4.320 -0.001 0.000 0.299 136 A C 0.541 178.253 177.584 0.214 0.000 1.086 136 A CA 0.677 52.779 52.037 0.107 0.000 0.586 136 A CB -0.588 18.442 19.000 0.050 0.000 1.539 136 A HN 1.479 nan 8.150 nan 0.000 0.694 137 Y N 1.124 121.419 120.300 -0.009 0.000 2.224 137 Y HA -0.076 4.474 4.550 -0.001 0.000 0.289 137 Y C 1.530 177.420 175.900 -0.017 0.000 1.146 137 Y CA 1.546 59.625 58.100 -0.035 0.000 1.182 137 Y CB -0.689 37.722 38.460 -0.082 0.000 0.983 137 Y HN 0.604 nan 8.280 nan 0.000 0.524 138 H N 0.843 119.984 119.070 0.118 0.000 3.034 138 H HA 0.178 4.733 4.556 -0.001 0.000 0.324 138 H C -0.868 174.462 175.328 0.005 0.000 1.015 138 H CA 0.464 56.535 56.048 0.038 0.000 1.429 138 H CB 0.503 30.266 29.762 0.002 0.000 1.429 138 H HN -0.137 nan 8.280 nan 0.000 0.585 139 V N 8.545 128.217 119.914 -0.402 0.000 2.588 139 V HA 0.213 4.332 4.120 -0.001 0.000 0.304 139 V C -2.010 173.857 176.094 -0.379 0.000 1.042 139 V CA -1.672 60.500 62.300 -0.214 0.000 0.877 139 V CB 1.792 33.527 31.823 -0.148 0.000 0.996 139 V HN 0.761 nan 8.190 nan 0.000 0.425 140 P HA 0.140 nan 4.420 nan 0.000 0.268 140 P C -0.177 177.238 177.300 0.191 0.000 1.208 140 P CA 0.096 63.223 63.100 0.045 0.000 0.777 140 P CB 0.349 32.086 31.700 0.062 0.000 0.875 141 S N 1.824 117.581 115.700 0.096 0.000 2.576 141 S HA 0.233 4.702 4.470 -0.001 0.000 0.276 141 S C 0.343 174.985 174.600 0.070 0.000 1.339 141 S CA -0.527 57.727 58.200 0.089 0.000 1.039 141 S CB 0.216 63.435 63.200 0.032 0.000 0.902 141 S HN 0.263 nan 8.310 nan 0.000 0.516 142 R N 1.887 122.414 120.500 0.045 0.000 2.207 142 R HA 0.406 4.745 4.340 -0.001 0.000 0.334 142 R C 0.438 176.746 176.300 0.013 0.000 1.013 142 R CA -0.324 55.778 56.100 0.003 0.000 0.858 142 R CB 0.822 31.095 30.300 -0.045 0.000 1.094 142 R HN 0.787 nan 8.270 nan 0.000 0.457 143 T N -1.517 113.048 114.554 0.018 0.000 2.841 143 T HA 0.437 4.786 4.350 -0.001 0.000 0.276 143 T C 1.191 175.906 174.700 0.024 0.000 1.003 143 T CA -0.872 61.240 62.100 0.020 0.000 0.995 143 T CB 0.970 69.849 68.868 0.018 0.000 1.260 143 T HN 0.340 nan 8.240 nan 0.000 0.581 144 I N 0.736 121.320 120.570 0.023 0.000 2.429 144 I HA 0.008 4.178 4.170 -0.001 0.000 0.247 144 I C 2.653 178.781 176.117 0.019 0.000 1.099 144 I CA 1.240 62.554 61.300 0.024 0.000 1.422 144 I CB -0.134 37.879 38.000 0.023 0.000 1.112 144 I HN 0.936 nan 8.210 nan 0.000 0.430 145 T N -2.480 112.084 114.554 0.017 0.000 3.086 145 T HA 0.360 4.709 4.350 -0.001 0.000 0.250 145 T C 1.436 176.145 174.700 0.016 0.000 1.074 145 T CA 0.418 62.527 62.100 0.015 0.000 0.988 145 T CB 0.637 69.514 68.868 0.014 0.000 0.988 145 T HN 0.515 nan 8.240 nan 0.000 0.530 146 G N 0.445 109.255 108.800 0.018 0.000 2.194 146 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.236 146 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.236 146 G C 0.098 175.012 174.900 0.022 0.000 0.987 146 G CA 0.134 45.246 45.100 0.020 0.000 0.635 146 G HN 1.334 nan 8.290 nan 0.000 0.520 147 S N -1.176 114.536 115.700 0.019 0.000 2.572 147 S HA 0.594 5.064 4.470 -0.001 0.000 0.274 147 S C 1.161 175.769 174.600 0.013 0.000 1.150 147 S CA 0.384 58.595 58.200 0.019 0.000 0.944 147 S CB 1.869 65.080 63.200 0.019 0.000 1.071 147 S HN 0.802 nan 8.310 nan 0.000 0.479 148 V N 4.289 124.209 119.914 0.010 0.000 2.295 148 V HA -0.111 4.009 4.120 -0.001 0.000 0.246 148 V C 2.622 178.716 176.094 -0.001 0.000 1.049 148 V CA 2.492 64.792 62.300 0.001 0.000 1.024 148 V CB -0.837 30.980 31.823 -0.009 0.000 0.648 148 V HN 1.019 nan 8.190 nan 0.000 0.447 149 E N 0.122 120.323 120.200 0.001 0.000 2.085 149 E HA -0.312 4.038 4.350 -0.001 0.000 0.194 149 E C 2.309 178.912 176.600 0.005 0.000 0.994 149 E CA 1.834 58.235 56.400 0.001 0.000 0.801 149 E CB -0.100 29.604 29.700 0.005 0.000 0.743 149 E HN 0.552 nan 8.360 nan 0.000 0.453 150 K N 0.054 120.459 120.400 0.009 0.000 2.062 150 K HA -0.152 4.167 4.320 -0.001 0.000 0.205 150 K C 1.661 178.268 176.600 0.011 0.000 1.051 150 K CA 1.624 57.917 56.287 0.010 0.000 0.941 150 K CB 0.066 32.573 32.500 0.012 0.000 0.719 150 K HN 0.060 nan 8.250 nan 0.000 0.440 151 D N 0.148 120.554 120.400 0.011 0.000 2.092 151 D HA -0.159 4.480 4.640 -0.001 0.000 0.193 151 D C 1.839 178.147 176.300 0.014 0.000 0.994 151 D CA 1.250 55.258 54.000 0.013 0.000 0.828 151 D CB -0.169 40.638 40.800 0.012 0.000 0.963 151 D HN -0.007 nan 8.370 nan 0.000 0.450 152 V N 0.886 120.805 119.914 0.008 0.000 2.343 152 V HA -0.210 3.910 4.120 -0.001 0.000 0.247 152 V C 2.389 178.488 176.094 0.009 0.000 1.051 152 V CA 1.805 64.108 62.300 0.006 0.000 1.036 152 V CB -0.798 31.021 31.823 -0.007 0.000 0.654 152 V HN 0.208 nan 8.190 nan 0.000 0.451 153 A N 0.227 123.052 122.820 0.008 0.000 1.929 153 A HA -0.057 4.263 4.320 -0.001 0.000 0.216 153 A C 2.160 179.752 177.584 0.014 0.000 1.176 153 A CA 1.866 53.909 52.037 0.009 0.000 0.628 153 A CB -0.359 18.645 19.000 0.007 0.000 0.816 153 A HN 0.697 nan 8.150 nan 0.000 0.444 154 I N -3.750 116.829 120.570 0.015 0.000 3.939 154 I HA 0.306 4.475 4.170 -0.001 0.000 0.313 154 I C -0.455 175.674 176.117 0.020 0.000 1.274 154 I CA -0.171 61.139 61.300 0.017 0.000 1.301 154 I CB 0.275 38.283 38.000 0.013 0.000 1.105 154 I HN -0.110 nan 8.210 nan 0.000 0.427 155 I N 4.699 125.284 120.570 0.024 0.000 2.322 155 I HA 0.057 4.226 4.170 -0.001 0.000 0.292 155 I C 1.192 177.333 176.117 0.041 0.000 1.060 155 I CA -0.074 61.243 61.300 0.027 0.000 1.309 155 I CB 0.508 38.524 38.000 0.026 0.000 1.415 155 I HN 0.344 nan 8.210 nan 0.000 0.492 156 D N 7.224 127.647 120.400 0.038 0.000 2.133 156 D HA -0.275 4.365 4.640 -0.001 0.000 0.192 156 D C 1.282 177.642 176.300 0.101 0.000 1.001 156 D CA 1.617 55.651 54.000 0.057 0.000 0.844 156 D CB 0.041 40.863 40.800 0.035 0.000 0.944 156 D HN 0.330 nan 8.370 nan 0.000 0.447 157 R N 0.231 120.776 120.500 0.074 0.000 2.276 157 R HA 0.191 4.531 4.340 -0.001 0.000 0.203 157 R C 0.250 176.670 176.300 0.201 0.000 1.017 157 R CA -0.188 55.983 56.100 0.118 0.000 1.010 157 R CB -0.750 29.552 30.300 0.003 0.000 0.900 157 R HN 0.212 nan 8.270 nan 0.000 0.469 158 V N 2.891 122.880 119.914 0.125 0.000 2.530 158 V HA 0.111 4.231 4.120 -0.001 0.000 0.282 158 V C 1.581 177.726 176.094 0.085 0.000 1.048 158 V CA -0.072 62.285 62.300 0.095 0.000 0.997 158 V CB 1.233 33.086 31.823 0.050 0.000 0.987 158 V HN 0.205 nan 8.190 nan 0.000 0.477 159 I N 1.362 121.966 120.570 0.056 0.000 4.227 159 I HA 0.748 4.918 4.170 -0.001 0.000 0.334 159 I C 0.689 176.778 176.117 -0.047 0.000 1.341 159 I CA 0.292 61.583 61.300 -0.014 0.000 1.123 159 I CB 0.685 38.633 38.000 -0.086 0.000 1.097 159 I HN 0.669 nan 8.210 nan 0.000 0.399 160 G N 0.534 109.317 108.800 -0.029 0.000 2.348 160 G HA2 0.465 4.425 3.960 -0.001 0.000 0.296 160 G HA3 0.465 4.425 3.960 -0.001 0.000 0.296 160 G C -1.931 172.945 174.900 -0.041 0.000 1.258 160 G CA 0.124 45.198 45.100 -0.044 0.000 0.868 160 G HN -0.004 nan 8.290 nan 0.000 0.488 164 A N 1.006 123.744 122.820 -0.136 0.000 2.371 164 A HA 0.956 5.276 4.320 -0.001 0.000 0.311 164 A C -0.633 176.918 177.584 -0.054 0.000 1.068 164 A CA -0.287 51.608 52.037 -0.236 0.000 0.744 164 A CB 0.888 19.404 19.000 -0.807 0.000 1.239 164 A HN 2.132 nan 8.150 nan 0.000 0.435 165 I N -1.776 118.814 120.570 0.033 0.000 3.074 165 I HA 0.699 4.869 4.170 -0.001 0.000 0.310 165 I C 0.136 176.259 176.117 0.010 0.000 1.153 165 I CA -0.852 60.468 61.300 0.034 0.000 0.993 165 I CB 2.014 40.054 38.000 0.068 0.000 1.237 165 I HN 0.645 nan 8.210 nan 0.000 0.443 166 S N 1.294 116.994 115.700 -0.001 0.000 3.559 166 S HA -0.197 4.273 4.470 -0.001 0.000 0.369 166 S C -0.404 174.204 174.600 0.013 0.000 0.987 166 S CA 1.381 59.580 58.200 -0.001 0.000 1.187 166 S CB -1.667 61.518 63.200 -0.026 0.000 0.914 166 S HN 0.977 nan 8.310 nan 0.000 0.480 167 D N -0.549 119.858 120.400 0.011 0.000 2.753 167 D HA 0.165 4.805 4.640 -0.001 0.000 0.224 167 D C 0.917 177.191 176.300 -0.043 0.000 1.213 167 D CA -0.610 53.384 54.000 -0.009 0.000 0.833 167 D CB 0.841 41.656 40.800 0.026 0.000 1.607 167 D HN 0.359 nan 8.370 nan 0.000 0.463 168 H N 2.104 121.217 119.070 0.071 0.000 2.561 168 H HA 0.101 4.657 4.556 -0.001 0.000 0.278 168 H C 0.303 175.670 175.328 0.066 0.000 1.014 168 H CA 0.416 56.498 56.048 