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 3dlb_1_A DATA FIRST_RESID 3 DATA SEQUENCE HLGKTEVFLN RFALRPLNPE ELRPWRLEVV LDPPPGREEV YPLLAQVARR DATA SEQUENCE AGGVTVRMGD GLASWSPPEV LVLEGTLARM GQTYAYRLYP KGRRPLDPKD DATA SEQUENCE PGERSVLSAL ARRLLQERLR RLEGVWVEGL AVYRREHARG PGWRVLGGAV DATA SEQUENCE LDLWVSDSGA FLLEVDPAYR ILCEMSLEAW LAQGHPLPKR VRNAYDRRTW DATA SEQUENCE ELLRLGEEDP KELPLPGGLS LLDYHASKGR LQGREGGRVA WVADPKDPRK DATA SEQUENCE PIPHLTGLLV PVLTLEDLHE XXXSLALSLP WEERRRRTRE IASWIGRRLG DATA SEQUENCE LGTPEAVRAQ AYRLSIPKLM GRRAVSKPAD ALRVGFYRAQ ETALALLRLD DATA SEQUENCE GAQGWPEFLR RALLRAFGAS GASLRLHTLH AHPSQGLAFR EALRKAKEEG DATA SEQUENCE VQAVLVLTPP MAWEDRNRLK ALLLREGLPS QILNVPLREE ERHRWENALL DATA SEQUENCE GLLAKAGLQV VALSGAYPAE LAVGFDAGGR ESFRFGGAAC AVGGDGGHLL DATA SEQUENCE WTLPEAQAGE RIPQEVVWDL LEETLWAFRR KAGRLPSRVL LLRDGRVPQD DATA SEQUENCE EFALALEALA REGIAYDLVS VRKSGGGRVY PVQGRLADGL YVPLEDKTFL DATA SEQUENCE LLTVHRDFRG TPRPLKLVHE AGDTPLEALA HQIFHLTRLY 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.371 175.328 0.071 0.000 0.993 3 H CA 0.000 56.082 56.048 0.056 0.000 1.023 3 H CB 0.000 29.799 29.762 0.061 0.000 1.292 4 L N 0.753 122.020 121.223 0.072 0.000 3.923 4 L HA 0.587 4.929 4.340 0.002 0.000 0.374 4 L C 1.023 177.963 176.870 0.117 0.000 1.137 4 L CA 0.805 55.705 54.840 0.099 0.000 1.351 4 L CB 0.176 42.278 42.059 0.071 0.000 1.720 4 L HN 0.947 nan 8.230 nan 0.000 0.634 5 G N 1.704 110.545 108.800 0.068 0.000 2.432 5 G HA2 0.408 4.369 3.960 0.002 0.000 0.239 5 G HA3 0.408 4.369 3.960 0.002 0.000 0.239 5 G C -0.129 174.772 174.900 0.001 0.000 1.291 5 G CA 0.420 45.541 45.100 0.035 0.000 0.863 5 G HN 0.572 nan 8.290 nan 0.000 0.560 6 K N 0.694 121.057 120.400 -0.062 0.000 2.118 6 K HA 0.747 5.069 4.320 0.002 0.000 0.267 6 K C 0.045 176.528 176.600 -0.194 0.000 0.991 6 K CA -0.483 55.661 56.287 -0.238 0.000 0.916 6 K CB 1.324 33.637 32.500 -0.311 0.000 1.041 6 K HN 0.632 nan 8.250 nan 0.000 0.455 7 T N 2.671 117.079 114.554 -0.245 0.000 2.890 7 T HA 0.243 4.594 4.350 0.002 0.000 0.295 7 T C -0.616 173.968 174.700 -0.194 0.000 0.993 7 T CA -0.678 61.322 62.100 -0.168 0.000 0.979 7 T CB 0.801 69.597 68.868 -0.120 0.000 0.967 7 T HN 0.777 nan 8.240 nan 0.000 0.441 8 E N 2.874 122.972 120.200 -0.170 0.000 2.437 8 E HA 0.335 4.687 4.350 0.002 0.000 0.263 8 E C -0.699 175.790 176.600 -0.186 0.000 1.030 8 E CA -0.353 55.925 56.400 -0.202 0.000 0.934 8 E CB 1.119 30.701 29.700 -0.198 0.000 0.943 8 E HN 0.292 nan 8.360 nan 0.000 0.444 9 V N 3.135 122.912 119.914 -0.229 0.000 3.048 9 V HA 0.366 4.487 4.120 0.002 0.000 0.303 9 V C -1.688 174.304 176.094 -0.170 0.000 1.214 9 V CA -0.833 61.383 62.300 -0.139 0.000 0.984 9 V CB 1.872 33.642 31.823 -0.088 0.000 1.054 9 V HN 0.618 nan 8.190 nan 0.000 0.430 10 F N 5.290 125.278 119.950 0.064 0.000 2.415 10 F HA 0.616 5.144 4.527 0.002 0.000 0.348 10 F C 0.353 176.218 175.800 0.110 0.000 1.119 10 F CA -0.422 57.620 58.000 0.070 0.000 1.069 10 F CB 1.356 40.420 39.000 0.105 0.000 1.124 10 F HN 0.249 nan 8.300 nan 0.000 0.472 11 L N 3.507 124.884 121.223 0.258 0.000 2.431 11 L HA 0.314 4.655 4.340 0.002 0.000 0.260 11 L C 0.712 177.663 176.870 0.135 0.000 1.098 11 L CA -0.864 54.070 54.840 0.156 0.000 0.800 11 L CB 0.740 42.844 42.059 0.074 0.000 1.210 11 L HN 0.551 nan 8.230 nan 0.000 0.465 12 N N 0.811 119.612 118.700 0.169 0.000 2.575 12 N HA 0.119 4.860 4.740 0.002 0.000 0.275 12 N C -0.350 175.199 175.510 0.066 0.000 1.202 12 N CA -0.225 52.931 53.050 0.176 0.000 0.945 12 N CB 0.038 38.766 38.487 0.401 0.000 1.247 12 N HN 0.520 nan 8.380 nan 0.000 0.510 13 R N -0.234 120.138 120.500 -0.213 0.000 2.873 13 R HA 0.626 4.967 4.340 0.002 0.000 0.264 13 R C -1.030 174.906 176.300 -0.607 0.000 1.026 13 R CA -0.619 55.403 56.100 -0.130 0.000 1.002 13 R CB 1.223 31.523 30.300 0.001 0.000 1.174 13 R HN 0.031 nan 8.270 nan 0.000 0.488 14 F N -0.180 119.775 119.950 0.008 0.000 2.596 14 F HA 0.480 5.008 4.527 0.002 0.000 0.311 14 F C -0.271 175.503 175.800 -0.044 0.000 1.116 14 F CA -0.961 57.038 58.000 -0.001 0.000 0.957 14 F CB 1.972 40.968 39.000 -0.006 0.000 1.250 14 F HN 0.544 nan 8.300 nan 0.000 0.444 15 A N 3.914 126.807 122.820 0.121 0.000 2.309 15 A HA 0.868 5.189 4.320 0.002 0.000 0.298 15 A C -0.814 176.815 177.584 0.075 0.000 1.165 15 A CA -0.341 51.730 52.037 0.057 0.000 0.821 15 A CB 0.534 19.555 19.000 0.036 0.000 1.102 15 A HN 0.791 nan 8.150 nan 0.000 0.500 16 L N 1.045 122.311 121.223 0.073 0.000 2.271 16 L HA 0.587 4.928 4.340 0.002 0.000 0.265 16 L C 0.791 177.727 176.870 0.109 0.000 1.013 16 L CA -1.353 53.540 54.840 0.089 0.000 0.820 16 L CB 1.360 43.475 42.059 0.093 0.000 1.352 16 L HN 1.002 nan 8.230 nan 0.000 0.443 17 R N 0.074 120.638 120.500 0.107 0.000 2.802 17 R HA 0.115 4.456 4.340 0.002 0.000 0.264 17 R C -2.602 173.757 176.300 0.098 0.000 0.996 17 R CA -0.760 55.392 56.100 0.087 0.000 1.123 17 R CB -0.777 29.565 30.300 0.070 0.000 0.996 17 R HN 0.158 nan 8.270 nan 0.000 0.444 18 P HA 0.064 nan 4.420 nan 0.000 0.274 18 P C -0.902 176.343 177.300 -0.090 0.000 1.246 18 P CA -0.522 62.547 63.100 -0.051 0.000 0.795 18 P CB 0.464 32.136 31.700 -0.046 0.000 1.006 19 L N 2.191 123.283 121.223 -0.219 0.000 2.367 19 L HA 0.189 4.530 4.340 0.002 0.000 0.275 19 L C 1.014 177.795 176.870 -0.150 0.000 1.129 19 L CA 0.228 54.912 54.840 -0.260 0.000 0.839 19 L CB -0.833 41.006 42.059 -0.367 0.000 1.133 19 L HN 0.416 nan 8.230 nan 0.000 0.453 20 N N 5.075 123.694 118.700 -0.135 0.000 2.399 20 N HA 0.244 4.985 4.740 0.002 0.000 0.250 20 N C -1.952 173.484 175.510 -0.124 0.000 1.272 20 N CA -1.231 51.752 53.050 -0.111 0.000 0.928 20 N CB -0.143 38.282 38.487 -0.104 0.000 1.158 20 N HN 0.322 nan 8.380 nan 0.000 0.463 21 P HA -0.235 nan 4.420 nan 0.000 0.216 21 P C 0.553 177.782 177.300 -0.117 0.000 1.157 21 P CA 1.691 64.735 63.100 -0.093 0.000 0.880 21 P CB 0.148 31.802 31.700 -0.076 0.000 0.791 22 E N 0.472 120.587 120.200 -0.141 0.000 2.097 22 E HA -0.198 4.153 4.350 0.002 0.000 0.196 22 E C 1.928 178.406 176.600 -0.204 0.000 1.000 22 E CA 1.422 57.715 56.400 -0.177 0.000 0.804 22 E CB -0.945 28.656 29.700 -0.166 0.000 0.740 22 E HN 0.542 nan 8.360 nan 0.000 0.454 23 E N -0.345 119.685 120.200 -0.284 0.000 2.482 23 E HA 0.018 4.369 4.350 0.002 0.000 0.196 23 E C 1.451 178.115 176.600 0.106 0.000 1.047 23 E CA 0.136 56.312 56.400 -0.373 0.000 0.869 23 E CB 0.097 29.304 29.700 -0.822 0.000 0.836 23 E HN 0.228 nan 8.360 nan 0.000 0.520 24 L N 0.002 121.225 121.223 -0.000 0.000 2.529 24 L HA 0.126 4.467 4.340 0.002 0.000 0.223 24 L C 0.559 177.443 176.870 0.024 0.000 1.113 24 L CA 0.188 55.046 54.840 0.030 0.000 0.861 24 L CB 0.483 42.524 42.059 -0.031 0.000 1.012 24 L HN -0.151 nan 8.230 nan 0.000 0.461 25 R N 0.334 120.825 120.500 -0.016 0.000 2.868 25 R HA 0.259 4.601 4.340 0.002 0.000 0.289 25 R C -2.470 173.755 176.300 -0.126 0.000 1.443 25 R CA -2.218 53.831 56.100 -0.086 0.000 1.651 25 R CB 0.128 30.332 30.300 -0.160 0.000 1.242 25 R HN -0.080 nan 8.270 nan 0.000 0.621 26 P HA -0.024 nan 4.420 nan 0.000 0.272 26 P C -0.457 176.807 177.300 -0.059 0.000 1.230 26 P CA -0.255 62.884 63.100 0.064 0.000 0.788 26 P CB 0.747 32.502 31.700 0.091 0.000 0.949 27 W N 1.348 122.717 121.300 0.115 0.000 2.218 27 W HA 0.336 4.998 4.660 0.002 0.000 0.326 27 W C 1.380 177.921 176.519 0.037 0.000 1.276 27 W CA -0.167 57.220 57.345 0.070 0.000 1.210 27 W CB 0.413 29.915 29.460 0.070 0.000 1.143 27 W HN 0.326 nan 8.180 nan 0.000 0.563 28 R N 2.607 123.294 120.500 0.312 0.000 2.664 28 R HA 0.777 5.118 4.340 0.002 0.000 0.286 28 R C -1.702 174.695 176.300 0.162 0.000 0.967 28 R CA -0.639 55.564 56.100 0.172 0.000 0.933 28 R CB 0.795 