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 1pmm_1_C DATA FIRST_RESID 4 DATA SEQUENCE KQVTDLRSEL LDSRFGAKSI STIAESKRFP LHEMRDDVAF QIINDELYLD DATA SEQUENCE GNARQNLATF CQTWDDENVH KLMDLSINKN WIDKEEYPQS AAIDLRCVNM DATA SEQUENCE VADLWHAPAP KNGQAVGTNT IGSSEACMLG GMAMKWRWRK RMEAAGKPTD DATA SEQUENCE KPNLVCGPVQ ICWHKFARYW DVELREIPMR PGQLFMDPKR MIEACDENTI DATA SEQUENCE GVVPTFGVTY TGNYEFPQPL HDALDKFQAD TGIDIDMHID AASGGFLAPF DATA SEQUENCE VAPDIVWDFR LPRVKSISAS GHKFGLAPLG CGWVIWRDEE ALPQELVFNV DATA SEQUENCE DYLGGQIGTF AINFSRPAGQ VIAQYYEFLR LGREGYTKVQ NASYQVAAYL DATA SEQUENCE ADEIAKLGPY EFICTGRPDE GIPAVCFKLK DGEDPGYTLY DLSERLRLRG DATA SEQUENCE WQVPAFTLGG EATDIVVMRI MCRRGFEMDF AELLLEDYKA SLKYLSDHP 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.594 176.600 -0.010 0.000 0.988 4 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 4 K CB 0.000 32.497 32.500 -0.006 0.000 1.064 5 Q N 1.821 121.614 119.800 -0.012 0.000 2.224 5 Q HA -0.077 4.249 4.340 -0.023 0.000 0.203 5 Q C 0.948 176.938 176.000 -0.017 0.000 0.970 5 Q CA 1.641 57.433 55.803 -0.017 0.000 0.865 5 Q CB -0.161 28.565 28.738 -0.019 0.000 0.922 5 Q HN 0.346 nan 8.270 nan 0.000 0.445 6 V N 1.243 121.150 119.914 -0.013 0.000 2.453 6 V HA -0.186 3.921 4.120 -0.023 0.000 0.247 6 V C 2.114 178.201 176.094 -0.011 0.000 1.048 6 V CA 2.036 64.329 62.300 -0.012 0.000 1.049 6 V CB -0.709 31.109 31.823 -0.009 0.000 0.672 6 V HN 0.439 nan 8.190 nan 0.000 0.457 7 T N -0.320 114.229 114.554 -0.010 0.000 2.777 7 T HA -0.150 4.186 4.350 -0.023 0.000 0.266 7 T C 1.655 176.349 174.700 -0.010 0.000 1.040 7 T CA 1.529 63.624 62.100 -0.008 0.000 1.141 7 T CB -0.307 68.557 68.868 -0.006 0.000 0.868 7 T HN 0.479 nan 8.240 nan 0.000 0.444 8 D N 0.877 121.269 120.400 -0.013 0.000 2.178 8 D HA -0.005 4.621 4.640 -0.023 0.000 0.202 8 D C 2.017 178.305 176.300 -0.020 0.000 0.974 8 D CA 0.508 54.499 54.000 -0.016 0.000 0.841 8 D CB -0.225 40.563 40.800 -0.020 0.000 0.953 8 D HN 0.182 nan 8.370 nan 0.000 0.478 9 L N 1.222 122.432 121.223 -0.021 0.000 2.093 9 L HA -0.086 4.240 4.340 -0.023 0.000 0.208 9 L C 2.371 179.230 176.870 -0.017 0.000 1.085 9 L CA 1.384 56.211 54.840 -0.022 0.000 0.755 9 L CB -0.382 41.663 42.059 -0.022 0.000 0.904 9 L HN -0.139 nan 8.230 nan 0.000 0.435 10 R N -1.290 119.202 120.500 -0.014 0.000 2.081 10 R HA -0.147 4.179 4.340 -0.023 0.000 0.235 10 R C 2.185 178.479 176.300 -0.011 0.000 1.131 10 R CA 1.745 57.838 56.100 -0.011 0.000 0.960 10 R CB -0.214 30.081 30.300 -0.008 0.000 0.856 10 R HN 0.360 nan 8.270 nan 0.000 0.436 11 S N 0.736 116.429 115.700 -0.011 0.000 2.368 11 S HA -0.120 4.336 4.470 -0.023 0.000 0.225 11 S C 1.568 176.161 174.600 -0.013 0.000 1.030 11 S CA 1.349 59.543 58.200 -0.009 0.000 0.999 11 S CB -0.144 63.051 63.200 -0.008 0.000 0.844 11 S HN 0.450 nan 8.310 nan 0.000 0.459 12 E N 0.444 120.634 120.200 -0.017 0.000 2.118 12 E HA -0.176 4.161 4.350 -0.023 0.000 0.195 12 E C 2.038 178.626 176.600 -0.021 0.000 0.992 12 E CA 1.018 57.405 56.400 -0.021 0.000 0.804 12 E CB -0.194 29.491 29.700 -0.026 0.000 0.741 12 E HN 0.313 nan 8.360 nan 0.000 0.458 13 L N 0.235 121.448 121.223 -0.017 0.000 2.068 13 L HA -0.064 4.262 4.340 -0.023 0.000 0.204 13 L C 1.923 178.784 176.870 -0.015 0.000 1.076 13 L CA 1.479 56.309 54.840 -0.016 0.000 0.753 13 L CB -0.022 42.029 42.059 -0.014 0.000 0.910 13 L HN 0.040 nan 8.230 nan 0.000 0.439 14 L N -1.017 120.199 121.223 -0.012 0.000 2.416 14 L HA 0.109 4.435 4.340 -0.023 0.000 0.216 14 L C 0.194 177.060 176.870 -0.007 0.000 1.098 14 L CA -0.367 54.468 54.840 -0.008 0.000 0.840 14 L CB -0.521 41.535 42.059 -0.005 0.000 0.981 14 L HN 0.139 nan 8.230 nan 0.000 0.462 15 D N 1.388 121.783 120.400 -0.008 0.000 2.478 15 D HA 0.029 4.656 4.640 -0.023 0.000 0.234 15 D C 0.578 176.873 176.300 -0.010 0.000 1.154 15 D CA 0.282 54.279 54.000 -0.005 0.000 0.874 15 D CB 0.784 41.580 40.800 -0.007 0.000 1.198 15 D HN 0.105 nan 8.370 nan 0.000 0.455 16 S N 1.602 117.304 115.700 0.004 0.000 2.614 16 S HA 0.168 4.625 4.470 -0.023 0.000 0.265 16 S C 1.247 175.823 174.600 -0.041 0.000 1.303 16 S CA -0.722 57.480 58.200 0.003 0.000 1.000 16 S CB 1.483 64.712 63.200 0.048 0.000 0.935 16 S HN 0.398 nan 8.310 nan 0.000 0.551 17 R N 0.501 120.936 120.500 -0.108 0.000 2.133 17 R HA -0.136 4.190 4.340 -0.023 0.000 0.245 17 R C 1.301 177.323 176.300 -0.464 0.000 1.137 17 R CA 2.203 58.102 56.100 -0.335 0.000 0.947 17 R CB -1.043 28.951 30.300 -0.510 0.000 0.865 17 R HN 0.791 nan 8.270 nan 0.000 0.437 18 F N -1.978 117.983 119.950 0.018 0.000 2.727 18 F HA 0.331 4.844 4.527 -0.025 0.000 0.302 18 F C 1.923 177.729 175.800 0.009 0.000 1.097 18 F CA 0.554 58.563 58.000 0.014 0.000 1.330 18 F CB 0.318 39.326 39.000 0.014 0.000 1.084 18 F HN 0.178 nan 8.300 nan 0.000 0.578 19 G N -0.175 108.694 108.800 0.114 0.000 3.088 19 G HA2 0.349 4.295 3.960 -0.023 0.000 0.217 19 G HA3 0.349 4.295 3.960 -0.023 0.000 0.217 19 G C 0.663 175.583 174.900 0.034 0.000 1.159 19 G CA 0.281 45.426 45.100 0.075 0.000 0.760 19 G HN 0.290 nan 8.290 nan 0.000 0.550 20 A N 0.451 123.276 122.820 0.007 0.000 2.462 20 A HA 0.402 4.708 4.320 -0.023 0.000 0.243 20 A C 1.481 179.065 177.584 -0.001 0.000 1.076 20 A CA 0.057 52.088 52.037 -0.010 0.000 0.773 20 A CB 0.618 19.594 19.000 -0.039 0.000 1.010 20 A HN 0.251 nan 8.150 nan 0.000 0.493 21 K N 1.259 121.657 120.400 -0.003 0.000 2.097 21 K HA -0.154 4.153 4.320 -0.023 0.000 0.206 21 K C 1.915 178.515 176.600 -0.001 0.000 1.049 21 K CA 1.892 58.179 56.287 0.001 0.000 0.933 21 K CB -0.158 32.340 32.500 -0.004 0.000 0.717 21 K HN 0.869 nan 8.250 nan 0.000 0.442 22 S N 0.367 116.062 115.700 -0.010 0.000 2.469 22 S HA -0.122 4.334 4.470 -0.023 0.000 0.238 22 S C 1.610 176.204 174.600 -0.010 0.000 0.998 22 S CA 0.773 58.967 58.200 -0.010 0.000 0.957 22 S CB -0.196 62.994 63.200 -0.018 0.000 0.764 22 S HN 0.441 nan 8.310 nan 0.000 0.514 23 I N 2.021 122.586 120.570 -0.008 0.000 3.914 23 I HA 0.155 4.311 4.170 -0.023 0.000 0.333 23 I C 1.393 177.530 176.117 0.034 0.000 1.449 23 I CA 0.128 61.431 61.300 0.004 0.000 1.135 23 I CB 0.170 38.160 38.000 -0.018 0.000 1.073 23 I HN 0.428 nan 8.210 nan 0.000 0.401 24 S N -1.157 114.558 115.700 0.025 0.000 2.575 24 S HA 0.097 4.554 4.470 -0.023 0.000 0.215 24 S C 0.845 175.458 174.600 0.023 0.000 0.966 24 S CA 0.151 58.369 58.200 0.030 0.000 0.911 24 S CB -0.486 62.728 63.200 0.023 0.000 0.780 24 S HN 0.466 nan 8.310 nan 0.000 0.514 25 T N -0.673 113.891 114.554 0.017 0.000 2.930 25 T HA 0.705 5.042 4.350 -0.023 0.000 0.290 25 T C -0.196 174.509 174.700 0.008 0.000 1.052 25 T CA -1.077 61.030 62.100 0.012 0.000 1.017 25 T CB 0.858 69.732 68.868 0.009 0.000 1.137 25 T HN 0.182 nan 8.240 nan 0.000 0.511 26 I N 1.787 122.360 120.570 0.004 0.000 2.634 26 I HA 0.416 4.572 4.170 -0.023 0.000 0.284 26 I C 1.270 177.381 176.117 -0.010 0.000 1.124 26 I CA -0.738 60.562 61.300 -0.001 0.000 1.417 26 I CB 0.666 38.665 38.000 -0.002 0.000 1.396 26 I HN 0.935 nan 8.210 nan 0.000 0.571 27 A N 4.991 127.801 122.820 -0.017 0.000 2.498 27 A HA 0.065 4.371 4.320 -0.023 0.000 0.239 27 A C 0.246 177.809 177.584 -0.035 0.000 1.068 27 A CA -0.215 51.804 52.037 -0.030 0.000 0.766 27 A CB 0.112 19.088 19.000 -0.041 0.000 1.003 27 A HN 0.737 nan 8.150 nan 0.000 0.497 28 E N 1.003 121.177 120.200 -0.044 0.000 2.442 28 E HA 0.184 4.520 4.350 -0.023 0.000 0.262 28 E C 0.845 177.414 176.600 -0.052 0.000 1.004 28 E CA 1.168 57.540 56.400 -0.047 0.000 0.928 28 E CB 0.363 30.023 29.700 -0.066 0.000 0.937 28 E HN 0.704 nan 8.360 nan 0.000 0.446 29 S N 2.288 117.965 115.700 -0.039 0.000 2.820 29 S HA 0.243 4.699 4.470 -0.023 0.000 0.265 29 S C 0.617 175.203 174.600 -0.024 0.000 1.043 29 S CA -0.415 57.764 58.200 -0.035 0.000 1.245 29 S CB 0.213 63.397 63.200 -0.027 0.000 1.187 29 S HN 0.442 nan 8.310 nan 0.000 0.673 30 K N 0.622 121.012 120.400 -0.017 0.000 2.403 30 K HA 0.381 4.687 4.320 -0.023 0.000 0.199 30 K C 0.396 177.002 176.600 0.011 0.000 1.199 30 K CA 0.058 56.343 56.287 -0.003 0.000 0.924 30 K CB 0.594 33.093 32.500 -0.001 0.000 1.137 30 K HN 0.146 nan 8.250 nan 0.000 0.510 31 R N 0.239 120.746 120.500 0.012 0.000 2.854 31 R HA 0.293 4.619 4.340 -0.023 0.000 0.271 31 R C -1.077 175.258 176.300 0.058 0.000 0.994 31 R CA -0.906 55.223 56.100 0.048 0.000 0.945 31 R CB 1.185 31.512 30.300 0.045 0.000 1.194 31 R HN -0.129 nan 8.270 nan 0.000 0.476 32 F N 2.803 122.741 119.950 -0.021 0.000 2.543 32 F HA 0.156 4.670 4.527 -0.023 0.000 0.375 32 F C -1.610 174.173 175.800 -0.028 0.000 1.075 32 F CA -1.277 56.709 58.000 -0.023 0.000 1.225 32 F CB 0.426 39.411 39.000 -0.024 0.000 1.099 32 F HN 0.265 nan 8.300 nan 0.000 0.561 33 P HA -0.065 nan 4.420 nan 0.000 0.265 33 P C 0.274 177.619 177.300 0.076 0.000 1.187 33 P CA 0.006 63.059 63.100 -0.079 0.000 0.766 33 P CB 0.693 32.281 31.700 -0.187 0.000 0.820 34 L N 2.965 124.193 121.223 0.008 0.000 2.130 34 L HA 0.082 4.408 4.340 -0.023 0.000 0.200 34 L C 0.897 177.665 176.870 -0.170 0.000 1.075 34 L CA 1.605 56.386 54.840 -0.098 0.000 0.768 34 L CB -0.399 41.519 42.059 -0.235 0.000 0.933 34 L HN 0.386 nan 8.230 nan 0.000 0.451 35 H N 0.018 119.114 119.070 0.043 0.000 2.615 35 H HA 0.388 4.930 4.556 -0.023 0.000 0.346 35 H C -0.465 174.878 175.328 0.024 0.000 1.200 35 H CA -0.772 55.295 56.048 0.032 0.000 1.264 35 H CB 0.786 30.559 29.762 0.018 0.000 1.699 35 H HN 0.235 nan 8.280 nan 0.000 0.567 36 E N 1.166 121.477 120.200 0.185 0.000 2.349 36 E HA 0.345 4.681 4.350 -0.023 0.000 0.262 36 E C 0.156 176.795 176.600 0.065 0.000 1.088 36 E CA -0.373 56.082 56.400 0.093 0.000 0.899 36 E CB 1.283 31.025 29.700 0.069 0.000 1.044 36 E HN 0.428 nan 8.360 nan 0.000 0.420 37 M N -1.067 118.553 119.600 0.033 0.000 2.683 37 M HA 0.509 4.975 4.480 -0.023 0.000 0.274 37 M C -0.880 175.421 176.300 0.002 0.000 1.272 37 M CA -1.051 54.257 55.300 0.012 0.000 0.833 37 M CB 1.658 34.263 32.600 0.009 0.000 1.708 37 M HN 0.099 nan 8.290 nan 0.000 0.463 38 R N 2.252 122.746 120.500 -0.009 0.000 2.537 38 R HA -0.030 4.297 4.340 -0.023 0.000 0.281 38 R C 0.798 177.094 176.300 -0.007 0.000 0.988 38 R CA 0.675 56.767 56.100 -0.014 0.000 1.077 38 R CB 0.229 30.512 30.300 -0.027 0.000 0.932 38 R HN 0.829 nan 8.270 nan 0.000 0.409 39 D N 3.298 123.696 120.400 -0.003 0.000 2.178 39 D HA -0.217 4.409 4.640 -0.023 0.000 0.201 39 D C 0.782 177.101 176.300 0.033 0.000 0.980 39 D CA 1.482 55.488 54.000 0.011 0.000 0.842 39 D CB -0.047 40.751 40.800 -0.004 0.000 0.948 39 D HN 0.649 nan 8.370 nan 0.000 0.472 40 D N 1.410 121.814 120.400 0.006 0.000 2.183 40 D HA -0.134 4.492 4.640 -0.023 0.000 0.203 40 D C 2.259 178.576 176.300 0.028 0.000 0.969 40 D CA 0.511 54.525 54.000 0.023 0.000 0.842 40 D CB -0.591 40.192 40.800 -0.028 0.000 0.957 40 D HN 0.257 nan 8.370 nan 0.000 0.484 41 V N 1.452 121.350 119.914 -0.026 0.000 2.379 41 V HA -0.120 3.986 4.120 -0.023 0.000 0.245 41 V C 2.919 178.995 176.094 -0.030 0.000 1.044 41 V CA 1.592 63.853 62.300 -0.065 0.000 1.036 41 V CB -0.842 30.939 31.823 -0.071 0.000 0.664 41 V HN 0.359 nan 8.190 nan 0.000 0.453 42 A N -0.175 122.647 122.820 0.002 0.000 1.877 42 A HA -0.256 4.050 4.320 -0.023 0.000 0.216 42 A C 2.126 179.718 177.584 0.012 0.000 1.186 42 A CA 2.145 54.183 52.037 0.001 0.000 0.620 42 A CB -0.729 18.278 19.000 0.012 0.000 0.822 42 A HN 0.544 nan 8.150 nan 0.000 0.443 43 F N 0.454 120.367 119.950 -0.062 0.000 2.113 43 F HA -0.170 4.349 4.527 -0.014 0.000 0.297 43 F C 2.390 178.154 175.800 -0.060 0.000 1.103 43 F CA 2.258 60.222 58.000 -0.059 0.000 1.248 43 F CB -0.406 38.562 39.000 -0.054 0.000 0.999 43 F HN 0.296 nan 8.300 nan 0.000 0.475 44 Q N 1.043 120.807 119.800 -0.059 0.000 2.061 44 Q HA -0.192 4.134 4.340 -0.023 0.000 0.204 44 Q C 2.114 178.012 176.000 -0.170 0.000 0.984 44 Q CA 2.528 58.254 55.803 -0.129 0.000 0.846 44 Q CB -0.647 28.038 28.738 -0.090 0.000 0.902 44 Q HN 0.646 nan 8.270 nan 0.000 0.421 45 I N -0.306 120.190 120.570 -0.123 0.000 2.163 45 I HA -0.303 3.853 4.170 -0.023 0.000 0.243 45 I C 2.109 178.137 176.117 -0.149 0.000 1.085 45 I CA 1.274 62.522 61.300 -0.086 0.000 1.347 45 I CB -0.324 37.639 38.000 -0.063 0.000 1.044 45 I HN 0.255 nan 8.210 nan 0.000 0.408 46 I N 0.579 121.015 120.570 -0.223 0.000 2.252 46 I HA -0.300 3.856 4.170 -0.023 0.000 0.245 46 I C 2.334 178.232 176.117 -0.365 0.000 1.102 46 I CA 1.678 62.825 61.300 -0.256 0.000 1.385 46 I CB -0.593 37.263 38.000 -0.240 0.000 1.064 46 I HN 0.327 nan 8.210 nan 0.000 0.414 47 N N 1.209 119.563 118.700 -0.577 0.000 2.061 47 N HA -0.244 4.482 4.740 -0.023 0.000 0.193 47 N C 1.456 176.619 175.510 -0.577 0.000 1.030 47 N CA 1.985 54.646 53.050 -0.649 0.000 0.856 47 N CB -0.021 37.976 38.487 -0.816 0.000 1.023 47 N HN 0.206 nan 8.380 nan 0.000 0.424 48 D N 0.163 120.369 120.400 -0.324 0.000 2.117 48 D HA -0.110 4.517 4.640 -0.023 0.000 0.198 48 D C 1.637 177.886 176.300 -0.085 0.000 0.982 48 D CA 0.824 54.761 54.000 -0.106 0.000 0.828 48 D CB -0.369 40.500 40.800 0.115 0.000 0.967 48 D HN 0.505 nan 8.370 nan 0.000 0.464 49 E N 0.365 120.494 120.200 -0.118 0.000 2.118 49 E HA -0.114 4.223 4.350 -0.023 0.000 0.195 49 E C 2.165 178.703 176.600 -0.103 0.000 0.992 49 E CA 0.405 56.758 56.400 -0.077 0.000 0.804 49 E CB -0.121 29.526 29.700 -0.087 0.000 0.741 49 E HN 0.301 nan 8.360 nan 0.000 0.458 50 L N 0.247 121.340 121.223 -0.217 0.000 2.450 50 L HA -0.163 4.163 4.340 -0.023 0.000 0.224 50 L C 1.720 178.496 176.870 -0.157 0.000 1.149 50 L CA 0.505 55.219 54.840 -0.209 0.000 0.816 50 L CB -0.320 41.574 42.059 -0.275 0.000 0.932 50 L HN 0.168 nan 8.230 nan 0.000 0.449 51 Y N -0.965 119.309 120.300 -0.044 0.000 2.497 51 Y HA -0.128 4.407 4.550 -0.026 0.000 0.292 51 Y C 2.072 177.952 175.900 -0.033 0.000 1.137 51 Y CA 0.371 58.450 58.100 -0.035 0.000 1.285 51 Y CB -0.097 38.343 38.460 -0.033 0.000 0.991 51 Y HN 0.102 nan 8.280 nan 0.000 0.556 52 L N -0.153 121.126 121.223 0.093 0.000 2.552 52 L HA -0.020 4.307 4.340 -0.023 0.000 0.227 52 L C 0.083 176.967 176.870 0.023 0.000 1.146 52 L CA 0.886 55.754 54.840 0.047 0.000 0.858 52 L CB -0.916 41.156 42.059 0.022 0.000 0.969 52 L HN 0.095 nan 8.230 nan 0.000 0.451 53 D N -0.197 120.213 120.400 0.016 0.000 2.329 53 D HA 0.299 4.925 4.640 -0.023 0.000 0.246 53 D C 0.653 176.964 176.300 0.020 0.000 1.111 53 D CA 0.042 54.045 54.000 0.004 0.000 0.941 53 D CB 1.359 42.152 40.800 -0.012 0.000 1.169 53 D HN 0.054 nan 8.370 nan 0.000 0.441 54 G N 0.750 109.558 108.800 0.013 0.000 2.483 54 G HA2 0.009 3.956 3.960 -0.023 0.000 0.248 54 G HA3 0.009 3.956 3.960 -0.023 0.000 0.248 54 G C 0.411 175.324 174.900 0.023 0.000 1.248 54 G CA -0.471 44.638 45.100 0.015 0.000 0.838 54 G HN 0.414 nan 8.290 nan 0.000 0.566 55 N N 1.512 120.223 118.700 0.019 0.000 2.434 55 N HA 0.072 4.798 4.740 -0.023 0.000 0.268 55 N C 1.507 177.048 175.510 0.052 0.000 1.256 55 N CA 0.315 53.386 53.050 0.036 0.000 0.914 55 N CB 1.208 39.702 38.487 0.011 0.000 1.088 55 N HN 0.442 nan 8.380 nan 0.000 0.478 56 A N 6.106 128.965 122.820 0.066 0.000 1.917 56 A HA -0.180 4.126 4.320 -0.023 0.000 0.219 56 A C 2.037 179.688 177.584 0.111 0.000 1.182 56 A CA 1.079 53.159 52.037 0.072 0.000 0.633 56 A CB -0.149 18.894 19.000 0.072 0.000 0.819 56 A HN 0.725 nan 8.150 nan 0.000 0.448 57 R N -0.325 120.280 120.500 0.175 0.000 2.189 57 R HA -0.063 4.263 4.340 -0.023 0.000 0.223 57 R C 1.539 178.001 176.300 0.271 0.000 1.092 57 R CA 1.239 57.518 56.100 0.298 0.000 0.989 57 R CB -0.458 30.089 30.300 0.411 0.000 0.876 57 R HN 0.739 nan 8.270 nan 0.000 0.457 58 Q N 0.195 120.084 119.800 0.149 0.000 2.319 58 Q HA 0.052 4.378 4.340 -0.023 0.000 0.202 58 Q C -0.069 176.000 176.000 