0.056 0.000 1.211 168 H CB 0.363 30.152 29.762 0.046 0.000 1.365 168 H HN 0.193 nan 8.280 nan 0.000 0.594 169 R N 1.452 121.794 120.500 -0.263 0.000 2.468 169 R HA 0.104 4.444 4.340 -0.001 0.000 0.280 169 R C 0.675 177.014 176.300 0.065 0.000 0.963 169 R CA 0.225 56.303 56.100 -0.035 0.000 1.083 169 R CB 0.737 31.023 30.300 -0.024 0.000 1.200 169 R HN 0.313 nan 8.270 nan 0.000 0.541 170 S N -0.346 115.354 115.700 -0.001 0.000 2.641 170 S HA 0.304 4.774 4.470 -0.001 0.000 0.261 170 S C 1.036 175.631 174.600 -0.008 0.000 1.257 170 S CA -0.280 57.914 58.200 -0.010 0.000 0.983 170 S CB 1.478 64.655 63.200 -0.039 0.000 0.990 170 S HN 0.159 nan 8.310 nan 0.000 0.572 171 A N -0.338 122.435 122.820 -0.078 0.000 2.379 171 A HA 0.674 4.993 4.320 -0.001 0.000 0.236 171 A C 1.179 178.691 177.584 -0.121 0.000 1.272 171 A CA 0.233 52.171 52.037 -0.164 0.000 0.886 171 A CB -1.484 17.223 19.000 -0.487 0.000 0.962 171 A HN 2.290 nan 8.150 nan 0.000 0.504 172 A N 0.200 122.986 122.820 -0.057 0.000 2.739 172 A HA -0.080 4.240 4.320 -0.001 0.000 0.296 172 A C -1.565 176.002 177.584 -0.029 0.000 1.488 172 A CA 0.399 52.421 52.037 -0.025 0.000 0.746 172 A CB -2.282 16.713 19.000 -0.009 0.000 1.047 172 A HN 0.501 nan 8.150 nan 0.000 0.477 173 P HA 0.421 nan 4.420 nan 0.000 0.271 173 P C -0.153 177.185 177.300 0.062 0.000 1.218 173 P CA 0.191 63.286 63.100 -0.008 0.000 0.780 173 P CB 0.594 32.294 31.700 -0.000 0.000 0.901 174 D N 0.429 120.914 120.400 0.141 0.000 2.387 174 D HA 0.021 4.660 4.640 -0.001 0.000 0.255 174 D C 1.143 177.526 176.300 0.138 0.000 1.081 174 D CA -0.909 53.181 54.000 0.149 0.000 0.994 174 D CB 0.446 41.359 40.800 0.188 0.000 1.127 174 D HN 0.071 nan 8.370 nan 0.000 0.513 175 V N 0.661 120.641 119.914 0.111 0.000 2.332 175 V HA -0.285 3.835 4.120 -0.001 0.000 0.248 175 V C 1.947 178.091 176.094 0.085 0.000 1.055 175 V CA 1.871 64.226 62.300 0.092 0.000 1.038 175 V CB -0.998 30.874 31.823 0.082 0.000 0.651 175 V HN 0.630 nan 8.190 nan 0.000 0.450 176 Y N 1.109 121.405 120.300 -0.007 0.000 2.128 176 Y HA -0.300 4.249 4.550 -0.000 0.000 0.284 176 Y C 2.358 178.194 175.900 -0.107 0.000 1.154 176 Y CA 2.435 60.482 58.100 -0.088 0.000 1.149 176 Y CB -0.818 37.529 38.460 -0.189 0.000 0.976 176 Y HN 0.577 nan 8.280 nan 0.000 0.505 177 H N -0.558 118.384 119.070 -0.213 0.000 2.353 177 H HA -0.137 4.419 4.556 -0.001 0.000 0.300 177 H C 2.290 177.482 175.328 -0.227 0.000 1.090 177 H CA 1.976 57.853 56.048 -0.284 0.000 1.327 177 H CB -0.253 29.464 29.762 -0.076 0.000 1.383 177 H HN 0.326 nan 8.280 nan 0.000 0.508 178 L N -0.262 120.962 121.223 0.001 0.000 2.027 178 L HA -0.174 4.166 4.340 -0.001 0.000 0.206 178 L C 2.786 179.643 176.870 -0.023 0.000 1.074 178 L CA 0.890 55.743 54.840 0.021 0.000 0.745 178 L CB -0.515 41.604 42.059 0.100 0.000 0.898 178 L HN 0.352 nan 8.230 nan 0.000 0.433 179 A N 0.564 123.349 122.820 -0.060 0.000 1.865 179 A HA -0.307 4.013 4.320 -0.001 0.000 0.217 179 A C 2.031 179.545 177.584 -0.117 0.000 1.191 179 A CA 2.392 54.400 52.037 -0.048 0.000 0.623 179 A CB -0.949 18.044 19.000 -0.013 0.000 0.826 179 A HN 0.531 nan 8.150 nan 0.000 0.444 180 N N -0.490 118.025 118.700 -0.307 0.000 2.104 180 N HA -0.210 4.530 4.740 -0.001 0.000 0.190 180 N C 1.827 177.252 175.510 -0.142 0.000 1.024 180 N CA 2.272 55.149 53.050 -0.287 0.000 0.853 180 N CB -0.351 37.769 38.487 -0.612 0.000 1.008 180 N HN 0.558 nan 8.380 nan 0.000 0.424 181 M N -0.425 119.099 119.600 -0.128 0.000 2.117 181 M HA -0.073 4.407 4.480 -0.001 0.000 0.262 181 M C 1.918 178.181 176.300 -0.061 0.000 1.065 181 M CA 1.770 57.025 55.300 -0.075 0.000 1.114 181 M CB -0.217 32.342 32.600 -0.067 0.000 1.361 181 M HN 0.278 nan 8.290 nan 0.000 0.408 182 A N 0.390 123.183 122.820 -0.045 0.000 1.902 182 A HA -0.009 4.311 4.320 -0.001 0.000 0.217 182 A C 2.317 179.898 177.584 -0.006 0.000 1.181 182 A CA 1.828 53.856 52.037 -0.014 0.000 0.623 182 A CB -1.101 17.933 19.000 0.056 0.000 0.818 182 A HN 0.681 nan 8.150 nan 0.000 0.443 183 A N -0.370 122.444 122.820 -0.010 0.000 1.930 183 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 183 A C 1.944 179.523 177.584 -0.008 0.000 1.175 183 A CA 1.501 53.537 52.037 -0.002 0.000 0.627 183 A CB -0.440 18.561 19.000 0.002 0.000 0.815 183 A HN 0.616 nan 8.150 nan 0.000 0.443 184 E N -0.579 119.609 120.200 -0.019 0.000 2.047 184 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 184 E C 2.299 178.889 176.600 -0.016 0.000 0.987 184 E CA 1.214 57.605 56.400 -0.014 0.000 0.799 184 E CB -0.214 29.477 29.700 -0.016 0.000 0.752 184 E HN 0.580 nan 8.360 nan 0.000 0.449 185 S N 0.594 116.279 115.700 -0.025 0.000 2.368 185 S HA -0.185 4.285 4.470 -0.001 0.000 0.225 185 S C 2.036 176.620 174.600 -0.027 0.000 1.030 185 S CA 0.999 59.181 58.200 -0.030 0.000 0.999 185 S CB -0.075 63.097 63.200 -0.046 0.000 0.844 185 S HN 0.100 nan 8.310 nan 0.000 0.459 186 R N 0.921 121.410 120.500 -0.019 0.000 2.082 186 R HA -0.077 4.263 4.340 -0.001 0.000 0.234 186 R C 2.206 178.496 176.300 -0.017 0.000 1.136 186 R CA 2.100 58.190 56.100 -0.017 0.000 0.935 186 R CB -1.299 28.999 30.300 -0.003 0.000 0.842 186 R HN 0.432 nan 8.270 nan 0.000 0.430 187 V N 0.279 120.188 119.914 -0.009 0.000 2.343 187 V HA -0.185 3.934 4.120 -0.001 0.000 0.247 187 V C 2.507 178.596 176.094 -0.008 0.000 1.051 187 V CA 2.025 64.322 62.300 -0.006 0.000 1.036 187 V CB -1.167 30.657 31.823 0.000 0.000 0.654 187 V HN 0.604 nan 8.190 nan 0.000 0.451 188 G N 0.022 108.816 108.800 -0.009 0.000 2.442 188 G HA2 -0.169 3.790 3.960 -0.001 0.000 0.219 188 G HA3 -0.169 3.790 3.960 -0.001 0.000 0.219 188 G C 1.622 176.514 174.900 -0.012 0.000 1.141 188 G CA 0.984 46.079 45.100 -0.007 0.000 0.763 188 G HN 0.589 nan 8.290 nan 0.000 0.554 189 G N 1.020 109.807 108.800 -0.023 0.000 2.446 189 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.217 189 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.217 189 G C 1.810 176.693 174.900 -0.029 0.000 1.168 189 G CA 0.882 45.961 45.100 -0.035 0.000 0.771 189 G HN 0.432 nan 8.290 nan 0.000 0.551 190 L N -0.049 121.159 121.223 -0.024 0.000 1.994 190 L HA -0.049 4.290 4.340 -0.001 0.000 0.208 190 L C 2.950 179.813 176.870 -0.011 0.000 1.071 190 L CA 0.796 55.625 54.840 -0.018 0.000 0.745 190 L CB -0.529 41.522 42.059 -0.014 0.000 0.892 190 L HN 0.176 nan 8.230 nan 0.000 0.431 191 L N -0.481 120.738 121.223 -0.007 0.000 2.083 191 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 191 L C 2.383 179.254 176.870 0.001 0.000 1.083 191 L CA 1.315 56.154 54.840 -0.002 0.000 0.752 191 L CB -0.946 41.114 42.059 0.001 0.000 0.899 191 L HN 0.343 nan 8.230 nan 0.000 0.433 192 G N -1.373 107.427 108.800 -0.000 0.000 3.042 192 G HA2 0.261 4.221 3.960 -0.001 0.000 0.212 192 G HA3 0.261 4.221 3.960 -0.001 0.000 0.212 192 G C 1.129 176.032 174.900 0.005 0.000 1.166 192 G CA 0.393 45.497 45.100 0.006 0.000 0.767 192 G HN 0.488 nan 8.290 nan 0.000 0.546 193 G N 0.368 109.164 108.800 -0.006 0.000 2.256 193 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.272 193 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.272 193 G C 0.129 175.014 174.900 -0.025 0.000 1.076 193 G CA 0.203 45.296 45.100 -0.012 0.000 0.882 193 G HN 0.466 nan 8.290 nan 0.000 0.497 194 K N -0.697 119.680 120.400 -0.038 0.000 2.295 194 K HA 0.527 4.846 4.320 -0.001 0.000 0.239 194 K C -1.518 175.021 176.600 -0.102 0.000 0.991 194 K CA -1.898 54.350 56.287 -0.066 0.000 0.845 194 K CB 2.053 34.525 32.500 -0.046 0.000 1.197 194 K HN -0.050 nan 8.250 nan 0.000 0.441 195 P HA -0.133 nan 4.420 nan 0.000 0.218 195 P C 0.565 177.768 177.300 -0.162 0.000 1.149 195 P CA 1.353 64.332 63.100 -0.202 0.000 0.817 195 P CB 0.108 31.621 31.700 -0.311 0.000 0.785 196 G N 0.104 108.831 108.800 -0.122 0.000 2.272 196 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.280 196 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.280 196 G C 0.167 175.018 174.900 -0.081 0.000 1.067 196 G CA 0.145 45.196 45.100 -0.083 0.000 0.902 196 G HN 0.563 nan 8.290 nan 0.000 0.500 197 V N -2.889 116.965 119.914 -0.101 0.000 3.036 197 V HA 0.930 5.050 4.120 -0.001 0.000 0.308 197 V C 0.477 176.549 176.094 -0.036 0.000 1.070 197 V CA -0.139 62.125 62.300 -0.059 0.000 1.056 197 V CB 