31.163 30.300 0.114 0.000 1.146 28 R HN 0.561 nan 8.270 nan 0.000 0.468 29 L N 1.956 123.242 121.223 0.104 0.000 2.464 29 L HA 0.405 4.746 4.340 0.002 0.000 0.266 29 L C -0.589 176.333 176.870 0.086 0.000 0.965 29 L CA -0.527 54.373 54.840 0.099 0.000 0.833 29 L CB 2.048 44.156 42.059 0.081 0.000 1.296 29 L HN 0.682 nan 8.230 nan 0.000 0.405 30 E N 1.638 121.911 120.200 0.121 0.000 2.301 30 E HA 0.641 4.992 4.350 0.002 0.000 0.275 30 E C -1.280 175.424 176.600 0.172 0.000 1.030 30 E CA -0.514 55.946 56.400 0.100 0.000 0.852 30 E CB 1.516 31.250 29.700 0.056 0.000 1.060 30 E HN 0.396 nan 8.360 nan 0.000 0.401 31 V N 3.571 123.553 119.914 0.113 0.000 3.019 31 V HA 0.553 4.674 4.120 0.002 0.000 0.317 31 V C -0.407 175.769 176.094 0.137 0.000 1.094 31 V CA -0.786 61.606 62.300 0.155 0.000 1.000 31 V CB 1.835 33.696 31.823 0.063 0.000 1.060 31 V HN 0.563 nan 8.190 nan 0.000 0.443 32 V N 3.281 123.312 119.914 0.194 0.000 2.851 32 V HA 0.694 4.815 4.120 0.002 0.000 0.307 32 V C -1.707 174.478 176.094 0.153 0.000 1.129 32 V CA -0.454 61.929 62.300 0.139 0.000 0.932 32 V CB 1.964 33.867 31.823 0.133 0.000 1.024 32 V HN 0.714 nan 8.190 nan 0.000 0.426 33 L N 4.250 125.531 121.223 0.096 0.000 2.346 33 L HA 0.807 5.148 4.340 0.002 0.000 0.274 33 L C -1.195 175.741 176.870 0.110 0.000 1.007 33 L CA -0.460 54.436 54.840 0.093 0.000 0.818 33 L CB 1.958 44.008 42.059 -0.016 0.000 1.284 33 L HN 0.847 nan 8.230 nan 0.000 0.424 34 D N 3.066 123.563 120.400 0.162 0.000 2.788 34 D HA 0.487 5.129 4.640 0.002 0.000 0.247 34 D C -2.776 173.668 176.300 0.241 0.000 1.236 34 D CA -1.558 52.541 54.000 0.165 0.000 0.898 34 D CB 2.745 43.612 40.800 0.112 0.000 1.401 34 D HN 0.065 nan 8.370 nan 0.000 0.549 35 P HA 0.371 nan 4.420 nan 0.000 0.278 35 P C -2.632 174.816 177.300 0.246 0.000 1.258 35 P CA -1.499 61.723 63.100 0.204 0.000 0.811 35 P CB 0.231 32.020 31.700 0.149 0.000 1.063 36 P HA 0.094 nan 4.420 nan 0.000 0.263 36 P C -2.058 175.321 177.300 0.132 0.000 1.195 36 P CA -0.363 62.795 63.100 0.096 0.000 0.762 36 P CB -0.681 31.059 31.700 0.067 0.000 0.799 37 P HA 0.233 nan 4.420 nan 0.000 0.301 37 P C -0.098 177.240 177.300 0.064 0.000 1.309 37 P CA -0.496 62.667 63.100 0.105 0.000 0.782 37 P CB 0.827 32.428 31.700 -0.166 0.000 1.282 38 G N 0.002 108.849 108.800 0.078 0.000 2.441 38 G HA2 -0.001 3.960 3.960 0.002 0.000 0.243 38 G HA3 -0.001 3.960 3.960 0.002 0.000 0.243 38 G C 0.984 175.897 174.900 0.022 0.000 1.281 38 G CA -0.284 44.846 45.100 0.051 0.000 0.854 38 G HN 0.577 nan 8.290 nan 0.000 0.560 39 R N 0.711 121.218 120.500 0.011 0.000 2.170 39 R HA -0.161 4.180 4.340 0.002 0.000 0.242 39 R C 1.970 178.254 176.300 -0.027 0.000 1.145 39 R CA 2.008 58.105 56.100 -0.006 0.000 0.984 39 R CB 0.037 30.328 30.300 -0.014 0.000 0.869 39 R HN 0.697 nan 8.270 nan 0.000 0.455 40 E N -0.443 119.746 120.200 -0.019 0.000 2.502 40 E HA -0.063 4.288 4.350 0.002 0.000 0.194 40 E C 0.618 177.215 176.600 -0.006 0.000 1.062 40 E CA 0.711 57.092 56.400 -0.032 0.000 0.867 40 E CB 0.183 29.876 29.700 -0.012 0.000 0.888 40 E HN 0.475 nan 8.360 nan 0.000 0.510 41 E N 0.021 120.225 120.200 0.007 0.000 2.511 41 E HA 0.092 4.443 4.350 0.002 0.000 0.209 41 E C 1.313 177.912 176.600 -0.002 0.000 0.986 41 E CA 0.041 56.449 56.400 0.012 0.000 0.974 41 E CB 0.536 30.245 29.700 0.016 0.000 1.030 41 E HN 0.101 nan 8.360 nan 0.000 0.490 42 V N 0.924 120.854 119.914 0.027 0.000 2.295 42 V HA -0.277 3.844 4.120 0.002 0.000 0.246 42 V C 1.818 178.012 176.094 0.166 0.000 1.049 42 V CA 1.751 64.093 62.300 0.069 0.000 1.024 42 V CB -0.481 31.418 31.823 0.127 0.000 0.648 42 V HN 0.286 nan 8.190 nan 0.000 0.447 43 Y N -0.040 120.231 120.300 -0.049 0.000 2.163 43 Y HA -0.030 4.521 4.550 0.002 0.000 0.288 43 Y C 0.255 176.127 175.900 -0.046 0.000 1.136 43 Y CA 0.723 58.797 58.100 -0.044 0.000 1.147 43 Y CB -2.211 36.231 38.460 -0.029 0.000 0.987 43 Y HN 0.357 nan 8.280 nan 0.000 0.509 44 P HA -0.150 nan 4.420 nan 0.000 0.218 44 P C 1.614 178.921 177.300 0.011 0.000 1.148 44 P CA 1.213 64.346 63.100 0.056 0.000 0.822 44 P CB 0.061 31.793 31.700 0.052 0.000 0.784 45 L N -1.462 119.753 121.223 -0.013 0.000 2.109 45 L HA -0.065 4.276 4.340 0.002 0.000 0.207 45 L C 2.268 179.082 176.870 -0.092 0.000 1.086 45 L CA 1.560 56.362 54.840 -0.063 0.000 0.760 45 L CB -1.452 40.518 42.059 -0.148 0.000 0.910 45 L HN -0.043 nan 8.230 nan 0.000 0.437 46 L N -1.257 119.909 121.223 -0.095 0.000 2.141 46 L HA -0.161 4.180 4.340 0.002 0.000 0.209 46 L C 2.570 179.355 176.870 -0.141 0.000 1.094 46 L CA 0.957 55.712 54.840 -0.141 0.000 0.763 46 L CB -0.734 41.226 42.059 -0.165 0.000 0.908 46 L HN 0.265 nan 8.230 nan 0.000 0.437 47 A N -0.518 122.242 122.820 -0.101 0.000 1.933 47 A HA -0.269 4.052 4.320 0.002 0.000 0.218 47 A C 2.261 179.793 177.584 -0.086 0.000 1.175 47 A CA 1.640 53.627 52.037 -0.084 0.000 0.628 47 A CB -0.449 18.524 19.000 -0.045 0.000 0.814 47 A HN 0.458 nan 8.150 nan 0.000 0.444 48 Q N -0.352 119.400 119.800 -0.081 0.000 2.172 48 Q HA -0.085 4.257 4.340 0.002 0.000 0.200 48 Q C 1.921 177.830 176.000 -0.150 0.000 0.964 48 Q CA 1.531 57.289 55.803 -0.076 0.000 0.855 48 Q CB -0.084 28.635 28.738 -0.031 0.000 0.918 48 Q HN 0.478 nan 8.270 nan 0.000 0.444 49 V N 0.733 120.497 119.914 -0.250 0.000 2.453 49 V HA -0.211 3.911 4.120 0.002 0.000 0.247 49 V C 2.365 178.246 176.094 -0.355 0.000 1.048 49 V CA 1.522 63.519 62.300 -0.504 0.000 1.049 49 V CB -1.056 30.403 31.823 -0.607 0.000 0.672 49 V HN 0.426 nan 8.190 nan 0.000 0.457 50 A N 0.378 123.068 122.820 -0.217 0.000 1.917 50 A HA -0.273 4.048 4.320 0.002 0.000 0.219 50 A C 2.419 179.940 177.584 -0.105 0.000 1.182 50 A CA 2.190 54.141 52.037 -0.143 0.000 0.633 50 A CB -0.485 18.446 19.000 -0.115 0.000 0.819 50 A HN 0.532 nan 8.150 nan 0.000 0.448 51 R N -1.351 119.092 120.500 -0.095 0.000 2.062 51 R HA -0.018 4.323 4.340 0.002 0.000 0.229 51 R C 2.394 178.672 176.300 -0.035 0.000 1.128 51 R CA 1.021 57.090 56.100 -0.052 0.000 0.960 51 R CB -0.301 29.977 30.300 -0.037 0.000 0.855 51 R HN 0.329 nan 8.270 nan 0.000 0.432 52 R N 0.647 121.115 120.500 -0.054 0.000 2.127 52 R HA -0.071 4.271 4.340 0.002 0.000 0.238 52 R C 2.046 178.384 176.300 0.063 0.000 1.134 52 R CA 1.470 57.584 56.100 0.024 0.000 0.975 52 R CB -0.636 29.708 30.300 0.072 0.000 0.865 52 R HN 0.241 nan 8.270 nan 0.000 0.447 53 A N 0.540 123.356 122.820 -0.005 0.000 2.119 53 A HA 0.191 4.513 4.320 0.002 0.000 0.217 53 A C 1.109 178.710 177.584 0.028 0.000 1.153 53 A CA 1.035 53.099 52.037 0.044 0.000 0.692 53 A CB -0.423 18.573 19.000 -0.008 0.000 0.799 53 A HN 0.478 nan 8.150 nan 0.000 0.458 54 G N -2.157 106.649 108.800 0.011 0.000 2.804 54 G HA2 0.340 4.301 3.960 0.002 0.000 0.230 54 G HA3 0.340 4.301 3.960 0.002 0.000 0.230 54 G C 1.030 175.941 174.900 0.018 0.000 1.386 54 G CA 0.183 45.291 45.100 0.014 0.000 0.875 54 G HN 2.483 nan 8.290 nan 0.000 0.557 55 G N -2.820 105.996 108.800 0.027 0.000 2.693 55 G HA2 0.183 4.144 3.960 0.002 0.000 0.226 55 G HA3 0.183 4.144 3.960 0.002 0.000 0.226 55 G C 0.056 174.989 174.900 0.055 0.000 1.354 55 G CA 0.369 45.496 45.100 0.047 0.000 0.873 55 G HN 2.061 nan 8.290 nan 0.000 0.562 56 V N 2.304 122.275 119.914 0.095 0.000 2.221 56 V HA 0.577 4.698 4.120 0.002 0.000 0.258 56 V C 0.850 176.972 176.094 0.047 0.000 1.179 56 V CA 0.737 63.095 62.300 0.097 0.000 1.022 56 V CB -0.074 31.879 31.823 0.217 0.000 1.228 56 V HN 1.397 nan 8.190 nan 0.000 0.487 57 T N 1.425 115.975 114.554 -0.006 0.000 2.886 57 T HA 0.826 5.178 4.350 0.002 0.000 0.292 57 T C -0.848 173.802 174.700 -0.082 0.000 1.012 57 T CA -0.556 61.521 62.100 -0.040 0.000 0.982 57 T CB 2.109 70.971 68.868 -0.010 0.000 1.018 57 