0.115 0.000 0.896 58 Q CA -0.275 55.578 55.803 0.082 0.000 0.942 58 Q CB 0.280 28.914 28.738 -0.174 0.000 1.083 58 Q HN 0.061 nan 8.270 nan 0.000 0.510 59 N N 1.304 120.035 118.700 0.052 0.000 2.415 59 N HA 0.048 4.774 4.740 -0.023 0.000 0.250 59 N C -0.063 175.422 175.510 -0.041 0.000 1.127 59 N CA 0.141 53.206 53.050 0.025 0.000 0.945 59 N CB 0.431 38.930 38.487 0.020 0.000 1.196 59 N HN 0.193 nan 8.380 nan 0.000 0.499 60 L N 2.083 123.267 121.223 -0.064 0.000 2.653 60 L HA 0.280 4.606 4.340 -0.023 0.000 0.231 60 L C 1.597 178.408 176.870 -0.099 0.000 1.153 60 L CA -0.087 54.642 54.840 -0.184 0.000 0.933 60 L CB -0.011 41.877 42.059 -0.285 0.000 1.175 60 L HN 0.485 nan 8.230 nan 0.000 0.473 61 A N -0.817 121.993 122.820 -0.017 0.000 2.014 61 A HA 0.045 4.352 4.320 -0.023 0.000 0.210 61 A C 1.349 179.003 177.584 0.116 0.000 1.188 61 A CA 0.462 52.529 52.037 0.050 0.000 0.731 61 A CB 0.028 19.064 19.000 0.060 0.000 0.858 61 A HN 0.251 nan 8.150 nan 0.000 0.464 62 T N -1.622 112.978 114.554 0.076 0.000 2.899 62 T HA 0.376 4.712 4.350 -0.023 0.000 0.295 62 T C 0.200 175.010 174.700 0.185 0.000 1.033 62 T CA -0.126 62.059 62.100 0.143 0.000 1.084 62 T CB 0.083 68.975 68.868 0.039 0.000 0.979 62 T HN 0.168 nan 8.240 nan 0.000 0.532 63 F N 1.246 121.133 119.950 -0.106 0.000 2.731 63 F HA 0.325 4.838 4.527 -0.024 0.000 0.298 63 F C 1.477 177.140 175.800 -0.229 0.000 1.106 63 F CA -0.845 57.065 58.000 -0.150 0.000 1.329 63 F CB -0.290 38.675 39.000 -0.058 0.000 1.100 63 F HN 0.450 nan 8.300 nan 0.000 0.592 64 C N 1.268 120.584 119.300 0.026 0.000 2.534 64 C HA 0.292 4.738 4.460 -0.023 0.000 0.385 64 C C 0.700 175.648 174.990 -0.069 0.000 1.264 64 C CA -1.177 57.808 59.018 -0.056 0.000 2.342 64 C CB 0.273 27.923 27.740 -0.150 0.000 2.564 64 C HN 0.179 nan 8.230 nan 0.000 0.603 65 Q N 1.407 121.180 119.800 -0.044 0.000 2.315 65 Q HA 0.090 4.416 4.340 -0.023 0.000 0.289 65 Q C 1.026 177.042 176.000 0.026 0.000 1.044 65 Q CA 0.783 56.588 55.803 0.003 0.000 0.920 65 Q CB 0.484 29.241 28.738 0.031 0.000 1.214 65 Q HN 0.988 nan 8.270 nan 0.000 0.392 66 T N -1.544 113.068 114.554 0.097 0.000 3.145 66 T HA 0.365 4.702 4.350 -0.023 0.000 0.281 66 T C -0.288 174.568 174.700 0.260 0.000 1.003 66 T CA -0.555 61.624 62.100 0.131 0.000 0.901 66 T CB 0.079 69.020 68.868 0.121 0.000 1.112 66 T HN 0.531 nan 8.240 nan 0.000 0.535 67 W N 1.522 122.854 121.300 0.053 0.000 3.479 67 W HA 0.541 5.190 4.660 -0.019 0.000 0.304 67 W C -2.418 174.148 176.519 0.079 0.000 1.243 67 W CA -0.609 56.789 57.345 0.089 0.000 1.202 67 W CB 1.470 30.989 29.460 0.097 0.000 1.346 67 W HN 0.072 nan 8.180 nan 0.000 0.539 68 D N 3.070 123.044 120.400 -0.709 0.000 2.819 68 D HA 0.216 4.843 4.640 -0.023 0.000 0.232 68 D C -0.600 174.979 176.300 -1.202 0.000 1.160 68 D CA -0.539 53.068 54.000 -0.655 0.000 0.858 68 D CB 1.778 42.295 40.800 -0.471 0.000 1.610 68 D HN 0.322 nan 8.370 nan 0.000 0.481 69 D N 0.164 120.083 120.400 -0.801 0.000 2.371 69 D HA -0.023 4.603 4.640 -0.023 0.000 0.242 69 D C 0.885 177.075 176.300 -0.183 0.000 1.218 69 D CA -0.297 53.395 54.000 -0.513 0.000 0.945 69 D CB 0.878 41.714 40.800 0.060 0.000 1.137 69 D HN 0.523 nan 8.370 nan 0.000 0.464 70 E N -0.202 119.935 120.200 -0.105 0.000 2.118 70 E HA -0.252 4.084 4.350 -0.023 0.000 0.195 70 E C 1.271 177.824 176.600 -0.078 0.000 0.992 70 E CA 1.030 57.381 56.400 -0.082 0.000 0.804 70 E CB 0.044 29.706 29.700 -0.064 0.000 0.741 70 E HN 0.379 nan 8.360 nan 0.000 0.458 71 N N -0.030 118.587 118.700 -0.138 0.000 2.244 71 N HA -0.121 4.606 4.740 -0.023 0.000 0.183 71 N C 1.803 177.078 175.510 -0.391 0.000 1.016 71 N CA 0.874 53.738 53.050 -0.311 0.000 0.866 71 N CB -0.070 38.088 38.487 -0.549 0.000 0.980 71 N HN 0.080 nan 8.380 nan 0.000 0.430 72 V N 0.762 120.484 119.914 -0.321 0.000 2.453 72 V HA -0.188 3.918 4.120 -0.023 0.000 0.247 72 V C 1.773 177.734 176.094 -0.221 0.000 1.048 72 V CA 1.504 63.646 62.300 -0.264 0.000 1.049 72 V CB -0.589 31.122 31.823 -0.186 0.000 0.672 72 V HN 0.277 nan 8.190 nan 0.000 0.457 73 H N 0.349 119.291 119.070 -0.213 0.000 2.353 73 H HA -0.116 4.429 4.556 -0.018 0.000 0.300 73 H C 2.337 177.585 175.328 -0.134 0.000 1.090 73 H CA 1.755 57.703 56.048 -0.167 0.000 1.327 73 H CB -0.050 29.610 29.762 -0.170 0.000 1.383 73 H HN 0.368 nan 8.280 nan 0.000 0.508 74 K N 0.096 120.479 120.400 -0.027 0.000 2.025 74 K HA -0.074 4.232 4.320 -0.023 0.000 0.207 74 K C 2.143 178.698 176.600 -0.074 0.000 1.049 74 K CA 1.068 57.323 56.287 -0.054 0.000 0.933 74 K CB -0.124 32.332 32.500 -0.073 0.000 0.714 74 K HN 0.191 nan 8.250 nan 0.000 0.438 75 L N 0.562 121.714 121.223 -0.119 0.000 2.046 75 L HA -0.192 4.134 4.340 -0.023 0.000 0.208 75 L C 2.591 179.418 176.870 -0.071 0.000 1.077 75 L CA 0.846 55.628 54.840 -0.096 0.000 0.747 75 L CB -0.338 41.643 42.059 -0.130 0.000 0.896 75 L HN 0.261 nan 8.230 nan 0.000 0.432 76 M N -0.638 118.905 119.600 -0.095 0.000 2.117 76 M HA -0.233 4.233 4.480 -0.023 0.000 0.262 76 M C 1.921 178.184 176.300 -0.061 0.000 1.065 76 M CA 1.722 56.968 55.300 -0.089 0.000 1.114 76 M CB -1.102 31.415 32.600 -0.138 0.000 1.361 76 M HN 0.215 nan 8.290 nan 0.000 0.408 77 D N 0.253 120.623 120.400 -0.050 0.000 2.144 77 D HA -0.097 4.529 4.640 -0.023 0.000 0.200 77 D C 2.106 178.392 176.300 -0.023 0.000 0.978 77 D CA 0.929 54.910 54.000 -0.031 0.000 0.833 77 D CB 0.050 40.838 40.800 -0.020 0.000 0.961 77 D HN 0.283 nan 8.370 nan 0.000 0.470 78 L N -0.348 120.861 121.223 -0.023 0.000 2.201 78 L HA -0.037 4.289 4.340 -0.023 0.000 0.212 78 L C 1.741 178.610 176.870 -0.001 0.000 1.105 78 L CA 0.826 55.661 54.840 -0.008 0.000 0.775 78 L CB -0.015 42.040 42.059 -0.007 0.000 0.913 78 L HN -0.012 nan 8.230 nan 0.000 0.440 79 S N -0.784 114.908 115.700 -0.015 0.000 2.557 79 S HA 0.126 4.582 4.470 -0.023 0.000 0.223 79 S C 1.663 176.239 174.600 -0.040 0.000 0.969 79 S CA -0.258 57.930 58.200 -0.020 0.000 0.927 79 S CB 0.181 63.370 63.200 -0.019 0.000 0.806 79 S HN 0.288 nan 8.310 nan 0.000 0.489 80 I N 2.213 122.763 120.570 -0.033 0.000 2.381 80 I HA -0.241 3.915 4.170 -0.023 0.000 0.255 80 I C 0.654 176.746 176.117 -0.041 0.000 1.140 80 I CA 1.235 62.513 61.300 -0.037 0.000 1.404 80 I CB 0.102 38.087 38.000 -0.025 0.000 1.075 80 I HN 0.227 nan 8.210 nan 0.000 0.433 81 N N 0.787 119.465 118.700 -0.036 0.000 2.204 81 N HA 0.130 4.856 4.740 -0.023 0.000 0.219 81 N C -0.481 174.955 175.510 -0.124 0.000 1.151 81 N CA 0.055 53.082 53.050 -0.038 0.000 0.867 81 N CB 0.445 38.943 38.487 0.019 0.000 1.043 81 N HN 0.301 nan 8.380 nan 0.000 0.516 82 K N 1.447 121.720 120.400 -0.211 0.000 2.276 82 K HA 0.169 4.476 4.320 -0.023 0.000 0.285 82 K C -0.198 176.028 176.600 -0.624 0.000 1.062 82 K CA -0.442 55.507 56.287 -0.563 0.000 0.918 82 K CB 0.787 33.123 32.500 -0.273 0.000 1.055 82 K HN -0.125 nan 8.250 nan 0.000 0.477 83 N N 2.808 120.887 118.700 -1.035 0.000 2.406 83 N HA -0.017 4.709 4.740 -0.023 0.000 0.251 83 N C 0.318 175.654 175.510 -0.291 0.000 1.069 83 N CA -0.314 52.461 53.050 -0.459 0.000 0.947 83 N CB 0.404 38.737 38.487 -0.257 0.000 1.111 83 N HN 0.663 nan 8.380 nan 0.000 0.497 84 W N 4.919 126.046 121.300 -0.289 0.000 2.325 84 W HA -0.184 4.461 4.660 -0.025 0.000 0.299 84 W C 1.590 177.982 176.519 -0.210 0.000 1.215 84 W CA 0.834 58.051 57.345 -0.214 0.000 1.244 84 W CB -0.058 29.288 29.460 -0.190 0.000 1.140 84 W HN 0.639 nan 8.180 nan 0.000 0.523 85 I N 0.599 121.113 120.570 -0.094 0.000 2.617 85 I HA -0.140 4.017 4.170 -0.023 0.000 0.256 85 I C 0.399 176.296 176.117 -0.367 0.000 1.167 85 I CA 1.248 62.325 61.300 -0.372 0.000 1.469 85 I CB -0.481 37.110 38.000 -0.682 0.000 1.098 85 I HN -0.249 nan 8.210 nan 0.000 0.436 86 D N 1.860 122.158 120.400 -0.169 0.000 2.551 86 D HA 0.019 4.645 4.640 -0.023 0.000 0.223 86 D C 1.303 177.616 176.300 0.021 0.000 1.144 86 D CA 0.022 54.025 54.000 0.006 0.000 1.025 86 D CB 0.325 41.264 40.800 0.232 0.000 1.085 86 D HN 0.197 nan 8.370 nan 0.000 0.506 87 K N 0.876 121.206 120.400 -0.117 0.000 2.152 87 K HA -0.187 4.119 4.320 -0.023 0.000 0.206 87 K C 1.648 178.317 176.600 0.117 0.000 1.048 87 K CA 0.863 57.071 56.287 -0.133 0.000 0.933 87 K CB 0.196 32.502 32.500 -0.324 0.000 0.721 87 K HN 0.231 nan 8.250 nan 0.000 0.447 88 E N 1.190 121.461 120.200 0.118 0.000 2.230 88 E HA -0.066 4.270 4.350 -0.023 0.000 0.192 88 E C 1.425 178.038 176.600 0.022 0.000 0.987 88 E CA 0.830 57.299 56.400 0.115 0.000 0.841 88 E CB 0.256 30.002 29.700 0.077 0.000 0.783 88 E HN 0.372 nan 8.360 nan 0.000 0.481 89 E N -1.247 118.946 120.200 -0.013 0.000 2.230 89 E HA -0.051 4.285 4.350 -0.023 0.000 0.192 89 E C -0.264 176.038 176.600 -0.497 0.000 0.987 89 E CA 0.455 56.719 56.400 -0.226 0.000 0.841 89 E CB 0.272 29.846 29.700 -0.211 0.000 0.783 89 E HN 0.273 nan 8.360 nan 0.000 0.481 90 Y N 0.185 120.484 120.300 -0.002 0.000 2.511 90 Y HA 0.200 4.736 4.550 -0.024 0.000 0.356 90 Y C -1.884 174.021 175.900 0.009 0.000 1.002 90 Y CA -2.143 55.954 58.100 -0.005 0.000 1.127 90 Y CB 0.927 39.371 38.460 -0.026 0.000 1.137 90 Y HN 0.015 nan 8.280 nan 0.000 0.652 91 P HA -0.204 nan 4.420 nan 0.000 0.220 91 P C 1.298 178.711 177.300 0.188 0.000 1.148 91 P CA 1.329 64.566 63.100 0.229 0.000 0.803 91 P CB 0.732 32.507 31.700 0.125 0.000 0.782 92 Q N 0.280 120.146 119.800 0.111 0.000 2.163 92 Q HA 0.020 4.347 4.340 -0.023 0.000 0.198 92 Q C 2.405 178.438 176.000 0.056 0.000 0.954 92 Q CA 1.425 57.276 55.803 0.079 0.000 0.851 92 Q CB -0.970 27.805 28.738 0.062 0.000 0.928 92 Q HN 0.048 nan 8.270 nan 0.000 0.459 93 S N 0.172 115.915 115.700 0.071 0.000 2.383 93 S HA -0.154 4.302 4.470 -0.023 0.000 0.229 93 S C 1.838 176.417 174.600 -0.034 0.000 1.030 93 S CA 1.027 59.250 58.200 0.037 0.000 1.002 93 S CB -0.468 62.765 63.200 0.055 0.000 0.829 93 S HN 0.578 nan 8.310 nan 0.000 0.467 94 A N 1.481 124.259 122.820 -0.070 0.000 1.898 94 A HA 0.129 4.435 4.320 -0.023 0.000 0.216 94 A C 2.362 179.872 177.584 -0.124 0.000 1.181 94 A CA 1.673 53.578 52.037 -0.221 0.000 0.620 94 A CB -1.103 17.687 19.000 -0.350 0.000 0.819 94 A HN 0.513 nan 8.150 nan 0.000 0.442 95 A N -0.015 122.817 122.820 0.019 0.000 1.902 95 A HA -0.109 4.198 4.320 -0.023 0.000 0.217 95 A C 2.125 179.674 177.584 -0.059 0.000 1.181 95 A CA 1.572 53.635 52.037 0.043 0.000 0.623 95 A CB -0.640 18.410 19.000 0.083 0.000 0.818 95 A HN 0.496 nan 8.150 nan 0.000 0.443 96 I N -0.040 120.461 120.570 -0.114 0.000 2.226 96 I HA -0.260 3.896 4.170 -0.023 0.000 0.245 96 I C 2.424 178.438 176.117 -0.171 0.000 1.100 96 I CA 1.781 62.903 61.300 -0.297 0.000 1.374 96 I CB -0.363 37.489 38.000 -0.247 0.000 1.057 96 I HN 0.501 nan 8.210 nan 0.000 0.413 97 D N 1.383 121.783 120.400 0.000 0.000 2.104 97 D HA -0.199 4.427 4.640 -0.023 0.000 0.194 97 D C 2.265 178.677 176.300 0.186 0.000 0.994 97 D CA 1.500 55.613 54.000 0.188 0.000 0.830 97 D CB -0.039 40.871 40.800 0.183 0.000 0.959 97 D HN 0.316 nan 8.370 nan 0.000 0.452 98 L N 0.177 121.440 121.223 0.067 0.000 2.131 98 L HA -0.111 4.215 4.340 -0.023 0.000 0.210 98 L C 2.940 179.846 176.870 0.059 0.000 1.092 98 L CA 0.825 55.708 54.840 0.072 0.000 0.759 98 L CB -0.259 41.817 42.059 0.029 0.000 0.903 98 L HN -0.015 nan 8.230 nan 0.000 0.435 99 R N -1.065 119.439 120.500 0.007 0.000 2.075 99 R HA -0.117 4.209 4.340 -0.023 0.000 0.232 99 R C 2.414 178.768 176.300 0.091 0.000 1.126 99 R CA 1.545 57.658 56.100 0.021 0.000 0.963 99 R CB -0.683 29.568 30.300 -0.082 0.000 0.858 99 R HN 0.381 nan 8.270 nan 0.000 0.435 100 C N 0.243 119.613 119.300 0.116 0.000 2.425 100 C HA -0.059 4.388 4.460 -0.023 0.000 0.277 100 C C 2.714 177.604 174.990 -0.167 0.000 1.280 100 C CA 0.410 59.493 59.018 0.109 0.000 1.744 100 C CB -0.638 27.158 27.740 0.093 0.000 1.989 100 C HN 0.288 nan 8.230 nan 0.000 0.491 101 V N 1.877 121.771 119.914 -0.033 0.000 2.332 101 V HA -0.221 3.885 4.120 -0.023 0.000 0.248 101 V C 2.243 178.298 176.094 -0.065 0.000 1.055 101 V CA 2.102 64.400 62.300 -0.003 0.000 1.038 101 V CB -0.669 31.267 31.823 0.188 0.000 0.651 101 V HN 0.536 nan 8.190 nan 0.000 0.450 102 N N -0.081 118.603 118.700 -0.027 0.000 2.084 102 N HA -0.120 4.606 4.740 -0.023 0.000 0.190 102 N C 1.824 177.259 175.510 -0.124 0.000 1.030 102 N CA 1.668 54.690 53.050 -0.047 0.000 0.849 102 N CB -0.364 38.119 38.487 -0.008 0.000 1.012 102 N HN 0.430 nan 8.380 nan 0.000 0.423 103 M N -0.008 119.512 119.600 -0.134 0.000 2.159 103 M HA -0.095 4.371 4.480 -0.023 0.000 0.263 103 M C 2.006 178.036 176.300 -0.449 0.000 1.063 103 M CA 1.017 56.166 55.300 -0.251 0.000 1.110 103 M CB -0.146 32.326 32.600 -0.214 0.000 1.374 103 M HN -0.083 nan 8.290 nan 0.000 0.411 104 V N 0.241 119.844 119.914 -0.519 0.000 2.379 104 V HA -0.185 3.921 4.120 -0.023 0.000 0.245 104 V C 2.638 178.250 176.094 -0.804 0.000 1.044 104 V CA 1.843 63.643 62.300 -0.833 0.000 1.036 104 V CB -1.155 30.083 31.823 -0.974 0.000 0.664 104 V HN 0.493 nan 8.190 nan 0.000 0.453 105 A N 0.370 122.945 122.820 -0.408 0.000 1.902 105 A HA -0.311 3.996 4.320 -0.023 0.000 0.217 105 A C 2.038 179.534 177.584 -0.147 0.000 1.181 105 A CA 2.252 54.198 52.037 -0.150 0.000 0.623 105 A CB -0.710 18.251 19.000 -0.066 0.000 0.818 105 A HN 0.616 nan 8.150 nan 0.000 0.443 106 D N -0.645 119.621 120.400 -0.223 0.000 2.117 106 D HA -0.154 4.472 4.640 -0.023 0.000 0.197 106 D C 1.729 177.838 176.300 -0.318 0.000 0.987 106 D CA 1.284 55.151 54.000 -0.222 0.000 0.829 106 D CB -0.230 40.447 40.800 -0.206 0.000 0.961 106 D HN 0.232 nan 8.370 nan 0.000 0.460 107 L N -0.371 120.608 121.223 -0.407 0.000 2.079 107 L HA -0.082 4.244 4.340 -0.023 0.000 0.210 107 L C 1.121 177.855 176.870 -0.227 0.000 1.081 107 L CA 1.259 55.844 54.840 -0.426 0.000 0.752 107 L CB -0.422 41.284 42.059 -0.588 0.000 0.896 107 L HN 0.261 nan 8.230 nan 0.000 0.433 108 W N -0.581 120.566 121.300 -0.256 0.000 3.325 108 W HA 0.235 4.881 4.660 -0.023 0.000 0.370 108 W C 0.548 177.036 176.519 -0.052 0.000 1.169 108 W CA -0.133 57.058 57.345 -0.257 0.000 1.874 108 W CB -1.478 27.805 29.460 -0.295 0.000 1.076 108 W HN 0.433 nan 8.180 nan 0.000 0.684 109 H N -1.473 117.640 119.070 0.073 0.000 2.862 109 H HA -0.106 4.436 4.556 -0.023 0.000 0.290 109 H C 0.930 176.322 175.328 0.106 0.000 1.211 109 H CA 0.492 56.561 56.048 0.035 0.000 1.140 109 H CB -1.548 28.182 29.762 -0.053 0.000 1.341 109 H HN 0.081 nan 8.280 nan 0.000 0.392 110 A N 0.573 123.511 122.820 0.196 0.000 2.445 110 A HA 0.415 4.721 4.320 -0.023 0.000 0.242 110 A C -1.626 175.893 177.584 -0.108 0.000 1.075 110 A CA -0.983 50.975 52.037 -0.131 0.000 0.777 110 A CB 0.248 19.062 19.000 -0.310 0.000 1.013 110 A HN 0.143 nan 8.150 nan 0.000 0.493 111 P HA 0.187 nan 4.420 nan 0.000 0.262 111 P C -0.092 177.166 177.300 -0.070 0.000 1.182 111 P CA 0.614 63.666 63.100 -0.080 0.000 0.761 111 P CB 0.456 32.105 31.700 -0.084 0.000 0.795 112 A N 6.291 129.085 122.820 -0.043 0.000 2.561 112 A HA 0.159 4.465 4.320 -0.023 0.000 0.251 112 A C -1.526 176.039 177.584 -0.032 0.000 1.062 112 A CA -0.705 51.310 52.037 -0.036 0.000 0.761 112 A CB -1.112 17.874 19.000 -0.024 0.000 0.986 112 A HN 0.431 nan 8.150 nan 0.000 0.510 113 P HA 0.076 nan 4.420 nan 0.000 0.271 113 P C 0.409 177.703 177.300 -0.010 0.000 1.233 113 P CA -0.236 62.854 63.100 -0.018 0.000 0.764 113 P CB 0.869 32.564 31.700 -0.008 0.000 0.825 114 K N 3.516 123.911 120.400 -0.008 0.000 2.097 114 K HA -0.193 4.113 4.320 -0.023 0.000 0.206 114 K C 1.143 177.742 176.600 -0.000 0.000 1.049 114 K CA 1.911 58.196 56.287 -0.005 0.000 0.933 114 K CB -0.606 31.891 32.500 -0.005 0.000 0.717 114 K HN 0.514 nan 8.250 nan 0.000 0.442 115 N N -0.302 118.400 118.700 0.003 0.000 2.322 115 N HA 0.090 4.816 4.740 -0.023 0.000 0.194 115 N C 0.782 176.299 175.510 0.013 0.000 1.126 115 N CA 0.107 53.162 53.050 0.008 0.000 0.845 115 N CB 0.601 39.095 38.487 0.011 0.000 0.976 115 N HN 0.370 nan 8.380 nan 0.000 0.475 116 G N 0.362 109.167 108.800 0.009 0.000 2.179 116 G HA2 -0.324 3.623 3.960 -0.023 0.000 0.260 116 G HA3 -0.324 3.623 3.960 -0.023 0.000 0.260 116 G C -0.116 174.795 174.900 0.019 0.000 0.977 116 G CA 0.382 45.489 45.100 0.012 0.000 0.641 116 G HN 0.563 nan 8.290 nan 0.000 0.533 117 Q N 0.409 120.222 119.800 0.023 0.000 2.309 117 Q HA 0.766 5.092 4.340 -0.023 0.000 0.270 117 Q C 0.183 176.205 176.000 0.037 0.000 1.023 117 Q CA 0.363 56.187 55.803 0.035 0.000 0.758 117 Q CB 1.234 30.000 28.738 0.047 0.000 1.247 117 Q HN 1.144 nan 8.270 nan 0.000 0.455 118 A N 2.809 125.651 122.820 0.037 0.000 2.406 118 A HA 0.461 4.767 4.320 -0.023 0.000 0.243 118 A C -0.478 177.167 177.584 0.101 0.000 1.082 118 A CA -0.371 51.692 52.037 0.043 0.000 0.786 118 A CB 0.534 19.548 19.000 0.023 0.000 1.029 118 A HN 0.589 nan 8.150 nan 0.000 0.495 119 V N 1.863 121.856 119.914 0.132 0.000 2.368 119 V HA 0.632 4.738 4.120 -0.023 0.000 0.266 119 V C 0.828 177.174 176.094 0.420 0.000 1.045 119 V CA 0.948 63.383 62.300 0.225 0.000 0.899 119 V CB -0.062 31.880 31.823 0.198 0.000 1.006 119 V HN 1.470 nan 8.190 nan 0.000 0.470 120 G N 3.112 112.193 108.800 0.469 0.000 2.322 120 G HA2 0.570 4.517 3.960 -0.023 0.000 0.295 120 G HA3 0.570 4.517 3.960 -0.023 0.000 0.295 120 G C -1.052 174.179 174.900 0.552 0.000 1.369 120 G CA 0.084 45.557 45.100 0.622 0.000 0.821 120 G HN 0.709 nan 8.290 nan 0.000 0.536 121 T N -0.654 114.246 114.554 0.577 0.000 2.840 121 T HA 0.504 4.840 4.350 -0.023 0.000 0.317 121 T C -1.129 173.818 174.700 0.411 0.000 1.401 121 T CA -0.644 61.763 62.100 0.512 0.000 1.028 121 T CB 1.698 70.850 68.868 0.475 0.000 1.317 121 T HN 0.801 nan 8.240 nan 0.000 0.495 122 N N 1.282 120.131 118.700 0.248 0.000 2.513 122 N HA 0.543 5.270 4.740 -0.023 0.000 0.274 122 N C -0.393 174.805 175.510 -0.520 0.000 1.189 122 N CA 0.038 52.799 53.050 -0.481 0.000 0.975 122 N CB 1.396 39.527 38.487 -0.593 0.000 1.157 122 N HN 0.882 nan 8.380 nan 0.000 0.465 123 T N -0.545 113.603 114.554 -0.677 0.000 2.812 123 T HA 0.360 4.696 4.350 -0.023 0.000 0.294 123 T C 1.387 175.749 174.700 -0.563 0.000 1.159 123 T CA -0.792 60.978 62.100 -0.549 0.000 1.008 123 T CB 0.759 69.435 68.868 -0.320 0.000 1.289 123 T HN 0.264 nan 8.240 nan 0.000 0.514 124 I N 0.826 121.148 120.570 -0.412 0.000 2.493 124 I HA 0.226 4.382 4.170 -0.023 0.000 0.254 124 I C 1.407 177.406 176.117 -0.197 0.000 1.160 124 I CA 1.640 62.764 61.300 -0.294 0.000 1.445 124 I CB -1.055 36.828 38.000 -0.194 0.000 1.086 124 I HN 1.022 nan 8.210 nan 0.000 0.433 125 G N -1.632 107.040 108.800 -0.213 0.000 2.430 125 G HA2 0.185 4.132 3.960 -0.023 0.000 0.300 125 G HA3 0.185 4.132 3.960 -0.023 0.000 0.300 125 G C 0.188 175.005 174.900 -0.138 0.000 1.330 125 G CA 0.038 45.028 45.100 -0.183 0.000 0.813 125 G HN -0.155 nan 8.290 nan 0.000 0.487 126 S N -0.548 115.116 115.700 -0.061 0.000 2.423 126 S HA -0.090 4.367 4.470 -0.023 0.000 0.231 126 S C 2.558 177.105 174.600 -0.088 0.000 1.014 126 S CA 1.853 60.043 58.200 -0.017 0.000 0.965 126 S CB -0.198 63.035 63.200 0.055 0.000 0.785 126 S HN 0.690 nan 8.310 nan 0.000 0.495 127 S N 1.268 116.912 115.700 -0.093 0.000 2.353 127 S HA -0.189 4.268 4.470 -0.023 0.000 0.222 127 S C 1.940 176.444 174.600 -0.161 0.000 1.035 127 S CA 1.706 59.820 58.200 -0.144 0.000 1.025 127 S CB -0.394 62.763 63.200 -0.072 0.000 0.902 127 S HN 0.660 nan 8.310 nan 0.000 0.440 128 E N 0.262 120.390 120.200 -0.119 0.000 2.077 128 E HA -0.111 4.225 4.350 -0.023 0.000 0.193 128 E C 2.151 178.645 176.600 -0.176 0.000 0.989 128 E CA 1.008 57.332 56.400 -0.126 0.000 0.800 128 E CB -0.429 29.190 29.700 -0.134 0.000 0.746 128 E HN 0.581 nan 8.360 nan 0.000 0.452 129 A N 0.568 123.297 122.820 -0.152 0.000 1.908 129 A HA -0.227 4.080 4.320 -0.023 0.000 0.218 129 A C 2.484 179.964 177.584 -0.173 0.000 1.181 129 A CA 1.577 53.548 52.037 -0.110 0.000 0.627 129 A CB -1.008 17.984 19.000 -0.013 0.000 0.818 129 A HN 0.536 nan 8.150 nan 0.000 0.445 130 C N -1.286 117.850 119.300 -0.273 0.000 2.446 130 C HA -0.061 4.386 4.460 -0.023 0.000 0.277 130 C C 2.866 177.398 174.990 -0.765 0.000 1.275 130 C CA 1.339 60.016 59.018 -0.569 0.000 1.727 130 C CB -1.222 25.947 27.740 -0.951 0.000 2.010 130 C HN 0.659 nan 8.230 nan 0.000 0.486 131 M N 0.149 119.419 119.600 -0.550 0.000 2.159 131 M HA -0.112 4.355 4.480 -0.023 0.000 0.263 131 M C 2.014 178.059 176.300 -0.424 0.000 1.063 131 M CA 1.633 56.659 55.300 -0.457 0.000 1.110 131 M CB -0.322 32.206 32.600 -0.120 0.000 1.374 131 M HN 0.381 nan 8.290 nan 0.000 0.411 132 L N -1.044 119.987 121.223 -0.320 0.000 2.056 132 L HA -0.083 4.243 4.340 -0.023 0.000 0.207 132 L C 2.652 179.620 176.870 0.163 0.000 1.078 132 L CA 1.283 55.973 54.840 -0.250 0.000 0.749 132 L CB -1.322 40.530 42.059 -0.345 0.000 0.901 132 L HN 0.389 nan 8.230 nan 0.000 0.433 133 G N -0.159 108.617 108.800 -0.040 0.000 2.422 133 G HA2 -0.169 3.777 3.960 -0.023 0.000 0.218 133 G HA3 -0.169 3.777 3.960 -0.023 0.000 0.218 133 G C 1.589 176.429 174.900 -0.100 0.000 1.146 133 G CA 0.728 45.794 45.100 -0.057 0.000 0.769 133 G HN 0.474 nan 8.290 nan 0.000 0.547 134 G N 0.622 109.177 108.800 -0.408 0.000 2.402 134 G HA2 -0.175 3.771 3.960 -0.023 0.000 0.216 134 G HA3 -0.175 3.771 3.960 -0.023 0.000 0.216 134 G C 1.878 176.765 174.900 -0.021 0.000 1.162 134 G CA 0.891 45.635 45.100 -0.593 0.000 0.777 134 G HN 0.385 nan 8.290 nan 0.000 0.539 135 M N 0.726 120.344 119.600 0.029 0.000 2.117 135 M HA -0.046 4.420 4.480 -0.023 0.000 0.262 135 M C 3.062 179.616 176.300 0.423 0.000 1.065 135 M CA 1.441 56.888 55.300 0.244 0.000 1.114 135 M CB -0.253 32.398 32.600 0.085 0.000 1.361 135 M HN 0.342 nan 8.290 nan 0.000 0.408 136 A N -0.022 123.021 122.820 0.371 0.000 1.933 136 A HA -0.175 4.132 4.320 -0.023 0.000 0.218 136 A C 2.123 179.949 177.584 0.403 0.000 1.175 136 A CA 1.466 53.715 52.037 0.353 0.000 0.628 136 A CB -0.579 18.711 19.000 0.483 0.000 0.814 136 A HN 0.447 nan 8.150 nan 0.000 0.444 137 M N -0.965 118.855 119.600 0.366 0.000 2.086 137 M HA -0.173 4.293 4.480 -0.023 0.000 0.261 137 M C 2.359 178.891 176.300 0.388 0.000 1.067 137 M CA 2.099 57.593 55.300 0.324 0.000 1.116 137 M CB -0.322 32.407 32.600 0.214 0.000 1.348 137 M HN 0.499 nan 8.290 nan 0.000 0.407 138 K N -0.255 120.409 120.400 0.440 0.000 2.063 138 K HA -0.215 4.092 4.320 -0.023 0.000 0.208 138 K C 1.991 178.890 176.600 0.498 0.000 1.048 138 K CA 1.422 57.991 56.287 0.471 0.000 0.928 138 K CB -0.148 32.639 32.500 0.478 0.000 0.713 138 K HN 0.450 nan 8.250 nan 0.000 0.442 139 W N 1.323 122.783 121.300 0.265 0.000 2.381 139 W HA -0.121 4.525 4.660 -0.022 0.000 0.301 139 W C 2.081 178.701 176.519 0.169 0.000 1.205 139 W CA 0.988 58.448 57.345 0.193 0.000 1.285 139 W CB -0.085 29.447 29.460 0.119 0.000 1.133 139 W HN 0.186 nan 8.180 nan 0.000 0.521 140 R N -1.015 119.727 120.500 0.403 0.000 2.096 140 R HA -0.218 4.109 4.340 -0.023 0.000 0.235 140 R C 1.970 178.421 176.300 0.252 0.000 1.127 140 R CA 1.911 58.177 56.100 0.277 0.000 0.968 140 R CB -1.146 29.313 30.300 0.265 0.000 0.861 140 R HN 0.214 nan 8.270 nan 0.000 0.440 141 W N 2.023 123.400 121.300 0.127 0.000 2.355 141 W HA -0.130 4.516 4.660 -0.023 0.000 0.309 141 W C 1.957 178.503 176.519 0.044 0.000 1.206 141 W CA 1.174 58.571 57.345 0.086 0.000 1.284 141 W CB -0.132 29.384 29.460 0.094 0.000 1.145 141 W HN -0.142 nan 8.180 nan 0.000 0.502 142 R N 0.343 120.807 120.500 -0.060 0.000 2.083 142 R HA -0.176 4.150 4.340 -0.023 0.000 0.237 142 R C 2.265 178.387 176.300 -0.296 0.000 1.137 142 R CA 2.117 57.998 56.100 -0.364 0.000 0.951 142 R CB -0.537 29.622 30.300 -0.235 0.000 0.851 142 R HN 0.195 nan 8.270 nan 0.000 0.434 143 K N 0.028 120.357 120.400 -0.119 0.000 2.147 143 K HA -0.158 4.148 4.320 -0.023 0.000 0.205 143 K C 2.208 178.744 176.600 -0.105 0.000 1.049 143 K CA 1.004 57.246 56.287 -0.074 0.000 0.936 143 K CB -0.114 32.396 32.500 0.017 0.000 0.722 143 K HN 0.122 nan 8.250 nan 0.000 0.446 144 R N 0.461 120.887 120.500 -0.123 0.000 2.075 144 R HA -0.053 4.273 4.340 -0.023 0.000 0.232 144 R C 2.163 178.344 176.300 -0.198 0.000 1.126 144 R CA 1.146 57.177 56.100 -0.115 0.000 0.963 144 R CB 0.061 30.328 30.300 -0.056 0.000 0.858 144 R HN 0.094 nan 8.270 nan 0.000 0.435 145 M N 0.645 120.013 119.600 -0.387 0.000 2.175 145 M HA -0.104 4.362 4.480 -0.023 0.000 0.264 145 M C 1.760 177.906 176.300 -0.256 0.000 1.063 145 M CA 1.582 56.644 55.300 -0.397 0.000 1.119 145 M CB -0.755 31.407 32.600 -0.730 0.000 1.377 145 M HN 0.184 nan 8.290 nan 0.000 0.415 146 E N 0.438 120.495 120.200 -0.238 0.000 2.106 146 E HA -0.091 4.245 4.350 -0.023 0.000 0.192 146 E C 2.060 178.596 176.600 -0.105 0.000 0.984 146 E CA 1.193 57.500 56.400 -0.154 0.000 0.806 146 E CB -0.149 29.470 29.700 -0.134 0.000 0.750 146 E HN 0.498 nan 8.360 nan 0.000 0.458 147 A N 1.243 124.004 122.820 -0.098 0.000 2.015 147 A HA 0.032 4.338 4.320 -0.023 0.000 0.219 147 A C 2.246 179.795 177.584 -0.059 0.000 1.163 147 A CA 1.359 53.358 52.037 -0.064 0.000 0.646 147 A CB -0.220 18.751 19.000 -0.049 0.000 0.806 147 A HN 0.258 nan 8.150 nan 0.000 0.448 148 A N -1.826 120.948 122.820 -0.076 0.000 2.238 148 A HA 0.432 4.738 4.320 -0.023 0.000 0.210 148 A C 1.687 179.235 177.584 -0.059 0.000 1.179 148 A CA 1.082 53.083 52.037 -0.061 0.000 0.827 148 A CB -0.747 18.215 19.000 -0.063 0.000 0.856 148 A HN 1.820 nan 8.150 nan 0.000 0.488 149 G N -0.215 108.541 108.800 -0.073 0.000 2.176 149 G HA2 -0.248 3.698 3.960 -0.023 0.000 0.252 149 G HA3 -0.248 3.698 3.960 -0.023 0.000 0.252 149 G C 0.012 174.874 174.900 -0.064 0.000 1.024 149 G CA 0.640 45.703 45.100 -0.063 0.000 0.755 149 G HN 0.587 nan 8.290 nan 0.000 0.507 150 K N 0.068 120.414 120.400 -0.090 0.000 2.156 150 K HA 0.539 4.845 4.320 -0.023 0.000 0.250 150 K C -2.410 174.127 176.600 -0.105 0.000 0.955 150 K CA -2.140 54.100 56.287 -0.078 0.000 0.855 150 K CB 1.593 34.053 32.500 -0.067 0.000 1.101 150 K HN -0.027 nan 8.250 nan 0.000 0.434 151 P HA -0.014 nan 4.420 nan 0.000 0.269 151 P C -0.037 177.224 177.300 -0.066 0.000 1.215 151 P CA -0.021 63.055 63.100 -0.040 0.000 0.780 151 P CB 0.459 32.168 31.700 0.015 0.000 0.898 152 T N -3.705 110.818 114.554 -0.052 0.000 3.339 152 T HA 0.100 4.437 4.350 -0.023 0.000 0.292 152 T C 0.488 175.338 174.700 0.250 0.000 1.012 152 T CA -0.335 61.749 62.100 -0.028 0.000 0.937 152 T CB -0.514 68.200 68.868 -0.257 0.000 1.164 152 T HN 0.368 nan 8.240 nan 0.000 0.509 153 D N 1.302 121.816 120.400 0.190 0.000 2.350 153 D HA 0.016 4.642 4.640 -0.023 0.000 0.213 153 D C 0.619 177.013 176.300 0.156 0.000 1.031 153 D CA -0.061 54.029 54.000 0.150 0.000 0.861 153 D CB 0.149 41.000 40.800 0.084 0.000 0.926 153 D HN 0.390 nan 8.370 nan 0.000 0.520 154 K N 1.733 122.261 120.400 0.213 0.000 3.163 154 K HA 0.267 4.573 4.320 -0.023 0.000 0.186 154 K C -2.578 174.041 176.600 0.033 0.000 1.111 154 K CA -1.379 54.978 56.287 0.117 0.000 0.918 154 K CB 1.707 34.268 32.500 0.102 0.000 1.059 154 K HN 0.154 nan 8.250 nan 0.000 0.558 155 P HA 0.022 nan 4.420 nan 0.000 0.275 155 P C -1.114 175.998 177.300 -0.313 0.000 1.228 155 P CA -0.214 62.552 63.100 -0.556 0.000 0.786 155 P CB 0.821 32.116 31.700 -0.675 0.000 0.927 156 N N 1.618 120.106 118.700 -0.352 0.000 2.455 156 N HA 0.620 5.346 4.740 -0.023 0.000 0.278 156 N C -1.769 173.634 175.510 -0.179 0.000 1.291 156 N CA -0.993 51.947 53.050 -0.184 0.000 0.780 156 N CB 1.177 39.591 38.487 -0.121 0.000 1.520 156 N HN 0.243 nan 8.380 nan 0.000 0.486 157 L N 0.768 121.935 121.223 -0.094 0.000 2.409 157 L HA 0.660 4.987 4.340 -0.023 0.000 0.272 157 L C -1.582 175.225 176.870 -0.105 0.000 0.980 157 L CA -0.814 53.978 54.840 -0.081 0.000 0.826 157 L CB 1.954 44.026 42.059 0.022 0.000 1.268 157 L HN 0.545 nan 8.230 nan 0.000 0.407 158 V N 4.465 124.300 119.914 -0.131 0.000 2.439 158 V HA 0.702 4.808 4.120 -0.023 0.000 0.282 158 V C 0.150 176.147 176.094 -0.162 0.000 1.039 158 V CA -0.162 62.059 62.300 -0.131 0.000 0.913 158 V CB 1.027 32.772 31.823 -0.131 0.000 0.983 158 V HN 1.079 nan 8.190 nan 0.000 0.460 159 C N 2.382 121.596 119.300 -0.144 0.000 3.314 159 C HA 0.981 5.428 4.460 -0.023 0.000 0.344 159 C C 0.526 175.467 174.990 -0.081 0.000 1.461 159 C CA -0.041 58.881 59.018 -0.160 0.000 1.249 159 C CB 1.174 28.760 27.740 -0.257 0.000 1.632 159 C HN 0.979 nan 8.230 nan 0.000 0.452 160 G N -0.406 108.367 108.800 -0.045 0.000 2.940 160 G HA2 0.747 4.693 3.960 -0.023 0.000 0.164 160 G HA3 0.747 4.693 3.960 -0.023 0.000 0.164 160 G C -2.513 172.424 174.900 0.063 0.000 1.326 160 G CA -0.713 44.402 45.100 0.026 0.000 1.020 160 G HN 0.803 nan 8.290 nan 0.000 0.586 161 P HA 0.165 nan 4.420 nan 0.000 0.241 161 P C 0.452 177.963 177.300 0.351 0.000 1.760 161 P CA -0.134 63.083 63.100 0.195 0.000 1.081 161 P CB -0.187 31.628 31.700 0.192 0.000 1.975 162 V N -0.445 119.635 119.914 0.277 0.000 3.051 162 V HA 0.193 4.300 4.120 -0.023 0.000 0.306 162 V C 0.701 177.062 176.094 0.444 0.000 1.083 162 V CA -0.648 61.843 62.300 0.317 0.000 1.104 162 V CB 0.376 32.343 31.823 0.239 0.000 1.027 162 V HN 0.266 nan 8.190 nan 0.000 0.483 163 Q N 0.845 120.857 119.800 0.352 0.000 2.417 163 Q HA 0.144 4.471 4.340 -0.023 0.000 0.241 163 Q C 0.856 177.037 176.000 0.303 0.000 1.008 163 Q CA -0.265 55.657 55.803 0.199 0.000 0.901 163 Q CB 1.134 29.892 28.738 0.033 0.000 1.259 163 Q HN 0.879 nan 8.270 nan 0.000 0.489 164 I N 3.004 123.685 120.570 0.185 0.000 2.381 164 I HA -0.334 3.822 4.170 -0.023 0.000 0.255 164 I C 2.275 178.493 176.117 0.168 0.000 1.140 164 I CA 1.584 62.987 61.300 0.171 0.000 1.404 164 I CB -0.476 37.539 38.000 0.024 0.000 1.075 164 I HN 0.843 nan 8.210 nan 0.000 0.433 165 C N -1.358 117.975 119.300 0.054 0.000 2.410 165 C HA -0.166 4.280 4.460 -0.023 0.000 0.281 165 C C 2.431 177.362 174.990 -0.099 0.000 1.318 165 C CA 0.213 59.183 59.018 -0.079 0.000 1.776 165 C CB -2.243 25.354 27.740 -0.238 0.000 1.942 165 C HN 0.675 nan 8.230 nan 0.000 0.508 166 W N -0.073 121.310 121.300 0.138 0.000 2.584 166 W HA 0.077 4.723 4.660 -0.022 0.000 0.264 166 W C 2.914 179.493 176.519 0.099 0.000 1.264 166 W CA 0.974 58.391 57.345 0.119 0.000 1.306 166 W CB -0.507 28.974 29.460 0.035 0.000 1.110 166 W HN 0.485 nan 8.180 nan 0.000 0.606 167 H N 0.252 119.461 119.070 0.232 0.000 2.395 167 H HA -0.031 4.511 4.556 -0.023 0.000 0.299 167 H C 1.824 177.136 175.328 -0.028 0.000 1.070 167 H CA 1.254 57.367 56.048 0.109 0.000 1.356 167 H CB 0.098 29.896 29.762 0.061 0.000 1.401 167 H HN 0.230 nan 8.280 nan 0.000 0.524 168 K N 0.331 120.738 120.400 0.012 0.000 2.057 168 K HA -0.120 4.186 4.320 -0.023 0.000 0.206 168 K C 2.068 178.453 176.600 -0.358 0.000 1.050 168 K CA 0.958 56.999 56.287 -0.409 0.000 0.935 168 K CB -0.250 32.066 32.500 -0.307 0.000 0.715 168 K HN 0.082 nan 8.250 nan 0.000 0.439 169 F N 2.242 122.168 119.950 -0.039 0.000 2.095 169 F HA -0.242 4.271 4.527 -0.023 0.000 0.298 169 F C 2.213 178.189 175.800 0.293 0.000 1.104 169 F CA 1.456 59.608 58.000 0.253 0.000 1.232 169 F CB -0.477 38.597 39.000 0.122 0.000 0.987 169 F HN -0.016 nan 8.300 nan 0.000 0.475 170 A N 0.467 123.336 122.820 0.081 0.000 1.883 170 A HA -0.241 4.065 4.320 -0.023 0.000 0.217 170 A C 2.237 179.768 177.584 -0.087 0.000 1.186 170 A CA 2.056 54.075 52.037 -0.031 0.000 0.624 170 A CB -0.842 18.190 19.000 0.054 0.000 0.822 170 A HN 0.439 nan 8.150 nan 0.000 0.444 171 R N -1.208 119.221 120.500 -0.118 0.000 2.066 171 R HA -0.109 4.217 4.340 -0.023 0.000 0.232 