1.870 33.643 31.823 -0.083 0.000 1.084 197 V HN 0.465 nan 8.190 nan 0.000 0.471 198 T N 2.184 116.735 114.554 -0.005 0.000 2.815 198 T HA 0.580 4.930 4.350 -0.001 0.000 0.289 198 T C -0.540 174.043 174.700 -0.195 0.000 1.000 198 T CA -0.294 61.702 62.100 -0.174 0.000 0.958 198 T CB 1.240 69.943 68.868 -0.276 0.000 0.944 198 T HN 0.685 nan 8.240 nan 0.000 0.442 199 V N 4.603 124.360 119.914 -0.262 0.000 2.370 199 V HA 0.474 4.594 4.120 -0.001 0.000 0.283 199 V C -0.846 175.082 176.094 -0.277 0.000 1.023 199 V CA -0.810 61.416 62.300 -0.124 0.000 0.857 199 V CB 0.489 32.295 31.823 -0.028 0.000 0.985 199 V HN 0.782 nan 8.190 nan 0.000 0.443 200 F N 3.568 123.482 119.950 -0.061 0.000 2.334 200 F HA 0.373 4.900 4.527 -0.000 0.000 0.367 200 F C 0.559 176.292 175.800 -0.111 0.000 1.115 200 F CA -0.753 57.194 58.000 -0.089 0.000 1.116 200 F CB 0.376 39.288 39.000 -0.146 0.000 1.230 200 F HN 0.636 nan 8.300 nan 0.000 0.484 201 H N 4.207 123.262 119.070 -0.025 0.000 2.975 201 H HA 0.258 4.814 4.556 -0.001 0.000 0.303 201 H C -0.513 174.795 175.328 -0.033 0.000 1.023 201 H CA -0.371 55.650 56.048 -0.046 0.000 1.473 201 H CB 0.557 30.238 29.762 -0.135 0.000 1.498 201 H HN 0.365 nan 8.280 nan 0.000 0.549 202 M N 4.978 124.328 119.600 -0.417 0.000 2.300 202 M HA 0.310 4.790 4.480 -0.001 0.000 0.348 202 M C 0.789 176.838 176.300 -0.419 0.000 1.151 202 M CA -0.314 54.815 55.300 -0.285 0.000 1.046 202 M CB 1.411 33.898 32.600 -0.188 0.000 1.647 202 M HN 0.882 nan 8.290 nan 0.000 0.451 203 G N 1.228 109.934 108.800 -0.156 0.000 2.828 203 G HA2 0.404 4.364 3.960 -0.001 0.000 0.244 203 G HA3 0.404 4.364 3.960 -0.001 0.000 0.244 203 G C -0.143 174.747 174.900 -0.017 0.000 1.365 203 G CA -0.387 44.691 45.100 -0.036 0.000 1.041 203 G HN 0.653 nan 8.290 nan 0.000 0.560 204 D N -0.081 120.339 120.400 0.033 0.000 2.342 204 D HA 0.099 4.739 4.640 -0.001 0.000 0.221 204 D C 1.252 177.574 176.300 0.037 0.000 1.101 204 D CA 0.134 54.154 54.000 0.033 0.000 0.837 204 D CB 0.489 41.318 40.800 0.047 0.000 0.938 204 D HN 0.218 nan 8.370 nan 0.000 0.508 205 S N 0.539 116.261 115.700 0.036 0.000 2.558 205 S HA -0.027 4.443 4.470 -0.001 0.000 0.288 205 S C 1.298 175.909 174.600 0.019 0.000 1.318 205 S CA -0.121 58.099 58.200 0.033 0.000 1.056 205 S CB 1.129 64.347 63.200 0.029 0.000 0.853 205 S HN -0.056 nan 8.310 nan 0.000 0.505 206 K N 2.599 123.011 120.400 0.021 0.000 2.360 206 K HA -0.079 4.240 4.320 -0.001 0.000 0.201 206 K C 1.933 178.541 176.600 0.013 0.000 1.046 206 K CA 1.307 57.604 56.287 0.016 0.000 0.945 206 K CB -0.040 32.470 32.500 0.017 0.000 0.750 206 K HN 0.758 nan 8.250 nan 0.000 0.464 207 K N 0.375 120.781 120.400 0.011 0.000 2.362 207 K HA 0.086 4.405 4.320 -0.001 0.000 0.200 207 K C 1.279 177.878 176.600 -0.002 0.000 1.046 207 K CA 0.762 57.054 56.287 0.009 0.000 0.952 207 K CB -0.288 32.218 32.500 0.010 0.000 0.753 207 K HN 0.032 nan 8.250 nan 0.000 0.466 208 A N 2.107 124.919 122.820 -0.014 0.000 5.324 208 A HA -0.309 4.010 4.320 -0.001 0.000 0.337 208 A C 1.322 178.854 177.584 -0.086 0.000 1.730 208 A CA 1.912 53.925 52.037 -0.039 0.000 0.711 208 A CB -1.596 17.394 19.000 -0.017 0.000 1.434 208 A HN 0.334 nan 8.150 nan 0.000 0.400 209 L N -0.087 121.080 121.223 -0.094 0.000 2.599 209 L HA -0.067 4.273 4.340 -0.001 0.000 0.230 209 L C 2.383 179.165 176.870 -0.146 0.000 1.141 209 L CA 1.077 55.785 54.840 -0.220 0.000 0.877 209 L CB -0.404 41.462 42.059 -0.322 0.000 1.009 209 L HN 0.771 nan 8.230 nan 0.000 0.447 210 Q N 1.475 121.285 119.800 0.017 0.000 2.065 210 Q HA -0.218 4.122 4.340 -0.001 0.000 0.213 210 Q C -0.615 175.397 176.000 0.019 0.000 1.012 210 Q CA 2.505 58.362 55.803 0.091 0.000 0.876 210 Q CB -1.409 27.367 28.738 0.063 0.000 0.954 210 Q HN 0.249 nan 8.270 nan 0.000 0.413 211 P HA -0.145 nan 4.420 nan 0.000 0.217 211 P C 1.041 178.255 177.300 -0.144 0.000 1.148 211 P CA 1.308 64.366 63.100 -0.070 0.000 0.828 211 P CB -0.146 31.516 31.700 -0.063 0.000 0.783 212 I N -2.679 117.689 120.570 -0.337 0.000 2.252 212 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 212 I C 2.237 178.186 176.117 -0.279 0.000 1.102 212 I CA 1.380 62.385 61.300 -0.491 0.000 1.385 212 I CB -0.601 36.872 38.000 -0.878 0.000 1.064 212 I HN -0.108 nan 8.210 nan 0.000 0.414 213 Y N 1.062 121.318 120.300 -0.074 0.000 2.181 213 Y HA -0.258 4.291 4.550 -0.000 0.000 0.288 213 Y C 2.369 178.266 175.900 -0.005 0.000 1.146 213 Y CA 1.131 59.224 58.100 -0.012 0.000 1.164 213 Y CB -0.759 37.695 38.460 -0.011 0.000 0.982 213 Y HN 0.195 nan 8.280 nan 0.000 0.515 214 D N -0.071 120.411 120.400 0.138 0.000 2.104 214 D HA -0.198 4.442 4.640 -0.001 0.000 0.194 214 D C 2.379 178.720 176.300 0.068 0.000 0.994 214 D CA 1.069 55.121 54.000 0.088 0.000 0.830 214 D CB -0.699 40.138 40.800 0.061 0.000 0.959 214 D HN 0.310 nan 8.370 nan 0.000 0.452 215 L N 0.346 121.593 121.223 0.041 0.000 2.042 215 L HA -0.181 4.159 4.340 -0.001 0.000 0.210 215 L C 2.303 179.210 176.870 0.061 0.000 1.076 215 L CA 1.088 55.956 54.840 0.047 0.000 0.749 215 L CB -0.164 41.915 42.059 0.032 0.000 0.893 215 L HN 0.036 nan 8.230 nan 0.000 0.432 216 L N -0.430 120.833 121.223 0.067 0.000 2.131 216 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 216 L C 2.240 179.158 176.870 0.080 0.000 1.092 216 L CA 1.328 56.219 54.840 0.084 0.000 0.759 216 L CB -0.390 41.740 42.059 0.119 0.000 0.903 216 L HN 0.336 nan 8.230 nan 0.000 0.435 217 E N -0.538 119.711 120.200 0.083 0.000 2.482 217 E HA -0.052 4.298 4.350 -0.001 0.000 0.196 217 E C 0.919 177.553 176.600 0.057 0.000 1.047 217 E CA 0.166 56.605 56.400 0.066 0.000 0.869 217 E CB 0.147 29.884 29.700 0.062 0.000 0.836 217 E HN 0.439 nan 8.360 nan 0.000 0.520 218 N N 0.037 118.775 118.700 0.062 0.000 2.200 218 N HA 0.098 4.838 4.740 -0.001 0.000 0.224 218 N C -0.308 175.241 175.510 0.065 0.000 1.179 218 N CA 0.206 53.295 53.050 0.065 0.000 0.877 218 N CB 0.872 39.404 38.487 0.075 0.000 1.072 218 N HN 0.165 nan 8.380 nan 0.000 0.519 219 C N -2.322 117.013 119.300 0.058 0.000 3.272 219 C HA 0.440 4.900 4.460 -0.001 0.000 0.363 219 C C -0.775 174.243 174.990 0.048 0.000 1.514 219 C CA -0.753 58.297 59.018 0.053 0.000 1.185 219 C CB 1.580 29.351 27.740 0.051 0.000 1.716 219 C HN 0.052 nan 8.230 nan 0.000 0.440 220 D N 0.698 121.123 120.400 0.042 0.000 2.571 220 D HA 0.240 4.880 4.640 -0.001 0.000 0.239 220 D C 0.065 176.387 176.300 0.036 0.000 1.267 220 D CA 0.289 54.311 54.000 0.036 0.000 0.823 220 D CB 1.341 42.159 40.800 0.029 0.000 1.056 220 D HN 0.445 nan 8.370 nan 0.000 0.494 221 V N 2.858 122.798 119.914 0.044 0.000 2.572 221 V HA 0.109 4.229 4.120 -0.001 0.000 0.291 221 V C -1.852 174.274 176.094 0.053 0.000 1.039 221 V CA -1.022 61.306 62.300 0.047 0.000 1.055 221 V CB 0.725 32.584 31.823 0.061 0.000 0.969 221 V HN -0.019 nan 8.190 nan 0.000 0.482 222 P HA 0.150 nan 4.420 nan 0.000 0.268 222 P C 1.019 178.359 177.300 0.067 0.000 1.205 222 P CA -0.028 63.097 63.100 0.041 0.000 0.771 222 P CB 0.645 32.360 31.700 0.026 0.000 0.858 223 I N 2.258 122.857 120.570 0.049 0.000 2.335 223 I HA -0.274 3.896 4.170 -0.001 0.000 0.251 223 I C 1.648 177.827 176.117 0.103 0.000 1.129 223 I CA 1.790 63.123 61.300 0.055 0.000 1.402 223 I CB -0.033 37.929 38.000 -0.064 0.000 1.069 223 I HN 0.345 nan 8.210 nan 0.000 0.424 224 S N -0.331 115.421 115.700 0.086 0.000 2.603 224 S HA -0.007 4.463 4.470 -0.001 0.000 0.229 224 S C 1.537 176.270 174.600 0.221 0.000 0.972 224 S CA 0.235 58.529 58.200 0.158 0.000 0.935 224 S CB -0.171 63.081 63.200 0.087 0.000 0.769 224 S HN 0.336 nan 8.310 nan 0.000 0.536 225 K N 0.763 121.268 120.400 0.175 0.000 2.358 225 K HA 0.403 4.722 4.320 -0.001 0.000 0.200 225 K C -0.115 176.651 176.600 0.276 0.000 1.030 225 K CA 0.060 56.427 56.287 0.134 0.000 1.097 225 K CB 0.239 32.774 32.500 0.059 0.000 0.862 225 K HN 0.460 nan 8.250 nan 0.000 0.534 226 L N 1.665 123.110 121.223 0.371 0.000 2.280 226 L HA 0.431 4.771 4.340 -0.001 0.000 0.287 226 L C -0.521 176.605 176.870 0.427 0.000 1.023 226 L CA -0.896 54.216 54.840 0.453 0.000 0.819 226 L CB 1.111 43.398 42.059 0.380 0.000 1.212 226 L HN -0.190 nan 8.230 nan 0.000 0.420 227 L N 6.923 128.394 121.223 0.414 0.000 2.345 227 L HA 0.615 4.955 4.340 -0.001 0.000 0.274 227 