T HN 0.071 nan 8.240 nan 0.000 0.451 58 V N 2.082 121.926 119.914 -0.116 0.000 3.126 58 V HA 0.638 4.760 4.120 0.002 0.000 0.314 58 V C 0.134 176.154 176.094 -0.124 0.000 1.138 58 V CA -1.466 60.760 62.300 -0.124 0.000 1.034 58 V CB 2.201 33.931 31.823 -0.156 0.000 1.075 58 V HN 1.017 nan 8.190 nan 0.000 0.442 59 R N 2.028 122.447 120.500 -0.135 0.000 2.340 59 R HA 0.518 4.859 4.340 0.002 0.000 0.300 59 R C -0.749 175.451 176.300 -0.166 0.000 1.069 59 R CA -0.205 55.796 56.100 -0.164 0.000 0.984 59 R CB 0.519 30.697 30.300 -0.202 0.000 1.003 59 R HN 0.745 nan 8.270 nan 0.000 0.459 60 M N 5.887 125.391 119.600 -0.159 0.000 2.035 60 M HA 0.226 4.707 4.480 0.002 0.000 0.286 60 M C 0.167 176.381 176.300 -0.144 0.000 0.907 60 M CA 0.354 55.575 55.300 -0.131 0.000 0.935 60 M CB 1.292 33.840 32.600 -0.087 0.000 1.557 60 M HN 0.948 nan 8.290 nan 0.000 0.426 61 G N 4.143 112.835 108.800 -0.179 0.000 2.601 61 G HA2 -0.334 3.628 3.960 0.002 0.000 0.306 61 G HA3 -0.334 3.628 3.960 0.002 0.000 0.306 61 G C -0.015 174.722 174.900 -0.272 0.000 1.172 61 G CA 0.832 45.837 45.100 -0.159 0.000 0.966 61 G HN 0.719 nan 8.290 nan 0.000 0.542 62 D N 1.648 121.968 120.400 -0.133 0.000 2.402 62 D HA 0.500 5.141 4.640 0.002 0.000 0.216 62 D C 0.877 177.120 176.300 -0.094 0.000 1.128 62 D CA 1.100 55.035 54.000 -0.109 0.000 0.833 62 D CB 0.649 41.447 40.800 -0.004 0.000 0.971 62 D HN 0.692 nan 8.370 nan 0.000 0.503 63 G N -0.678 108.060 108.800 -0.103 0.000 3.135 63 G HA2 0.682 4.643 3.960 0.002 0.000 0.278 63 G HA3 0.682 4.643 3.960 0.002 0.000 0.278 63 G C -1.055 173.795 174.900 -0.084 0.000 1.302 63 G CA -0.630 44.431 45.100 -0.064 0.000 0.880 63 G HN 0.022 nan 8.290 nan 0.000 0.574 64 L N -0.404 120.793 121.223 -0.044 0.000 2.304 64 L HA 0.824 5.165 4.340 0.002 0.000 0.268 64 L C 0.079 176.937 176.870 -0.019 0.000 1.010 64 L CA -1.083 53.728 54.840 -0.049 0.000 0.813 64 L CB 2.082 44.120 42.059 -0.035 0.000 1.315 64 L HN 0.695 nan 8.230 nan 0.000 0.445 65 A N 0.711 123.511 122.820 -0.033 0.000 2.427 65 A HA 0.704 5.025 4.320 0.002 0.000 0.298 65 A C -1.055 176.516 177.584 -0.021 0.000 1.036 65 A CA -0.370 51.657 52.037 -0.017 0.000 0.701 65 A CB 1.997 20.945 19.000 -0.085 0.000 1.250 65 A HN 0.497 nan 8.150 nan 0.000 0.412 66 S N 0.621 116.378 115.700 0.095 0.000 2.569 66 S HA 0.662 5.133 4.470 0.002 0.000 0.280 66 S C -0.897 173.914 174.600 0.352 0.000 1.111 66 S CA -0.289 57.998 58.200 0.146 0.000 0.887 66 S CB 0.818 64.127 63.200 0.181 0.000 1.095 66 S HN 0.722 nan 8.310 nan 0.000 0.476 67 W N 2.195 123.605 121.300 0.184 0.000 3.058 67 W HA 0.321 4.982 4.660 0.002 0.000 0.306 67 W C 0.648 177.292 176.519 0.208 0.000 1.188 67 W CA -0.323 57.127 57.345 0.175 0.000 1.651 67 W CB -0.665 28.863 29.460 0.115 0.000 1.051 67 W HN 0.684 nan 8.180 nan 0.000 0.592 68 S N 2.272 118.208 115.700 0.393 0.000 2.616 68 S HA 0.418 4.890 4.470 0.002 0.000 0.277 68 S C -2.326 172.405 174.600 0.218 0.000 1.234 68 S CA -1.543 56.809 58.200 0.253 0.000 1.028 68 S CB 1.070 64.364 63.200 0.157 0.000 0.988 68 S HN -0.137 nan 8.310 nan 0.000 0.522 69 P HA 0.118 nan 4.420 nan 0.000 0.261 69 P C -2.166 175.047 177.300 -0.145 0.000 1.183 69 P CA -0.844 62.269 63.100 0.021 0.000 0.761 69 P CB -0.302 31.414 31.700 0.027 0.000 0.785 70 P HA -0.194 nan 4.420 nan 0.000 0.219 70 P C 1.405 178.569 177.300 -0.226 0.000 1.144 70 P CA 1.373 64.225 63.100 -0.413 0.000 0.806 70 P CB 0.094 31.353 31.700 -0.735 0.000 0.771 71 E N -0.678 119.413 120.200 -0.181 0.000 2.208 71 E HA -0.086 4.265 4.350 0.002 0.000 0.193 71 E C 1.609 178.167 176.600 -0.070 0.000 0.988 71 E CA 0.651 56.984 56.400 -0.112 0.000 0.828 71 E CB -0.810 28.836 29.700 -0.089 0.000 0.763 71 E HN -0.029 nan 8.360 nan 0.000 0.478 72 V N 0.800 120.681 119.914 -0.055 0.000 3.041 72 V HA -0.031 4.090 4.120 0.002 0.000 0.260 72 V C 1.217 177.301 176.094 -0.016 0.000 1.105 72 V CA 0.516 62.802 62.300 -0.024 0.000 1.125 72 V CB -0.463 31.359 31.823 -0.001 0.000 0.730 72 V HN 0.208 nan 8.190 nan 0.000 0.479 73 L N -0.260 120.946 121.223 -0.027 0.000 2.473 73 L HA 0.164 4.505 4.340 0.002 0.000 0.268 73 L C 0.105 176.977 176.870 0.004 0.000 1.215 73 L CA 0.023 54.859 54.840 -0.007 0.000 0.823 73 L CB 0.673 42.724 42.059 -0.014 0.000 1.099 73 L HN -0.089 nan 8.230 nan 0.000 0.483 74 V N 3.773 123.711 119.914 0.039 0.000 2.247 74 V HA 0.086 4.207 4.120 0.002 0.000 0.262 74 V C 1.109 177.269 176.094 0.109 0.000 1.096 74 V CA -0.149 62.184 62.300 0.056 0.000 0.895 74 V CB 0.768 32.641 31.823 0.085 0.000 1.141 74 V HN 0.631 nan 8.190 nan 0.000 0.478 75 L N 2.352 123.597 121.223 0.037 0.000 2.261 75 L HA -0.005 4.337 4.340 0.002 0.000 0.216 75 L C 0.898 177.753 176.870 -0.025 0.000 1.114 75 L CA 1.456 56.314 54.840 0.030 0.000 0.777 75 L CB -0.029 41.991 42.059 -0.065 0.000 0.910 75 L HN 0.572 nan 8.230 nan 0.000 0.440 76 E N -1.322 118.782 120.200 -0.160 0.000 2.272 76 E HA 0.625 4.976 4.350 0.002 0.000 0.269 76 E C -0.333 175.931 176.600 -0.560 0.000 0.877 76 E CA -0.286 55.844 56.400 -0.449 0.000 0.755 76 E CB 2.262 31.796 29.700 -0.277 0.000 1.192 76 E HN 0.073 nan 8.360 nan 0.000 0.422 77 G N 0.630 108.797 108.800 -1.054 0.000 2.489 77 G HA2 0.446 4.407 3.960 0.002 0.000 0.305 77 G HA3 0.446 4.407 3.960 0.002 0.000 0.305 77 G C -0.891 173.802 174.900 -0.344 0.000 1.311 77 G CA -0.298 44.496 45.100 -0.511 0.000 0.813 77 G HN 0.462 nan 8.290 nan 0.000 0.480 78 T N -2.193 112.378 114.554 0.029 0.000 2.927 78 T HA 0.857 5.208 4.350 0.002 0.000 0.286 78 T C -0.769 174.078 174.700 0.244 0.000 1.040 78 T CA -0.621 61.556 62.100 0.128 0.000 1.010 78 T CB 1.739 70.645 68.868 0.064 0.000 1.177 78 T HN 0.760 nan 8.240 nan 0.000 0.546 79 L N -0.222 121.141 121.223 0.234 0.000 2.403 79 L HA 0.898 5.239 4.340 0.002 0.000 0.253 79 L C -0.654 176.336 176.870 0.200 0.000 1.045 79 L CA -1.139 53.835 54.840 0.223 0.000 0.845 79 L CB 1.883 44.093 42.059 0.251 0.000 1.447 79 L HN 1.147 nan 8.230 nan 0.000 0.411 80 A N 1.117 124.040 122.820 0.173 0.000 2.429 80 A HA 0.848 5.170 4.320 0.002 0.000 0.289 80 A C -1.064 176.613 177.584 0.155 0.000 1.043 80 A CA -0.491 51.632 52.037 0.143 0.000 0.722 80 A CB 1.469 20.522 19.000 0.089 0.000 1.243 80 A HN 0.654 nan 8.150 nan 0.000 0.415 81 R N 3.296 123.909 120.500 0.188 0.000 2.468 81 R HA 0.530 4.871 4.340 0.002 0.000 0.302 81 R C -0.382 176.001 176.300 0.137 0.000 1.041 81 R CA -0.582 55.617 56.100 0.165 0.000 0.899 81 R CB 0.674 31.090 30.300 0.193 0.000 1.167 81 R HN 0.934 nan 8.270 nan 0.000 0.483 82 M N 4.072 123.738 119.600 0.109 0.000 3.616 82 M HA -0.248 4.233 4.480 0.002 0.000 0.163 82 M C 0.618 176.968 176.300 0.082 0.000 1.444 82 M CA 1.626 56.983 55.300 0.097 0.000 0.961 82 M CB -1.177 31.476 32.600 0.088 0.000 1.306 82 M HN 1.168 nan 8.290 nan 0.000 0.505 83 G N 1.836 110.686 108.800 0.084 0.000 2.855 83 G HA2 -0.333 3.628 3.960 0.002 0.000 0.231 83 G HA3 -0.333 3.628 3.960 0.002 0.000 0.231 83 G C 0.060 174.971 174.900 0.019 0.000 1.242 83 G CA 0.793 45.929 45.100 0.060 0.000 0.789 83 G HN 0.689 nan 8.290 nan 0.000 0.517 84 Q N 1.421 121.221 119.800 0.001 0.000 2.364 84 Q HA 0.479 4.820 4.340 0.002 0.000 0.267 84 Q C 0.374 176.281 176.000 -0.155 0.000 0.999 84 Q CA 0.928 56.665 55.803 -0.110 0.000 0.886 84 Q CB 1.101 29.773 28.738 -0.111 0.000 1.243 84 Q HN 0.552 nan 8.270 nan 0.000 0.415 85 T N 0.406 114.761 114.554 -0.332 0.000 2.907 85 T HA 0.665 5.017 4.350 0.002 0.000 0.292 85 T C -1.443 172.999 174.700 -0.431 0.000 1.043 85 T CA -0.425 61.544 62.100 -0.218 0.000 1.003 85 T CB 0.827 69.651 68.868 -0.074 0.000 1.084 85 T HN 0.472 nan 8.240 nan 0.000 0.483 86 Y N 0.155 120.493 120.300 0.062 0.000 2.677 86 Y HA 0.781 5.332 4.550 