171 R C 1.783 178.068 176.300 -0.026 0.000 1.131 171 R CA 1.842 57.879 56.100 -0.105 0.000 0.955 171 R CB -0.878 29.316 30.300 -0.177 0.000 0.851 171 R HN 0.544 nan 8.270 nan 0.000 0.432 172 Y N -1.617 118.625 120.300 -0.097 0.000 2.373 172 Y HA -0.067 4.469 4.550 -0.023 0.000 0.293 172 Y C 1.343 176.944 175.900 -0.500 0.000 1.129 172 Y CA 0.124 58.034 58.100 -0.316 0.000 1.226 172 Y CB -0.346 37.852 38.460 -0.436 0.000 1.000 172 Y HN 0.172 nan 8.280 nan 0.000 0.549 173 W N 0.741 121.964 121.300 -0.129 0.000 2.966 173 W HA 0.174 4.820 4.660 -0.024 0.000 0.406 173 W C -0.408 176.018 176.519 -0.156 0.000 1.027 173 W CA -0.108 57.131 57.345 -0.177 0.000 1.930 173 W CB 0.075 29.286 29.460 -0.415 0.000 1.144 173 W HN 0.097 nan 8.180 nan 0.000 0.626 174 D N 0.934 121.336 120.400 0.004 0.000 2.697 174 D HA -0.152 4.474 4.640 -0.023 0.000 0.238 174 D C -0.388 175.909 176.300 -0.004 0.000 1.152 174 D CA 0.757 54.759 54.000 0.004 0.000 0.666 174 D CB -1.558 39.255 40.800 0.022 0.000 1.037 174 D HN -0.122 nan 8.370 nan 0.000 0.423 175 V N 0.635 120.524 119.914 -0.042 0.000 2.495 175 V HA 0.180 4.287 4.120 -0.023 0.000 0.298 175 V C 0.652 176.730 176.094 -0.026 0.000 1.031 175 V CA -0.846 61.430 62.300 -0.040 0.000 0.871 175 V CB 2.176 33.983 31.823 -0.027 0.000 0.988 175 V HN 0.160 nan 8.190 nan 0.000 0.432 176 E N 3.924 124.102 120.200 -0.036 0.000 2.265 176 E HA 0.177 4.513 4.350 -0.023 0.000 0.272 176 E C -0.904 175.679 176.600 -0.029 0.000 1.067 176 E CA -0.604 55.779 56.400 -0.028 0.000 0.900 176 E CB 0.951 30.632 29.700 -0.032 0.000 1.017 176 E HN 0.519 nan 8.360 nan 0.000 0.431 177 L N 5.729 126.938 121.223 -0.023 0.000 2.281 177 L HA 0.232 4.558 4.340 -0.023 0.000 0.285 177 L C -0.301 176.537 176.870 -0.053 0.000 1.074 177 L CA 0.134 54.948 54.840 -0.044 0.000 0.817 177 L CB 0.624 42.630 42.059 -0.088 0.000 1.168 177 L HN 0.516 nan 8.230 nan 0.000 0.434 178 R N 4.641 125.103 120.500 -0.064 0.000 2.575 178 R HA 0.214 4.541 4.340 -0.023 0.000 0.281 178 R C -0.658 175.602 176.300 -0.066 0.000 1.272 178 R CA -0.289 55.776 56.100 -0.058 0.000 1.417 178 R CB 0.555 30.818 30.300 -0.062 0.000 1.121 178 R HN 0.623 nan 8.270 nan 0.000 0.583 179 E N 3.158 123.325 120.200 -0.054 0.000 2.194 179 E HA 0.106 4.443 4.350 -0.023 0.000 0.284 179 E C -0.507 176.076 176.600 -0.028 0.000 1.035 179 E CA -0.816 55.557 56.400 -0.044 0.000 0.836 179 E CB 0.689 30.376 29.700 -0.022 0.000 1.070 179 E HN 0.229 nan 8.360 nan 0.000 0.401 180 I N 8.321 128.871 120.570 -0.033 0.000 2.505 180 I HA 0.101 4.258 4.170 -0.023 0.000 0.287 180 I C -1.830 174.269 176.117 -0.029 0.000 1.104 180 I CA -2.212 59.068 61.300 -0.034 0.000 1.387 180 I CB 0.454 38.433 38.000 -0.036 0.000 1.404 180 I HN 0.489 nan 8.210 nan 0.000 0.528 181 P HA 0.160 nan 4.420 nan 0.000 0.274 181 P C -0.529 176.734 177.300 -0.063 0.000 1.231 181 P CA -0.526 62.550 63.100 -0.040 0.000 0.790 181 P CB 0.709 32.388 31.700 -0.035 0.000 0.951 182 M N 2.461 122.025 119.600 -0.061 0.000 2.243 182 M HA 0.230 4.696 4.480 -0.023 0.000 0.341 182 M C 0.942 177.195 176.300 -0.078 0.000 1.130 182 M CA 0.620 55.875 55.300 -0.074 0.000 1.162 182 M CB 0.230 32.801 32.600 -0.048 0.000 1.497 182 M HN 0.374 nan 8.290 nan 0.000 0.456 183 R N 1.095 121.536 120.500 -0.098 0.000 2.707 183 R HA 0.643 4.970 4.340 -0.023 0.000 0.272 183 R C -3.135 173.123 176.300 -0.071 0.000 1.011 183 R CA -2.133 53.919 56.100 -0.079 0.000 0.893 183 R CB 0.139 30.386 30.300 -0.088 0.000 1.233 183 R HN 0.223 nan 8.270 nan 0.000 0.464 184 P HA 0.024 nan 4.420 nan 0.000 0.260 184 P C 0.526 177.808 177.300 -0.030 0.000 1.185 184 P CA 1.729 64.812 63.100 -0.027 0.000 0.763 184 P CB 0.786 32.475 31.700 -0.018 0.000 0.776 185 G N 3.057 111.850 108.800 -0.012 0.000 2.397 185 G HA2 -0.181 3.765 3.960 -0.023 0.000 0.211 185 G HA3 -0.181 3.765 3.960 -0.023 0.000 0.211 185 G C -0.253 174.640 174.900 -0.012 0.000 1.077 185 G CA 0.055 45.156 45.100 0.002 0.000 0.649 185 G HN 0.667 nan 8.290 nan 0.000 0.511 186 Q N 0.526 120.236 119.800 -0.150 0.000 2.533 186 Q HA 0.702 5.029 4.340 -0.023 0.000 0.251 186 Q C -0.224 175.472 176.000 -0.507 0.000 0.966 186 Q CA -0.863 54.651 55.803 -0.481 0.000 0.714 186 Q CB 0.989 29.269 28.738 -0.763 0.000 1.284 186 Q HN 0.367 nan 8.270 nan 0.000 0.478 187 L N 4.286 125.412 121.223 -0.161 0.000 2.955 187 L HA 0.388 4.714 4.340 -0.023 0.000 0.238 187 L C -0.837 176.127 176.870 0.157 0.000 1.359 187 L CA -0.146 54.700 54.840 0.011 0.000 1.214 187 L CB -1.075 41.063 42.059 0.133 0.000 1.600 187 L HN 0.595 nan 8.230 nan 0.000 0.442 188 F N -2.699 117.282 119.950 0.053 0.000 2.877 188 F HA 0.443 4.956 4.527 -0.023 0.000 0.319 188 F C -0.653 175.171 175.800 0.039 0.000 1.174 188 F CA -1.568 56.465 58.000 0.056 0.000 0.903 188 F CB 1.358 40.399 39.000 0.068 0.000 1.357 188 F HN -0.184 nan 8.300 nan 0.000 0.472 189 M N 3.606 123.386 119.600 0.300 0.000 2.105 189 M HA 0.258 4.724 4.480 -0.023 0.000 0.350 189 M C -1.050 175.432 176.300 0.303 0.000 1.308 189 M CA -0.309 55.090 55.300 0.165 0.000 1.108 189 M CB 0.219 32.879 32.600 0.099 0.000 1.622 189 M HN 0.707 nan 8.290 nan 0.000 0.468 190 D N 5.437 125.934 120.400 0.162 0.000 2.294 190 D HA 0.339 4.965 4.640 -0.023 0.000 0.250 190 D C -2.527 173.842 176.300 0.115 0.000 1.058 190 D CA -1.701 52.433 54.000 0.222 0.000 0.950 190 D CB 0.635 41.505 40.800 0.117 0.000 1.158 190 D HN 0.291 nan 8.370 nan 0.000 0.453 191 P HA -0.177 nan 4.420 nan 0.000 0.215 191 P C 1.504 178.817 177.300 0.021 0.000 1.157 191 P CA 1.713 64.848 63.100 0.058 0.000 0.874 191 P CB 0.187 31.928 31.700 0.070 0.000 0.790 192 K N -0.082 120.335 120.400 0.029 0.000 2.009 192 K HA -0.163 4.143 4.320 -0.023 0.000 0.210 192 K C 2.196 178.788 176.600 -0.013 0.000 1.049 192 K CA 1.544 57.837 56.287 0.010 0.000 0.929 192 K CB -0.192 32.318 32.500 0.017 0.000 0.714 192 K HN -0.082 nan 8.250 nan 0.000 0.440 193 R N 0.130 120.619 120.500 -0.017 0.000 2.148 193 R HA -0.078 4.248 4.340 -0.023 0.000 0.227 193 R C 2.401 178.669 176.300 -0.053 0.000 1.103 193 R CA 1.350 57.429 56.100 -0.034 0.000 0.983 193 R CB -0.218 30.058 30.300 -0.040 0.000 0.874 193 R HN 0.418 nan 8.270 nan 0.000 0.451 194 M N 0.704 120.273 119.600 -0.052 0.000 2.067 194 M HA -0.178 4.288 4.480 -0.023 0.000 0.260 194 M C 1.782 177.988 176.300 -0.158 0.000 1.069 194 M CA 1.733 56.981 55.300 -0.087 0.000 1.117 194 M CB 0.033 32.592 32.600 -0.067 0.000 1.334 194 M HN 0.025 nan 8.290 nan 0.000 0.407 195 I N 1.113 121.581 120.570 -0.170 0.000 2.208 195 I HA -0.275 3.882 4.170 -0.023 0.000 0.245 195 I C 2.065 178.046 176.117 -0.227 0.000 1.097 195 I CA 1.710 62.834 61.300 -0.292 0.000 1.363 195 I CB -1.601 36.300 38.000 -0.164 0.000 1.051 195 I HN 0.456 nan 8.210 nan 0.000 0.413 196 E N 0.670 120.808 120.200 -0.103 0.000 2.333 196 E HA -0.125 4.212 4.350 -0.023 0.000 0.198 196 E C 1.939 178.503 176.600 -0.060 0.000 1.007 196 E CA 1.047 57.417 56.400 -0.051 0.000 0.845 196 E CB -0.035 29.650 29.700 -0.026 0.000 0.766 196 E HN 0.499 nan 8.360 nan 0.000 0.507 197 A N 0.238 122.998 122.820 -0.099 0.000 2.252 197 A HA 0.087 4.394 4.320 -0.023 0.000 0.213 197 A C 0.941 178.461 177.584 -0.106 0.000 1.188 197 A CA -0.245 51.741 52.037 -0.084 0.000 0.863 197 A CB 0.272 19.222 19.000 -0.082 0.000 0.893 197 A HN 0.176 nan 8.150 nan 0.000 0.495 198 C N 1.751 120.933 119.300 -0.196 0.000 2.539 198 C HA 0.596 5.042 4.460 -0.023 0.000 0.392 198 C C 0.083 175.059 174.990 -0.023 0.000 1.269 198 C CA -0.171 58.709 59.018 -0.230 0.000 2.250 198 C CB 0.225 27.597 27.740 -0.613 0.000 2.584 198 C HN 0.771 nan 8.230 nan 0.000 0.589 199 D N -0.444 120.017 120.400 0.102 0.000 2.838 199 D HA 0.148 4.774 4.640 -0.023 0.000 0.334 199 D C 0.382 176.830 176.300 0.245 0.000 1.315 199 D CA -0.670 53.469 54.000 0.231 0.000 0.917 199 D CB 0.089 40.975 40.800 0.143 0.000 1.435 199 D HN 0.598 nan 8.370 nan 0.000 0.517 200 E N -0.615 119.724 120.200 0.231 0.000 2.333 200 E HA -0.149 4.187 4.350 -0.023 0.000 0.198 200 E C 0.398 177.242 176.600 0.407 0.000 1.007 200 E CA 0.759 57.321 56.400 0.269 0.000 0.845 200 E CB -0.433 29.384 29.700 0.194 0.000 0.766 200 E HN 0.275 nan 8.360 nan 0.000 0.507 201 N N 0.769 119.642 118.700 0.288 0.000 2.336 201 N HA 0.011 4.737 4.740 -0.023 0.000 0.189 201 N C -0.352 175.011 175.510 -0.245 0.000 1.113 201 N CA 0.336 53.531 53.050 0.242 0.000 0.858 201 N CB 0.669 39.247 38.487 0.151 0.000 0.970 201 N HN 0.049 nan 8.380 nan 0.000 0.471 202 T N 2.121 116.611 114.554 -0.108 0.000 2.769 202 T HA 0.134 4.471 4.350 -0.023 0.000 0.293 202 T C 1.919 176.419 174.700 -0.333 0.000 0.931 202 T CA -0.272 61.703 62.100 -0.209 0.000 1.139 202 T CB 0.556 69.382 68.868 -0.071 0.000 0.881 202 T HN 0.230 nan 8.240 nan 0.000 0.532 203 I N 0.938 121.211 120.570 -0.496 0.000 2.928 203 I HA 0.411 4.567 4.170 -0.023 0.000 0.266 203 I C 0.952 177.057 176.117 -0.020 0.000 1.234 203 I CA 0.115 61.210 61.300 -0.342 0.000 1.483 203 I CB -0.065 37.779 38.000 -0.260 0.000 1.097 203 I HN 0.668 nan 8.210 nan 0.000 0.455 204 G N 0.111 108.879 108.800 -0.053 0.000 2.313 204 G HA2 0.410 4.357 3.960 -0.023 0.000 0.296 204 G HA3 0.410 4.357 3.960 -0.023 0.000 0.296 204 G C -1.749 173.103 174.900 -0.081 0.000 1.356 204 G CA -0.427 44.663 45.100 -0.017 0.000 0.833 204 G HN -0.063 nan 8.290 nan 0.000 0.552 205 V N -0.309 119.554 119.914 -0.084 0.000 2.555 205 V HA 0.677 4.783 4.120 -0.023 0.000 0.302 205 V C -0.254 175.738 176.094 -0.170 0.000 1.038 205 V CA -0.705 61.516 62.300 -0.131 0.000 0.887 205 V CB 1.826 33.585 31.823 -0.106 0.000 0.991 205 V HN 0.762 nan 8.190 nan 0.000 0.434 206 V N 6.613 126.366 119.914 -0.268 0.000 2.305 206 V HA 0.362 4.469 4.120 -0.023 0.000 0.275 206 V C -2.522 173.416 176.094 -0.261 0.000 1.020 206 V CA -1.626 60.457 62.300 -0.361 0.000 0.811 206 V CB 1.484 32.797 31.823 -0.849 0.000 1.031 206 V HN 0.741 nan 8.190 nan 0.000 0.439 207 P HA 0.351 nan 4.420 nan 0.000 0.282 207 P C -0.283 176.990 177.300 -0.046 0.000 1.249 207 P CA -0.165 62.893 63.100 -0.070 0.000 0.806 207 P CB 0.761 32.437 31.700 -0.041 0.000 0.984 208 T N 3.248 117.809 114.554 0.011 0.000 2.781 208 T HA 0.253 4.590 4.350 -0.023 0.000 0.305 208 T C -0.322 174.436 174.700 0.096 0.000 1.001 208 T CA -0.036 62.099 62.100 0.059 0.000 0.950 208 T CB -0.548 68.369 68.868 0.081 0.000 0.955 208 T HN 0.160 nan 8.240 nan 0.000 0.471 209 F N 3.728 123.601 119.950 -0.129 0.000 2.659 209 F HA 0.494 5.007 4.527 -0.023 0.000 0.360 209 F C 1.053 176.853 175.800 0.000 0.000 1.218 209 F CA -0.793 57.073 58.000 -0.224 0.000 1.317 209 F CB -0.591 38.090 39.000 -0.531 0.000 1.697 209 F HN 0.785 nan 8.300 nan 0.000 0.637 210 G N 2.795 111.595 108.800 0.000 0.000 2.328 210 G HA2 0.015 3.962 3.960 -0.023 0.000 0.244 210 G HA3 0.015 3.962 3.960 -0.023 0.000 0.244 210 G C -1.192 173.725 174.900 0.028 0.000 1.317 210 G CA -0.801 44.278 45.100 -0.036 0.000 1.261 210 G HN 0.308 nan 8.290 nan 0.000 0.648 211 V N 2.182 122.109 119.914 0.022 0.000 2.529 211 V HA 0.264 4.371 4.120 -0.023 0.000 0.292 211 V C 2.228 178.355 176.094 0.054 0.000 1.028 211 V CA 0.982 63.324 62.300 0.070 0.000 1.074 211 V CB 0.815 32.727 31.823 0.148 0.000 0.958 211 V HN 1.041 nan 8.190 nan 0.000 0.481 212 T N 2.135 116.607 114.554 -0.136 0.000 2.708 212 T HA -0.248 4.088 4.350 -0.023 0.000 0.266 212 T C 1.455 176.083 174.700 -0.120 0.000 1.037 212 T CA 1.820 63.758 62.100 -0.270 0.000 1.146 212 T CB -0.556 67.842 68.868 -0.785 0.000 0.865 212 T HN 0.589 nan 8.240 nan 0.000 0.435 213 Y N 2.748 123.136 120.300 0.146 0.000 2.333 213 Y HA 0.032 4.569 4.550 -0.022 0.000 0.290 213 Y C 3.006 179.097 175.900 0.319 0.000 1.144 213 Y CA 1.198 59.450 58.100 0.255 0.000 1.228 213 Y CB -0.813 37.781 38.460 0.223 0.000 0.985 213 Y HN 0.583 nan 8.280 nan 0.000 0.542 214 T N -6.414 108.331 114.554 0.319 0.000 2.954 214 T HA 0.469 4.806 4.350 -0.023 0.000 0.252 214 T C 1.784 176.557 174.700 0.121 0.000 0.983 214 T CA 0.413 62.639 62.100 0.211 0.000 0.941 214 T CB 0.337 69.317 68.868 0.186 0.000 1.141 214 T HN 0.374 nan 8.240 nan 0.000 0.500 215 G N 1.924 110.785 108.800 0.101 0.000 2.199 215 G HA2 -0.230 3.716 3.960 -0.023 0.000 0.254 215 G HA3 -0.230 3.716 3.960 -0.023 0.000 0.254 215 G C -0.067 174.732 174.900 -0.170 0.000 0.982 215 G CA -0.043 45.052 45.100 -0.007 0.000 0.632 215 G HN 0.626 nan 8.290 nan 0.000 0.529 216 N N -0.072 118.554 118.700 -0.123 0.000 2.508 216 N HA 0.536 5.262 4.740 -0.023 0.000 0.285 216 N C -0.357 174.971 175.510 -0.302 0.000 1.144 216 N CA -0.252 52.653 53.050 -0.242 0.000 0.978 216 N CB 0.502 38.935 38.487 -0.090 0.000 1.180 216 N HN 0.101 nan 8.380 nan 0.000 0.484 217 Y N 0.484 120.516 120.300 -0.447 0.000 2.304 217 Y HA 0.153 4.689 4.550 -0.023 0.000 0.327 217 Y C 0.988 176.496 175.900 -0.653 0.000 1.209 217 Y CA -0.172 57.512 58.100 -0.693 0.000 1.299 217 Y CB 0.557 38.331 38.460 -1.143 0.000 1.249 217 Y HN 0.288 nan 8.280 nan 0.000 0.519 218 E N 2.619 122.696 120.200 -0.206 0.000 2.109 218 E HA 0.244 4.581 4.350 -0.023 0.000 0.278 218 E C -1.389 175.124 176.600 -0.145 0.000 0.954 218 E CA -0.572 55.739 56.400 -0.147 0.000 0.779 218 E CB 0.594 30.306 29.700 0.020 0.000 1.093 218 E HN 0.357 nan 8.360 nan 0.000 0.401 219 F N 4.740 124.723 119.950 0.054 0.000 2.444 219 F HA 0.176 4.690 4.527 -0.023 0.000 0.360 219 F C -1.442 174.371 175.800 0.022 0.000 1.106 219 F CA -2.044 55.994 58.000 0.064 0.000 1.170 219 F CB 0.742 39.756 39.000 0.023 0.000 1.113 219 F HN 0.442 nan 8.300 nan 0.000 0.521 220 P HA -0.190 nan 4.420 nan 0.000 0.219 220 P C 1.645 178.996 177.300 0.086 0.000 1.150 220 P CA 1.020 64.153 63.100 0.054 0.000 0.814 220 P CB 0.154 31.823 31.700 -0.051 0.000 0.787 221 Q N -0.110 119.736 119.800 0.076 0.000 2.030 221 Q HA -0.155 4.171 4.340 -0.023 0.000 0.204 221 Q C -0.660 175.389 176.000 0.082 0.000 0.986 221 Q CA 2.626 58.451 55.803 0.037 0.000 0.843 221 Q CB -1.548 27.183 28.738 -0.013 0.000 0.904 221 Q HN 0.217 nan 8.270 nan 0.000 0.420 222 P HA -0.132 nan 4.420 nan 0.000 0.218 222 P C 0.796 178.152 177.300 0.094 0.000 1.149 222 P CA 1.139 64.287 63.100 0.080 0.000 0.817 222 P CB -0.013 31.735 31.700 0.081 0.000 0.785 223 L N -1.851 119.434 121.223 0.103 0.000 2.109 223 L HA -0.150 4.176 4.340 -0.023 0.000 0.207 223 L C 2.712 179.625 176.870 0.073 0.000 1.086 223 L CA 1.166 56.050 54.840 0.074 0.000 0.760 223 L CB -1.162 40.933 42.059 0.060 0.000 0.910 223 L HN 0.140 nan 8.230 nan 0.000 0.437 224 H N 0.833 119.907 119.070 0.006 0.000 2.353 224 H HA -0.166 4.376 4.556 -0.023 0.000 0.300 224 H C 1.558 176.896 175.328 0.017 0.000 1.090 224 H CA 1.797 57.846 56.048 0.002 0.000 1.327 224 H CB 0.192 29.944 29.762 -0.017 0.000 1.383 224 H HN 0.334 nan 8.280 nan 0.000 0.508 225 D N 0.560 121.078 120.400 0.197 0.000 2.117 225 D HA -0.106 4.520 4.640 -0.023 0.000 0.197 225 D C 2.249 178.598 176.300 0.081 0.000 0.987 225 D CA 1.233 55.315 54.000 0.136 0.000 0.829 225 D CB -0.466 40.390 40.800 0.094 0.000 0.961 225 D HN 0.452 nan 8.370 nan 0.000 0.460 226 A N 0.865 123.724 122.820 0.064 0.000 1.933 226 A HA -0.115 4.192 4.320 -0.023 0.000 0.218 226 A C 2.409 180.029 177.584 0.060 0.000 1.175 226 A CA 0.869 52.938 52.037 0.054 0.000 0.628 226 A CB -0.751 18.267 19.000 0.029 0.000 0.814 226 A HN 0.197 nan 8.150 nan 0.000 0.444 227 L N -0.651 120.578 121.223 0.010 0.000 2.141 227 L HA -0.156 4.170 4.340 -0.023 0.000 0.209 227 L C 1.969 178.873 176.870 0.058 0.000 1.094 227 L CA 1.160 56.012 54.840 0.019 0.000 0.763 227 L CB -0.593 41.411 42.059 -0.092 0.000 0.908 227 L HN 0.318 nan 8.230 nan 0.000 0.437 228 D N 0.257 120.660 120.400 0.005 0.000 2.097 228 D HA -0.204 4.422 4.640 -0.023 0.000 0.197 228 D C 2.101 