L C -2.471 174.487 176.870 0.147 0.000 0.999 227 L CA -1.397 53.558 54.840 0.191 0.000 0.849 227 L CB 1.674 43.810 42.059 0.128 0.000 1.220 227 L HN 0.255 nan 8.230 nan 0.000 0.422 228 P HA 0.289 nan 4.420 nan 0.000 0.286 228 P C -0.915 176.287 177.300 -0.163 0.000 1.269 228 P CA -0.257 62.738 63.100 -0.176 0.000 0.787 228 P CB 1.591 33.025 31.700 -0.444 0.000 0.920 229 T N 1.525 115.957 114.554 -0.204 0.000 2.930 229 T HA 0.409 4.759 4.350 -0.001 0.000 0.290 229 T C -0.090 174.346 174.700 -0.440 0.000 1.052 229 T CA -0.131 61.771 62.100 -0.329 0.000 1.017 229 T CB 0.155 68.789 68.868 -0.390 0.000 1.137 229 T HN 0.524 nan 8.240 nan 0.000 0.511 230 H N -0.043 118.953 119.070 -0.123 0.000 2.969 230 H HA -0.131 4.424 4.556 -0.001 0.000 0.269 230 H C 1.396 176.667 175.328 -0.094 0.000 1.230 230 H CA 0.862 56.824 56.048 -0.143 0.000 1.123 230 H CB -2.468 27.158 29.762 -0.227 0.000 1.289 230 H HN 0.505 nan 8.280 nan 0.000 0.364 231 V N -0.456 119.471 119.914 0.023 0.000 2.867 231 V HA -0.209 3.911 4.120 -0.001 0.000 0.260 231 V C 1.892 178.113 176.094 0.212 0.000 1.099 231 V CA 2.022 64.366 62.300 0.074 0.000 1.122 231 V CB -0.174 31.674 31.823 0.042 0.000 0.708 231 V HN 0.549 nan 8.190 nan 0.000 0.490 232 N N 2.118 120.897 118.700 0.131 0.000 2.322 232 N HA -0.078 4.662 4.740 -0.001 0.000 0.194 232 N C 1.702 177.182 175.510 -0.050 0.000 1.126 232 N CA 0.715 53.757 53.050 -0.014 0.000 0.845 232 N CB -0.578 37.806 38.487 -0.172 0.000 0.976 232 N HN 0.792 nan 8.380 nan 0.000 0.475 233 R N 0.653 121.152 120.500 -0.003 0.000 2.189 233 R HA -0.052 4.288 4.340 -0.001 0.000 0.223 233 R C -0.405 175.885 176.300 -0.017 0.000 1.092 233 R CA 0.963 57.047 56.100 -0.025 0.000 0.989 233 R CB -0.499 29.781 30.300 -0.033 0.000 0.876 233 R HN 0.431 nan 8.270 nan 0.000 0.457 234 N N -2.672 116.034 118.700 0.010 0.000 2.710 234 N HA 0.102 4.842 4.740 -0.001 0.000 0.257 234 N C 0.056 175.603 175.510 0.061 0.000 1.327 234 N CA -0.704 52.357 53.050 0.019 0.000 0.861 234 N CB 1.564 40.061 38.487 0.016 0.000 1.532 234 N HN -0.235 nan 8.380 nan 0.000 0.499 235 V N 0.273 120.219 119.914 0.053 0.000 2.237 235 V HA -0.046 4.074 4.120 -0.001 0.000 0.245 235 V C -0.980 175.186 176.094 0.120 0.000 1.046 235 V CA 1.939 64.295 62.300 0.093 0.000 1.007 235 V CB -1.416 30.439 31.823 0.055 0.000 0.638 235 V HN 0.733 nan 8.190 nan 0.000 0.445 236 P HA -0.146 nan 4.420 nan 0.000 0.216 236 P C 1.910 179.242 177.300 0.053 0.000 1.150 236 P CA 1.242 64.375 63.100 0.055 0.000 0.837 236 P CB -0.098 31.623 31.700 0.035 0.000 0.786 237 L N -1.325 119.931 121.223 0.056 0.000 2.017 237 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 237 L C 2.332 179.236 176.870 0.057 0.000 1.073 237 L CA 1.726 56.587 54.840 0.034 0.000 0.745 237 L CB -1.549 40.522 42.059 0.020 0.000 0.894 237 L HN -0.184 nan 8.230 nan 0.000 0.432 238 F N 0.770 120.704 119.950 -0.027 0.000 2.126 238 F HA -0.228 4.298 4.527 -0.001 0.000 0.299 238 F C 2.348 178.146 175.800 -0.004 0.000 1.096 238 F CA 2.140 60.126 58.000 -0.023 0.000 1.255 238 F CB -0.254 38.733 39.000 -0.023 0.000 0.997 238 F HN 0.251 nan 8.300 nan 0.000 0.479 239 E N -0.534 119.674 120.200 0.014 0.000 2.106 239 E HA -0.248 4.102 4.350 -0.001 0.000 0.192 239 E C 2.220 178.765 176.600 -0.093 0.000 0.984 239 E CA 1.289 57.651 56.400 -0.064 0.000 0.806 239 E CB -0.245 29.475 29.700 0.033 0.000 0.750 239 E HN 0.576 nan 8.360 nan 0.000 0.458 240 Q N -0.090 119.685 119.800 -0.042 0.000 2.167 240 Q HA -0.114 4.226 4.340 -0.001 0.000 0.202 240 Q C 2.201 178.196 176.000 -0.008 0.000 0.970 240 Q CA 1.010 56.816 55.803 0.004 0.000 0.855 240 Q CB -0.059 28.698 28.738 0.032 0.000 0.911 240 Q HN 0.237 nan 8.270 nan 0.000 0.438 241 A N 0.919 123.668 122.820 -0.119 0.000 1.908 241 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 241 A C 2.025 179.533 177.584 -0.126 0.000 1.181 241 A CA 1.073 53.023 52.037 -0.145 0.000 0.627 241 A CB -0.703 18.163 19.000 -0.222 0.000 0.818 241 A HN 0.307 nan 8.150 nan 0.000 0.445 242 L N -0.973 120.075 121.223 -0.291 0.000 2.012 242 L HA -0.237 4.103 4.340 -0.001 0.000 0.210 242 L C 2.712 179.536 176.870 -0.077 0.000 1.073 242 L CA 1.945 56.646 54.840 -0.231 0.000 0.748 242 L CB -0.592 41.304 42.059 -0.270 0.000 0.891 242 L HN 0.471 nan 8.230 nan 0.000 0.431 243 E N 0.424 120.609 120.200 -0.025 0.000 2.051 243 E HA -0.277 4.073 4.350 -0.001 0.000 0.192 243 E C 1.986 178.643 176.600 0.095 0.000 0.991 243 E CA 1.448 57.867 56.400 0.032 0.000 0.799 243 E CB -0.397 29.333 29.700 0.050 0.000 0.748 243 E HN 0.336 nan 8.360 nan 0.000 0.449 244 F N 0.627 120.587 119.950 0.017 0.000 2.120 244 F HA -0.189 4.338 4.527 -0.001 0.000 0.300 244 F C 1.983 177.762 175.800 -0.037 0.000 1.095 244 F CA 1.862 59.873 58.000 0.019 0.000 1.249 244 F CB -0.639 38.304 39.000 -0.096 0.000 0.995 244 F HN 0.117 nan 8.300 nan 0.000 0.480 245 A N 0.508 123.305 122.820 -0.037 0.000 1.898 245 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 245 A C 2.368 179.858 177.584 -0.158 0.000 1.181 245 A CA 1.436 53.391 52.037 -0.136 0.000 0.620 245 A CB -0.744 18.224 19.000 -0.052 0.000 0.819 245 A HN 0.423 nan 8.150 nan 0.000 0.442 246 R N -0.253 120.186 120.500 -0.101 0.000 2.127 246 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 246 R C 1.674 177.911 176.300 -0.106 0.000 1.134 246 R CA 1.617 57.666 56.100 -0.084 0.000 0.975 246 R CB -0.215 30.053 30.300 -0.053 0.000 0.865 246 R HN 0.474 nan 8.270 nan 0.000 0.447 247 K N -1.127 119.186 120.400 -0.145 0.000 2.555 247 K HA -0.001 4.319 4.320 -0.001 0.000 0.193 247 K C 0.928 177.408 176.600 -0.200 0.000 1.032 247 K CA 0.671 56.869 56.287 -0.148 0.000 1.004 247 K CB 0.531 32.957 32.500 -0.124 0.000 0.804 247 K HN 0.427 nan 8.250 nan 0.000 0.496 248 G N 0.096 108.749 108.800 -0.245 0.000 2.205 248 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.180 248 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.180 248 G C 0.333 175.058 174.900 -0.291 0.000 1.004 248 G CA -0.469 44.506 45.100 -0.208 0.000 0.670 248 G HN 0.451 nan 8.290 nan 0.000 0.496 249 G N -0.414 108.028 108.800 -0.597 0.000 2.562 249 G HA2 0.566 4.526 3.960 -0.001 0.000 0.275 249 G HA3 0.566 4.526 3.960 -0.001 0.000 0.275 249 G C -0.156 174.617 174.900 -0.211 0.000 1.196 249 G CA 0.605 45.302 45.100 -0.671 0.000 0.908 249 G HN 0.422 nan 8.290 nan 0.000 0.524 250 T N 0.366 114.919 114.554 -0.002 0.000 2.895 250 T HA 0.551 4.900 4.350 -0.001 0.000 0.283 250 T C 0.070 174.756 174.700 -0.023 0.000 1.014 250 T CA -0.134 61.909 62.100 -0.095 0.000 1.037 250 T CB 1.138 69.790 68.868 -0.360 0.000 1.006 250 T HN 0.603 nan 8.240 nan 0.000 0.468 251 I N -0.376 120.142 120.570 -0.086 0.000 2.582 251 I HA 0.743 4.913 4.170 -0.001 0.000 0.292 251 I C -1.418 174.627 176.117 -0.119 0.000 1.066 251 I CA -1.009 60.247 61.300 -0.074 0.000 1.053 251 I CB 2.328 40.316 38.000 -0.021 0.000 1.241 251 I HN 0.395 nan 8.210 nan 0.000 0.421 252 D N 6.097 126.425 120.400 -0.121 0.000 2.381 252 D HA 0.536 5.176 4.640 -0.001 0.000 0.235 252 D C -0.793 175.468 176.300 -0.064 0.000 1.068 252 D CA -0.302 53.635 54.000 -0.104 0.000 0.832 252 D CB 1.443 42.174 40.800 -0.116 0.000 1.101 252 D HN 0.546 nan 8.370 nan 0.000 0.515 253 I N 2.866 123.414 120.570 -0.036 0.000 2.396 253 I HA 0.207 4.377 4.170 -0.001 0.000 0.292 253 I C 0.293 176.388 176.117 -0.038 0.000 0.999 253 I CA -0.393 60.899 61.300 -0.013 0.000 1.310 253 I CB 1.702 39.699 38.000 -0.004 0.000 1.404 253 I HN 0.301 nan 8.210 nan 0.000 0.496 254 T N 4.015 118.556 114.554 -0.021 0.000 2.733 254 T HA 0.067 4.417 4.350 -0.001 0.000 0.294 254 T C 1.195 175.864 174.700 -0.052 0.000 0.956 254 T CA -0.511 61.578 62.100 -0.020 0.000 0.987 254 T CB 1.104 70.008 68.868 0.061 0.000 0.920 254 T HN 0.809 nan 8.240 nan 0.000 0.470 255 S N 2.231 117.897 115.700 -0.057 0.000 2.469 255 S HA -0.124 4.346 4.470 -0.001 0.000 0.238 255 S C 2.029 176.588 174.600 -0.068 0.000 0.998 255 S CA 1.001 59.160 58.200 -0.070 0.000 0.957 255 S CB -0.365 62.796 63.200 -0.065 0.000 0.764 255 S HN 0.680 nan 8.310 nan 0.000 0.514 256 S N 0.404 116.063 115.700 -0.068 0.000 2.558 256 S HA 0.346 4.815 4.470 -0.001 0.000 0.217 256 S C 0.422 174.976 174.600 -0.077 0.000 0.975 256 S CA -0.474 57.681 58.200 -0.075 