0.002 0.000 0.334 86 Y C -0.020 175.930 175.900 0.082 0.000 1.154 86 Y CA -1.335 56.806 58.100 0.068 0.000 1.070 86 Y CB 1.611 40.120 38.460 0.081 0.000 1.294 86 Y HN 1.009 nan 8.280 nan 0.000 0.475 87 A N 0.743 123.720 122.820 0.262 0.000 2.365 87 A HA 0.789 5.110 4.320 0.002 0.000 0.318 87 A C -1.852 175.831 177.584 0.166 0.000 1.091 87 A CA -0.706 51.414 52.037 0.139 0.000 0.763 87 A CB 0.528 19.555 19.000 0.045 0.000 1.248 87 A HN 0.739 nan 8.150 nan 0.000 0.442 88 Y N 0.110 120.450 120.300 0.066 0.000 2.524 88 Y HA 0.871 5.422 4.550 0.002 0.000 0.344 88 Y C -0.380 175.543 175.900 0.038 0.000 1.012 88 Y CA -1.227 56.905 58.100 0.053 0.000 1.068 88 Y CB 1.463 39.944 38.460 0.034 0.000 1.249 88 Y HN 0.745 nan 8.280 nan 0.000 0.468 89 R N 3.417 124.024 120.500 0.179 0.000 2.574 89 R HA 0.607 4.948 4.340 0.002 0.000 0.288 89 R C -2.030 174.372 176.300 0.171 0.000 1.004 89 R CA -0.656 55.472 56.100 0.048 0.000 0.895 89 R CB 1.449 31.751 30.300 0.004 0.000 1.191 89 R HN 0.959 nan 8.270 nan 0.000 0.444 90 L N 3.842 125.098 121.223 0.055 0.000 2.343 90 L HA 0.470 4.811 4.340 0.002 0.000 0.275 90 L C -0.976 175.815 176.870 -0.133 0.000 1.056 90 L CA -0.825 54.069 54.840 0.089 0.000 0.804 90 L CB 1.123 43.242 42.059 0.100 0.000 1.203 90 L HN 0.608 nan 8.230 nan 0.000 0.440 91 Y N 1.690 122.011 120.300 0.036 0.000 2.526 91 Y HA 0.323 4.875 4.550 0.002 0.000 0.328 91 Y C -2.210 173.701 175.900 0.019 0.000 0.995 91 Y CA -2.680 55.433 58.100 0.021 0.000 1.304 91 Y CB 0.890 39.363 38.460 0.022 0.000 1.096 91 Y HN 0.363 nan 8.280 nan 0.000 0.499 92 P HA 0.006 nan 4.420 nan 0.000 0.260 92 P C -0.002 177.360 177.300 0.102 0.000 1.185 92 P CA 0.294 63.426 63.100 0.053 0.000 0.763 92 P CB 0.560 32.234 31.700 -0.042 0.000 0.776 93 K N 3.097 123.576 120.400 0.132 0.000 2.896 93 K HA 0.348 4.669 4.320 0.002 0.000 0.210 93 K C 0.729 177.435 176.600 0.177 0.000 1.116 93 K CA -0.176 56.191 56.287 0.135 0.000 1.050 93 K CB 0.400 32.966 32.500 0.110 0.000 0.812 93 K HN 0.799 nan 8.250 nan 0.000 0.462 94 G N 2.024 110.981 108.800 0.261 0.000 2.750 94 G HA2 -0.313 3.648 3.960 0.002 0.000 0.228 94 G HA3 -0.313 3.648 3.960 0.002 0.000 0.228 94 G C -0.808 174.353 174.900 0.435 0.000 1.367 94 G CA -0.589 44.758 45.100 0.412 0.000 0.871 94 G HN 0.436 nan 8.290 nan 0.000 0.560 95 R N 0.071 120.692 120.500 0.201 0.000 2.349 95 R HA 0.647 4.988 4.340 0.002 0.000 0.299 95 R C 0.421 176.689 176.300 -0.053 0.000 1.027 95 R CA -0.398 55.627 56.100 -0.125 0.000 0.958 95 R CB 0.636 30.612 30.300 -0.541 0.000 1.047 95 R HN 0.858 nan 8.270 nan 0.000 0.468 96 R N 5.809 126.277 120.500 -0.052 0.000 2.515 96 R HA 0.412 4.753 4.340 0.002 0.000 0.291 96 R C -2.741 173.541 176.300 -0.030 0.000 1.046 96 R CA -1.825 54.261 56.100 -0.022 0.000 0.914 96 R CB 2.025 32.330 30.300 0.010 0.000 1.191 96 R HN 0.454 nan 8.270 nan 0.000 0.435 97 P HA 0.132 nan 4.420 nan 0.000 0.271 97 P C -1.177 176.117 177.300 -0.010 0.000 1.216 97 P CA -0.353 62.733 63.100 -0.023 0.000 0.776 97 P CB 1.076 32.759 31.700 -0.027 0.000 0.881 98 L N 3.249 124.471 121.223 -0.002 0.000 2.370 98 L HA 0.434 4.775 4.340 0.002 0.000 0.266 98 L C -0.088 176.783 176.870 0.001 0.000 1.002 98 L CA -0.380 54.461 54.840 0.001 0.000 0.818 98 L CB 1.616 43.679 42.059 0.007 0.000 1.325 98 L HN 0.416 nan 8.230 nan 0.000 0.418 99 D N 1.233 121.632 120.400 -0.001 0.000 2.344 99 D HA 0.403 5.044 4.640 0.002 0.000 0.239 99 D C -2.423 173.879 176.300 0.003 0.000 1.064 99 D CA -2.202 51.797 54.000 -0.002 0.000 0.829 99 D CB 1.873 42.670 40.800 -0.005 0.000 1.129 99 D HN 0.146 nan 8.370 nan 0.000 0.506 100 P HA -0.152 nan 4.420 nan 0.000 0.223 100 P C 0.602 177.912 177.300 0.017 0.000 1.144 100 P CA 1.207 64.315 63.100 0.013 0.000 0.783 100 P CB 0.255 31.957 31.700 0.004 0.000 0.771 101 K N -1.131 119.275 120.400 0.008 0.000 2.296 101 K HA -0.017 4.304 4.320 0.002 0.000 0.200 101 K C 0.930 177.533 176.600 0.005 0.000 1.048 101 K CA 0.589 56.881 56.287 0.008 0.000 0.966 101 K CB -0.581 31.920 32.500 0.002 0.000 0.754 101 K HN 0.155 nan 8.250 nan 0.000 0.466 102 D N 0.810 121.211 120.400 0.003 0.000 2.313 102 D HA 0.089 4.730 4.640 0.002 0.000 0.239 102 D C -1.906 174.394 176.300 0.001 0.000 1.142 102 D CA -2.273 51.727 54.000 -0.001 0.000 0.847 102 D CB 1.419 42.216 40.800 -0.004 0.000 1.082 102 D HN -0.179 nan 8.370 nan 0.000 0.480 103 P HA -0.156 nan 4.420 nan 0.000 0.218 103 P C 1.161 178.458 177.300 -0.005 0.000 1.152 103 P CA 1.339 64.436 63.100 -0.004 0.000 0.857 103 P CB 0.291 31.983 31.700 -0.014 0.000 0.787 104 G N -0.721 108.076 108.800 -0.006 0.000 2.395 104 G HA2 -0.175 3.786 3.960 0.002 0.000 0.214 104 G HA3 -0.175 3.786 3.960 0.002 0.000 0.214 104 G C 1.471 176.366 174.900 -0.007 0.000 1.177 104 G CA 0.375 45.472 45.100 -0.005 0.000 0.794 104 G HN 0.246 nan 8.290 nan 0.000 0.532 105 E N -0.222 119.974 120.200 -0.006 0.000 2.150 105 E HA -0.055 4.297 4.350 0.002 0.000 0.193 105 E C 2.468 179.066 176.600 -0.002 0.000 0.985 105 E CA 0.390 56.785 56.400 -0.008 0.000 0.814 105 E CB -0.043 29.654 29.700 -0.005 0.000 0.752 105 E HN 0.318 nan 8.360 nan 0.000 0.466 106 R N 0.724 121.229 120.500 0.008 0.000 2.092 106 R HA -0.123 4.218 4.340 0.002 0.000 0.231 106 R C 2.335 178.652 176.300 0.028 0.000 1.119 106 R CA 1.596 57.712 56.100 0.026 0.000 0.970 106 R CB -0.178 30.144 30.300 0.037 0.000 0.864 106 R HN 0.168 nan 8.270 nan 0.000 0.440 107 S N -0.418 115.287 115.700 0.009 0.000 2.419 107 S HA -0.068 4.403 4.470 0.002 0.000 0.233 107 S C 1.934 176.525 174.600 -0.015 0.000 1.016 107 S CA 1.257 59.456 58.200 -0.001 0.000 0.974 107 S CB -0.160 63.031 63.200 -0.015 0.000 0.786 107 S HN 0.164 nan 8.310 nan 0.000 0.492 108 V N 1.608 121.504 119.914 -0.030 0.000 2.346 108 V HA 0.032 4.153 4.120 0.002 0.000 0.244 108 V C 2.555 178.589 176.094 -0.099 0.000 1.037 108 V CA 1.488 63.747 62.300 -0.069 0.000 1.029 108 V CB -0.705 31.075 31.823 -0.073 0.000 0.663 108 V HN 0.452 nan 8.190 nan 0.000 0.454 109 L N -0.152 121.036 121.223 -0.059 0.000 2.079 109 L HA -0.191 4.151 4.340 0.002 0.000 0.210 109 L C 2.560 179.413 176.870 -0.028 0.000 1.081 109 L CA 1.649 56.455 54.840 -0.056 0.000 0.752 109 L CB -0.483 41.606 42.059 0.050 0.000 0.896 109 L HN 0.299 nan 8.230 nan 0.000 0.433 110 S N -0.683 115.049 115.700 0.054 0.000 2.428 110 S HA -0.064 4.407 4.470 0.002 0.000 0.230 110 S C 2.089 176.744 174.600 0.091 0.000 1.014 110 S CA 0.928 59.223 58.200 0.158 0.000 0.957 110 S CB -0.060 63.267 63.200 0.211 0.000 0.784 110 S HN 0.500 nan 8.310 nan 0.000 0.499 111 A N 1.235 124.045 122.820 -0.018 0.000 1.929 111 A HA 0.083 4.404 4.320 0.002 0.000 0.216 111 A C 2.023 179.538 177.584 -0.116 0.000 1.176 111 A CA 0.878 52.885 52.037 -0.050 0.000 0.628 111 A CB -0.545 18.405 19.000 -0.083 0.000 0.816 111 A HN 0.443 nan 8.150 nan 0.000 0.444 112 L N -0.652 120.402 121.223 -0.281 0.000 2.046 112 L HA -0.188 4.153 4.340 0.002 0.000 0.208 112 L C 3.101 179.815 176.870 -0.259 0.000 1.077 112 L CA 1.112 55.621 54.840 -0.550 0.000 0.747 112 L CB -0.505 40.701 42.059 -1.421 0.000 0.896 112 L HN 0.422 nan 8.230 nan 0.000 0.432 113 A N -0.060 122.768 122.820 0.012 0.000 1.877 113 A HA -0.261 4.060 4.320 0.002 0.000 0.216 113 A C 2.431 180.152 177.584 0.228 0.000 1.186 113 A CA 1.873 54.151 52.037 0.402 0.000 0.620 113 A CB -0.619 18.733 19.000 0.587 0.000 0.822 113 A HN 0.341 nan 8.150 nan 0.000 0.443 114 R N -0.942 119.658 120.500 0.167 0.000 2.083 114 R HA -0.199 4.142 4.340 0.002 0.000 0.237 114 R C 2.362 178.710 176.300 0.080 0.000 1.137 114 R CA 1.914 58.094 56.100 0.132 0.000 0.951 114 R CB -0.214 30.149 30.300 0.106 0.000 0.851 114 R HN 0.366 nan 8.270 nan 0.000 0.434 115 R N 0.512 121.038 