178.441 176.300 0.066 0.000 0.984 228 D CA 1.200 55.217 54.000 0.028 0.000 0.826 228 D CB 0.044 40.876 40.800 0.053 0.000 0.973 228 D HN 0.207 nan 8.370 nan 0.000 0.460 229 K N -0.322 120.130 120.400 0.086 0.000 2.097 229 K HA -0.146 4.161 4.320 -0.023 0.000 0.205 229 K C 2.076 178.750 176.600 0.123 0.000 1.050 229 K CA 0.607 56.948 56.287 0.089 0.000 0.938 229 K CB -0.232 32.322 32.500 0.089 0.000 0.718 229 K HN -0.020 nan 8.250 nan 0.000 0.442 230 F N 2.080 122.030 119.950 -0.001 0.000 2.134 230 F HA -0.179 4.334 4.527 -0.023 0.000 0.299 230 F C 2.438 178.240 175.800 0.005 0.000 1.097 230 F CA 1.862 59.864 58.000 0.002 0.000 1.264 230 F CB -0.341 38.658 39.000 -0.001 0.000 1.001 230 F HN 0.168 nan 8.300 nan 0.000 0.479 231 Q N -0.100 119.722 119.800 0.036 0.000 2.119 231 Q HA -0.134 4.192 4.340 -0.023 0.000 0.201 231 Q C 2.230 178.178 176.000 -0.086 0.000 0.972 231 Q CA 1.358 57.124 55.803 -0.060 0.000 0.847 231 Q CB -0.300 28.449 28.738 0.018 0.000 0.903 231 Q HN 0.454 nan 8.270 nan 0.000 0.433 232 A N 0.779 123.576 122.820 -0.039 0.000 1.930 232 A HA -0.172 4.134 4.320 -0.023 0.000 0.217 232 A C 1.498 179.044 177.584 -0.063 0.000 1.175 232 A CA 1.682 53.699 52.037 -0.034 0.000 0.627 232 A CB -0.276 18.723 19.000 -0.003 0.000 0.815 232 A HN 0.440 nan 8.150 nan 0.000 0.443 233 D N -1.225 119.120 120.400 -0.092 0.000 2.271 233 D HA -0.033 4.593 4.640 -0.023 0.000 0.206 233 D C 1.870 178.060 176.300 -0.184 0.000 0.967 233 D CA 1.871 55.806 54.000 -0.107 0.000 0.867 233 D CB -0.046 40.715 40.800 -0.065 0.000 0.960 233 D HN 0.628 nan 8.370 nan 0.000 0.509 234 T N -4.596 109.762 114.554 -0.327 0.000 2.958 234 T HA 0.387 4.723 4.350 -0.023 0.000 0.256 234 T C 1.652 176.200 174.700 -0.253 0.000 0.983 234 T CA 0.702 62.586 62.100 -0.360 0.000 0.924 234 T CB 1.150 69.598 68.868 -0.701 0.000 1.136 234 T HN 0.132 nan 8.240 nan 0.000 0.506 235 G N 1.884 110.559 108.800 -0.209 0.000 2.199 235 G HA2 -0.199 3.747 3.960 -0.023 0.000 0.254 235 G HA3 -0.199 3.747 3.960 -0.023 0.000 0.254 235 G C 0.017 174.862 174.900 -0.092 0.000 0.982 235 G CA 0.065 45.096 45.100 -0.115 0.000 0.632 235 G HN 0.677 nan 8.290 nan 0.000 0.529 236 I N 1.745 122.222 120.570 -0.156 0.000 2.396 236 I HA 0.280 4.436 4.170 -0.023 0.000 0.289 236 I C -0.231 175.935 176.117 0.081 0.000 1.056 236 I CA -0.432 60.859 61.300 -0.016 0.000 1.365 236 I CB 1.078 39.097 38.000 0.033 0.000 1.407 236 I HN -0.001 nan 8.210 nan 0.000 0.509 237 D N 8.552 129.014 120.400 0.104 0.000 2.428 237 D HA 0.415 5.041 4.640 -0.023 0.000 0.221 237 D C -0.536 175.851 176.300 0.146 0.000 1.123 237 D CA -0.196 53.868 54.000 0.108 0.000 0.869 237 D CB 0.595 41.440 40.800 0.076 0.000 1.032 237 D HN 0.296 nan 8.370 nan 0.000 0.506 238 I N 3.183 123.839 120.570 0.145 0.000 2.404 238 I HA 0.264 4.420 4.170 -0.023 0.000 0.293 238 I C 0.349 176.502 176.117 0.061 0.000 0.992 238 I CA -0.857 60.516 61.300 0.121 0.000 1.149 238 I CB 1.667 39.731 38.000 0.105 0.000 1.315 238 I HN 0.168 nan 8.210 nan 0.000 0.446 239 D N 6.095 126.542 120.400 0.079 0.000 2.440 239 D HA 0.629 5.255 4.640 -0.023 0.000 0.258 239 D C -0.429 175.898 176.300 0.044 0.000 1.092 239 D CA -0.357 53.682 54.000 0.065 0.000 1.016 239 D CB 1.749 42.621 40.800 0.121 0.000 1.141 239 D HN 0.291 nan 8.370 nan 0.000 0.552 240 M N -0.108 119.520 119.600 0.046 0.000 2.602 240 M HA 0.325 4.791 4.480 -0.023 0.000 0.312 240 M C -0.858 175.471 176.300 0.049 0.000 1.181 240 M CA -0.776 54.533 55.300 0.016 0.000 0.910 240 M CB 2.578 35.166 32.600 -0.020 0.000 1.723 240 M HN 0.314 nan 8.290 nan 0.000 0.459 241 H N 1.832 120.857 119.070 -0.074 0.000 2.658 241 H HA 0.523 5.065 4.556 -0.023 0.000 0.337 241 H C -1.650 173.606 175.328 -0.120 0.000 1.009 241 H CA -0.654 55.351 56.048 -0.071 0.000 1.231 241 H CB 1.042 30.787 29.762 -0.027 0.000 1.508 241 H HN 0.535 nan 8.280 nan 0.000 0.517 242 I N 4.254 124.439 120.570 -0.641 0.000 2.325 242 I HA 0.083 4.240 4.170 -0.023 0.000 0.291 242 I C 0.278 176.166 176.117 -0.381 0.000 1.019 242 I CA -0.404 60.645 61.300 -0.418 0.000 1.302 242 I CB 0.860 38.640 38.000 -0.367 0.000 1.401 242 I HN 0.743 nan 8.210 nan 0.000 0.485 243 D N 6.670 127.039 120.400 -0.052 0.000 2.453 243 D HA 0.297 4.924 4.640 -0.023 0.000 0.223 243 D C 0.392 176.731 176.300 0.065 0.000 1.183 243 D CA -0.178 53.919 54.000 0.162 0.000 0.933 243 D CB 0.785 41.809 40.800 0.372 0.000 1.038 243 D HN 0.609 nan 8.370 nan 0.000 0.513 244 A N 3.344 126.146 122.820 -0.030 0.000 2.833 244 A HA 0.509 4.815 4.320 -0.023 0.000 0.293 244 A C 1.789 179.415 177.584 0.070 0.000 1.338 244 A CA 0.274 52.277 52.037 -0.057 0.000 0.959 244 A CB -0.125 18.683 19.000 -0.320 0.000 1.094 244 A HN 0.548 nan 8.150 nan 0.000 0.569 245 A N 0.732 123.643 122.820 0.152 0.000 1.915 245 A HA -0.250 4.057 4.320 -0.023 0.000 0.220 245 A C 2.491 180.284 177.584 0.349 0.000 1.198 245 A CA 2.874 55.051 52.037 0.233 0.000 0.647 245 A CB -0.679 18.424 19.000 0.171 0.000 0.825 245 A HN 1.156 nan 8.150 nan 0.000 0.456 246 S N -1.986 113.909 115.700 0.325 0.000 2.438 246 S HA 0.254 4.710 4.470 -0.023 0.000 0.220 246 S C 2.150 176.932 174.600 0.303 0.000 1.045 246 S CA 0.975 59.468 58.200 0.489 0.000 0.940 246 S CB -1.201 62.316 63.200 0.527 0.000 0.863 246 S HN 0.794 nan 8.310 nan 0.000 0.539 247 G N 1.588 110.421 108.800 0.056 0.000 2.485 247 G HA2 0.008 3.954 3.960 -0.023 0.000 0.221 247 G HA3 0.008 3.954 3.960 -0.023 0.000 0.221 247 G C 1.418 176.195 174.900 -0.206 0.000 1.115 247 G CA 0.779 45.758 45.100 -0.201 0.000 0.751 247 G HN 0.699 nan 8.290 nan 0.000 0.567 248 G N -0.010 108.700 108.800 -0.150 0.000 2.485 248 G HA2 -0.116 3.830 3.960 -0.023 0.000 0.221 248 G HA3 -0.116 3.830 3.960 -0.023 0.000 0.221 248 G C 0.973 175.902 174.900 0.048 0.000 1.115 248 G CA 0.460 45.459 45.100 -0.169 0.000 0.751 248 G HN 0.395 nan 8.290 nan 0.000 0.567 249 F N -0.513 119.715 119.950 0.464 0.000 2.735 249 F HA 0.506 5.021 4.527 -0.021 0.000 0.304 249 F C 1.392 177.560 175.800 0.614 0.000 1.119 249 F CA -0.363 57.988 58.000 0.585 0.000 1.280 249 F CB 0.497 39.912 39.000 0.691 0.000 0.994 249 F HN -0.015 nan 8.300 nan 0.000 0.520 250 L N -1.341 120.159 121.223 0.462 0.000 2.738 250 L HA 0.305 4.632 4.340 -0.023 0.000 0.175 250 L C 2.466 179.526 176.870 0.316 0.000 1.125 250 L CA 0.778 55.860 54.840 0.404 0.000 0.857 250 L CB -0.912 41.242 42.059 0.158 0.000 1.300 250 L HN -0.008 nan 8.230 nan 0.000 0.499 251 A N 1.035 123.940 122.820 0.142 0.000 1.927 251 A HA -0.154 4.152 4.320 -0.023 0.000 0.220 251 A C -0.400 177.285 177.584 0.170 0.000 1.185 251 A CA 2.163 54.273 52.037 0.122 0.000 0.639 251 A CB -1.929 17.044 19.000 -0.044 0.000 0.820 251 A HN 0.272 nan 8.150 nan 0.000 0.451 252 P HA -0.114 nan 4.420 nan 0.000 0.219 252 P C 0.755 177.938 177.300 -0.196 0.000 1.146 252 P CA 1.086 64.124 63.100 -0.102 0.000 0.808 252 P CB -0.102 31.365 31.700 -0.388 0.000 0.779 253 F N -1.575 118.507 119.950 0.221 0.000 2.374 253 F HA 0.021 4.535 4.527 -0.022 0.000 0.291 253 F C 2.032 177.926 175.800 0.157 0.000 1.084 253 F CA 0.649 58.763 58.000 0.190 0.000 1.413 253 F CB -1.172 37.977 39.000 0.248 0.000 1.099 253 F HN -0.232 nan 8.300 nan 0.000 0.534 254 V N -3.311 116.794 119.914 0.318 0.000 3.661 254 V HA 0.650 4.756 4.120 -0.023 0.000 0.271 254 V C 0.659 176.803 176.094 0.083 0.000 1.315 254 V CA 0.477 62.877 62.300 0.167 0.000 1.072 254 V CB -0.135 31.746 31.823 0.096 0.000 0.830 254 V HN 0.111 nan 8.190 nan 0.000 0.443 255 A N 0.450 123.343 122.820 0.122 0.000 3.453 255 A HA 0.678 4.984 4.320 -0.023 0.000 0.262 255 A C -1.637 176.035 177.584 0.147 0.000 1.026 255 A CA -0.572 51.532 52.037 0.112 0.000 0.938 255 A CB 0.338 19.413 19.000 0.126 0.000 1.246 255 A HN 0.324 nan 8.150 nan 0.000 0.546 256 P HA -0.170 nan 4.420 nan 0.000 0.217 256 P C 0.568 177.929 177.300 0.102 0.000 1.148 256 P CA 1.388 64.566 63.100 0.130 0.000 0.828 256 P CB 0.272 32.034 31.700 0.103 0.000 0.783 257 D N -1.032 119.414 120.400 0.077 0.000 2.347 257 D HA 0.019 4.645 4.640 -0.023 0.000 0.215 257 D C 0.859 177.189 176.300 0.050 0.000 0.976 257 D CA 0.329 54.351 54.000 0.037 0.000 0.884 257 D CB -0.270 40.542 40.800 0.019 0.000 0.915 257 D HN 0.249 nan 8.370 nan 0.000 0.526 258 I N 1.769 122.421 120.570 0.136 0.000 2.581 258 I HA -0.052 4.104 4.170 -0.023 0.000 0.285 258 I C 0.139 176.358 176.117 0.170 0.000 1.129 258 I CA -0.145 61.277 61.300 0.203 0.000 1.397 258 I CB 0.936 39.150 38.000 0.357 0.000 1.399 258 I HN -0.339 nan 8.210 nan 0.000 0.537 259 V N 8.250 128.182 119.914 0.031 0.000 2.338 259 V HA 0.066 4.173 4.120 -0.023 0.000 0.255 259 V C 0.579 176.589 176.094 -0.141 0.000 1.082 259 V CA -0.068 62.148 62.300 -0.139 0.000 0.951 259 V CB -0.110 31.610 31.823 -0.173 0.000 1.102 259 V HN 0.931 nan 8.190 nan 0.000 0.489 260 W N 3.410 124.453 121.300 -0.428 0.000 2.413 260 W HA 0.252 4.898 4.660 -0.023 0.000 0.288 260 W C 0.034 176.146 176.519 -0.678 0.000 0.958 260 W CA 0.196 57.149 57.345 -0.653 0.000 1.333 260 W CB -0.138 28.535 29.460 -1.313 0.000 1.002 260 W HN 0.621 nan 8.180 nan 0.000 0.562 261 D N 0.948 120.420 120.400 -1.546 0.000 2.390 261 D HA 0.146 4.772 4.640 -0.023 0.000 0.279 261 D C 0.876 176.675 176.300 -0.834 0.000 1.193 261 D CA -0.368 52.696 54.000 -1.559 0.000 1.112 261 D CB -0.601 39.105 40.800 -1.824 0.000 1.182 261 D HN -0.233 nan 8.370 nan 0.000 0.569 262 F N -0.421 119.257 119.950 -0.453 0.000 2.722 262 F HA 0.139 4.652 4.527 -0.023 0.000 0.298 262 F C 2.265 177.934 175.800 -0.219 0.000 1.175 262 F CA 0.333 58.192 58.000 -0.235 0.000 1.462 262 F CB -0.520 38.416 39.000 -0.108 0.000 1.111 262 F HN 0.039 nan 8.300 nan 0.000 0.592 263 R N -0.145 120.239 120.500 -0.195 0.000 2.237 263 R HA -0.002 4.324 4.340 -0.023 0.000 0.219 263 R C 0.254 176.424 176.300 -0.217 0.000 1.080 263 R CA 0.478 56.443 56.100 -0.226 0.000 0.995 263 R CB -0.177 29.896 30.300 -0.377 0.000 0.875 263 R HN 0.220 nan 8.270 nan 0.000 0.462 264 L N 1.253 122.329 121.223 -0.246 0.000 2.257 264 L HA 0.221 4.547 4.340 -0.023 0.000 0.290 264 L C -1.701 175.143 176.870 -0.042 0.000 1.044 264 L CA -2.114 52.538 54.840 -0.313 0.000 0.810 264 L CB 1.457 43.291 42.059 -0.374 0.000 1.193 264 L HN -0.210 nan 8.230 nan 0.000 0.425 265 P HA -0.191 nan 4.420 nan 0.000 0.216 265 P C 1.185 178.638 177.300 0.254 0.000 1.157 265 P CA 1.547 64.764 63.100 0.194 0.000 0.880 265 P CB 0.140 31.962 31.700 0.204 0.000 0.791 266 R N -1.028 119.718 120.500 0.410 0.000 2.280 266 R HA 0.033 4.359 4.340 -0.023 0.000 0.207 266 R C 0.116 176.501 176.300 0.142 0.000 1.043 266 R CA 0.212 56.400 56.100 0.148 0.000 1.006 266 R CB -0.456 29.758 30.300 -0.144 0.000 0.885 266 R HN 0.100 nan 8.270 nan 0.000 0.467 267 V N 2.275 122.283 119.914 0.156 0.000 2.397 267 V HA 0.006 4.113 4.120 -0.023 0.000 0.262 267 V C 0.685 176.923 176.094 0.240 0.000 1.047 267 V CA 0.472 62.820 62.300 0.080 0.000 1.003 267 V CB 1.082 32.836 31.823 -0.116 0.000 1.037 267 V HN 0.037 nan 8.190 nan 0.000 0.480 268 K N 2.524 123.068 120.400 0.241 0.000 2.323 268 K HA 0.157 4.463 4.320 -0.023 0.000 0.197 268 K C 0.654 177.517 176.600 0.438 0.000 1.043 268 K CA 0.407 56.900 56.287 0.343 0.000 0.997 268 K CB 0.390 33.078 32.500 0.313 0.000 0.807 268 K HN 0.832 nan 8.250 nan 0.000 0.497 269 S N -1.026 114.840 115.700 0.277 0.000 2.565 269 S HA 0.665 5.122 4.470 -0.023 0.000 0.269 269 S C -0.884 173.541 174.600 -0.290 0.000 1.153 269 S CA -1.088 57.156 58.200 0.073 0.000 0.835 269 S CB 1.425 64.513 63.200 -0.188 0.000 1.122 269 S HN -0.041 nan 8.310 nan 0.000 0.462 270 I N 1.604 121.968 120.570 -0.344 0.000 2.722 270 I HA 0.606 4.763 4.170 -0.023 0.000 0.295 270 I C -0.649 175.328 176.117 -0.234 0.000 1.161 270 I CA -0.628 60.304 61.300 -0.614 0.000 1.032 270 I CB 2.693 40.157 38.000 -0.894 0.000 1.244 270 I HN 0.947 nan 8.210 nan 0.000 0.421 271 S N 3.529 119.107 115.700 -0.204 0.000 2.568 271 S HA 0.997 5.453 4.470 -0.023 0.000 0.293 271 S C -0.786 173.909 174.600 0.158 0.000 1.089 271 S CA -0.709 57.584 58.200 0.155 0.000 0.945 271 S CB 2.680 66.038 63.200 0.263 0.000 1.077 271 S HN 0.976 nan 8.310 nan 0.000 0.485 272 A N 0.903 123.960 122.820 0.394 0.000 2.612 272 A HA 0.786 5.092 4.320 -0.023 0.000 0.293 272 A C -0.804 177.081 177.584 0.502 0.000 1.075 272 A CA -0.859 51.442 52.037 0.440 0.000 0.680 272 A CB 1.182 20.503 19.000 0.534 0.000 1.279 272 A HN 0.851 nan 8.150 nan 0.000 0.411 273 S N 0.576 116.548 115.700 0.453 0.000 2.410 273 S HA 0.437 4.893 4.470 -0.023 0.000 0.304 273 S C 1.384 176.193 174.600 0.348 0.000 1.095 273 S CA 0.094 58.427 58.200 0.221 0.000 1.089 273 S CB 1.250 64.560 63.200 0.184 0.000 0.968 273 S HN 1.272 nan 8.310 nan 0.000 0.480 274 G N 2.021 110.936 108.800 0.193 0.000 2.422 274 G HA2 -0.192 3.754 3.960 -0.023 0.000 0.218 274 G HA3 -0.192 3.754 3.960 -0.023 0.000 0.218 274 G C 1.014 175.947 174.900 0.056 0.000 1.140 274 G CA 0.392 45.589 45.100 0.162 0.000 0.775 274 G HN 0.940 nan 8.290 nan 0.000 0.545 275 H N -0.617 118.495 119.070 0.071 0.000 2.556 275 H HA 0.342 4.884 4.556 -0.024 0.000 0.268 275 H C 1.451 176.787 175.328 0.013 0.000 0.996 275 H CA 0.161 56.218 56.048 0.015 0.000 1.157 275 H CB 0.247 29.993 29.762 -0.026 0.000 1.355 275 H HN 0.255 nan 8.280 nan 0.000 0.597 276 K N 0.574 121.147 120.400 0.288 0.000 4.183 276 K HA 0.142 4.448 4.320 -0.023 0.000 0.171 276 K C 0.718 177.299 176.600 -0.031 0.000 1.146 276 K CA -0.360 55.996 56.287 0.116 0.000 1.795 276 K CB 0.015 32.674 32.500 0.265 0.000 2.483 276 K HN 0.035 nan 8.250 nan 0.000 0.523 277 F N 1.319 121.466 119.950 0.329 0.000 2.802 277 F HA 0.073 4.587 4.527 -0.022 0.000 0.300 277 F C 1.817 177.822 175.800 0.341 0.000 1.168 277 F CA 0.365 58.559 58.000 0.323 0.000 1.433 277 F CB -0.250 38.970 39.000 0.366 0.000 1.115 277 F HN 0.439 nan 8.300 nan 0.000 0.582 278 G N -0.497 108.444 108.800 0.234 0.000 2.744 278 G HA2 0.023 3.970 3.960 -0.023 0.000 0.211 278 G HA3 0.023 3.970 3.960 -0.023 0.000 0.211 278 G C 1.114 176.074 174.900 0.099 0.000 1.143 278 G CA 0.123 45.058 45.100 -0.275 0.000 0.788 278 G HN 0.449 nan 8.290 nan 0.000 0.534 279 L N -1.986 119.307 121.223 0.116 0.000 4.496 279 L HA -0.200 4.126 4.340 -0.023 0.000 0.419 279 L C 1.076 177.981 176.870 0.058 0.000 1.139 279 L CA -0.017 54.865 54.840 0.070 0.000 0.975 279 L CB -2.288 39.755 42.059 -0.026 0.000 2.099 279 L HN 0.393 nan 8.230 nan 0.000 0.818 280 A N 0.204 123.058 122.820 0.056 0.000 2.282 280 A HA 0.835 5.141 4.320 -0.023 0.000 0.319 280 A C -1.971 175.640 177.584 0.045 0.000 1.121 280 A CA -1.189 50.872 52.037 0.041 0.000 0.836 280 A CB 0.598 19.620 19.000 0.036 0.000 1.146 280 A HN 0.061 nan 8.150 nan 0.000 0.494 281 P HA 0.194 nan 4.420 nan 0.000 0.274 281 P C -0.380 176.927 177.300 0.013 0.000 1.237 281 P CA -0.253 62.825 63.100 -0.037 0.000 0.793 281 P CB 0.470 32.102 31.700 -0.114 0.000 0.977 282 L N 1.193 122.396 121.223 -0.035 0.000 2.678 282 L HA 0.063 4.389 4.340 -0.023 0.000 0.285 282 L C 1.560 178.445 176.870 0.025 0.000 1.233 282 L CA 1.576 56.372 54.840 -0.074 0.000 0.920 282 L CB -1.093 40.862 42.059 -0.175 0.000 1.176 282 L HN 0.913 nan 8.230 nan 0.000 0.495 283 G N 2.208 111.157 108.800 0.249 0.000 2.186 283 G HA2 -0.159 3.788 3.960 -0.023 0.000 0.130 283 G HA3 -0.159 3.788 3.960 -0.023 0.000 0.130 283 G C -0.519 174.334 174.900 -0.078 0.000 1.031 283 G CA -0.322 44.813 45.100 0.059 0.000 0.697 283 G HN 0.756 nan 8.290 nan 0.000 0.494 284 C N 0.549 119.786 119.300 -0.105 0.000 2.607 284 C HA 0.903 5.349 4.460 -0.023 0.000 0.350 284 C C 0.545 175.149 174.990 -0.642 0.000 1.101 284 C CA 0.681 59.450 59.018 -0.414 0.000 1.282 284 C CB 0.645 28.228 27.740 -0.261 0.000 1.825 284 C HN 1.482 nan 