0.000 0.912 256 S CB -0.612 62.535 63.200 -0.088 0.000 0.776 256 S HN 0.543 nan 8.310 nan 0.000 0.526 257 I N 3.580 124.104 120.570 -0.078 0.000 2.306 257 I HA 0.226 4.396 4.170 -0.001 0.000 0.288 257 I C 0.530 176.596 176.117 -0.085 0.000 1.036 257 I CA -0.551 60.700 61.300 -0.082 0.000 1.221 257 I CB 1.442 39.392 38.000 -0.083 0.000 1.385 257 I HN 0.168 nan 8.210 nan 0.000 0.472 258 D N 4.344 124.699 120.400 -0.075 0.000 2.327 258 D HA 0.029 4.669 4.640 -0.001 0.000 0.205 258 D C 0.262 176.516 176.300 -0.076 0.000 0.989 258 D CA 0.545 54.501 54.000 -0.073 0.000 0.873 258 D CB 0.440 41.206 40.800 -0.056 0.000 0.955 258 D HN 0.461 nan 8.370 nan 0.000 0.515 259 E N -0.346 119.811 120.200 -0.073 0.000 2.367 259 E HA 0.284 4.634 4.350 -0.001 0.000 0.273 259 E C -2.105 174.452 176.600 -0.073 0.000 0.903 259 E CA -1.831 54.527 56.400 -0.070 0.000 0.764 259 E CB 2.974 32.644 29.700 -0.049 0.000 1.252 259 E HN -0.157 nan 8.360 nan 0.000 0.446 260 P HA 0.040 nan 4.420 nan 0.000 0.240 260 P C -0.063 177.167 177.300 -0.117 0.000 1.190 260 P CA 0.397 63.453 63.100 -0.074 0.000 0.781 260 P CB 0.461 32.130 31.700 -0.051 0.000 0.931 261 V N 1.106 120.912 119.914 -0.181 0.000 2.313 261 V HA 0.550 4.670 4.120 -0.001 0.000 0.278 261 V C 0.628 176.564 176.094 -0.265 0.000 1.017 261 V CA -1.336 60.783 62.300 -0.301 0.000 0.823 261 V CB 0.652 32.123 31.823 -0.585 0.000 1.010 261 V HN 0.098 nan 8.190 nan 0.000 0.443 262 A N 7.497 130.195 122.820 -0.204 0.000 2.425 262 A HA 0.540 4.860 4.320 -0.001 0.000 0.242 262 A C -1.023 176.428 177.584 -0.222 0.000 1.077 262 A CA -0.936 51.001 52.037 -0.168 0.000 0.781 262 A CB 0.081 19.018 19.000 -0.105 0.000 1.020 262 A HN 0.643 nan 8.150 nan 0.000 0.494 263 P HA -0.250 nan 4.420 nan 0.000 0.214 263 P C 1.619 178.761 177.300 -0.264 0.000 1.169 263 P CA 2.704 65.688 63.100 -0.193 0.000 0.908 263 P CB -0.030 31.579 31.700 -0.151 0.000 0.791 264 A N -0.182 122.451 122.820 -0.311 0.000 1.908 264 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 264 A C 2.385 179.516 177.584 -0.756 0.000 1.181 264 A CA 1.992 53.715 52.037 -0.524 0.000 0.627 264 A CB -1.458 17.249 19.000 -0.488 0.000 0.818 264 A HN 0.260 nan 8.150 nan 0.000 0.445 265 E N -0.572 119.283 120.200 -0.574 0.000 2.077 265 E HA -0.140 4.210 4.350 -0.001 0.000 0.193 265 E C 2.069 178.479 176.600 -0.316 0.000 0.989 265 E CA 1.116 57.250 56.400 -0.444 0.000 0.800 265 E CB -0.421 29.162 29.700 -0.195 0.000 0.746 265 E HN 0.521 nan 8.360 nan 0.000 0.452 266 G N 1.127 109.727 108.800 -0.334 0.000 2.418 266 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.217 266 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.217 266 G C 1.593 176.534 174.900 0.068 0.000 1.158 266 G CA 0.809 45.771 45.100 -0.230 0.000 0.771 266 G HN 0.242 nan 8.290 nan 0.000 0.545 267 I N 1.378 121.884 120.570 -0.107 0.000 2.179 267 I HA -0.179 3.991 4.170 -0.001 0.000 0.242 267 I C 3.302 179.419 176.117 -0.000 0.000 1.088 267 I CA 0.985 62.238 61.300 -0.077 0.000 1.357 267 I CB -0.228 37.643 38.000 -0.216 0.000 1.051 267 I HN 0.243 nan 8.210 nan 0.000 0.409 268 A N 0.955 123.692 122.820 -0.138 0.000 1.902 268 A HA -0.216 4.104 4.320 -0.001 0.000 0.217 268 A C 2.382 180.063 177.584 0.161 0.000 1.181 268 A CA 1.605 53.696 52.037 0.090 0.000 0.623 268 A CB -0.593 18.372 19.000 -0.058 0.000 0.818 268 A HN 0.331 nan 8.150 nan 0.000 0.443 269 R N -0.552 120.028 120.500 0.134 0.000 2.115 269 R HA -0.015 4.324 4.340 -0.001 0.000 0.230 269 R C 2.428 178.828 176.300 0.168 0.000 1.111 269 R CA 1.017 57.231 56.100 0.190 0.000 0.976 269 R CB -0.428 30.050 30.300 0.297 0.000 0.870 269 R HN 0.522 nan 8.270 nan 0.000 0.445 270 A N 0.704 123.627 122.820 0.172 0.000 1.877 270 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 270 A C 2.335 179.962 177.584 0.071 0.000 1.186 270 A CA 1.318 53.407 52.037 0.086 0.000 0.620 270 A CB -0.557 18.487 19.000 0.074 0.000 0.822 270 A HN 0.108 nan 8.150 nan 0.000 0.443 271 V N -0.047 119.935 119.914 0.112 0.000 2.295 271 V HA -0.319 3.800 4.120 -0.001 0.000 0.246 271 V C 2.595 178.726 176.094 0.062 0.000 1.049 271 V CA 2.327 64.682 62.300 0.090 0.000 1.024 271 V CB -0.877 31.035 31.823 0.148 0.000 0.648 271 V HN 0.661 nan 8.190 nan 0.000 0.447 272 Q N -0.433 119.420 119.800 0.089 0.000 2.364 272 Q HA -0.083 4.257 4.340 -0.001 0.000 0.209 272 Q C 2.032 178.061 176.000 0.048 0.000 0.977 272 Q CA 1.353 57.197 55.803 0.070 0.000 0.885 272 Q CB -0.284 28.512 28.738 0.097 0.000 0.941 272 Q HN 0.684 nan 8.270 nan 0.000 0.464 273 A N -0.472 122.374 122.820 0.044 0.000 2.251 273 A HA 0.336 4.656 4.320 -0.001 0.000 0.209 273 A C 1.444 179.031 177.584 0.005 0.000 1.187 273 A CA 0.719 52.768 52.037 0.020 0.000 0.823 273 A CB -0.028 18.975 19.000 0.004 0.000 0.846 273 A HN 0.416 nan 8.150 nan 0.000 0.486 274 G N -1.113 107.692 108.800 0.008 0.000 2.159 274 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.227 274 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.227 274 G C 0.019 174.914 174.900 -0.008 0.000 0.986 274 G CA 0.075 45.174 45.100 -0.003 0.000 0.651 274 G HN 0.402 nan 8.290 nan 0.000 0.523 275 I N 2.984 123.551 120.570 -0.004 0.000 2.365 275 I HA 0.366 4.535 4.170 -0.001 0.000 0.291 275 I C -1.570 174.549 176.117 0.003 0.000 1.004 275 I CA -2.371 58.923 61.300 -0.010 0.000 1.311 275 I CB 1.314 39.302 38.000 -0.020 0.000 1.401 275 I HN -0.102 nan 8.210 nan 0.000 0.491 276 P HA 0.107 nan 4.420 nan 0.000 0.271 276 P C 0.753 178.064 177.300 0.018 0.000 1.218 276 P CA -0.246 62.858 63.100 0.007 0.000 0.780 276 P CB 0.931 32.632 31.700 0.002 0.000 0.901 277 L N 1.731 122.975 121.223 0.034 0.000 2.187 277 L HA -0.226 4.114 4.340 -0.001 0.000 0.213 277 L C 2.382 179.272 176.870 0.034 0.000 1.100 277 L CA 1.664 56.534 54.840 0.050 0.000 0.765 277 L CB -0.742 41.361 42.059 0.074 0.000 0.904 277 L HN 0.433 nan 8.230 nan 0.000 0.437 278 A N -0.184 122.654 122.820 0.030 0.000 2.019 278 A HA -0.159 4.160 4.320 -0.001 0.000 0.219 278 A C 2.105 179.702 177.584 0.023 0.000 1.164 278 A CA 1.204 53.261 52.037 0.034 0.000 0.644 278 A CB -0.312 18.709 19.000 0.035 0.000 0.805 278 A HN 0.362 nan 8.150 nan 0.000 0.449 279 R N -0.688 119.813 120.500 0.002 0.000 2.426 279 R HA 0.269 4.608 4.340 -0.001 0.000 0.263 279 R C -1.054 175.212 176.300 -0.057 0.000 0.961 279 R CA 0.031 56.114 56.100 -0.029 0.000 1.086 279 R CB 0.382 30.661 30.300 -0.034 0.000 1.186 279 R HN 0.275 nan 8.270 nan 0.000 0.537 280 V N 0.939 120.829 119.914 -0.040 0.000 2.577 280 V HA 0.291 4.411 4.120 -0.001 0.000 0.303 280 V C 0.118 176.181 176.094 -0.052 0.000 1.042 280 V CA -0.790 61.485 62.300 -0.042 0.000 0.872 280 V CB 1.929 33.751 31.823 -0.001 0.000 0.998 280 V HN 0.231 nan 8.190 nan 0.000 0.423 281 T N 2.441 116.946 114.554 -0.081 0.000 2.916 281 T HA 0.867 5.217 4.350 -0.001 0.000 0.292 281 T C -1.107 173.555 174.700 -0.064 0.000 1.055 281 T CA -0.812 61.244 62.100 -0.072 0.000 1.009 281 T CB 2.147 70.957 68.868 -0.095 0.000 1.118 281 T HN 0.492 nan 8.240 nan 0.000 0.497 282 L N 2.028 123.215 121.223 -0.060 0.000 2.381 282 L HA 0.781 5.121 4.340 -0.001 0.000 0.274 282 L C -0.492 176.356 176.870 -0.036 0.000 0.988 282 L CA -0.029 54.770 54.840 -0.067 0.000 0.824 282 L CB 2.032 44.024 42.059 -0.112 0.000 1.263 282 L HN 1.143 nan 8.230 nan 0.000 0.410 283 S N 1.218 116.909 115.700 -0.015 0.000 2.595 283 S HA 0.540 5.010 4.470 -0.001 0.000 0.281 283 S C 0.488 175.105 174.600 0.028 0.000 1.117 283 S CA 0.003 58.229 58.200 0.043 0.000 0.873 283 S CB 1.522 64.783 63.200 0.102 0.000 1.108 283 S HN 0.746 nan 8.310 nan 0.000 0.477 284 S N 0.103 115.855 115.700 0.087 0.000 2.421 284 S HA 0.085 4.554 4.470 -0.001 0.000 0.224 284 S C 0.608 175.207 174.600 -0.001 0.000 1.035 284 S CA 1.068 59.293 58.200 0.041 0.000 0.953 284 S CB -0.812 62.440 63.200 0.087 0.000 0.810 284 S HN 1.044 nan 8.310 nan 0.000 0.497 285 D N 1.310 121.756 120.400 0.077 0.000 2.907 285 D HA -0.093 4.546 4.640 -0.001 0.000 0.226 285 D C 0.277 176.665 176.300 0.146 0.000 1.141 285 D CA 0.948 55.045 54.000 0.161 0.000 0.779 285 D CB -1.673 39.135 40.800 0.012 0.000 1.095 285 D HN 0.685 nan 8.370 nan 0.000 0.430 286 G N 0.168 108.983 108.800 0.025 0.000 2.414 286 G HA2 0.286 4.245 3.960 -0.001 0.000 