120.500 0.044 0.000 2.152 115 R HA -0.100 4.241 4.340 0.002 0.000 0.232 115 R C 2.068 178.404 176.300 0.061 0.000 1.117 115 R CA 1.023 57.139 56.100 0.028 0.000 0.981 115 R CB -0.606 29.684 30.300 -0.016 0.000 0.870 115 R HN 0.291 nan 8.270 nan 0.000 0.451 116 L N -0.173 121.119 121.223 0.114 0.000 2.056 116 L HA -0.027 4.314 4.340 0.002 0.000 0.207 116 L C 1.874 178.777 176.870 0.055 0.000 1.078 116 L CA 1.522 56.446 54.840 0.139 0.000 0.749 116 L CB -0.720 41.491 42.059 0.253 0.000 0.901 116 L HN 0.306 nan 8.230 nan 0.000 0.433 117 L N -0.636 120.614 121.223 0.046 0.000 2.046 117 L HA -0.230 4.111 4.340 0.002 0.000 0.208 117 L C 2.485 179.364 176.870 0.015 0.000 1.077 117 L CA 1.783 56.632 54.840 0.014 0.000 0.747 117 L CB -0.756 41.325 42.059 0.037 0.000 0.896 117 L HN 0.419 nan 8.230 nan 0.000 0.432 118 Q N -0.699 119.117 119.800 0.027 0.000 2.030 118 Q HA -0.217 4.124 4.340 0.002 0.000 0.204 118 Q C 2.125 178.129 176.000 0.006 0.000 0.986 118 Q CA 1.796 57.608 55.803 0.015 0.000 0.843 118 Q CB -0.165 28.582 28.738 0.015 0.000 0.904 118 Q HN 0.537 nan 8.270 nan 0.000 0.420 119 E N 0.393 120.602 120.200 0.015 0.000 2.085 119 E HA -0.173 4.178 4.350 0.002 0.000 0.194 119 E C 1.974 178.572 176.600 -0.003 0.000 0.994 119 E CA 1.019 57.426 56.400 0.011 0.000 0.801 119 E CB -0.127 29.590 29.700 0.029 0.000 0.743 119 E HN 0.284 nan 8.360 nan 0.000 0.453 120 R N 0.166 120.660 120.500 -0.010 0.000 2.075 120 R HA 0.000 4.342 4.340 0.002 0.000 0.232 120 R C 2.645 178.928 176.300 -0.029 0.000 1.126 120 R CA 0.567 56.648 56.100 -0.032 0.000 0.963 120 R CB -0.475 29.790 30.300 -0.057 0.000 0.858 120 R HN 0.222 nan 8.270 nan 0.000 0.435 121 L N 0.271 121.484 121.223 -0.016 0.000 2.083 121 L HA -0.126 4.215 4.340 0.002 0.000 0.209 121 L C 2.769 179.634 176.870 -0.009 0.000 1.083 121 L CA 1.154 55.994 54.840 -0.000 0.000 0.752 121 L CB -0.393 41.672 42.059 0.010 0.000 0.899 121 L HN 0.174 nan 8.230 nan 0.000 0.433 122 R N 0.495 120.983 120.500 -0.020 0.000 2.189 122 R HA -0.116 4.225 4.340 0.002 0.000 0.223 122 R C 1.676 177.961 176.300 -0.025 0.000 1.092 122 R CA 0.987 57.068 56.100 -0.033 0.000 0.989 122 R CB 0.105 30.387 30.300 -0.030 0.000 0.876 122 R HN 0.253 nan 8.270 nan 0.000 0.457 123 R N -0.115 120.374 120.500 -0.017 0.000 2.388 123 R HA 0.242 4.584 4.340 0.002 0.000 0.247 123 R C -0.276 176.019 176.300 -0.008 0.000 0.931 123 R CA -0.208 55.884 56.100 -0.014 0.000 1.082 123 R CB 0.443 30.733 30.300 -0.017 0.000 1.135 123 R HN 0.091 nan 8.270 nan 0.000 0.525 124 L N 2.566 123.791 121.223 0.004 0.000 2.349 124 L HA 0.109 4.451 4.340 0.002 0.000 0.275 124 L C 0.564 177.467 176.870 0.056 0.000 1.115 124 L CA -0.289 54.569 54.840 0.030 0.000 0.820 124 L CB 0.857 42.958 42.059 0.071 0.000 1.135 124 L HN 0.284 nan 8.230 nan 0.000 0.445 125 E N 2.433 122.673 120.200 0.066 0.000 2.316 125 E HA 0.284 4.635 4.350 0.002 0.000 0.275 125 E C 0.437 177.108 176.600 0.119 0.000 1.029 125 E CA -0.352 56.094 56.400 0.076 0.000 0.871 125 E CB 0.734 30.470 29.700 0.060 0.000 1.022 125 E HN 0.777 nan 8.360 nan 0.000 0.418 126 G N 1.697 110.560 108.800 0.105 0.000 2.247 126 G HA2 -0.137 3.824 3.960 0.002 0.000 0.260 126 G HA3 -0.137 3.824 3.960 0.002 0.000 0.260 126 G C -0.360 174.637 174.900 0.163 0.000 0.852 126 G CA 0.489 45.664 45.100 0.124 0.000 1.281 126 G HN 0.703 nan 8.290 nan 0.000 0.378 127 V N 2.902 122.931 119.914 0.190 0.000 3.234 127 V HA 0.751 4.872 4.120 0.002 0.000 0.280 127 V C -1.515 174.762 176.094 0.305 0.000 1.580 127 V CA -1.193 61.253 62.300 0.245 0.000 1.032 127 V CB 1.921 33.892 31.823 0.247 0.000 1.203 127 V HN 1.035 nan 8.190 nan 0.000 0.459 128 W N 5.768 127.145 121.300 0.128 0.000 2.417 128 W HA 0.752 5.413 4.660 0.002 0.000 0.315 128 W C -1.829 174.808 176.519 0.197 0.000 1.045 128 W CA -0.574 56.858 57.345 0.145 0.000 1.221 128 W CB 1.609 31.155 29.460 0.142 0.000 1.309 128 W HN 0.484 nan 8.180 nan 0.000 0.453 129 V N 5.680 125.211 119.914 -0.639 0.000 2.417 129 V HA 0.253 4.374 4.120 0.002 0.000 0.291 129 V C -0.165 175.737 176.094 -0.319 0.000 1.024 129 V CA -0.602 61.528 62.300 -0.284 0.000 0.861 129 V CB 1.682 33.402 31.823 -0.171 0.000 0.985 129 V HN 0.587 nan 8.190 nan 0.000 0.436 130 E N 3.027 123.259 120.200 0.053 0.000 3.786 130 E HA 0.505 4.856 4.350 0.002 0.000 0.215 130 E C 0.754 177.406 176.600 0.087 0.000 1.188 130 E CA 0.599 57.062 56.400 0.106 0.000 1.248 130 E CB 0.355 30.251 29.700 0.327 0.000 1.260 130 E HN 1.019 nan 8.360 nan 0.000 0.426 131 G N 1.733 110.544 108.800 0.019 0.000 3.076 131 G HA2 -0.306 3.655 3.960 0.002 0.000 0.256 131 G HA3 -0.306 3.655 3.960 0.002 0.000 0.256 131 G C 0.444 175.362 174.900 0.030 0.000 1.589 131 G CA 0.032 45.145 45.100 0.021 0.000 1.044 131 G HN 0.348 nan 8.290 nan 0.000 0.563 132 L N 2.139 123.391 121.223 0.048 0.000 2.667 132 L HA 0.610 4.951 4.340 0.002 0.000 0.232 132 L C 1.394 178.292 176.870 0.046 0.000 1.138 132 L CA 0.578 55.448 54.840 0.050 0.000 0.921 132 L CB 0.102 42.197 42.059 0.061 0.000 1.180 132 L HN 0.755 nan 8.230 nan 0.000 0.487 133 A N 0.234 123.090 122.820 0.059 0.000 2.306 133 A HA 0.725 5.046 4.320 0.002 0.000 0.330 133 A C -0.556 177.012 177.584 -0.026 0.000 1.146 133 A CA -0.318 51.720 52.037 0.002 0.000 0.827 133 A CB 1.400 20.475 19.000 0.126 0.000 1.178 133 A HN -0.060 nan 8.150 nan 0.000 0.490 134 V N 1.049 120.828 119.914 -0.225 0.000 2.709 134 V HA 0.427 4.548 4.120 0.002 0.000 0.308 134 V C -1.616 174.241 176.094 -0.395 0.000 1.062 134 V CA -0.357 61.885 62.300 -0.096 0.000 0.901 134 V CB 1.417 33.256 31.823 0.026 0.000 1.003 134 V HN 0.769 nan 8.190 nan 0.000 0.425 135 Y N 3.724 124.162 120.300 0.231 0.000 2.363 135 Y HA 0.499 5.050 4.550 0.002 0.000 0.325 135 Y C 1.177 177.148 175.900 0.117 0.000 0.984 135 Y CA -0.743 57.456 58.100 0.165 0.000 1.248 135 Y CB 1.815 40.388 38.460 0.188 0.000 1.116 135 Y HN 0.525 nan 8.280 nan 0.000 0.470 136 R N 1.903 122.431 120.500 0.046 0.000 2.075 136 R HA 0.180 4.522 4.340 0.002 0.000 0.220 136 R C 0.003 176.292 176.300 -0.017 0.000 1.118 136 R CA 0.572 56.628 56.100 -0.073 0.000 0.986 136 R CB 0.236 30.305 30.300 -0.386 0.000 0.884 136 R HN 0.535 nan 8.270 nan 0.000 0.439 137 R N 1.087 121.601 120.500 0.024 0.000 2.725 137 R HA 0.379 4.720 4.340 0.002 0.000 0.277 137 R C -1.065 175.295 176.300 0.100 0.000 0.987 137 R CA -0.822 55.290 56.100 0.020 0.000 0.901 137 R CB 1.583 31.846 30.300 -0.063 0.000 1.207 137 R HN -0.115 nan 8.270 nan 0.000 0.463 138 E N 0.722 120.931 120.200 0.013 0.000 2.418 138 E HA 0.005 4.356 4.350 0.002 0.000 0.261 138 E C -0.335 176.238 176.600 -0.045 0.000 1.070 138 E CA 0.201 56.615 56.400 0.024 0.000 0.931 138 E CB 0.514 30.183 29.700 -0.051 0.000 0.954 138 E HN 0.614 nan 8.360 nan 0.000 0.439 139 H N -0.765 118.298 119.070 -0.013 0.000 3.680 139 H HA 0.435 4.992 4.556 0.002 0.000 0.260 139 H C -0.806 174.525 175.328 0.005 0.000 1.183 139 H CA 0.549 56.598 56.048 0.002 0.000 1.159 139 H CB 1.452 31.230 29.762 0.026 0.000 1.567 139 H HN 0.489 nan 8.280 nan 0.000 0.648 140 A N 0.239 123.100 122.820 0.068 0.000 2.549 140 A HA 0.552 4.873 4.320 0.002 0.000 0.297 140 A C -0.324 177.123 177.584 -0.227 0.000 0.983 140 A CA -0.327 51.705 52.037 -0.009 0.000 0.654 140 A CB 0.852 19.961 19.000 0.182 0.000 1.319 140 A HN 0.228 nan 8.150 nan 0.000 0.428 141 R N 0.447 120.606 120.500 -0.569 0.000 4.185 141 R HA 0.703 5.044 4.340 0.002 0.000 0.103 141 R C 0.964 176.258 176.300 -1.677 0.000 1.154 141 R CA 0.760 56.303 56.100 -0.928 0.000 0.855 141 R CB -0.419 29.599 30.300 -0.470 0.000 0.964 141 R HN 2.820 nan 8.270 nan 0.000 0.384 142 G N 1.719 109.989 108.800 -0.884 0.000 2.795 142 G HA2 -0.130 3.831 3.960 0.002 0.000 