8.230 nan 0.000 0.460 285 G N 3.388 111.767 108.800 -0.703 0.000 2.680 285 G HA2 0.820 4.767 3.960 -0.023 0.000 0.290 285 G HA3 0.820 4.767 3.960 -0.023 0.000 0.290 285 G C -2.118 172.393 174.900 -0.648 0.000 1.355 285 G CA -0.562 44.239 45.100 -0.498 0.000 0.903 285 G HN 0.739 nan 8.290 nan 0.000 0.474 286 W N -0.719 120.671 121.300 0.151 0.000 3.127 286 W HA 0.609 5.254 4.660 -0.025 0.000 0.330 286 W C -0.906 175.747 176.519 0.223 0.000 1.187 286 W CA -0.910 56.558 57.345 0.205 0.000 1.198 286 W CB 2.587 32.222 29.460 0.292 0.000 1.408 286 W HN 0.424 nan 8.180 nan 0.000 0.529 287 V N 5.441 125.606 119.914 0.419 0.000 2.668 287 V HA 0.634 4.740 4.120 -0.023 0.000 0.304 287 V C -1.430 174.752 176.094 0.146 0.000 1.071 287 V CA -0.792 61.617 62.300 0.182 0.000 0.894 287 V CB 1.221 32.990 31.823 -0.090 0.000 1.008 287 V HN 0.429 nan 8.190 nan 0.000 0.425 288 I N 6.068 126.736 120.570 0.163 0.000 2.569 288 I HA 0.522 4.678 4.170 -0.023 0.000 0.296 288 I C -0.559 175.663 176.117 0.176 0.000 1.028 288 I CA -0.586 60.889 61.300 0.291 0.000 1.082 288 I CB 2.071 40.388 38.000 0.529 0.000 1.264 288 I HN 0.603 nan 8.210 nan 0.000 0.429 289 W N 4.590 126.077 121.300 0.312 0.000 2.570 289 W HA 0.318 4.964 4.660 -0.023 0.000 0.337 289 W C 1.378 177.816 176.519 -0.136 0.000 1.067 289 W CA -0.570 56.902 57.345 0.212 0.000 1.229 289 W CB 1.940 31.501 29.460 0.168 0.000 1.355 289 W HN 0.652 nan 8.180 nan 0.000 0.555 290 R N 0.525 120.975 120.500 -0.084 0.000 2.120 290 R HA -0.148 4.178 4.340 -0.023 0.000 0.234 290 R C -0.308 175.862 176.300 -0.217 0.000 1.123 290 R CA 2.014 57.789 56.100 -0.541 0.000 0.975 290 R CB -0.105 30.041 30.300 -0.257 0.000 0.866 290 R HN 0.458 nan 8.270 nan 0.000 0.446 291 D N -2.469 117.928 120.400 -0.004 0.000 2.713 291 D HA 0.045 4.671 4.640 -0.023 0.000 0.306 291 D C -0.243 176.083 176.300 0.044 0.000 1.299 291 D CA -0.811 53.193 54.000 0.007 0.000 0.823 291 D CB 0.303 41.096 40.800 -0.011 0.000 1.353 291 D HN -0.020 nan 8.370 nan 0.000 0.447 292 E N -0.670 119.536 120.200 0.009 0.000 2.118 292 E HA -0.197 4.139 4.350 -0.023 0.000 0.195 292 E C 1.242 177.823 176.600 -0.032 0.000 0.992 292 E CA 0.912 57.299 56.400 -0.022 0.000 0.804 292 E CB 0.098 29.782 29.700 -0.027 0.000 0.741 292 E HN 0.412 nan 8.360 nan 0.000 0.458 293 E N 0.472 120.672 120.200 0.001 0.000 2.160 293 E HA -0.170 4.167 4.350 -0.023 0.000 0.195 293 E C 1.841 178.464 176.600 0.038 0.000 0.991 293 E CA 0.991 57.400 56.400 0.015 0.000 0.810 293 E CB -0.035 29.684 29.700 0.030 0.000 0.742 293 E HN 0.224 nan 8.360 nan 0.000 0.466 294 A N 0.274 123.144 122.820 0.083 0.000 2.168 294 A HA -0.043 4.263 4.320 -0.023 0.000 0.215 294 A C 1.102 178.719 177.584 0.054 0.000 1.152 294 A CA 0.138 52.284 52.037 0.180 0.000 0.716 294 A CB 0.033 19.254 19.000 0.368 0.000 0.794 294 A HN 0.149 nan 8.150 nan 0.000 0.465 295 L N 0.738 121.838 121.223 -0.205 0.000 2.318 295 L HA 0.520 4.847 4.340 -0.023 0.000 0.277 295 L C -2.915 173.738 176.870 -0.363 0.000 1.008 295 L CA -2.582 51.932 54.840 -0.544 0.000 0.846 295 L CB 1.218 42.692 42.059 -0.974 0.000 1.220 295 L HN -0.166 nan 8.230 nan 0.000 0.423 296 P HA 0.050 nan 4.420 nan 0.000 0.260 296 P C 0.227 177.332 177.300 -0.324 0.000 1.185 296 P CA 0.043 63.019 63.100 -0.207 0.000 0.763 296 P CB 0.522 32.154 31.700 -0.113 0.000 0.776 297 Q N 2.451 122.116 119.800 -0.225 0.000 2.181 297 Q HA -0.211 4.116 4.340 -0.023 0.000 0.205 297 Q C 1.242 177.075 176.000 -0.279 0.000 0.980 297 Q CA 1.738 57.399 55.803 -0.236 0.000 0.862 297 Q CB -0.136 28.511 28.738 -0.152 0.000 0.905 297 Q HN 0.569 nan 8.270 nan 0.000 0.429 298 E N 0.140 120.196 120.200 -0.241 0.000 2.265 298 E HA -0.115 4.221 4.350 -0.023 0.000 0.196 298 E C 1.643 178.015 176.600 -0.381 0.000 0.996 298 E CA 0.608 56.866 56.400 -0.236 0.000 0.832 298 E CB -0.079 29.590 29.700 -0.052 0.000 0.756 298 E HN 0.303 nan 8.360 nan 0.000 0.491 299 L N -0.131 120.754 121.223 -0.564 0.000 2.529 299 L HA 0.112 4.438 4.340 -0.023 0.000 0.223 299 L C 0.043 176.609 176.870 -0.506 0.000 1.113 299 L CA -0.190 54.237 54.840 -0.688 0.000 0.861 299 L CB 0.502 41.814 42.059 -1.245 0.000 1.012 299 L HN -0.078 nan 8.230 nan 0.000 0.461 300 V N 0.177 119.840 119.914 -0.418 0.000 2.439 300 V HA 0.237 4.343 4.120 -0.023 0.000 0.282 300 V C -0.515 175.528 176.094 -0.084 0.000 1.039 300 V CA -0.337 61.860 62.300 -0.172 0.000 0.913 300 V CB 1.293 32.986 31.823 -0.217 0.000 0.983 300 V HN -0.076 nan 8.190 nan 0.000 0.460 301 F N 3.608 123.551 119.950 -0.012 0.000 2.402 301 F HA 0.475 4.988 4.527 -0.023 0.000 0.355 301 F C 0.640 176.459 175.800 0.032 0.000 1.123 301 F CA -0.867 57.149 58.000 0.026 0.000 1.021 301 F CB 1.024 40.072 39.000 0.081 0.000 1.160 301 F HN 0.420 nan 8.300 nan 0.000 0.451 302 N N 2.402 121.168 118.700 0.110 0.000 2.530 302 N HA 0.503 5.229 4.740 -0.023 0.000 0.277 302 N C -0.723 174.853 175.510 0.110 0.000 1.168 302 N CA -0.156 52.944 53.050 0.083 0.000 0.979 302 N CB 1.937 40.442 38.487 0.030 0.000 1.141 302 N HN 0.390 nan 8.380 nan 0.000 0.459 303 V N -1.649 118.318 119.914 0.089 0.000 2.925 303 V HA 0.473 4.579 4.120 -0.023 0.000 0.311 303 V C -0.501 175.648 176.094 0.092 0.000 1.104 303 V CA -1.182 61.173 62.300 0.092 0.000 0.954 303 V CB 2.001 33.870 31.823 0.077 0.000 1.022 303 V HN 0.336 nan 8.190 nan 0.000 0.427 304 D N 2.422 122.879 120.400 0.094 0.000 2.472 304 D HA 0.343 4.970 4.640 -0.023 0.000 0.237 304 D C -0.912 175.494 176.300 0.177 0.000 1.141 304 D CA 1.057 55.118 54.000 0.101 0.000 0.875 304 D CB 0.552 41.395 40.800 0.070 0.000 1.192 304 D HN 0.821 nan 8.370 nan 0.000 0.450 305 Y N 1.914 122.209 120.300 -0.009 0.000 2.287 305 Y HA 0.187 4.722 4.550 -0.024 0.000 0.321 305 Y C -0.440 175.449 175.900 -0.018 0.000 1.173 305 Y CA -0.950 57.138 58.100 -0.020 0.000 1.124 305 Y CB 0.380 38.823 38.460 -0.028 0.000 1.201 305 Y HN 0.420 nan 8.280 nan 0.000 0.421 306 L N 6.549 127.517 121.223 -0.425 0.000 3.795 306 L HA -0.325 4.002 4.340 -0.023 0.000 0.489 306 L C 1.237 177.984 176.870 -0.206 0.000 1.259 306 L CA 1.385 55.983 54.840 -0.403 0.000 0.765 306 L CB -1.409 40.243 42.059 -0.678 0.000 1.519 306 L HN 1.219 nan 8.230 nan 0.000 0.842 307 G N -1.805 106.928 108.800 -0.110 0.000 2.245 307 G HA2 -0.234 3.713 3.960 -0.023 0.000 0.264 307 G HA3 -0.234 3.713 3.960 -0.023 0.000 0.264 307 G C 0.595 175.475 174.900 -0.033 0.000 0.985 307 G CA 0.165 45.228 45.100 -0.062 0.000 0.625 307 G HN 1.143 nan 8.290 nan 0.000 0.536 308 G N -1.455 107.328 108.800 -0.027 0.000 3.212 308 G HA2 0.676 4.622 3.960 -0.023 0.000 0.188 308 G HA3 0.676 4.622 3.960 -0.023 0.000 0.188 308 G C -0.687 174.250 174.900 0.062 0.000 1.254 308 G CA -0.101 45.009 45.100 0.017 0.000 0.957 308 G HN 0.501 nan 8.290 nan 0.000 0.596 309 Q N -0.823 119.027 119.800 0.083 0.000 2.315 309 Q HA 0.478 4.804 4.340 -0.023 0.000 0.273 309 Q C -1.834 174.227 176.000 0.101 0.000 1.053 309 Q CA -0.639 55.221 55.803 0.096 0.000 0.817 309 Q CB 3.076 31.848 28.738 0.056 0.000 1.326 309 Q HN 0.410 nan 8.270 nan 0.000 0.423 310 I N 0.532 121.156 120.570 0.089 0.000 2.474 310 I HA 0.557 4.713 4.170 -0.023 0.000 0.294 310 I C -0.247 175.881 176.117 0.017 0.000 1.005 310 I CA -0.144 61.174 61.300 0.030 0.000 1.113 310 I CB 1.780 39.723 38.000 -0.095 0.000 1.289 310 I HN 0.622 nan 8.210 nan 0.000 0.436 311 G N 4.503 113.317 108.800 0.023 0.000 2.390 311 G HA2 0.520 4.467 3.960 -0.023 0.000 0.270 311 G HA3 0.520 4.467 3.960 -0.023 0.000 0.270 311 G C -0.510 174.436 174.900 0.077 0.000 1.211 311 G CA -0.035 45.088 45.100 0.039 0.000 0.842 311 G HN 0.767 nan 8.290 nan 0.000 0.519 312 T N -0.985 113.652 114.554 0.137 0.000 2.863 312 T HA 0.666 5.003 4.350 -0.023 0.000 0.285 312 T C -1.342 173.566 174.700 0.347 0.000 1.009 312 T CA -0.860 61.364 62.100 0.208 0.000 0.989 312 T CB 1.886 70.854 68.868 0.168 0.000 1.004 312 T HN 0.442 nan 8.240 nan 0.000 0.455 313 F N 2.417 122.464 119.950 0.163 0.000 2.828 313 F HA 0.757 5.270 4.527 -0.023 0.000 0.355 313 F C -0.956 174.952 175.800 0.181 0.000 1.200 313 F CA -1.321 56.766 58.000 0.144 0.000 1.062 313 F CB 0.799 39.835 39.000 0.061 0.000 1.351 313 F HN 1.173 nan 8.300 nan 0.000 0.504 314 A N 5.730 128.655 122.820 0.174 0.000 2.606 314 A HA 0.677 4.984 4.320 -0.023 0.000 0.293 314 A C -0.365 177.230 177.584 0.019 0.000 1.082 314 A CA -0.569 51.480 52.037 0.021 0.000 0.685 314 A CB 1.034 20.121 19.000 0.145 0.000 1.284 314 A HN 0.576 nan 8.150 nan 0.000 0.408 315 I N 0.272 120.829 120.570 -0.022 0.000 2.628 315 I HA 0.016 4.172 4.170 -0.023 0.000 0.255 315 I C 0.663 176.811 176.117 0.051 0.000 1.119 315 I CA 0.260 61.580 61.300 0.033 0.000 1.448 315 I CB -0.034 37.991 38.000 0.042 0.000 1.133 315 I HN 0.566 nan 8.210 nan 0.000 0.438 316 N N 0.307 119.021 118.700 0.024 0.000 2.445 316 N HA 0.156 4.882 4.740 -0.023 0.000 0.264 316 N C -0.028 175.579 175.510 0.163 0.000 1.227 316 N CA -0.033 53.047 53.050 0.051 0.000 0.963 316 N CB 1.727 40.190 38.487 -0.040 0.000 1.188 316 N HN -0.052 nan 8.380 nan 0.000 0.491 317 F N 0.279 120.239 119.950 0.016 0.000 2.123 317 F HA 0.276 4.789 4.527 -0.022 0.000 0.207 317 F C 0.724 176.581 175.800 0.094 0.000 1.198 317 F CA -0.156 57.880 58.000 0.060 0.000 1.265 317 F CB -0.447 38.568 39.000 0.025 0.000 1.722 317 F HN 0.202 nan 8.300 nan 0.000 0.351 318 S N 2.205 118.005 115.700 0.166 0.000 2.549 318 S HA 0.475 4.931 4.470 -0.023 0.000 0.283 318 S C -0.675 173.943 174.600 0.030 0.000 1.320 318 S CA -0.280 57.952 58.200 0.053 0.000 1.058 318 S CB -0.029 63.249 63.200 0.131 0.000 0.882 318 S HN 0.491 nan 8.310 nan 0.000 0.498 319 R N 0.985 121.486 120.500 0.002 0.000 2.753 319 R HA 0.372 4.698 4.340 -0.023 0.000 0.272 319 R C -3.781 172.497 176.300 -0.037 0.000 1.034 319 R CA -1.904 54.173 56.100 -0.039 0.000 0.869 319 R CB -0.101 30.137 30.300 -0.104 0.000 1.264 319 R HN 0.241 nan 8.270 nan 0.000 0.481 320 P HA 0.047 nan 4.420 nan 0.000 0.266 320 P C -0.137 177.140 177.300 -0.039 0.000 1.195 320 P CA 0.204 63.262 63.100 -0.070 0.000 0.768 320 P CB 0.943 32.596 31.700 -0.077 0.000 0.838 321 A N 3.217 126.028 122.820 -0.016 0.000 2.267 321 A HA 0.204 4.510 4.320 -0.023 0.000 0.213 321 A C 2.162 179.766 177.584 0.033 0.000 1.192 321 A CA 0.970 53.053 52.037 0.078 0.000 0.851 321 A CB -1.047 17.982 19.000 0.047 0.000 0.881 321 A HN 0.597 nan 8.150 nan 0.000 0.494 322 G N 0.203 108.992 108.800 -0.019 0.000 2.469 322 G HA2 -0.295 3.652 3.960 -0.023 0.000 0.219 322 G HA3 -0.295 3.652 3.960 -0.023 0.000 0.219 322 G C 1.446 176.333 174.900 -0.022 0.000 1.150 322 G CA 1.329 46.413 45.100 -0.025 0.000 0.763 322 G HN 0.536 nan 8.290 nan 0.000 0.561 323 Q N -0.415 119.356 119.800 -0.049 0.000 2.124 323 Q HA 0.005 4.331 4.340 -0.023 0.000 0.202 323 Q C 2.654 178.647 176.000 -0.012 0.000 0.977 323 Q CA 1.214 56.985 55.803 -0.054 0.000 0.850 323 Q CB -0.603 28.072 28.738 -0.105 0.000 0.901 323 Q HN 0.355 nan 8.270 nan 0.000 0.429 324 V N -0.071 119.852 119.914 0.014 0.000 2.453 324 V HA -0.160 3.946 4.120 -0.023 0.000 0.247 324 V C 1.712 177.906 176.094 0.166 0.000 1.048 324 V CA 1.196 63.572 62.300 0.126 0.000 1.049 324 V CB -0.162 31.789 31.823 0.213 0.000 0.672 324 V HN 0.385 nan 8.190 nan 0.000 0.457 325 I N 0.555 121.204 120.570 0.130 0.000 2.252 325 I HA -0.166 3.990 4.170 -0.023 0.000 0.245 325 I C 2.705 178.925 176.117 0.172 0.000 1.102 325 I CA 1.474 62.868 61.300 0.156 0.000 1.385 325 I CB -0.612 37.450 38.000 0.103 0.000 1.064 325 I HN 0.383 nan 8.210 nan 0.000 0.414 326 A N 0.149 123.027 122.820 0.097 0.000 1.898 326 A HA -0.280 4.026 4.320 -0.023 0.000 0.216 326 A C 2.237 179.893 177.584 0.119 0.000 1.181 326 A CA 1.874 53.968 52.037 0.096 0.000 0.620 326 A CB -0.607 18.400 19.000 0.012 0.000 0.819 326 A HN 0.420 nan 8.150 nan 0.000 0.442 327 Q N -1.445 118.379 119.800 0.039 0.000 2.084 327 Q HA -0.223 4.103 4.340 -0.023 0.000 0.202 327 Q C 1.853 177.636 176.000 -0.362 0.000 0.978 327 Q CA 2.258 57.970 55.803 -0.151 0.000 0.844 327 Q CB -0.604 28.102 28.738 -0.054 0.000 0.898 327 Q HN 0.693 nan 8.270 nan 0.000 0.426 328 Y N -0.282 119.888 120.300 -0.216 0.000 2.224 328 Y HA -0.263 4.272 4.550 -0.024 0.000 0.289 328 Y C 2.016 177.944 175.900 0.048 0.000 1.146 328 Y CA 1.792 59.832 58.100 -0.100 0.000 1.182 328 Y CB -0.734 37.762 38.460 0.060 0.000 0.983 328 Y HN 0.389 nan 8.280 nan 0.000 0.524 329 Y N 1.054 121.335 120.300 -0.031 0.000 2.165 329 Y HA -0.211 4.330 4.550 -0.016 0.000 0.286 329 Y C 2.163 178.041 175.900 -0.037 0.000 1.155 329 Y CA 2.207 60.270 58.100 -0.062 0.000 1.164 329 Y CB -0.425 38.035 38.460 -0.000 0.000 0.978 329 Y HN 0.088 nan 8.280 nan 0.000 0.513 330 E N -0.021 120.073 120.200 -0.176 0.000 2.077 330 E HA -0.167 4.170 4.350 -0.023 0.000 0.193 330 E C 2.143 178.830 176.600 0.144 0.000 0.989 330 E CA 1.117 57.431 56.400 -0.143 0.000 0.800 330 E CB -0.676 29.061 29.700 0.062 0.000 0.746 330 E HN 0.452 nan 8.360 nan 0.000 0.452 331 F N 1.065 121.033 119.950 0.030 0.000 2.069 331 F HA -0.154 4.360 4.527 -0.021 0.000 0.298 331 F C 2.481 178.214 175.800 -0.111 0.000 1.113 331 F CA 0.797 58.805 58.000 0.013 0.000 1.214 331 F CB -1.179 37.798 39.000 -0.039 0.000 0.978 331 F HN -0.009 nan 8.300 nan 0.000 0.474 332 L N -0.855 120.319 121.223 -0.083 0.000 2.072 332 L HA -0.145 4.181 4.340 -0.023 0.000 0.205 332 L C 2.727 179.504 176.870 -0.155 0.000 1.079 332 L CA 1.073 55.806 54.840 -0.179 0.000 0.752 332 L CB -0.589 41.270 42.059 -0.333 0.000 0.906 332 L HN 0.038 nan 8.230 nan 0.000 0.436 333 R N 0.852 121.180 120.500 -0.287 0.000 2.090 333 R HA -0.091 4.235 4.340 -0.023 0.000 0.228 333 R C 2.030 178.238 176.300 -0.154 0.000 1.110 333 R CA 1.459 57.377 56.100 -0.305 0.000 0.973 333 R CB -0.120 29.751 30.300 -0.716 0.000 0.869 333 R HN 0.360 nan 8.270 nan 0.000 0.440 334 L N -0.835 120.335 121.223 -0.089 0.000 2.269 334 L HA 0.211 4.537 4.340 -0.023 0.000 0.200 334 L C 1.279 178.197 176.870 0.079 0.000 1.069 334 L CA 0.561 55.393 54.840 -0.013 0.000 0.804 334 L CB -0.512 41.499 42.059 -0.080 0.000 0.987 334 L HN 0.429 nan 8.230 nan 0.000 0.468 335 G N 0.251 109.142 108.800 0.152 0.000 2.804 335 G HA2 -0.316 3.630 3.960 -0.023 0.000 0.230 335 G HA3 -0.316 3.630 3.960 -0.023 0.000 0.230 335 G C 0.409 175.388 174.900 0.133 0.000 1.386 335 G CA 0.258 45.418 45.100 0.100 0.000 0.875 335 G HN 0.213 nan 8.290 nan 0.000 0.557 336 R N 0.042 120.611 120.500 0.115 0.000 2.091 336 R HA -0.088 4.238 4.340 -0.023 0.000 0.238 336 R C 2.600 178.979 176.300 0.132 0.000 1.136 336 R CA 1.875 58.095 56.100 0.200 0.000 0.959 336 R CB -0.296 30.137 30.300 0.222 0.000 0.856 336 R HN 0.751 nan 8.270 nan 0.000 0.437 337 E N 0.058 120.314 120.200 0.094 0.000 2.058 337 E HA -0.174 4.162 4.350 -0.023 0.000 0.194 337 E C 2.021 178.644 176.600 0.037 0.000 0.997 337 E CA 1.526 57.966 56.400 0.067 0.000 0.801 337 E CB -0.216 29.512 29.700 0.047 0.000 0.746 337 E HN 0.420 nan 8.360 nan 0.000 0.450 338 G N -0.395 108.421 108.800 0.026 0.000 2.421 338 G HA2 -0.270 3.676 3.960 -0.023 0.000 0.216 338 G HA3 -0.270 3.676 3.960 -0.023 0.000 0.216 338 G C 1.214 176.054 174.900 -0.100 0.000 1.171 338 G CA 0.970 46.053 45.100 -0.029 0.000 0.775 338 G HN 0.302 nan 8.290 nan 0.000 0.543 339 Y N 1.357 121.485 120.300 -0.286 0.000 2.224 339 Y HA -0.096 4.441 4.550 -0.022 0.000 0.289 339 Y C 3.356 179.049 175.900 -0.346 0.000 1.146 339 Y CA 1.741 59.536 58.100 -0.509 0.000 1.182 339 Y CB -0.518 37.097 38.460 -1.408 0.000 0.983 339 Y HN 0.144 nan 8.280 nan 0.000 0.524 340 T N -0.214 114.304 114.554 -0.059 0.000 2.746 340 T HA -0.177 4.159 4.350 -0.023 0.000 0.267 340 T C 1.810 176.563 174.700 0.088 0.000 1.039 340 T CA 1.571 63.737 62.100 0.110 0.000 