0.236 286 G HA3 0.286 4.245 3.960 -0.001 0.000 0.236 286 G C 0.883 175.759 174.900 -0.040 0.000 1.293 286 G CA 0.668 45.542 45.100 -0.377 0.000 0.869 286 G HN 0.407 nan 8.290 nan 0.000 0.556 287 N N -1.119 117.497 118.700 -0.140 0.000 2.965 287 N HA -0.145 4.594 4.740 -0.001 0.000 0.232 287 N C 1.035 176.565 175.510 0.033 0.000 0.913 287 N CA 1.738 54.814 53.050 0.043 0.000 0.981 287 N CB -1.291 37.322 38.487 0.209 0.000 1.077 287 N HN 1.006 nan 8.380 nan 0.000 0.589 288 G N -1.024 107.773 108.800 -0.005 0.000 2.563 288 G HA2 0.541 4.501 3.960 -0.001 0.000 0.283 288 G HA3 0.541 4.501 3.960 -0.001 0.000 0.283 288 G C 0.199 175.035 174.900 -0.107 0.000 1.309 288 G CA 0.335 45.343 45.100 -0.154 0.000 1.022 288 G HN 0.532 nan 8.290 nan 0.000 0.501 305 A N 4.934 127.692 122.820 -0.103 0.000 2.511 305 A HA 0.728 5.047 4.320 -0.001 0.000 0.242 305 A C 0.937 178.353 177.584 -0.281 0.000 1.069 305 A CA 0.868 52.812 52.037 -0.154 0.000 0.763 305 A CB 0.521 19.434 19.000 -0.144 0.000 1.001 305 A HN 1.928 nan 8.150 nan 0.000 0.498 306 G N -0.282 108.357 108.800 -0.270 0.000 2.702 306 G HA2 0.536 4.495 3.960 -0.001 0.000 0.254 306 G HA3 0.536 4.495 3.960 -0.001 0.000 0.254 306 G C -0.231 174.324 174.900 -0.575 0.000 1.380 306 G CA -0.420 44.466 45.100 -0.358 0.000 1.042 306 G HN 0.562 nan 8.290 nan 0.000 0.557 307 F N -0.214 119.771 119.950 0.058 0.000 2.682 307 F HA 0.194 4.721 4.527 -0.000 0.000 0.308 307 F C 2.434 178.275 175.800 0.068 0.000 1.093 307 F CA 0.007 58.049 58.000 0.070 0.000 1.244 307 F CB 0.662 39.716 39.000 0.089 0.000 1.052 307 F HN 0.437 nan 8.300 nan 0.000 0.573 308 E N 0.512 120.817 120.200 0.175 0.000 2.268 308 E HA -0.163 4.186 4.350 -0.001 0.000 0.195 308 E C 1.484 178.133 176.600 0.082 0.000 0.995 308 E CA 1.745 58.222 56.400 0.128 0.000 0.836 308 E CB -1.202 28.549 29.700 0.086 0.000 0.763 308 E HN 0.434 nan 8.360 nan 0.000 0.491 309 T N -0.752 113.828 114.554 0.044 0.000 3.072 309 T HA 0.059 4.409 4.350 -0.001 0.000 0.266 309 T C 2.062 176.756 174.700 -0.010 0.000 1.127 309 T CA 0.375 62.477 62.100 0.003 0.000 1.107 309 T CB -0.301 68.550 68.868 -0.028 0.000 0.910 309 T HN 0.079 nan 8.240 nan 0.000 0.513 310 L N -0.176 121.063 121.223 0.027 0.000 1.973 310 L HA 0.066 4.406 4.340 -0.001 0.000 0.208 310 L C 2.556 179.364 176.870 -0.104 0.000 1.073 310 L CA 1.061 55.867 54.840 -0.056 0.000 0.746 310 L CB -0.692 41.354 42.059 -0.022 0.000 0.891 310 L HN 0.236 nan 8.230 nan 0.000 0.433 311 L N 0.133 121.385 121.223 0.049 0.000 2.042 311 L HA -0.217 4.123 4.340 -0.001 0.000 0.210 311 L C 2.389 179.282 176.870 0.039 0.000 1.076 311 L CA 1.761 56.676 54.840 0.125 0.000 0.749 311 L CB -0.542 41.678 42.059 0.267 0.000 0.893 311 L HN 0.227 nan 8.230 nan 0.000 0.432 312 E N -1.130 119.086 120.200 0.026 0.000 2.118 312 E HA -0.210 4.139 4.350 -0.001 0.000 0.195 312 E C 1.905 178.482 176.600 -0.037 0.000 0.992 312 E CA 1.705 58.107 56.400 0.003 0.000 0.804 312 E CB -0.318 29.382 29.700 0.000 0.000 0.741 312 E HN 0.570 nan 8.360 nan 0.000 0.458 313 T N 0.815 115.323 114.554 -0.077 0.000 2.788 313 T HA -0.122 4.228 4.350 -0.001 0.000 0.268 313 T C 2.119 176.731 174.700 -0.147 0.000 1.044 313 T CA 0.974 62.998 62.100 -0.127 0.000 1.139 313 T CB -0.193 68.579 68.868 -0.161 0.000 0.867 313 T HN -0.010 nan 8.240 nan 0.000 0.454 314 V N 1.634 121.469 119.914 -0.132 0.000 2.343 314 V HA -0.241 3.878 4.120 -0.001 0.000 0.247 314 V C 2.624 178.679 176.094 -0.064 0.000 1.051 314 V CA 1.710 63.942 62.300 -0.113 0.000 1.036 314 V CB -0.688 31.093 31.823 -0.069 0.000 0.654 314 V HN 0.529 nan 8.190 nan 0.000 0.451 315 Q N -0.690 119.094 119.800 -0.028 0.000 2.084 315 Q HA -0.159 4.180 4.340 -0.001 0.000 0.202 315 Q C 2.359 178.361 176.000 0.003 0.000 0.978 315 Q CA 1.753 57.553 55.803 -0.003 0.000 0.844 315 Q CB -0.334 28.411 28.738 0.012 0.000 0.898 315 Q HN 0.524 nan 8.270 nan 0.000 0.426 316 V N 1.103 121.015 119.914 -0.004 0.000 2.407 316 V HA -0.251 3.868 4.120 -0.001 0.000 0.248 316 V C 2.172 178.326 176.094 0.100 0.000 1.055 316 V CA 1.453 63.780 62.300 0.045 0.000 1.049 316 V CB -0.450 31.396 31.823 0.038 0.000 0.662 316 V HN 0.328 nan 8.190 nan 0.000 0.455 317 L N -0.773 120.418 121.223 -0.053 0.000 2.012 317 L HA -0.176 4.164 4.340 -0.001 0.000 0.210 317 L C 2.430 179.344 176.870 0.074 0.000 1.073 317 L CA 1.301 56.037 54.840 -0.174 0.000 0.748 317 L CB -0.614 41.079 42.059 -0.610 0.000 0.891 317 L HN 0.182 nan 8.230 nan 0.000 0.431 318 V N 0.232 120.185 119.914 0.064 0.000 2.244 318 V HA -0.300 3.819 4.120 -0.001 0.000 0.244 318 V C 2.571 178.727 176.094 0.103 0.000 1.042 318 V CA 2.177 64.545 62.300 0.113 0.000 1.006 318 V CB -0.664 31.187 31.823 0.048 0.000 0.641 318 V HN 0.531 nan 8.190 nan 0.000 0.446 319 K N 0.239 120.678 120.400 0.066 0.000 1.991 319 K HA -0.256 4.063 4.320 -0.001 0.000 0.212 319 K C 1.445 178.063 176.600 0.030 0.000 1.049 319 K CA 2.454 58.767 56.287 0.043 0.000 0.932 319 K CB -0.419 32.096 32.500 0.026 0.000 0.717 319 K HN 0.446 nan 8.250 nan 0.000 0.441 320 D N -1.190 119.231 120.400 0.036 0.000 2.379 320 D HA 0.020 4.659 4.640 -0.001 0.000 0.208 320 D C 0.474 176.609 176.300 -0.274 0.000 1.065 320 D CA 0.388 54.312 54.000 -0.126 0.000 0.848 320 D CB 0.317 40.984 40.800 -0.221 0.000 0.949 320 D HN 0.309 nan 8.370 nan 0.000 0.509 321 Y N 0.306 120.644 120.300 0.064 0.000 2.612 321 Y HA 0.120 4.670 4.550 -0.001 0.000 0.250 321 Y C 0.200 176.267 175.900 0.279 0.000 1.175 321 Y CA -0.556 57.635 58.100 0.151 0.000 1.205 321 Y CB 0.675 39.201 38.460 0.110 0.000 1.201 321 Y HN -0.224 nan 8.280 nan 0.000 0.532 322 D N -0.881 119.688 120.400 0.282 0.000 3.041 322 D HA -0.241 4.398 4.640 -0.001 0.000 0.220 322 D C -0.703 175.751 176.300 0.256 0.000 1.157 322 D CA 0.431 54.557 54.000 0.210 0.000 0.876 322 D CB -1.527 39.347 40.800 0.122 0.000 1.107 322 D HN 0.084 nan 8.370 nan 0.000 0.422 323 F N 1.026 121.023 119.950 0.078 0.000 2.375 323 F HA 0.433 4.960 4.527 -0.001 0.000 0.333 323 F C 1.472 177.289 175.800 0.028 0.000 1.104 323 F CA -0.256 57.774 58.000 0.051 0.000 1.149 323 F CB 1.180 40.202 39.000 0.037 0.000 1.190 323 F HN 0.032 nan 8.300 nan 0.000 0.533 324 S N 2.521 118.285 115.700 0.107 0.000 2.614 324 S HA 0.310 4.780 4.470 -0.001 0.000 0.265 324 S C 1.309 175.966 174.600 0.095 0.000 1.303 324 S CA -0.655 57.598 58.200 0.088 0.000 1.000 324 S CB 0.541 63.779 63.200 0.065 0.000 0.935 324 S HN 0.557 nan 8.310 nan 0.000 0.551 325 I N 1.054 121.609 120.570 -0.025 0.000 2.179 325 I HA -0.184 3.985 4.170 -0.001 0.000 0.242 325 I C 2.852 178.901 176.117 -0.112 0.000 1.088 325 I CA 1.299 62.481 61.300 -0.196 0.000 1.357 325 I CB -0.819 36.791 38.000 -0.649 0.000 1.051 325 I HN 0.717 nan 8.210 nan 0.000 0.409 326 S N 0.611 116.313 115.700 0.005 0.000 2.369 326 S HA -0.260 4.209 4.470 -0.001 0.000 0.225 326 S C 1.670 176.338 174.600 0.114 0.000 1.043 326 S CA 2.032 60.313 58.200 0.135 0.000 1.074 326 S CB -0.352 62.962 63.200 0.190 0.000 0.962 326 S HN 0.436 nan 8.310 nan 0.000 0.433 327 D N 1.074 121.551 120.400 0.127 0.000 2.117 327 D HA 0.007 4.646 4.640 -0.001 0.000 0.197 327 D C 2.078 178.539 176.300 0.267 0.000 0.987 327 D CA 1.201 55.308 54.000 0.178 0.000 0.829 327 D CB -0.530 40.339 40.800 0.114 0.000 0.961 327 D HN 0.399 nan 8.370 nan 0.000 0.460 328 A N 0.321 123.304 122.820 0.271 0.000 2.070 328 A HA -0.098 4.222 4.320 -0.001 0.000 0.220 328 A C 2.282 179.878 177.584 0.019 0.000 1.159 328 A CA 0.789 52.895 52.037 0.115 0.000 0.656 328 A CB -0.582 18.438 19.000 0.034 0.000 0.800 328 A HN 0.230 nan 8.150 nan 0.000 0.453 329 L N -1.499 119.754 121.223 0.049 0.000 2.240 329 L HA -0.070 4.270 4.340 -0.001 0.000 0.211 329 L C 2.671 179.571 176.870 0.050 0.000 1.106 329 L CA 0.562 55.433 54.840 0.052 0.000 0.793 329 L CB -0.377 41.742 42.059 0.100 0.000 0.927 329 L HN 0.338 nan 8.230 nan 0.000 0.446 330 R N 0.417 120.958 120.500 0.068 0.000 2.113 330 R HA -0.197 4.143 4.340 -0.001 0.000 0.244 330 R C -0.498 175.823 176.300 0.035 0.000 1.142 330 R CA 1.791 57.930 56.100 0.066 0.000 0.953 330 R CB -1.668 28.679 30.300 0.079 0.000 0.860 330 R HN 0.321 nan 8.270 nan 0.000 0.438 331 P HA -0.123 nan 4.420 nan 0.000 0.223 331 P C 0.713 177.985 177.300 -0.047 0.000 1.144 331 P CA 1.286 