0.664 142 G HA3 -0.130 3.831 3.960 0.002 0.000 0.664 142 G C -2.602 171.976 174.900 -0.536 0.000 1.381 142 G CA -0.361 44.338 45.100 -0.667 0.000 0.853 142 G HN 0.494 nan 8.290 nan 0.000 0.545 143 P HA 0.287 nan 4.420 nan 0.000 0.260 143 P C 1.272 178.658 177.300 0.143 0.000 1.207 143 P CA 1.795 64.914 63.100 0.031 0.000 0.780 143 P CB 0.335 32.123 31.700 0.147 0.000 0.789 144 G N 2.840 111.680 108.800 0.066 0.000 2.302 144 G HA2 -0.224 3.737 3.960 0.002 0.000 0.263 144 G HA3 -0.224 3.737 3.960 0.002 0.000 0.263 144 G C 0.045 175.052 174.900 0.178 0.000 0.995 144 G CA 0.395 45.583 45.100 0.146 0.000 0.622 144 G HN 0.685 nan 8.290 nan 0.000 0.538 145 W N -0.259 121.057 121.300 0.026 0.000 2.762 145 W HA 0.869 5.530 4.660 0.002 0.000 0.355 145 W C 0.068 176.557 176.519 -0.050 0.000 1.124 145 W CA -0.918 56.408 57.345 -0.031 0.000 1.141 145 W CB 0.950 30.412 29.460 0.005 0.000 1.432 145 W HN 0.714 nan 8.180 nan 0.000 0.586 146 R N 0.727 121.321 120.500 0.157 0.000 2.808 146 R HA 0.412 4.753 4.340 0.002 0.000 0.254 146 R C -2.550 173.781 176.300 0.052 0.000 1.145 146 R CA -0.525 55.545 56.100 -0.049 0.000 1.066 146 R CB 1.232 31.427 30.300 -0.175 0.000 1.268 146 R HN 0.349 nan 8.270 nan 0.000 0.447 147 V N 5.486 125.480 119.914 0.134 0.000 2.509 147 V HA 0.459 4.580 4.120 0.002 0.000 0.284 147 V C 0.133 176.275 176.094 0.080 0.000 1.047 147 V CA -0.386 61.995 62.300 0.135 0.000 0.952 147 V CB 1.344 33.309 31.823 0.236 0.000 0.988 147 V HN 0.592 nan 8.190 nan 0.000 0.469 148 L N 3.645 124.885 121.223 0.028 0.000 2.370 148 L HA 0.828 5.170 4.340 0.002 0.000 0.266 148 L C 0.330 177.347 176.870 0.245 0.000 1.002 148 L CA -0.576 54.331 54.840 0.112 0.000 0.818 148 L CB 2.265 44.312 42.059 -0.020 0.000 1.325 148 L HN 0.736 nan 8.230 nan 0.000 0.418 149 G N -0.032 108.939 108.800 0.285 0.000 2.530 149 G HA2 0.694 4.655 3.960 0.002 0.000 0.316 149 G HA3 0.694 4.655 3.960 0.002 0.000 0.316 149 G C -0.461 174.536 174.900 0.161 0.000 1.298 149 G CA -0.004 45.204 45.100 0.180 0.000 0.948 149 G HN 0.838 nan 8.290 nan 0.000 0.486 150 G N -0.136 108.673 108.800 0.014 0.000 3.008 150 G HA2 0.859 4.820 3.960 0.002 0.000 0.148 150 G HA3 0.859 4.820 3.960 0.002 0.000 0.148 150 G C -1.094 173.669 174.900 -0.229 0.000 1.184 150 G CA 0.340 45.305 45.100 -0.225 0.000 1.087 150 G HN 1.787 nan 8.290 nan 0.000 0.602 151 A N -0.871 121.751 122.820 -0.330 0.000 2.577 151 A HA 0.671 4.992 4.320 0.002 0.000 0.297 151 A C -0.611 176.879 177.584 -0.156 0.000 1.060 151 A CA 0.032 51.972 52.037 -0.161 0.000 0.697 151 A CB 1.128 20.100 19.000 -0.048 0.000 1.281 151 A HN 2.017 nan 8.150 nan 0.000 0.402 152 V N 0.560 120.441 119.914 -0.054 0.000 2.583 152 V HA 0.762 4.883 4.120 0.002 0.000 0.287 152 V C -0.038 176.084 176.094 0.047 0.000 1.051 152 V CA -0.303 61.998 62.300 0.001 0.000 1.010 152 V CB 0.142 31.992 31.823 0.046 0.000 0.988 152 V HN 0.717 nan 8.190 nan 0.000 0.478 153 L N 2.896 124.156 121.223 0.062 0.000 2.256 153 L HA 0.847 5.188 4.340 0.002 0.000 0.261 153 L C -0.719 176.237 176.870 0.142 0.000 1.022 153 L CA -0.621 54.279 54.840 0.101 0.000 0.828 153 L CB 2.127 44.231 42.059 0.075 0.000 1.374 153 L HN 0.653 nan 8.230 nan 0.000 0.436 154 D N 0.637 121.158 120.400 0.201 0.000 2.736 154 D HA 0.602 5.243 4.640 0.002 0.000 0.223 154 D C -1.985 174.499 176.300 0.308 0.000 1.231 154 D CA -0.305 53.873 54.000 0.298 0.000 0.818 154 D CB 2.820 43.861 40.800 0.402 0.000 1.587 154 D HN 0.279 nan 8.370 nan 0.000 0.463 155 L N 4.414 125.846 121.223 0.348 0.000 2.482 155 L HA 0.705 5.046 4.340 0.002 0.000 0.269 155 L C -1.640 175.447 176.870 0.362 0.000 0.967 155 L CA -0.343 54.602 54.840 0.175 0.000 0.851 155 L CB 0.896 43.012 42.059 0.094 0.000 1.242 155 L HN 0.415 nan 8.230 nan 0.000 0.404 156 W N 3.563 124.994 121.300 0.219 0.000 3.039 156 W HA 0.834 5.495 4.660 0.002 0.000 0.354 156 W C -1.461 175.183 176.519 0.207 0.000 1.206 156 W CA -1.101 56.363 57.345 0.198 0.000 1.134 156 W CB 0.544 30.072 29.460 0.112 0.000 1.493 156 W HN 0.218 nan 8.180 nan 0.000 0.591 157 V N 1.849 121.969 119.914 0.344 0.000 2.732 157 V HA 0.504 4.625 4.120 0.002 0.000 0.310 157 V C 0.500 176.724 176.094 0.216 0.000 1.053 157 V CA -0.550 61.822 62.300 0.121 0.000 0.957 157 V CB 1.358 33.199 31.823 0.031 0.000 1.018 157 V HN 0.623 nan 8.190 nan 0.000 0.452 158 S N 0.583 116.341 115.700 0.096 0.000 2.758 158 S HA 0.328 4.800 4.470 0.002 0.000 0.292 158 S C 0.560 175.210 174.600 0.083 0.000 1.131 158 S CA -0.108 58.176 58.200 0.140 0.000 0.997 158 S CB 1.297 64.548 63.200 0.085 0.000 1.111 158 S HN 0.835 nan 8.310 nan 0.000 0.552 159 D N 0.162 120.612 120.400 0.083 0.000 2.371 159 D HA -0.005 4.636 4.640 0.002 0.000 0.221 159 D C 1.228 177.545 176.300 0.027 0.000 0.986 159 D CA 0.718 54.748 54.000 0.050 0.000 0.899 159 D CB -0.487 40.343 40.800 0.051 0.000 0.902 159 D HN 0.333 nan 8.370 nan 0.000 0.530 160 S N -0.810 114.904 115.700 0.023 0.000 2.478 160 S HA 0.344 4.815 4.470 0.002 0.000 0.222 160 S C 1.667 176.256 174.600 -0.018 0.000 1.008 160 S CA 0.303 58.505 58.200 0.004 0.000 0.928 160 S CB 0.300 63.503 63.200 0.006 0.000 0.781 160 S HN 0.648 nan 8.310 nan 0.000 0.518 161 G N 1.169 109.952 108.800 -0.028 0.000 2.140 161 G HA2 0.024 3.985 3.960 0.002 0.000 0.211 161 G HA3 0.024 3.985 3.960 0.002 0.000 0.211 161 G C -0.120 174.699 174.900 -0.135 0.000 1.013 161 G CA -0.078 44.980 45.100 -0.071 0.000 0.705 161 G HN 0.844 nan 8.290 nan 0.000 0.508 162 A N -0.675 122.067 122.820 -0.131 0.000 2.423 162 A HA 0.883 5.204 4.320 0.002 0.000 0.304 162 A C -0.171 177.306 177.584 -0.178 0.000 1.104 162 A CA -0.907 51.032 52.037 -0.164 0.000 0.757 162 A CB 1.052 20.017 19.000 -0.058 0.000 1.313 162 A HN 0.673 nan 8.150 nan 0.000 0.423 163 F N 0.199 120.120 119.950 -0.048 0.000 2.518 163 F HA 0.381 4.909 4.527 0.002 0.000 0.359 163 F C 0.234 175.915 175.800 -0.198 0.000 1.118 163 F CA 0.430 58.376 58.000 -0.090 0.000 1.287 163 F CB 0.672 39.636 39.000 -0.060 0.000 1.132 163 F HN 0.326 nan 8.300 nan 0.000 0.587 164 L N 4.438 125.544 121.223 -0.195 0.000 2.381 164 L HA 0.533 4.874 4.340 0.002 0.000 0.274 164 L C -1.321 175.209 176.870 -0.567 0.000 0.988 164 L CA -0.679 53.856 54.840 -0.509 0.000 0.824 164 L CB 1.725 43.147 42.059 -1.061 0.000 1.263 164 L HN 0.510 nan 8.230 nan 0.000 0.410 165 L N 3.993 125.090 121.223 -0.211 0.000 2.313 165 L HA 0.568 4.910 4.340 0.002 0.000 0.283 165 L C -0.488 176.476 176.870 0.156 0.000 1.013 165 L CA 0.113 54.928 54.840 -0.041 0.000 0.816 165 L CB 1.375 43.446 42.059 0.019 0.000 1.236 165 L HN 0.643 nan 8.230 nan 0.000 0.419 166 E N 3.996 124.334 120.200 0.229 0.000 2.204 166 E HA 0.606 4.957 4.350 0.002 0.000 0.276 166 E C -1.774 174.994 176.600 0.280 0.000 0.974 166 E CA -0.615 55.990 56.400 0.341 0.000 0.815 166 E CB 1.902 31.866 29.700 0.440 0.000 1.119 166 E HN 0.542 nan 8.360 nan 0.000 0.393 167 V N 3.513 123.615 119.914 0.313 0.000 2.668 167 V HA 0.288 4.409 4.120 0.002 0.000 0.304 167 V C -1.138 175.092 176.094 0.226 0.000 1.071 167 V CA -0.884 61.551 62.300 0.225 0.000 0.894 167 V CB 2.020 33.947 31.823 0.173 0.000 1.008 167 V HN 0.661 nan 8.190 nan 0.000 0.425 168 D N 5.094 125.590 120.400 0.160 0.000 2.616 168 D HA 0.494 5.135 4.640 0.002 0.000 0.238 168 D C -2.959 173.405 176.300 0.107 0.000 1.354 168 D CA -1.538 52.558 54.000 0.161 0.000 0.970 168 D CB 3.193 44.091 40.800 0.164 0.000 1.369 168 D HN 0.211 nan 8.370 nan 0.000 0.585 169 P HA 0.351 nan 4.420 nan 0.000 0.265 169 P C -1.178 176.182 177.300 0.101 0.000 1.187 169 P CA 0.062 63.207 63.100 0.075 0.000 0.766 169 P CB 0.898 32.650 31.700 0.086 0.000 0.820 170 A N 2.896 125.769 122.820 0.089 0.000 2.602 170 A HA 0.772 5.093 4.320 