1.142 340 T CB -0.152 68.813 68.868 0.163 0.000 0.866 340 T HN 0.289 nan 8.240 nan 0.000 0.444 341 K N 0.500 120.922 120.400 0.037 0.000 2.057 341 K HA -0.014 4.292 4.320 -0.023 0.000 0.206 341 K C 2.347 178.961 176.600 0.023 0.000 1.050 341 K CA 0.890 57.195 56.287 0.029 0.000 0.935 341 K CB -0.362 32.141 32.500 0.006 0.000 0.715 341 K HN 0.144 nan 8.250 nan 0.000 0.439 342 V N 1.275 121.181 119.914 -0.014 0.000 2.358 342 V HA -0.235 3.871 4.120 -0.023 0.000 0.246 342 V C 2.248 178.379 176.094 0.061 0.000 1.047 342 V CA 1.670 63.963 62.300 -0.012 0.000 1.035 342 V CB -0.420 31.347 31.823 -0.092 0.000 0.658 342 V HN 0.251 nan 8.190 nan 0.000 0.452 343 Q N 0.268 120.135 119.800 0.112 0.000 2.079 343 Q HA -0.128 4.198 4.340 -0.023 0.000 0.200 343 Q C 2.049 178.206 176.000 0.261 0.000 0.974 343 Q CA 1.839 57.764 55.803 0.204 0.000 0.840 343 Q CB -0.664 28.269 28.738 0.325 0.000 0.898 343 Q HN 0.737 nan 8.270 nan 0.000 0.430 344 N N -0.628 118.211 118.700 0.232 0.000 2.166 344 N HA -0.165 4.561 4.740 -0.023 0.000 0.186 344 N C 1.533 177.140 175.510 0.161 0.000 1.019 344 N CA 0.779 53.962 53.050 0.222 0.000 0.856 344 N CB -0.106 38.459 38.487 0.129 0.000 0.993 344 N HN 0.270 nan 8.380 nan 0.000 0.426 345 A N 0.537 123.414 122.820 0.096 0.000 1.908 345 A HA -0.137 4.169 4.320 -0.023 0.000 0.218 345 A C 2.358 179.975 177.584 0.055 0.000 1.181 345 A CA 1.561 53.628 52.037 0.050 0.000 0.627 345 A CB -0.605 18.405 19.000 0.017 0.000 0.818 345 A HN 0.184 nan 8.150 nan 0.000 0.445 346 S N -1.509 114.224 115.700 0.056 0.000 2.368 346 S HA -0.122 4.334 4.470 -0.023 0.000 0.224 346 S C 1.839 176.423 174.600 -0.027 0.000 1.029 346 S CA 1.457 59.665 58.200 0.013 0.000 0.988 346 S CB -0.541 62.645 63.200 -0.023 0.000 0.838 346 S HN 0.644 nan 8.310 nan 0.000 0.462 347 Y N 1.898 122.221 120.300 0.040 0.000 2.224 347 Y HA -0.148 4.389 4.550 -0.022 0.000 0.289 347 Y C 2.708 178.620 175.900 0.020 0.000 1.146 347 Y CA 1.343 59.451 58.100 0.014 0.000 1.182 347 Y CB -0.542 37.920 38.460 0.004 0.000 0.983 347 Y HN 0.324 nan 8.280 nan 0.000 0.524 348 Q N -0.106 119.796 119.800 0.169 0.000 2.084 348 Q HA -0.162 4.164 4.340 -0.023 0.000 0.202 348 Q C 2.143 178.194 176.000 0.086 0.000 0.978 348 Q CA 2.049 57.910 55.803 0.096 0.000 0.844 348 Q CB -0.215 28.550 28.738 0.045 0.000 0.898 348 Q HN 0.335 nan 8.270 nan 0.000 0.426 349 V N 0.981 120.934 119.914 0.065 0.000 2.358 349 V HA -0.252 3.854 4.120 -0.023 0.000 0.246 349 V C 2.380 178.546 176.094 0.121 0.000 1.047 349 V CA 1.738 64.079 62.300 0.068 0.000 1.035 349 V CB -1.012 30.821 31.823 0.017 0.000 0.658 349 V HN 0.538 nan 8.190 nan 0.000 0.452 350 A N -0.001 122.877 122.820 0.097 0.000 1.902 350 A HA -0.108 4.198 4.320 -0.023 0.000 0.217 350 A C 2.414 180.033 177.584 0.058 0.000 1.181 350 A CA 2.073 54.155 52.037 0.076 0.000 0.623 350 A CB -0.763 18.260 19.000 0.038 0.000 0.818 350 A HN 0.563 nan 8.150 nan 0.000 0.443 351 A N -1.562 121.305 122.820 0.078 0.000 1.930 351 A HA -0.072 4.234 4.320 -0.023 0.000 0.217 351 A C 2.133 179.727 177.584 0.017 0.000 1.175 351 A CA 1.648 53.705 52.037 0.033 0.000 0.627 351 A CB -0.780 18.252 19.000 0.052 0.000 0.815 351 A HN 0.729 nan 8.150 nan 0.000 0.443 352 Y N 0.588 120.853 120.300 -0.058 0.000 2.145 352 Y HA -0.164 4.373 4.550 -0.023 0.000 0.286 352 Y C 1.940 177.779 175.900 -0.101 0.000 1.145 352 Y CA 1.806 59.859 58.100 -0.079 0.000 1.148 352 Y CB -0.436 37.980 38.460 -0.074 0.000 0.981 352 Y HN 0.207 nan 8.280 nan 0.000 0.507 353 L N -0.328 120.787 121.223 -0.179 0.000 2.046 353 L HA -0.230 4.096 4.340 -0.023 0.000 0.208 353 L C 2.781 179.481 176.870 -0.283 0.000 1.077 353 L CA 1.190 55.860 54.840 -0.282 0.000 0.747 353 L CB -1.027 40.980 42.059 -0.088 0.000 0.896 353 L HN 0.360 nan 8.230 nan 0.000 0.432 354 A N -0.116 122.584 122.820 -0.201 0.000 1.877 354 A HA -0.245 4.061 4.320 -0.023 0.000 0.216 354 A C 1.939 179.241 177.584 -0.470 0.000 1.186 354 A CA 2.056 53.916 52.037 -0.294 0.000 0.620 354 A CB -0.559 18.254 19.000 -0.312 0.000 0.822 354 A HN 0.339 nan 8.150 nan 0.000 0.443 355 D N -0.346 119.831 120.400 -0.371 0.000 2.117 355 D HA -0.116 4.510 4.640 -0.023 0.000 0.197 355 D C 2.016 178.128 176.300 -0.313 0.000 0.987 355 D CA 1.277 55.081 54.000 -0.326 0.000 0.829 355 D CB -0.198 40.470 40.800 -0.221 0.000 0.961 355 D HN 0.434 nan 8.370 nan 0.000 0.460 356 E N 0.343 120.301 120.200 -0.403 0.000 2.046 356 E HA -0.040 4.296 4.350 -0.023 0.000 0.190 356 E C 2.514 178.934 176.600 -0.300 0.000 0.982 356 E CA 0.215 56.386 56.400 -0.381 0.000 0.800 356 E CB -0.202 29.153 29.700 -0.576 0.000 0.756 356 E HN 0.389 nan 8.360 nan 0.000 0.449 357 I N 1.325 121.683 120.570 -0.352 0.000 2.361 357 I HA -0.241 3.915 4.170 -0.023 0.000 0.251 357 I C 2.410 178.501 176.117 -0.043 0.000 1.133 357 I CA 0.885 61.958 61.300 -0.379 0.000 1.413 357 I CB -0.359 37.278 38.000 -0.604 0.000 1.073 357 I HN -0.018 nan 8.210 nan 0.000 0.424 358 A N 1.088 123.915 122.820 0.012 0.000 1.972 358 A HA -0.205 4.101 4.320 -0.023 0.000 0.219 358 A C 2.206 179.803 177.584 0.022 0.000 1.169 358 A CA 1.468 53.581 52.037 0.125 0.000 0.635 358 A CB -0.395 18.534 19.000 -0.119 0.000 0.810 358 A HN 0.378 nan 8.150 nan 0.000 0.446 359 K N -0.417 119.954 120.400 -0.048 0.000 2.504 359 K HA 0.145 4.451 4.320 -0.023 0.000 0.195 359 K C 0.987 177.573 176.600 -0.024 0.000 1.036 359 K CA 0.575 56.833 56.287 -0.048 0.000 0.984 359 K CB -0.126 32.334 32.500 -0.066 0.000 0.788 359 K HN 0.488 nan 8.250 nan 0.000 0.488 360 L N -0.553 120.676 121.223 0.011 0.000 2.616 360 L HA 0.219 4.546 4.340 -0.023 0.000 0.229 360 L C 0.889 177.774 176.870 0.024 0.000 1.110 360 L CA -0.379 54.506 54.840 0.074 0.000 0.884 360 L CB 0.613 42.782 42.059 0.184 0.000 1.115 360 L HN 0.113 nan 8.230 nan 0.000 0.481 361 G N -0.247 108.398 108.800 -0.260 0.000 2.506 361 G HA2 0.314 4.260 3.960 -0.023 0.000 0.292 361 G HA3 0.314 4.260 3.960 -0.023 0.000 0.292 361 G C -2.947 171.431 174.900 -0.870 0.000 1.425 361 G CA -0.467 44.230 45.100 -0.672 0.000 0.788 361 G HN -0.315 nan 8.290 nan 0.000 0.490 362 P HA 0.275 nan 4.420 nan 0.000 0.237 362 P C -1.292 175.868 177.300 -0.233 0.000 1.788 362 P CA 0.006 62.909 63.100 -0.329 0.000 1.061 362 P CB -0.488 31.098 31.700 -0.190 0.000 1.967 363 Y N -0.256 120.074 120.300 0.050 0.000 2.457 363 Y HA 0.503 5.040 4.550 -0.023 0.000 0.333 363 Y C 0.924 176.843 175.900 0.033 0.000 1.119 363 Y CA -1.682 56.422 58.100 0.006 0.000 1.143 363 Y CB 1.527 39.872 38.460 -0.192 0.000 1.230 363 Y HN 0.197 nan 8.280 nan 0.000 0.469 364 E N 2.134 122.434 120.200 0.167 0.000 2.185 364 E HA 0.404 4.740 4.350 -0.023 0.000 0.261 364 E C -1.810 174.849 176.600 0.098 0.000 0.879 364 E CA -0.553 55.948 56.400 0.168 0.000 0.756 364 E CB 0.647 30.414 29.700 0.111 0.000 1.152 364 E HN 0.447 nan 8.360 nan 0.000 0.416 365 F N 4.289 124.315 119.950 0.128 0.000 2.396 365 F HA 0.281 4.794 4.527 -0.023 0.000 0.343 365 F C 1.176 177.031 175.800 0.091 0.000 1.104 365 F CA -0.290 57.783 58.000 0.122 0.000 1.161 365 F CB 0.789 39.827 39.000 0.064 0.000 1.146 365 F HN 0.557 nan 8.300 nan 0.000 0.522 366 I N 0.736 121.435 120.570 0.216 0.000 2.927 366 I HA 0.044 4.200 4.170 -0.023 0.000 0.268 366 I C 0.272 176.481 176.117 0.152 0.000 1.153 366 I CA 0.666 62.057 61.300 0.151 0.000 1.459 366 I CB 0.538 38.593 38.000 0.092 0.000 1.149 366 I HN 0.475 nan 8.210 nan 0.000 0.443 367 C N 0.887 120.297 119.300 0.182 0.000 2.535 367 C HA 0.489 4.935 4.460 -0.023 0.000 0.319 367 C C 0.894 175.997 174.990 0.187 0.000 1.171 367 C CA -0.227 58.870 59.018 0.131 0.000 1.394 367 C CB 0.818 28.601 27.740 0.071 0.000 1.990 367 C HN 0.482 nan 8.230 nan 0.000 0.466 368 T N 0.332 114.947 114.554 0.103 0.000 3.288 368 T HA 0.422 4.758 4.350 -0.023 0.000 0.293 368 T C 1.010 175.729 174.700 0.032 0.000 1.008 368 T CA 0.672 62.800 62.100 0.047 0.000 0.929 368 T CB -0.005 68.819 68.868 -0.074 0.000 1.152 368 T HN 2.229 nan 8.240 nan 0.000 0.517 369 G N 2.280 111.119 108.800 0.065 0.000 2.198 369 G HA2 -0.255 3.692 3.960 -0.023 0.000 0.257 369 G HA3 -0.255 3.692 3.960 -0.023 0.000 0.257 369 G C -0.098 174.923 174.900 0.201 0.000 1.042 369 G CA -0.511 44.675 45.100 0.143 0.000 0.791 369 G HN 0.686 nan 8.290 nan 0.000 0.502 370 R N 0.325 120.870 120.500 0.074 0.000 2.202 370 R HA 0.293 4.619 4.340 -0.023 0.000 0.334 370 R C -1.022 175.199 176.300 -0.132 0.000 1.036 370 R CA -1.475 54.607 56.100 -0.030 0.000 0.878 370 R CB 1.440 31.726 30.300 -0.023 0.000 1.067 370 R HN 0.122 nan 8.270 nan 0.000 0.457 371 P HA -0.196 nan 4.420 nan 0.000 0.222 371 P C 0.317 177.533 177.300 -0.139 0.000 1.147 371 P CA 1.285 63.985 63.100 -0.667 0.000 0.790 371 P CB 0.267 31.393 31.700 -0.958 0.000 0.780 372 D N -0.298 120.074 120.400 -0.047 0.000 2.349 372 D HA -0.074 4.552 4.640 -0.023 0.000 0.215 372 D C 1.249 177.700 176.300 0.251 0.000 1.016 372 D CA 0.535 54.600 54.000 0.108 0.000 0.870 372 D CB -0.167 40.664 40.800 0.051 0.000 0.917 372 D HN 0.266 nan 8.370 nan 0.000 0.524 373 E N -0.270 120.005 120.200 0.125 0.000 2.399 373 E HA 0.363 4.699 4.350 -0.023 0.000 0.205 373 E C 1.050 177.501 176.600 -0.248 0.000 0.906 373 E CA 0.291 56.766 56.400 0.125 0.000 0.998 373 E CB 1.380 31.112 29.700 0.053 0.000 1.002 373 E HN 0.303 nan 8.360 nan 0.000 0.501 374 G N 1.415 109.863 108.800 -0.586 0.000 2.474 374 G HA2 0.310 4.256 3.960 -0.023 0.000 0.234 374 G HA3 0.310 4.256 3.960 -0.023 0.000 0.234 374 G C -1.184 173.171 174.900 -0.908 0.000 1.204 374 G CA -0.630 43.658 45.100 -1.354 0.000 0.939 374 G HN 0.099 nan 8.290 nan 0.000 0.491 375 I N -1.213 118.963 120.570 -0.658 0.000 3.078 375 I HA 0.654 4.811 4.170 -0.023 0.000 0.318 375 I C -2.400 173.496 176.117 -0.370 0.000 1.016 375 I CA -2.477 58.540 61.300 -0.471 0.000 1.130 375 I CB 1.963 39.681 38.000 -0.469 0.000 1.397 375 I HN 0.081 nan 8.210 nan 0.000 0.570 376 P HA 0.259 nan 4.420 nan 0.000 0.241 376 P C -1.001 176.153 177.300 -0.243 0.000 1.760 376 P CA 0.210 62.943 63.100 -0.612 0.000 1.081 376 P CB -0.086 31.122 31.700 -0.820 0.000 1.975 377 A N 1.301 124.033 122.820 -0.147 0.000 2.556 377 A HA 0.697 5.003 4.320 -0.023 0.000 0.294 377 A C -1.136 176.451 177.584 0.006 0.000 1.091 377 A CA -0.621 51.364 52.037 -0.086 0.000 0.704 377 A CB 1.537 20.458 19.000 -0.132 0.000 1.300 377 A HN 0.052 nan 8.150 nan 0.000 0.406 378 V N 0.151 120.095 119.914 0.050 0.000 2.448 378 V HA 0.580 4.686 4.120 -0.023 0.000 0.295 378 V C -0.618 175.581 176.094 0.175 0.000 1.025 378 V CA -0.476 61.920 62.300 0.159 0.000 0.859 378 V CB 1.053 32.982 31.823 0.177 0.000 0.988 378 V HN 1.091 nan 8.190 nan 0.000 0.431 379 C N 7.750 127.179 119.300 0.215 0.000 2.481 379 C HA 0.919 5.366 4.460 -0.023 0.000 0.324 379 C C -0.922 174.109 174.990 0.069 0.000 1.170 379 C CA -0.698 58.365 59.018 0.075 0.000 1.361 379 C CB 0.168 27.935 27.740 0.045 0.000 1.977 379 C HN 0.867 nan 8.230 nan 0.000 0.459 380 F N 3.834 123.575 119.950 -0.349 0.000 2.685 380 F HA 0.866 5.379 4.527 -0.023 0.000 0.315 380 F C -1.020 174.541 175.800 -0.398 0.000 1.126 380 F CA -0.989 56.700 58.000 -0.518 0.000 0.950 380 F CB 1.070 39.386 39.000 -1.139 0.000 1.360 380 F HN 0.676 nan 8.300 nan 0.000 0.469 381 K N 0.961 121.246 120.400 -0.191 0.000 2.509 381 K HA 0.706 5.012 4.320 -0.023 0.000 0.266 381 K C -1.753 174.885 176.600 0.065 0.000 0.987 381 K CA -1.017 55.162 56.287 -0.179 0.000 0.868 381 K CB 2.313 34.722 32.500 -0.151 0.000 1.421 381 K HN 0.840 nan 8.250 nan 0.000 0.444 382 L N 2.106 123.368 121.223 0.065 0.000 2.426 382 L HA 0.198 4.524 4.340 -0.023 0.000 0.271 382 L C 0.303 177.214 176.870 0.068 0.000 1.169 382 L CA -0.438 54.489 54.840 0.145 0.000 0.836 382 L CB 0.399 42.488 42.059 0.050 0.000 1.112 382 L HN 0.577 nan 8.230 nan 0.000 0.465 383 K N 1.719 122.158 120.400 0.064 0.000 2.436 383 K HA 0.015 4.321 4.320 -0.023 0.000 0.275 383 K C -0.605 175.999 176.600 0.007 0.000 0.999 383 K CA -0.570 55.737 56.287 0.033 0.000 0.980 383 K CB 0.246 32.758 32.500 0.020 0.000 0.919 383 K HN 0.426 nan 8.250 nan 0.000 0.484 384 D N 1.436 121.840 120.400 0.006 0.000 2.581 384 D HA -0.022 4.605 4.640 -0.023 0.000 0.238 384 D C 1.347 177.641 176.300 -0.009 0.000 1.145 384 D CA 1.577 55.575 54.000 -0.003 0.000 0.866 384 D CB 0.434 41.234 40.800 0.001 0.000 1.151 384 D HN 0.795 nan 8.370 nan 0.000 0.500 385 G N 2.520 111.311 108.800 -0.015 0.000 2.363 385 G HA2 -0.284 3.662 3.960 -0.023 0.000 0.238 385 G HA3 -0.284 3.662 3.960 -0.023 0.000 0.238 385 G C 0.261 175.143 174.900 -0.031 0.000 1.062 385 G CA -0.168 44.920 45.100 -0.020 0.000 0.629 385 G HN 0.518 nan 8.290 nan 0.000 0.514 386 E N 1.770 121.948 120.200 -0.036 0.000 2.415 386 E HA 0.338 4.675 4.350 -0.023 0.000 0.263 386 E C -0.676 175.875 176.600 -0.082 0.000 0.995 386 E CA 0.247 56.613 56.400 -0.057 0.000 0.915 386 E CB 1.172 30.835 29.700 -0.062 0.000 0.951 386 E HN 0.449 nan 8.360 nan 0.000 0.449 387 D N 4.156 124.496 120.400 -0.098 0.000 2.375 387 D HA 0.147 4.774 4.640 -0.023 0.000 0.259 387 D C -1.765 174.431 176.300 -0.173 0.000 1.235 387 D CA -1.549 52.372 54.000 -0.130 0.000 0.924 387 D CB 1.100 41.852 40.800 -0.080 0.000 1.143 387 D HN 0.136 nan 8.370 nan 0.000 0.529 388 P HA 0.159 nan 4.420 nan 0.000 0.242 388 P C 0.857 178.019 177.300 -0.230 0.000 1.197 388 P CA 0.468 63.372 63.100 -0.327 0.000 0.765 388 P CB 0.352 31.699 31.700 -0.588 0.000 0.936 389 G N -0.257 108.429 108.800 -0.190 0.000 2.141 389 G HA2 -0.202 3.745 3.960 -0.023 0.000 0.231 389 G HA3 -0.202 3.745 3.960 -0.023 0.000 0.231 389 G C -0.217 174.733 174.900 0.082 0.000 0.984 389 G CA 0.082 45.169 45.100 -0.021 0.000 0.660 389 G HN 0.586 nan 8.290 nan 0.000 0.525 390 Y N -1.389 118.946 120.300 0.059 0.000 2.624 390 Y HA 0.776 5.313 4.550 -0.023 0.000 0.334 390 Y C -0.136 175.805 175.900 0.069 0.000 1.155 390 Y CA -0.933 57.208 58.100 0.069 0.000 1.046 390 Y CB 0.534 39.038 38.460 0.074 0.000 1.316 390 Y HN 0.717 nan 8.280 nan 0.000 0.457 391 T N -0.840 113.906 114.554 0.320 0.000 2.948 391 T HA 0.467 4.803 4.350 -0.023 0.000 0.285 391 T C 0.580 175.429 174.700 0.249 0.000 1.019 391 T CA -0.994 61.230 62.100 0.206 0.000 1.013 391 T CB 1.256 70.244 68.868 0.201 0.000 1.117 391 T HN 0.849 nan 8.240 nan 0.000 0.533 392 L N -0.225 121.006 121.223 0.013 0.000 2.275 392 L HA -0.008 4.318 4.340 -0.023 0.000 0.215 392 L C 2.129 178.920 176.870 -0.133 0.000 1.119 392 L CA 1.016 55.787 54.840 -0.114 0.000 0.790 392 L CB -0.678 41.160 42.059 -0.368 0.000 0.919 392 L HN 0.685 nan 8.230 nan 0.000 0.443 393 Y N 0.351 120.653 120.300 0.004 0.000 2.200 393 Y HA -0.227 4.309 4.550 -0.023 0.000 0.290 393 Y C 2.506 178.409 175.900 0.005 0.000 1.137 393 Y CA 1.042 59.142 58.100 0.000 0.000 1.163 393 Y CB -0.484 37.984 38.460 0.013 0.000 0.988 393 Y HN 0.224 nan 8.280 nan 0.000 0.518 394 D N -0.233 120.285 120.400 0.197 0.000 2.117 394 D HA -0.157 4.470 4.640 -0.023 0.000 0.197 394 D C 2.216 178.522 176.300 0.010 0.000 0.987 394 D CA 1.045 55.112 54.000 0.112 0.000 0.829 394 D CB -0.483 40.406 40.800 0.149 0.000 0.961 394 D HN 0.247 nan 8.370 nan 0.000 0.460 395 L N 0.914 122.109 121.223 -0.047 0.000 2.046 395 L HA -0.133 4.193 4.340 -0.023 0.000 0.208 395 L C 2.359 179.148 176.870 -0.135 0.000 1.077 395 L CA 1.589 56.313 54.840 -0.193 0.000 0.747 395 L CB -0.889 41.005 42.059 -0.275 0.000 0.896 395 L HN -0.097 nan 8.230 nan 0.000 0.432 396 S N -0.879 114.785 115.700 -0.060 0.000 2.370 396 S HA -0.291 4.165 4.470 -0.023 0.000 0.226 396 S C 2.094 176.701 174.600 0.012 0.000 1.033 396 S CA 1.668 59.859 58.200 -0.014 0.000 1.011 396 S CB -0.449 62.768 63.200 0.029 0.000 0.852 396 S HN 0.667 nan 8.310 nan 0.000 0.457 397 E N -0.224 119.988 120.200 