64.369 63.100 -0.028 0.000 0.783 331 P CB 0.109 31.775 31.700 -0.057 0.000 0.771 332 L N -2.341 118.842 121.223 -0.067 0.000 2.766 332 L HA 0.175 4.515 4.340 -0.001 0.000 0.242 332 L C 1.520 178.430 176.870 0.068 0.000 1.136 332 L CA 0.487 55.277 54.840 -0.083 0.000 0.933 332 L CB -0.101 41.725 42.059 -0.388 0.000 1.241 332 L HN 0.142 nan 8.230 nan 0.000 0.522 333 T N -5.528 109.078 114.554 0.087 0.000 2.639 333 T HA 0.012 4.361 4.350 -0.001 0.000 0.156 333 T C 1.682 176.440 174.700 0.097 0.000 0.817 333 T CA 0.599 62.778 62.100 0.131 0.000 0.914 333 T CB -0.321 68.648 68.868 0.168 0.000 2.461 333 T HN 0.023 nan 8.240 nan 0.000 0.367 334 S N 2.026 117.780 115.700 0.089 0.000 2.374 334 S HA -0.137 4.333 4.470 -0.001 0.000 0.227 334 S C 2.260 176.902 174.600 0.070 0.000 1.037 334 S CA 1.852 60.097 58.200 0.075 0.000 1.024 334 S CB -1.368 61.875 63.200 0.072 0.000 0.861 334 S HN 0.531 nan 8.310 nan 0.000 0.456 335 S N 1.579 117.319 115.700 0.066 0.000 2.368 335 S HA -0.037 4.432 4.470 -0.001 0.000 0.225 335 S C 2.001 176.659 174.600 0.096 0.000 1.030 335 S CA 1.326 59.566 58.200 0.067 0.000 0.999 335 S CB -0.654 62.571 63.200 0.041 0.000 0.844 335 S HN 0.474 nan 8.310 nan 0.000 0.459 336 V N 2.027 121.993 119.914 0.086 0.000 2.358 336 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 336 V C 2.673 178.827 176.094 0.100 0.000 1.047 336 V CA 1.570 63.938 62.300 0.113 0.000 1.035 336 V CB -1.303 30.572 31.823 0.086 0.000 0.658 336 V HN 0.530 nan 8.190 nan 0.000 0.452 337 A N 0.757 123.612 122.820 0.060 0.000 1.933 337 A HA -0.064 4.255 4.320 -0.001 0.000 0.218 337 A C 2.395 179.981 177.584 0.003 0.000 1.175 337 A CA 1.941 53.985 52.037 0.011 0.000 0.628 337 A CB -1.164 17.852 19.000 0.025 0.000 0.814 337 A HN 0.523 nan 8.150 nan 0.000 0.444 338 G N -1.399 107.430 108.800 0.047 0.000 2.402 338 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.216 338 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.216 338 G C 1.452 176.389 174.900 0.062 0.000 1.162 338 G CA 1.071 46.199 45.100 0.046 0.000 0.777 338 G HN 0.484 nan 8.290 nan 0.000 0.539 339 F N 0.949 120.882 119.950 -0.029 0.000 2.171 339 F HA 0.149 4.675 4.527 -0.001 0.000 0.300 339 F C 2.040 177.807 175.800 -0.054 0.000 1.090 339 F CA 1.030 59.013 58.000 -0.029 0.000 1.293 339 F CB 0.046 39.039 39.000 -0.012 0.000 1.013 339 F HN 0.007 nan 8.300 nan 0.000 0.486 340 L N 0.418 121.550 121.223 -0.152 0.000 2.607 340 L HA 0.075 4.415 4.340 -0.001 0.000 0.228 340 L C -0.052 176.649 176.870 -0.283 0.000 1.123 340 L CA 0.092 54.757 54.840 -0.291 0.000 0.890 340 L CB -0.603 41.330 42.059 -0.210 0.000 1.103 340 L HN 0.140 nan 8.230 nan 0.000 0.468 341 N N 0.696 119.275 118.700 -0.202 0.000 2.738 341 N HA -0.194 4.546 4.740 -0.001 0.000 0.249 341 N C -0.366 175.037 175.510 -0.179 0.000 1.047 341 N CA 0.738 53.693 53.050 -0.160 0.000 0.707 341 N CB -1.934 36.458 38.487 -0.158 0.000 0.937 341 N HN 0.321 nan 8.380 nan 0.000 0.545 342 L N 0.710 121.820 121.223 -0.188 0.000 2.375 342 L HA 0.138 4.478 4.340 -0.001 0.000 0.276 342 L C 0.601 177.427 176.870 -0.073 0.000 1.162 342 L CA -0.160 54.548 54.840 -0.219 0.000 0.991 342 L CB -0.000 41.880 42.059 -0.297 0.000 1.315 342 L HN -0.004 nan 8.230 nan 0.000 0.431 343 T N 1.923 116.452 114.554 -0.042 0.000 2.871 343 T HA 0.198 4.548 4.350 -0.001 0.000 0.296 343 T C 1.265 175.994 174.700 0.048 0.000 0.998 343 T CA 1.019 63.124 62.100 0.008 0.000 1.162 343 T CB 0.909 69.787 68.868 0.018 0.000 0.947 343 T HN 0.969 nan 8.240 nan 0.000 0.536 344 G N 2.471 111.300 108.800 0.047 0.000 2.175 344 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.244 344 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.244 344 G C 0.139 175.085 174.900 0.075 0.000 0.982 344 G CA -0.143 44.995 45.100 0.063 0.000 0.641 344 G HN 0.583 nan 8.290 nan 0.000 0.527 345 K N -0.410 120.033 120.400 0.072 0.000 2.238 345 K HA 0.704 5.023 4.320 -0.001 0.000 0.239 345 K C 1.282 177.925 176.600 0.073 0.000 0.987 345 K CA -0.149 56.189 56.287 0.086 0.000 0.857 345 K CB 0.979 33.538 32.500 0.099 0.000 1.154 345 K HN 1.204 nan 8.250 nan 0.000 0.439 346 G N 0.581 109.435 108.800 0.091 0.000 2.184 346 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.264 346 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.264 346 G C -0.328 174.627 174.900 0.090 0.000 0.975 346 G CA 0.600 45.758 45.100 0.096 0.000 0.642 346 G HN 0.521 nan 8.290 nan 0.000 0.536 347 E N -1.060 119.187 120.200 0.078 0.000 2.343 347 E HA 0.519 4.869 4.350 -0.001 0.000 0.278 347 E C -0.716 175.922 176.600 0.063 0.000 0.910 347 E CA -0.988 55.456 56.400 0.072 0.000 0.757 347 E CB 1.823 31.559 29.700 0.060 0.000 1.218 347 E HN 0.158 nan 8.360 nan 0.000 0.435 348 I N 3.896 124.504 120.570 0.062 0.000 2.260 348 I HA 0.214 4.383 4.170 -0.001 0.000 0.297 348 I C -0.763 175.376 176.117 0.037 0.000 1.143 348 I CA 0.262 61.590 61.300 0.048 0.000 1.271 348 I CB -0.084 37.946 38.000 0.049 0.000 1.461 348 I HN 0.200 nan 8.210 nan 0.000 0.530 349 L N 7.465 128.708 121.223 0.032 0.000 2.434 349 L HA 0.537 4.877 4.340 -0.001 0.000 0.260 349 L C -2.516 174.368 176.870 0.023 0.000 0.983 349 L CA -2.167 52.688 54.840 0.026 0.000 0.820 349 L CB 2.422 44.498 42.059 0.028 0.000 1.361 349 L HN 0.183 nan 8.230 nan 0.000 0.410 350 P HA 0.108 nan 4.420 nan 0.000 0.265 350 P C 0.734 178.047 177.300 0.022 0.000 1.193 350 P CA 0.886 63.997 63.100 0.018 0.000 0.765 350 P CB 0.757 32.465 31.700 0.014 0.000 0.823 351 G N 1.734 110.549 108.800 0.026 0.000 2.258 351 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.233 351 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.233 351 G C 0.454 175.374 174.900 0.033 0.000 1.006 351 G CA -0.336 44.781 45.100 0.028 0.000 0.620 351 G HN 0.526 nan 8.290 nan 0.000 0.511 352 N N 1.646 120.367 118.700 0.035 0.000 2.408 352 N HA 0.461 5.201 4.740 -0.001 0.000 0.260 352 N C -0.260 175.277 175.510 0.045 0.000 1.242 352 N CA -0.383 52.692 53.050 0.043 0.000 0.959 352 N CB 0.374 38.888 38.487 0.046 0.000 1.201 352 N HN 0.204 nan 8.380 nan 0.000 0.511 353 D N 0.018 120.452 120.400 0.057 0.000 2.372 353 D HA 0.167 4.807 4.640 -0.001 0.000 0.243 353 D C -0.159 176.173 176.300 0.052 0.000 1.121 353 D CA -0.092 53.943 54.000 0.057 0.000 0.898 353 D CB 0.509 41.354 40.800 0.075 0.000 1.202 353 D HN 0.467 nan 8.370 nan 0.000 0.428 354 A N 2.515 125.362 122.820 0.045 0.000 3.048 354 A HA 0.105 4.424 4.320 -0.001 0.000 0.264 354 A C -0.491 177.136 177.584 0.071 0.000 1.796 354 A CA -0.301 51.759 52.037 0.038 0.000 1.445 354 A CB -0.374 18.636 19.000 0.016 0.000 1.074 354 A HN 0.229 nan 8.150 nan 0.000 0.621 355 D N 1.617 122.060 120.400 0.072 0.000 2.473 355 D HA 0.544 5.184 4.640 -0.001 0.000 0.226 355 D C -0.447 175.898 176.300 0.075 0.000 1.089 355 D CA 0.375 54.426 54.000 0.084 0.000 0.883 355 D CB 1.024 41.873 40.800 0.082 0.000 1.029 355 D HN 0.381 nan 8.370 nan 0.000 0.517 356 L N 1.285 122.572 121.223 0.106 0.000 2.409 356 L HA 0.550 4.889 4.340 -0.001 0.000 0.262 356 L C -0.523 176.410 176.870 0.105 0.000 0.992 356 L CA -0.958 53.934 54.840 0.087 0.000 0.817 356 L CB 2.145 44.234 42.059 0.050 0.000 1.350 356 L HN -0.004 nan 8.230 nan 0.000 0.411 357 L N 2.077 123.320 121.223 0.034 0.000 2.334 357 L HA 0.681 5.021 4.340 -0.001 0.000 0.276 357 L C -0.772 176.130 176.870 0.054 0.000 1.014 357 L CA -1.051 53.787 54.840 -0.003 0.000 0.815 357 L CB 2.191 44.158 42.059 -0.154 0.000 1.268 357 L HN 0.216 nan 8.230 nan 0.000 0.428 358 V N 3.582 123.538 119.914 0.069 0.000 2.357 358 V HA 0.502 4.622 4.120 -0.001 0.000 0.284 358 V C 0.110 176.231 176.094 0.045 0.000 1.018 358 V CA -0.209 62.140 62.300 0.082 0.000 0.841 358 V CB 1.460 33.358 31.823 0.125 0.000 0.991 358 V HN 0.718 nan 8.190 nan 0.000 0.437 359 M N 3.070 122.699 119.600 0.048 0.000 2.716 359 M HA 0.528 5.008 4.480 -0.001 0.000 0.307 359 M C 0.271 176.600 176.300 0.048 0.000 1.223 359 M CA -0.609 54.713 55.300 0.037 0.000 0.871 359 M CB 2.736 35.352 32.600 0.028 0.000 1.739 359 M HN 0.702 nan 8.290 nan 0.000 0.475 360 T N -2.439 112.139 114.554 0.039 0.000 2.849 360 T HA 0.330 4.680 4.350 -0.001 0.000 0.284 360 T C -2.164 172.561 174.700 0.042 0.000 1.004 360 T CA -1.520 60.606 62.100 0.042 0.000 1.021 360 T