0.020 0.000 2.106 397 E HA -0.177 4.160 4.350 -0.023 0.000 0.192 397 E C 2.312 178.898 176.600 -0.023 0.000 0.984 397 E CA 0.819 57.227 56.400 0.012 0.000 0.806 397 E CB -0.104 29.608 29.700 0.020 0.000 0.750 397 E HN 0.277 nan 8.360 nan 0.000 0.458 398 R N 0.415 120.879 120.500 -0.059 0.000 2.073 398 R HA -0.048 4.278 4.340 -0.023 0.000 0.234 398 R C 2.362 178.630 176.300 -0.053 0.000 1.134 398 R CA 1.277 57.313 56.100 -0.107 0.000 0.952 398 R CB -0.563 29.645 30.300 -0.155 0.000 0.850 398 R HN 0.260 nan 8.270 nan 0.000 0.433 399 L N -0.317 120.895 121.223 -0.018 0.000 2.191 399 L HA -0.088 4.239 4.340 -0.023 0.000 0.212 399 L C 2.519 179.504 176.870 0.193 0.000 1.103 399 L CA 1.148 56.054 54.840 0.109 0.000 0.769 399 L CB -0.344 41.755 42.059 0.067 0.000 0.908 399 L HN 0.180 nan 8.230 nan 0.000 0.438 400 R N 0.563 121.120 120.500 0.096 0.000 2.189 400 R HA -0.118 4.208 4.340 -0.023 0.000 0.223 400 R C 2.175 178.491 176.300 0.026 0.000 1.092 400 R CA 0.864 57.009 56.100 0.074 0.000 0.989 400 R CB -0.105 30.221 30.300 0.043 0.000 0.876 400 R HN 0.363 nan 8.270 nan 0.000 0.457 401 L N 0.107 121.332 121.223 0.004 0.000 2.265 401 L HA -0.108 4.219 4.340 -0.023 0.000 0.215 401 L C 1.904 178.757 176.870 -0.028 0.000 1.117 401 L CA 0.908 55.729 54.840 -0.031 0.000 0.782 401 L CB -0.143 41.872 42.059 -0.072 0.000 0.914 401 L HN 0.078 nan 8.230 nan 0.000 0.441 402 R N -0.188 120.318 120.500 0.009 0.000 2.393 402 R HA 0.189 4.515 4.340 -0.023 0.000 0.244 402 R C 1.196 177.351 176.300 -0.243 0.000 0.920 402 R CA 0.720 56.793 56.100 -0.046 0.000 1.076 402 R CB 0.608 30.978 30.300 0.117 0.000 1.119 402 R HN 0.392 nan 8.270 nan 0.000 0.524 403 G N 0.411 109.116 108.800 -0.158 0.000 2.175 403 G HA2 -0.237 3.709 3.960 -0.023 0.000 0.244 403 G HA3 -0.237 3.709 3.960 -0.023 0.000 0.244 403 G C -0.307 174.486 174.900 -0.178 0.000 0.982 403 G CA -0.120 44.858 45.100 -0.203 0.000 0.641 403 G HN 0.300 nan 8.290 nan 0.000 0.527 404 W N 1.133 122.436 121.300 0.004 0.000 2.261 404 W HA 0.649 5.295 4.660 -0.022 0.000 0.323 404 W C 0.750 177.255 176.519 -0.024 0.000 1.243 404 W CA -0.617 56.718 57.345 -0.018 0.000 1.210 404 W CB 0.714 30.162 29.460 -0.019 0.000 1.149 404 W HN 0.063 nan 8.180 nan 0.000 0.562 405 Q N 2.331 122.266 119.800 0.226 0.000 2.425 405 Q HA 0.380 4.706 4.340 -0.023 0.000 0.254 405 Q C -1.042 175.013 176.000 0.092 0.000 1.032 405 Q CA -0.550 55.326 55.803 0.121 0.000 0.798 405 Q CB 1.664 30.446 28.738 0.074 0.000 1.210 405 Q HN 0.257 nan 8.270 nan 0.000 0.491 406 V N 5.232 125.193 119.914 0.079 0.000 2.325 406 V HA 0.310 4.416 4.120 -0.023 0.000 0.280 406 V C -2.019 174.104 176.094 0.049 0.000 1.016 406 V CA -1.754 60.567 62.300 0.035 0.000 0.818 406 V CB 1.175 33.002 31.823 0.006 0.000 1.019 406 V HN 0.614 nan 8.190 nan 0.000 0.434 407 P HA 0.359 nan 4.420 nan 0.000 0.271 407 P C -0.682 176.695 177.300 0.129 0.000 1.216 407 P CA 0.025 63.225 63.100 0.167 0.000 0.776 407 P CB 1.621 33.467 31.700 0.243 0.000 0.881 408 A N 3.885 126.772 122.820 0.111 0.000 2.356 408 A HA 0.827 5.134 4.320 -0.023 0.000 0.310 408 A C -0.798 176.810 177.584 0.041 0.000 1.075 408 A CA -0.535 51.395 52.037 -0.178 0.000 0.746 408 A CB 0.603 19.409 19.000 -0.324 0.000 1.221 408 A HN 0.561 nan 8.150 nan 0.000 0.443 409 F N -0.573 119.296 119.950 -0.135 0.000 2.713 409 F HA 0.767 5.280 4.527 -0.023 0.000 0.311 409 F C -0.040 175.744 175.800 -0.026 0.000 1.141 409 F CA -0.574 57.439 58.000 0.021 0.000 0.939 409 F CB 0.978 40.022 39.000 0.072 0.000 1.325 409 F HN 0.526 nan 8.300 nan 0.000 0.453 410 T N 0.490 115.194 114.554 0.249 0.000 2.909 410 T HA 0.683 5.019 4.350 -0.023 0.000 0.286 410 T C -0.129 174.686 174.700 0.192 0.000 1.002 410 T CA -0.742 61.427 62.100 0.116 0.000 1.074 410 T CB 1.180 70.122 68.868 0.124 0.000 0.984 410 T HN 0.746 nan 8.240 nan 0.000 0.495 411 L N 1.406 122.671 121.223 0.070 0.000 2.479 411 L HA 0.617 4.944 4.340 -0.023 0.000 0.249 411 L C 1.373 178.234 176.870 -0.014 0.000 1.178 411 L CA -0.756 54.116 54.840 0.055 0.000 0.811 411 L CB 0.252 42.319 42.059 0.013 0.000 1.187 411 L HN 0.975 nan 8.230 nan 0.000 0.480 412 G N -1.515 107.227 108.800 -0.097 0.000 2.857 412 G HA2 0.554 4.501 3.960 -0.023 0.000 0.217 412 G HA3 0.554 4.501 3.960 -0.023 0.000 0.217 412 G C 0.281 175.139 174.900 -0.070 0.000 1.357 412 G CA -0.111 44.931 45.100 -0.097 0.000 1.033 412 G HN 0.961 nan 8.290 nan 0.000 0.571 413 G N -0.155 108.609 108.800 -0.060 0.000 2.622 413 G HA2 -0.321 3.625 3.960 -0.023 0.000 0.307 413 G HA3 -0.321 3.625 3.960 -0.023 0.000 0.307 413 G C 0.829 175.708 174.900 -0.034 0.000 1.226 413 G CA 0.873 45.947 45.100 -0.043 0.000 0.997 413 G HN 0.711 nan 8.290 nan 0.000 0.551 414 E N 1.321 121.499 120.200 -0.037 0.000 2.465 414 E HA 0.456 4.793 4.350 -0.023 0.000 0.191 414 E C 1.476 178.059 176.600 -0.029 0.000 1.053 414 E CA 0.443 56.825 56.400 -0.031 0.000 0.869 414 E CB 0.321 30.000 29.700 -0.035 0.000 0.977 414 E HN 0.737 nan 8.360 nan 0.000 0.483 415 A N 0.908 123.710 122.820 -0.031 0.000 2.676 415 A HA 0.065 4.371 4.320 -0.023 0.000 0.297 415 A C 1.598 179.170 177.584 -0.020 0.000 1.132 415 A CA -0.288 51.733 52.037 -0.026 0.000 0.972 415 A CB -0.421 18.562 19.000 -0.028 0.000 1.197 415 A HN 0.197 nan 8.150 nan 0.000 0.524 416 T N -1.668 112.877 114.554 -0.015 0.000 3.051 416 T HA -0.131 4.205 4.350 -0.023 0.000 0.269 416 T C 1.020 175.724 174.700 0.006 0.000 1.127 416 T CA 1.289 63.388 62.100 -0.002 0.000 1.107 416 T CB -0.371 68.496 68.868 -0.001 0.000 0.898 416 T HN 0.566 nan 8.240 nan 0.000 0.517 417 D N 0.649 121.048 120.400 -0.002 0.000 2.340 417 D HA 0.075 4.701 4.640 -0.023 0.000 0.220 417 D C 0.562 176.854 176.300 -0.012 0.000 1.039 417 D CA -0.215 53.785 54.000 0.000 0.000 0.866 417 D CB -0.123 40.675 40.800 -0.003 0.000 0.913 417 D HN 0.458 nan 8.370 nan 0.000 0.523 418 I N 1.455 122.009 120.570 -0.027 0.000 2.331 418 I HA 0.161 4.317 4.170 -0.023 0.000 0.292 418 I C -0.321 175.733 176.117 -0.104 0.000 0.998 418 I CA -0.880 60.384 61.300 -0.059 0.000 1.267 418 I CB 2.139 40.105 38.000 -0.057 0.000 1.386 418 I HN -0.291 nan 8.210 nan 0.000 0.476 419 V N 7.283 127.099 119.914 -0.163 0.000 2.435 419 V HA 0.489 4.595 4.120 -0.023 0.000 0.290 419 V C 0.025 175.863 176.094 -0.426 0.000 1.030 419 V CA -0.567 61.554 62.300 -0.299 0.000 0.881 419 V CB 1.837 33.450 31.823 -0.350 0.000 0.983 419 V HN 0.560 nan 8.190 nan 0.000 0.445 420 V N 2.780 122.316 119.914 -0.630 0.000 3.040 420 V HA 0.768 4.875 4.120 -0.023 0.000 0.312 420 V C -0.656 174.882 176.094 -0.927 0.000 1.115 420 V CA -0.939 60.917 62.300 -0.740 0.000 0.998 420 V CB 2.121 33.554 31.823 -0.650 0.000 1.042 420 V HN 0.888 nan 8.190 nan 0.000 0.433 421 M N 3.292 122.324 119.600 -0.947 0.000 2.383 421 M HA 0.679 5.145 4.480 -0.023 0.000 0.325 421 M C -0.787 175.179 176.300 -0.556 0.000 1.092 421 M CA -0.636 54.191 55.300 -0.790 0.000 0.961 421 M CB 1.747 33.745 32.600 -1.003 0.000 1.672 421 M HN 0.970 nan 8.290 nan 0.000 0.438 422 R N 5.167 125.543 120.500 -0.207 0.000 2.561 422 R HA 0.683 5.009 4.340 -0.023 0.000 0.297 422 R C -2.026 174.276 176.300 0.004 0.000 0.969 422 R CA -0.510 55.576 56.100 -0.023 0.000 0.879 422 R CB 1.479 31.886 30.300 0.178 0.000 1.178 422 R HN 0.850 nan 8.270 nan 0.000 0.445 423 I N 5.126 125.694 120.570 -0.002 0.000 2.410 423 I HA 0.309 4.466 4.170 -0.023 0.000 0.286 423 I C -0.349 175.701 176.117 -0.111 0.000 1.009 423 I CA -0.872 60.395 61.300 -0.056 0.000 1.111 423 I CB 1.878 39.866 38.000 -0.020 0.000 1.262 423 I HN 0.401 nan 8.210 nan 0.000 0.443 424 M N 5.208 124.689 119.600 -0.198 0.000 2.144 424 M HA 0.274 4.740 4.480 -0.023 0.000 0.356 424 M C -0.723 175.441 176.300 -0.228 0.000 1.217 424 M CA -0.418 54.726 55.300 -0.259 0.000 1.087 424 M CB 0.953 33.321 32.600 -0.387 0.000 1.609 424 M HN 0.537 nan 8.290 nan 0.000 0.467 425 C N 5.101 124.348 119.300 -0.088 0.000 2.184 425 C HA 0.505 4.951 4.460 -0.023 0.000 0.328 425 C C 0.820 175.876 174.990 0.109 0.000 1.081 425 C CA -0.892 58.168 59.018 0.070 0.000 1.533 425 C CB -0.593 27.240 27.740 0.155 0.000 1.905 425 C HN 0.800 nan 8.230 nan 0.000 0.439 426 R N 0.820 121.362 120.500 0.070 0.000 2.606 426 R HA 0.540 4.866 4.340 -0.023 0.000 0.249 426 R C 0.380 176.760 176.300 0.134 0.000 1.127 426 R CA -0.894 55.248 56.100 0.071 0.000 1.133 426 R CB 0.871 31.127 30.300 -0.073 0.000 1.243 426 R HN 0.597 nan 8.270 nan 0.000 0.558 427 R N 0.162 120.727 120.500 0.108 0.000 2.522 427 R HA 0.044 4.370 4.340 -0.023 0.000 0.284 427 R C 0.331 176.688 176.300 0.095 0.000 1.032 427 R CA 1.521 57.677 56.100 0.094 0.000 1.049 427 R CB 0.038 30.402 30.300 0.106 0.000 0.956 427 R HN 0.893 nan 8.270 nan 0.000 0.422 428 G N 3.432 112.235 108.800 0.004 0.000 2.179 428 G HA2 -0.262 3.685 3.960 -0.023 0.000 0.220 428 G HA3 -0.262 3.685 3.960 -0.023 0.000 0.220 428 G C -0.316 174.745 174.900 0.269 0.000 0.990 428 G CA 0.011 45.093 45.100 -0.030 0.000 0.646 428 G HN 0.574 nan 8.290 nan 0.000 0.517 429 F N 4.026 124.034 119.950 0.096 0.000 2.434 429 F HA 0.456 4.969 4.527 -0.024 0.000 0.316 429 F C 0.860 176.728 175.800 0.113 0.000 1.222 429 F CA -1.744 56.348 58.000 0.153 0.000 1.207 429 F CB -0.045 38.966 39.000 0.018 0.000 1.466 429 F HN 0.325 nan 8.300 nan 0.000 0.545 430 E N 1.602 121.825 120.200 0.038 0.000 2.409 430 E HA -0.083 4.254 4.350 -0.023 0.000 0.257 430 E C 1.212 177.688 176.600 -0.206 0.000 1.150 430 E CA -0.315 56.033 56.400 -0.086 0.000 0.942 430 E CB 0.614 30.273 29.700 -0.068 0.000 0.979 430 E HN 0.542 nan 8.360 nan 0.000 0.447 431 M N 1.174 120.663 119.600 -0.185 0.000 2.082 431 M HA -0.235 4.231 4.480 -0.023 0.000 0.258 431 M C 1.575 177.769 176.300 -0.177 0.000 1.069 431 M CA 2.586 57.749 55.300 -0.228 0.000 1.102 431 M CB -0.761 31.694 32.600 -0.240 0.000 1.336 431 M HN 0.776 nan 8.290 nan 0.000 0.404 432 D N -1.124 119.216 120.400 -0.101 0.000 2.117 432 D HA -0.206 4.420 4.640 -0.023 0.000 0.197 432 D C 1.787 178.134 176.300 0.078 0.000 0.987 432 D CA 1.238 55.222 54.000 -0.027 0.000 0.829 432 D CB -0.229 40.556 40.800 -0.025 0.000 0.961 432 D HN 0.387 nan 8.370 nan 0.000 0.460 433 F N 1.183 121.053 119.950 -0.134 0.000 2.134 433 F HA 0.031 4.546 4.527 -0.021 0.000 0.299 433 F C 2.207 177.923 175.800 -0.139 0.000 1.097 433 F CA 1.271 59.243 58.000 -0.047 0.000 1.264 433 F CB -1.026 37.956 39.000 -0.029 0.000 1.001 433 F HN 0.041 nan 8.300 nan 0.000 0.479 434 A N -0.417 122.110 122.820 -0.487 0.000 1.972 434 A HA -0.198 4.109 4.320 -0.023 0.000 0.219 434 A C 2.054 179.546 177.584 -0.153 0.000 1.169 434 A CA 1.643 53.271 52.037 -0.682 0.000 0.635 434 A CB -0.755 17.772 19.000 -0.789 0.000 0.810 434 A HN 0.370 nan 8.150 nan 0.000 0.446 435 E N 0.328 120.518 120.200 -0.016 0.000 2.150 435 E HA -0.097 4.239 4.350 -0.023 0.000 0.193 435 E C 1.735 178.397 176.600 0.103 0.000 0.985 435 E CA 1.004 57.458 56.400 0.091 0.000 0.814 435 E CB -0.416 29.330 29.700 0.077 0.000 0.752 435 E HN 0.627 nan 8.360 nan 0.000 0.466 436 L N -0.186 121.140 121.223 0.172 0.000 2.093 436 L HA -0.112 4.214 4.340 -0.023 0.000 0.208 436 L C 2.366 179.386 176.870 0.251 0.000 1.085 436 L CA 0.706 55.718 54.840 0.286 0.000 0.755 436 L CB -0.463 41.891 42.059 0.491 0.000 0.904 436 L HN 0.253 nan 8.230 nan 0.000 0.435 437 L N -0.119 121.101 121.223 -0.005 0.000 2.017 437 L HA -0.202 4.125 4.340 -0.023 0.000 0.208 437 L C 2.322 179.084 176.870 -0.179 0.000 1.073 437 L CA 1.574 56.115 54.840 -0.500 0.000 0.745 437 L CB -0.517 41.029 42.059 -0.856 0.000 0.894 437 L HN 0.100 nan 8.230 nan 0.000 0.432 438 L N -0.048 121.126 121.223 -0.082 0.000 2.042 438 L HA -0.224 4.102 4.340 -0.023 0.000 0.210 438 L C 2.403 179.307 176.870 0.056 0.000 1.076 438 L CA 1.908 56.726 54.840 -0.037 0.000 0.749 438 L CB -0.772 41.250 42.059 -0.063 0.000 0.893 438 L HN 0.446 nan 8.230 nan 0.000 0.432 439 E N -0.702 119.545 120.200 0.078 0.000 2.085 439 E HA -0.236 4.100 4.350 -0.023 0.000 0.194 439 E C 1.774 178.447 176.600 0.120 0.000 0.994 439 E CA 1.399 57.861 56.400 0.103 0.000 0.801 439 E CB -0.260 29.511 29.700 0.119 0.000 0.743 439 E HN 0.572 nan 8.360 nan 0.000 0.453 440 D N -0.079 120.405 120.400 0.141 0.000 2.178 440 D HA -0.143 4.484 4.640 -0.023 0.000 0.202 440 D C 1.680 178.029 176.300 0.081 0.000 0.974 440 D CA 0.755 54.839 54.000 0.140 0.000 0.841 440 D CB -0.209 40.744 40.800 0.256 0.000 0.953 440 D HN 0.182 nan 8.370 nan 0.000 0.478 441 Y N 1.981 122.252 120.300 -0.048 0.000 2.145 441 Y HA -0.175 4.361 4.550 -0.023 0.000 0.286 441 Y C 2.111 177.996 175.900 -0.025 0.000 1.145 441 Y CA 1.549 59.613 58.100 -0.059 0.000 1.148 441 Y CB 0.068 38.475 38.460 -0.088 0.000 0.981 441 Y HN -0.166 nan 8.280 nan 0.000 0.507 442 K N -0.356 120.191 120.400 0.245 0.000 2.057 442 K HA -0.161 4.146 4.320 -0.023 0.000 0.207 442 K C 2.319 178.973 176.600 0.089 0.000 1.049 442 K CA 1.179 57.566 56.287 0.167 0.000 0.931 442 K CB -0.391 32.180 32.500 0.119 0.000 0.714 442 K HN 0.369 nan 8.250 nan 0.000 0.440 443 A N 1.052 123.916 122.820 0.072 0.000 1.898 443 A HA -0.140 4.166 4.320 -0.023 0.000 0.216 443 A C 2.223 179.828 177.584 0.036 0.000 1.181 443 A CA 1.744 53.817 52.037 0.060 0.000 0.620 443 A CB -0.478 18.558 19.000 0.061 0.000 0.819 443 A HN 0.162 nan 8.150 nan 0.000 0.442 444 S N -0.036 115.641 115.700 -0.038 0.000 2.356 444 S HA -0.090 4.367 4.470 -0.023 0.000 0.223 444 S C 1.843 176.382 174.600 -0.101 0.000 1.032 444 S CA 1.444 59.581 58.200 -0.106 0.000 1.005 444 S CB -0.464 62.593 63.200 -0.239 0.000 0.867 444 S HN 0.515 nan 8.310 nan 0.000 0.449 445 L N 1.408 122.540 121.223 -0.152 0.000 2.046 445 L HA -0.149 4.178 4.340 -0.023 0.000 0.208 445 L C 2.587 179.463 176.870 0.009 0.000 1.077 445 L CA 1.380 56.136 54.840 -0.140 0.000 0.747 445 L CB -0.523 41.515 42.059 -0.035 0.000 0.896 445 L HN 0.311 nan 8.230 nan 0.000 0.432 446 K N -0.225 120.209 120.400 0.057 0.000 2.032 446 K HA -0.280 4.026 4.320 -0.023 0.000 0.209 446 K C 2.320 178.990 176.600 0.117 0.000 1.048 446 K CA 1.839 58.178 56.287 0.087 0.000 0.927 446 K CB -0.349 32.206 32.500 0.091 0.000 0.712 446 K HN 0.160 nan 8.250 nan 0.000 0.441 447 Y N 1.472 121.773 120.300 0.002 0.000 2.145 447 Y HA -0.181 4.356 4.550 -0.022 0.000 0.286 447 Y C 1.818 177.748 175.900 0.049 0.000 1.145 447 Y CA 1.638 59.731 58.100 -0.011 0.000 1.148 447 Y CB -0.141 38.237 38.460 -0.136 0.000 0.981 447 Y HN 0.020 nan 8.280 nan 0.000 0.507 448 L N -0.224 121.105 121.223 0.177 0.000 2.131 448 L HA -0.227 4.100 4.340 -0.023 0.000 0.210 448 L C 2.611 179.557 176.870 0.127 0.000 1.092 448 L CA 1.622 56.547 54.840 0.142 0.000 0.759 448 L CB -0.755 41.332 42.059 0.045 0.000 0.903 448 L HN 0.382 nan 8.230 nan 0.000 0.435 449 S N -1.679 114.086 115.700 0.107 0.000 2.425 449 S HA -0.099 4.357 4.470 -0.023 0.000 0.225 449 S C 1.343 175.966 174.600 0.037 0.000 1.024 449 S CA 0.750 59.006 58.200 0.094 0.000 0.951 449 S CB -0.227 63.029 63.200 0.093 0.000 0.796 449 S HN 0.308 nan 8.310 nan 0.000 0.498 450 D N 0.867 121.287 120.400 0.034 0.000 2.355 450 D HA 0.112 4.738 4.640 -0.023 0.000 0.218 450 D C -0.210 175.946 176.300 -0.240 0.000 1.004 450 D CA 0.754 54.729 54.000 -0.042 0.000 0.880 450 D CB -0.005 40.813 40.800 0.030 0.000 0.911 450 D HN 0.572 nan 8.370 nan 0.000 0.528 451 H N -1.113 117.801 119.070 -0.260 0.000 2.616 451 H HA 0.305 4.848 4.556 -0.023 0.000 0.229 451 H C -2.163 173.109 175.328 -0.093 0.000 1.418 451 H CA -1.626 54.272 56.048 -0.249 0.000 1.248 451 H CB -0.057 29.393 29.762 -0.521 0.000 1.822 451 H HN -0.021 nan 8.280 nan 0.000 0.522 452 P HA 0.000 nan 4.420 nan 0.000 0.216 452 P CA 0.000 63.130 63.100 0.049 0.000 0.800 452 P CB 0.000 31.711 31.700 0.018 0.000 0.726