CB 0.501 69.390 68.868 0.035 0.000 1.013 360 T HN 0.366 nan 8.240 nan 0.000 0.527 361 P HA -0.060 nan 4.420 nan 0.000 0.225 361 P C 1.011 178.327 177.300 0.027 0.000 1.148 361 P CA 0.847 63.976 63.100 0.048 0.000 0.779 361 P CB 0.003 31.740 31.700 0.061 0.000 0.780 362 E N 0.161 120.376 120.200 0.026 0.000 2.437 362 E HA 0.088 4.438 4.350 -0.001 0.000 0.189 362 E C 0.412 177.022 176.600 0.018 0.000 1.054 362 E CA -0.227 56.185 56.400 0.020 0.000 0.874 362 E CB -0.524 29.190 29.700 0.023 0.000 1.011 362 E HN 0.231 nan 8.360 nan 0.000 0.474 363 L N 0.387 121.620 121.223 0.016 0.000 3.600 363 L HA -0.218 4.121 4.340 -0.001 0.000 0.424 363 L C 0.263 177.154 176.870 0.036 0.000 1.260 363 L CA 0.352 55.204 54.840 0.021 0.000 0.883 363 L CB -1.852 40.216 42.059 0.016 0.000 1.895 363 L HN 0.288 nan 8.230 nan 0.000 0.827 364 R N 1.129 121.648 120.500 0.031 0.000 2.460 364 R HA 0.713 5.053 4.340 -0.001 0.000 0.303 364 R C 0.021 176.336 176.300 0.024 0.000 0.968 364 R CA -0.871 55.248 56.100 0.032 0.000 0.889 364 R CB 1.306 31.623 30.300 0.028 0.000 1.123 364 R HN 0.260 nan 8.270 nan 0.000 0.455 365 I N 4.108 124.689 120.570 0.018 0.000 2.533 365 I HA -0.031 4.138 4.170 -0.001 0.000 0.284 365 I C 0.884 177.000 176.117 -0.002 0.000 1.109 365 I CA 0.497 61.794 61.300 -0.005 0.000 1.412 365 I CB 1.206 39.190 38.000 -0.027 0.000 1.396 365 I HN 0.838 nan 8.210 nan 0.000 0.543 366 E N 4.016 124.216 120.200 0.000 0.000 2.279 366 E HA 0.120 4.470 4.350 -0.001 0.000 0.199 366 E C -0.176 176.416 176.600 -0.013 0.000 0.893 366 E CA 0.203 56.605 56.400 0.004 0.000 0.978 366 E CB 0.575 30.289 29.700 0.023 0.000 0.964 366 E HN 0.624 nan 8.360 nan 0.000 0.486 367 Q N 0.474 120.271 119.800 -0.004 0.000 2.433 367 Q HA 0.604 4.944 4.340 -0.001 0.000 0.279 367 Q C -1.302 174.667 176.000 -0.050 0.000 1.105 367 Q CA -0.766 55.009 55.803 -0.046 0.000 0.815 367 Q CB 3.470 32.211 28.738 0.005 0.000 1.403 367 Q HN -0.111 nan 8.270 nan 0.000 0.435 368 V N 1.544 121.357 119.914 -0.169 0.000 2.733 368 V HA 0.423 4.543 4.120 -0.001 0.000 0.306 368 V C -1.691 174.222 176.094 -0.301 0.000 1.084 368 V CA -0.811 61.412 62.300 -0.128 0.000 0.905 368 V CB 1.362 33.108 31.823 -0.127 0.000 1.010 368 V HN 0.638 nan 8.190 nan 0.000 0.424 369 Y N 2.194 122.472 120.300 -0.036 0.000 2.393 369 Y HA 0.806 5.356 4.550 -0.001 0.000 0.341 369 Y C 0.325 176.212 175.900 -0.023 0.000 0.988 369 Y CA -0.672 57.414 58.100 -0.023 0.000 1.078 369 Y CB 2.305 40.759 38.460 -0.010 0.000 1.203 369 Y HN 0.745 nan 8.280 nan 0.000 0.453 370 A N 2.826 125.701 122.820 0.092 0.000 2.335 370 A HA 0.712 5.031 4.320 -0.001 0.000 0.304 370 A C -0.009 177.613 177.584 0.064 0.000 1.118 370 A CA -1.124 50.947 52.037 0.057 0.000 0.757 370 A CB 0.436 19.438 19.000 0.004 0.000 1.188 370 A HN 0.948 nan 8.150 nan 0.000 0.460 371 R N 1.496 122.035 120.500 0.066 0.000 3.502 371 R HA -0.245 4.095 4.340 -0.001 0.000 0.266 371 R C 1.186 177.525 176.300 0.064 0.000 1.077 371 R CA 1.463 57.593 56.100 0.051 0.000 0.718 371 R CB -1.958 28.356 30.300 0.024 0.000 1.120 371 R HN 2.470 nan 8.270 nan 0.000 0.457 372 G N -0.599 108.267 108.800 0.110 0.000 2.184 372 G HA2 -0.425 3.535 3.960 -0.001 0.000 0.264 372 G HA3 -0.425 3.535 3.960 -0.001 0.000 0.264 372 G C 0.108 175.136 174.900 0.213 0.000 0.975 372 G CA 0.661 45.845 45.100 0.139 0.000 0.642 372 G HN 0.463 nan 8.290 nan 0.000 0.536 373 K N 0.344 120.831 120.400 0.145 0.000 2.156 373 K HA 0.614 4.934 4.320 -0.001 0.000 0.271 373 K C 0.167 176.755 176.600 -0.019 0.000 0.995 373 K CA -1.071 55.261 56.287 0.074 0.000 0.890 373 K CB 0.830 33.334 32.500 0.008 0.000 1.073 373 K HN 0.178 nan 8.250 nan 0.000 0.454 374 L N 5.867 127.015 121.223 -0.124 0.000 2.433 374 L HA 0.050 4.389 4.340 -0.001 0.000 0.275 374 L C 0.558 177.261 176.870 -0.278 0.000 1.128 374 L CA 0.532 55.111 54.840 -0.434 0.000 0.875 374 L CB 0.524 42.382 42.059 -0.336 0.000 1.171 374 L HN 0.839 nan 8.230 nan 0.000 0.463 375 M N 4.443 123.863 119.600 -0.301 0.000 2.571 375 M HA 0.282 4.762 4.480 -0.001 0.000 0.259 375 M C -0.176 176.030 176.300 -0.157 0.000 1.205 375 M CA 0.451 55.645 55.300 -0.178 0.000 1.138 375 M CB 0.161 32.678 32.600 -0.139 0.000 1.329 375 M HN 0.333 nan 8.290 nan 0.000 0.503 376 V N 0.928 120.726 119.914 -0.193 0.000 2.760 376 V HA 0.462 4.582 4.120 -0.001 0.000 0.309 376 V C -0.631 175.375 176.094 -0.146 0.000 1.077 376 V CA -1.017 61.201 62.300 -0.137 0.000 0.910 376 V CB 3.240 34.995 31.823 -0.113 0.000 1.008 376 V HN 0.141 nan 8.190 nan 0.000 0.424 377 K N 2.361 122.702 120.400 -0.097 0.000 2.427 377 K HA 0.397 4.717 4.320 -0.001 0.000 0.252 377 K C -0.705 175.870 176.600 -0.041 0.000 0.931 377 K CA -0.521 55.721 56.287 -0.075 0.000 0.793 377 K CB 1.549 34.007 32.500 -0.071 0.000 1.211 377 K HN 0.778 nan 8.250 nan 0.000 0.426 378 D N 2.584 122.970 120.400 -0.024 0.000 2.751 378 D HA -0.199 4.440 4.640 -0.001 0.000 0.233 378 D C 0.582 176.875 176.300 -0.011 0.000 1.149 378 D CA 1.743 55.736 54.000 -0.010 0.000 0.682 378 D CB -1.047 39.750 40.800 -0.006 0.000 1.068 378 D HN 1.088 nan 8.370 nan 0.000 0.429 379 G N -0.514 108.276 108.800 -0.018 0.000 2.162 379 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.260 379 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.260 379 G C 0.227 175.117 174.900 -0.017 0.000 0.976 379 G CA 0.916 46.007 45.100 -0.014 0.000 0.655 379 G HN 0.488 nan 8.290 nan 0.000 0.533 380 K N 0.082 120.466 120.400 -0.026 0.000 2.378 380 K HA 0.705 5.025 4.320 -0.001 0.000 0.252 380 K C 0.377 176.952 176.600 -0.041 0.000 0.931 380 K CA -0.260 56.012 56.287 -0.026 0.000 0.794 380 K CB 2.020 34.511 32.500 -0.016 0.000 1.181 380 K HN 0.577 nan 8.250 nan 0.000 0.425 381 A N 1.315 124.112 122.820 -0.039 0.000 2.548 381 A HA 0.017 4.337 4.320 -0.001 0.000 0.247 381 A C 0.963 178.516 177.584 -0.051 0.000 1.067 381 A CA -0.108 51.898 52.037 -0.051 0.000 0.757 381 A CB -0.598 18.377 19.000 -0.043 0.000 0.996 381 A HN 1.065 nan 8.150 nan 0.000 0.504 382 C N 1.117 120.377 119.300 -0.066 0.000 3.183 382 C HA 0.565 5.024 4.460 -0.001 0.000 0.285 382 C C 0.157 175.111 174.990 -0.060 0.000 1.313 382 C CA -0.385 58.597 59.018 -0.060 0.000 1.711 382 C CB -1.534 26.167 27.740 -0.065 0.000 2.135 382 C HN 0.475 nan 8.230 nan 0.000 0.651 383 V N 2.324 122.198 119.914 -0.067 0.000 2.531 383 V HA 0.504 4.624 4.120 -0.001 0.000 0.301 383 V C -0.644 175.414 176.094 -0.060 0.000 1.034 383 V CA -0.200 62.060 62.300 -0.066 0.000 0.865 383 V CB 1.752 33.531 31.823 -0.074 0.000 0.995 383 V HN 0.361 nan 8.190 nan 0.000 0.424 384 K N 2.218 122.583 120.400 -0.058 0.000 2.400 384 K HA 0.648 4.967 4.320 -0.001 0.000 0.246 384 K C 0.275 176.835 176.600 -0.066 0.000 0.995 384 K CA -0.785 55.471 56.287 -0.052 0.000 0.840 384 K CB 2.360 34.837 32.500 -0.038 0.000 1.293 384 K HN 0.817 nan 8.250 nan 0.000 0.445 385 G N 0.288 109.056 108.800 -0.054 0.000 2.559 385 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.235 385 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.235 385 G C 0.804 175.632 174.900 -0.121 0.000 1.266 385 G CA -0.124 44.937 45.100 -0.065 0.000 0.847 385 G HN 0.543 nan 8.290 nan 0.000 0.583 386 T N 1.326 115.750 114.554 -0.218 0.000 2.714 386 T HA -0.207 4.143 4.350 -0.001 0.000 0.268 386 T C 1.335 175.659 174.700 -0.628 0.000 1.036 386 T CA 1.785 63.598 62.100 -0.478 0.000 1.148 386 T CB -0.257 68.208 68.868 -0.672 0.000 0.856 386 T HN 0.450 nan 8.240 nan 0.000 0.462 387 F N 0.529 120.474 119.950 -0.008 0.000 2.668 387 F HA 0.316 4.842 4.527 -0.001 0.000 0.301 387 F C 0.766 176.565 175.800 -0.002 0.000 1.106 387 F CA -0.664 57.333 58.000 -0.004 0.000 1.289 387 F CB 0.282 39.281 39.000 -0.002 0.000 1.006 387 F HN -0.022 nan 8.300 nan 0.000 0.535 388 E N 1.925 122.177 120.200 0.087 0.000 2.417 388 E HA 0.096 4.445 4.350 -0.001 0.000 0.261 388 E C 0.413 177.046 176.600 0.056 0.000 1.000 388 E CA 0.193 56.631 56.400 0.063 0.000 0.919 388 E CB 0.835 30.547 29.700 0.021 0.000 0.955 388 E HN 0.203 nan 8.360 nan 0.000 0.455 389 T N 0.000 114.589 114.554 0.059 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 389 T CA 0.000 62.128 62.100 0.046 0.000 1.349 389 T CB 0.000 68.898 68.868 0.050 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658