0.002 0.000 0.290 170 A C -1.777 175.968 177.584 0.268 0.000 1.114 170 A CA -0.522 51.602 52.037 0.145 0.000 0.683 170 A CB 1.130 20.180 19.000 0.083 0.000 1.281 170 A HN 0.527 nan 8.150 nan 0.000 0.416 171 Y N -1.293 119.128 120.300 0.202 0.000 2.545 171 Y HA 0.931 5.483 4.550 0.002 0.000 0.348 171 Y C -0.570 175.392 175.900 0.103 0.000 1.002 171 Y CA -1.460 56.743 58.100 0.171 0.000 1.039 171 Y CB 1.434 39.884 38.460 -0.018 0.000 1.271 171 Y HN 0.693 nan 8.280 nan 0.000 0.467 172 R N 2.467 122.873 120.500 -0.157 0.000 2.575 172 R HA 0.617 4.958 4.340 0.002 0.000 0.293 172 R C -1.921 174.220 176.300 -0.265 0.000 0.983 172 R CA -0.802 55.005 56.100 -0.488 0.000 0.887 172 R CB 1.230 30.796 30.300 -1.223 0.000 1.184 172 R HN 0.913 nan 8.270 nan 0.000 0.445 173 I N 6.102 126.577 120.570 -0.158 0.000 2.297 173 I HA 0.281 4.453 4.170 0.002 0.000 0.291 173 I C -0.203 175.815 176.117 -0.166 0.000 1.033 173 I CA -0.435 60.825 61.300 -0.068 0.000 1.253 173 I CB 0.721 38.718 38.000 -0.005 0.000 1.396 173 I HN 0.335 nan 8.210 nan 0.000 0.476 174 L N 5.744 126.848 121.223 -0.199 0.000 2.334 174 L HA 0.438 4.780 4.340 0.002 0.000 0.275 174 L C -0.288 176.495 176.870 -0.145 0.000 1.036 174 L CA -0.583 54.106 54.840 -0.251 0.000 0.807 174 L CB 2.095 43.880 42.059 -0.457 0.000 1.231 174 L HN 0.625 nan 8.230 nan 0.000 0.438 175 C N 2.154 121.348 119.300 -0.177 0.000 2.295 175 C HA 0.210 4.671 4.460 0.002 0.000 0.331 175 C C 1.303 176.229 174.990 -0.106 0.000 1.280 175 C CA -0.438 58.478 59.018 -0.170 0.000 1.746 175 C CB 0.228 27.749 27.740 -0.365 0.000 2.328 175 C HN 0.896 nan 8.230 nan 0.000 0.521 176 E N 3.950 124.128 120.200 -0.037 0.000 2.476 176 E HA 0.069 4.420 4.350 0.002 0.000 0.191 176 E C 0.325 176.935 176.600 0.017 0.000 1.064 176 E CA 0.355 56.746 56.400 -0.014 0.000 0.866 176 E CB 0.159 29.854 29.700 -0.008 0.000 0.952 176 E HN 0.814 nan 8.360 nan 0.000 0.492 177 M N -2.264 117.345 119.600 0.015 0.000 2.779 177 M HA 0.434 4.915 4.480 0.002 0.000 0.277 177 M C -0.112 176.197 176.300 0.016 0.000 1.284 177 M CA -1.153 54.175 55.300 0.047 0.000 0.801 177 M CB 1.494 34.167 32.600 0.121 0.000 1.712 177 M HN -0.176 nan 8.290 nan 0.000 0.453 178 S N 0.512 116.239 115.700 0.044 0.000 2.600 178 S HA 0.239 4.710 4.470 0.002 0.000 0.265 178 S C 0.768 175.400 174.600 0.053 0.000 1.325 178 S CA -0.875 57.340 58.200 0.025 0.000 1.002 178 S CB 0.823 64.045 63.200 0.036 0.000 0.921 178 S HN 0.870 nan 8.310 nan 0.000 0.554 179 L N 0.316 121.546 121.223 0.013 0.000 2.201 179 L HA -0.042 4.299 4.340 0.002 0.000 0.212 179 L C 2.476 179.420 176.870 0.123 0.000 1.105 179 L CA 2.125 56.997 54.840 0.053 0.000 0.775 179 L CB -0.771 41.275 42.059 -0.021 0.000 0.913 179 L HN 0.972 nan 8.230 nan 0.000 0.440 180 E N 0.478 120.727 120.200 0.081 0.000 2.028 180 E HA -0.145 4.206 4.350 0.002 0.000 0.190 180 E C 2.060 178.729 176.600 0.116 0.000 0.984 180 E CA 1.713 58.161 56.400 0.080 0.000 0.800 180 E CB -0.165 29.564 29.700 0.049 0.000 0.758 180 E HN 0.421 nan 8.360 nan 0.000 0.448 181 A N 0.158 123.055 122.820 0.129 0.000 1.851 181 A HA -0.187 4.134 4.320 0.002 0.000 0.216 181 A C 2.237 179.958 177.584 0.229 0.000 1.195 181 A CA 1.735 53.862 52.037 0.150 0.000 0.622 181 A CB -1.550 17.536 19.000 0.143 0.000 0.831 181 A HN 0.572 nan 8.150 nan 0.000 0.444 182 W N 0.358 121.694 121.300 0.060 0.000 2.321 182 W HA -0.184 4.477 4.660 0.002 0.000 0.306 182 W C 2.005 178.627 176.519 0.171 0.000 1.217 182 W CA 2.087 59.495 57.345 0.103 0.000 1.257 182 W CB -0.362 29.094 29.460 -0.007 0.000 1.145 182 W HN 0.286 nan 8.180 nan 0.000 0.509 183 L N -0.550 120.847 121.223 0.291 0.000 2.156 183 L HA -0.107 4.235 4.340 0.002 0.000 0.208 183 L C 2.611 179.511 176.870 0.049 0.000 1.095 183 L CA 1.003 55.927 54.840 0.139 0.000 0.770 183 L CB -1.185 40.963 42.059 0.148 0.000 0.914 183 L HN 0.001 nan 8.230 nan 0.000 0.439 184 A N -0.237 122.623 122.820 0.067 0.000 1.902 184 A HA -0.245 4.076 4.320 0.002 0.000 0.217 184 A C 2.020 179.596 177.584 -0.012 0.000 1.181 184 A CA 1.367 53.422 52.037 0.030 0.000 0.623 184 A CB -0.451 18.576 19.000 0.045 0.000 0.818 184 A HN 0.475 nan 8.150 nan 0.000 0.443 185 Q N -1.250 118.542 119.800 -0.013 0.000 2.491 185 Q HA 0.266 4.607 4.340 0.002 0.000 0.214 185 Q C 1.134 176.978 176.000 -0.259 0.000 0.970 185 Q CA 0.380 56.129 55.803 -0.089 0.000 0.960 185 Q CB -0.175 28.552 28.738 -0.019 0.000 0.996 185 Q HN 0.899 nan 8.270 nan 0.000 0.524 186 G N 0.187 108.856 108.800 -0.217 0.000 2.199 186 G HA2 -0.287 3.674 3.960 0.002 0.000 0.254 186 G HA3 -0.287 3.674 3.960 0.002 0.000 0.254 186 G C -0.217 174.454 174.900 -0.381 0.000 0.982 186 G CA -0.015 44.921 45.100 -0.273 0.000 0.632 186 G HN 0.524 nan 8.290 nan 0.000 0.529 187 H N 2.857 121.622 119.070 -0.508 0.000 2.815 187 H HA 0.399 4.956 4.556 0.002 0.000 0.350 187 H C -1.302 173.740 175.328 -0.476 0.000 1.080 187 H CA 0.009 55.584 56.048 -0.788 0.000 1.433 187 H CB 0.599 29.131 29.762 -2.050 0.000 1.432 187 H HN 0.292 nan 8.280 nan 0.000 0.592 188 P HA -0.063 nan 4.420 nan 0.000 0.272 188 P C -0.356 177.059 177.300 0.192 0.000 1.254 188 P CA -0.490 62.620 63.100 0.018 0.000 0.795 188 P CB 0.919 32.638 31.700 0.032 0.000 1.022 189 L N 2.880 124.199 121.223 0.160 0.000 2.369 189 L HA 0.244 4.586 4.340 0.002 0.000 0.279 189 L C -1.592 175.383 176.870 0.175 0.000 1.108 189 L CA -1.445 53.502 54.840 0.179 0.000 0.852 189 L CB -0.408 41.716 42.059 0.109 0.000 1.169 189 L HN 0.333 nan 8.230 nan 0.000 0.452 190 P HA 0.219 nan 4.420 nan 0.000 0.274 190 P C 0.051 177.377 177.300 0.042 0.000 1.246 190 P CA -0.271 62.875 63.100 0.076 0.000 0.795 190 P CB 0.712 32.378 31.700 -0.058 0.000 1.006 191 K N 1.002 121.414 120.400 0.021 0.000 2.076 191 K HA -0.009 4.312 4.320 0.002 0.000 0.204 191 K C 1.373 177.990 176.600 0.028 0.000 1.051 191 K CA 1.196 57.500 56.287 0.028 0.000 0.949 191 K CB -0.321 32.192 32.500 0.022 0.000 0.726 191 K HN 0.426 nan 8.250 nan 0.000 0.443 192 R N -1.212 119.290 120.500 0.003 0.000 2.686 192 R HA 0.628 4.970 4.340 0.002 0.000 0.286 192 R C -1.506 174.788 176.300 -0.010 0.000 0.969 192 R CA -0.504 55.606 56.100 0.017 0.000 0.898 192 R CB 2.404 32.704 30.300 -0.001 0.000 1.183 192 R HN 0.129 nan 8.270 nan 0.000 0.456 193 V N 2.592 122.533 119.914 0.044 0.000 2.914 193 V HA 0.632 4.753 4.120 0.002 0.000 0.314 193 V C -0.340 175.803 176.094 0.082 0.000 1.084 193 V CA -0.963 61.343 62.300 0.010 0.000 0.963 193 V CB 2.043 33.850 31.823 -0.026 0.000 1.025 193 V HN 0.568 nan 8.190 nan 0.000 0.432 194 R N 1.697 122.196 120.500 -0.002 0.000 2.778 194 R HA 0.458 4.799 4.340 0.002 0.000 0.277 194 R C -0.775 175.500 176.300 -0.041 0.000 0.977 194 R CA -0.772 55.325 56.100 -0.004 0.000 0.950 194 R CB 1.705 31.969 30.300 -0.060 0.000 1.165 194 R HN 0.764 nan 8.270 nan 0.000 0.474 195 N N 0.615 119.280 118.700 -0.058 0.000 2.482 195 N HA 0.080 4.821 4.740 0.002 0.000 0.260 195 N C 0.469 175.777 175.510 -0.335 0.000 1.236 195 N CA 0.290 53.166 53.050 -0.290 0.000 0.938 195 N CB 1.451 39.620 38.487 -0.531 0.000 1.128 195 N HN 0.672 nan 8.380 nan 0.000 0.448 196 A N 1.736 124.339 122.820 -0.361 0.000 1.975 196 A HA -0.096 4.225 4.320 0.002 0.000 0.215 196 A C 1.311 178.849 177.584 -0.076 0.000 1.170 196 A CA 0.832 52.787 52.037 -0.136 0.000 0.656 196 A CB -0.685 18.306 19.000 -0.015 0.000 0.821 196 A HN 0.794 nan 8.150 nan 0.000 0.449 197 Y N 0.406 120.760 120.300 0.089 0.000 2.583 197 Y HA 0.368 4.920 4.550 0.002 0.000 0.293 197 Y C 0.176 176.122 175.900 0.076 0.000 1.157 197 Y CA -0.484 57.665 58.100 0.082 0.000 1.315 197 Y CB -0.592 37.926 38.460 0.098 0.000 1.021 197 Y HN 0.475 nan 8.280 nan 0.000 0.536 198 D N -2.362 118.003 120.400 -0.058 0.000 2.713 198 D HA 0.364 5.005 4.640 0.002 0.000 0.306 198 D C 0.573 176.836 176.300 -0.062 0.000 1.299 198 D CA -0.470 53.536 54.000 0.010 0.000 0.823 198 D CB 0.616 41.484 40.800 0.113 0.000 1.353 198 D HN -0.107 nan 8.370 nan 0.000 0.447 199 R N -0.397 120.080 120.500 -0.038 0.000 2.320 199 R HA 0.245 4.586 4.340 0.002 0.000 0.211 199 R C 0.993 177.236 176.300 -0.095 0.000 0.931 199 R CA 0.406 56.473 56.100 -0.055 0.000 1.071 199 R CB -0.878 29.401 30.300 -0.035 0.000 1.025 199 R HN 0.499 nan 8.270 nan 0.000 0.495 200 R N 1.588 122.014 120.500 -0.122 0.000 2.537 200 R HA 0.128 4.470 4.340 0.002 0.000 0.280 200 R C 0.049 176.158 176.300 -0.319 0.000 1.058 200 R CA 0.906 56.857 56.100 -0.247 0.000 1.057 200 R CB 0.578 30.699 30.300 -0.298 0.000 0.973 200 R HN 0.451 nan 8.270 nan 0.000 0.438 201 T N 0.596 114.911 114.554 -0.398 0.000 2.949 201 T HA 0.695 5.047 4.350 0.002 0.000 0.287 201 T C -0.803 173.636 174.700 -0.434 0.000 1.034 201 T CA -0.759 61.180 62.100 -0.269 0.000 1.018 201 T CB 1.034 69.825 68.868 -0.128 0.000 1.135 201 T HN 0.660 nan 8.240 nan 0.000 0.532 202 W N -1.071 120.211 121.300 -0.030 0.000 2.988 202 W HA 0.564 5.225 4.660 0.002 0.000 0.355 202 W C -0.741 175.771 176.519 -0.011 0.000 1.233 202 W CA -0.926 56.416 57.345 -0.004 0.000 1.176 202 W CB 1.195 30.663 29.460 0.014 0.000 1.477 202 W HN 0.853 nan 8.180 nan 0.000 0.582 203 E N 1.855 122.236 120.200 0.301 0.000 2.134 203 E HA 0.360 4.712 4.350 0.002 0.000 0.278 203 E C -1.172 175.515 176.600 0.144 0.000 0.959 203 E CA -0.543 55.956 56.400 0.166 0.000 0.783 203 E CB 0.976 30.759 29.700 0.138 0.000 1.095 203 E HN 0.501 nan 8.360 nan 0.000 0.399 204 L N 6.716 127.996 121.223 0.095 0.000 2.290 204 L HA 0.188 4.530 4.340 0.002 0.000 0.284 204 L C 0.498 177.416 176.870 0.080 0.000 1.078 204 L CA -0.156 54.725 54.840 0.067 0.000 0.815 204 L CB 0.662 42.746 42.059 0.042 0.000 1.162 204 L HN 0.822 nan 8.230 nan 0.000 0.435 205 L N 4.703 125.985 121.223 0.098 0.000 2.262 205 L HA 0.242 4.583 4.340 0.002 0.000 0.197 205 L C 0.512 177.445 176.870 0.104 0.000 1.073 205 L CA 0.191 55.092 54.840 0.102 0.000 0.800 205 L CB -0.048 42.084 42.059 0.122 0.000 0.987 205 L HN 0.672 nan 8.230 nan 0.000 0.470 206 R N -1.652 118.933 120.500 0.142 0.000 2.789 206 R HA 0.497 4.839 4.340 0.002 0.000 0.279 206 R C -1.761 174.652 176.300 0.187 0.000 1.010 206 R CA -0.968 55.217 56.100 0.142 0.000 0.855 206 R CB 1.085 31.461 30.300 0.126 0.000 1.312 206 R HN -0.271 nan 8.270 nan 0.000 0.479 207 L N -0.214 121.108 121.223 0.163 0.000 2.400 207 L HA 0.816 5.157 4.340 0.002 0.000 0.264 207 L C 0.210 177.239 176.870 0.266 0.000 1.061 207 L CA 0.247 55.180 54.840 0.154 0.000 0.799 207 L CB 1.826 43.942 42.059 0.094 0.000 1.240 207 L HN 0.883 nan 8.230 nan 0.000 0.461 208 G N -0.551 108.390 108.800 0.235 0.000 2.612 208 G HA2 0.509 4.470 3.960 0.002 0.000 0.298 208 G HA3 0.509 4.470 3.960 0.002 0.000 0.298 208 G C -0.244 174.768 174.900 0.186 0.000 1.336 208 G CA -0.188 45.118 45.100 0.344 0.000 0.953 208 G HN 0.632 nan 8.290 nan 0.000 0.482 209 E N -0.020 120.283 120.200 0.171 0.000 2.385 209 E HA 0.003 4.354 4.350 0.002 0.000 0.194 209 E C 0.791 177.451 176.600 0.100 0.000 1.013 209 E CA 0.076 56.540 56.400 0.106 0.000 0.866 209 E CB -0.041 29.707 29.700 0.080 0.000 0.832 209 E HN 0.591 nan 8.360 nan 0.000 0.500 210 E N 2.726 123.012 120.200 0.143 0.000 2.437 210 E HA -0.044 4.307 4.350 0.002 0.000 0.263 210 E C -0.464 176.175 176.600 0.065 0.000 1.030 210 E CA -0.033 56.436 56.400 0.116 0.000 0.934 210 E CB 0.169 29.976 29.700 0.178 0.000 0.943 210 E HN 0.236 nan 8.360 nan 0.000 0.444 211 D N 2.561 122.991 120.400 0.049 0.000 2.325 211 D HA 0.071 4.712 4.640 0.002 0.000 0.251 211 D C -1.652 174.660 176.300 0.019 0.000 1.196 211 D CA -2.432 51.586 54.000 0.030 0.000 0.866 211 D CB 1.071 41.888 40.800 0.029 0.000 1.101 211 D HN 0.101 nan 8.370 nan 0.000 0.476 212 P HA -0.301 nan 4.420 nan 0.000 0.216 212 P C 1.128 178.435 177.300 0.012 0.000 1.157 212 P CA 1.660 64.757 63.100 -0.004 0.000 0.880 212 P CB 0.115 31.815 31.700 -0.001 0.000 0.791 213 K N -0.219 120.191 120.400 0.017 0.000 2.173 213 K HA -0.157 4.164 4.320 0.002 0.000 0.207 213 K C 1.344 177.956 176.600 0.019 0.000 1.046 213 K CA 1.299 57.598 56.287 0.020 0.000 0.929 213 K CB -0.506 32.005 32.500 0.018 0.000 0.720 213 K HN 0.230 nan 8.250 nan 0.000 0.453 214 E N 0.533 120.745 120.200 0.020 0.000 2.630 214 E HA 0.102 4.454 4.350 0.002 0.000 0.218 214 E C -0.440 176.176 176.600 0.026 0.000 0.977 214 E CA -0.339 56.075 56.400 0.022 0.000 1.038 214 E CB 0.434 30.149 29.700 0.024 0.000 1.051 214 E HN 0.112 nan 8.360 nan 0.000 0.487 215 L N 4.224 125.461 121.223 0.024 0.000 2.313 215 L HA 0.250 4.591 4.340 0.002 0.000 0.282 215 L C -2.518 174.362 176.870 0.015 0.000 1.092 215 L CA -1.703 53.156 54.840 0.032 0.000 0.831 215 L CB 0.512 42.581 42.059 0.017 0.000 1.159 215 L HN -0.221 nan 8.230 nan 0.000 0.442 216 P HA 0.196 nan 4.420 nan 0.000 0.296 216 P C -0.963 176.333 177.300 -0.005 0.000 1.306 216 P CA -0.693 62.412 63.100 0.009 0.000 0.818 216 P CB 1.550 33.259 31.700 0.016 0.000 0.969 217 L N 7.268 128.466 121.223 -0.041 0.000 2.436 217 L HA 0.258 4.599 4.340 0.002 0.000 0.265 217 L C -0.953 175.891 176.870 -0.043 0.000 1.168 217 L CA -1.880 52.914 54.840 -0.078 0.000 0.815 217 L CB -0.908 41.054 42.059 -0.162 0.000 1.109 217 L HN 0.301 nan 8.230 nan 0.000 0.462 218 P HA -0.256 nan 4.420 nan 0.000 0.221 218 P C 1.098 178.390 177.300 -0.012 0.000 1.107 218 P CA 2.087 65.175 63.100 -0.019 0.000 0.986 218 P CB 0.060 31.746 31.700 -0.024 0.000 0.774 219 G N -3.047 105.743 108.800 -0.016 0.000 2.882 219 G HA2 0.223 4.184 3.960 0.002 0.000 0.206 219 G HA3 0.223 4.184 3.960 0.002 0.000 0.206 219 G C 1.065 175.962 174.900 -0.004 0.000 1.155 219 G CA 0.777 45.873 45.100 -0.007 0.000 0.800 219 G HN 0.636 nan 8.290 nan 0.000 0.524 220 G N -1.120 107.677 108.800 -0.005 0.000 2.238 220 G HA2 -0.203 3.758 3.960 0.002 0.000 0.217 220 G HA3 -0.203 3.758 3.960 0.002 0.000 0.217 220 G C 0.334 175.234 174.900 0.000 0.000 0.996 220 G CA 0.039 45.139 45.100 -0.000 0.000 0.632 220 G HN 0.645 nan 8.290 nan 0.000 0.503 221 L N 3.231 124.453 121.223 -0.001 0.000 2.453 221 L HA 0.621 4.962 4.340 0.002 0.000 0.272 221 L C 1.247 178.118 176.870 0.002 0.000 1.182 221 L CA 0.310 55.155 54.840 0.008 0.000 0.858 221 L CB 0.824 42.898 42.059 0.026 0.000 1.120 221 L HN 0.790 nan 8.230 nan 0.000 0.474 222 S N 5.521 121.229 115.700 0.013 0.000 2.579 222 S HA 0.061 4.532 4.470 0.002 0.000 0.275 222 S C 1.101 175.710 174.600 0.014 0.000 1.345 222 S CA -0.466 57.741 58.200 0.011 0.000 1.031 222 S CB 0.617 63.828 63.200 0.019 0.000 0.892 222 S HN 0.823 nan 8.310 nan 0.000 0.529 223 L N 1.683 122.903 121.223 -0.005 0.000 2.201 223 L HA 0.009 4.350 4.340 0.002 0.000 0.212 223 L C 1.826 178.752 176.870 0.093 0.000 1.105 223 L CA 1.621 56.453 54.840 -0.013 0.000 0.775 223 L CB -1.072 40.949 42.059 -0.064 0.000 0.913 223 L HN 0.878 nan 8.230 nan 0.000 0.440 224 L N 0.349 121.617 121.223 0.075 0.000 2.023 224 L HA -0.121 4.220 4.340 0.002 0.000 0.205 224 L C 2.135 179.059 176.870 0.091 0.000 1.073 224 L CA 1.744 56.643 54.840 0.097 0.000 0.745 224 L CB -0.753 41.338 42.059 0.054 0.000 0.900 224 L HN 0.156 nan 8.230 nan 0.000 0.435 225 D N -1.379 119.055 120.400 0.057 0.000 2.221 225 D HA -0.260 4.382 4.640 0.002 0.000 0.204 225 D C 1.907 178.217 176.300 0.017 0.000 0.982 225 D CA 1.414 55.433 54.000 0.031 0.000 0.857 225 D CB -0.236 40.577 40.800 0.022 0.000 0.934 225 D HN 0.490 nan 8.370 nan 0.000 0.475 226 Y N 1.470 121.704 120.300 -0.110 0.000 2.070 226 Y HA -0.277 4.274 4.550 0.002 0.000 0.280 226 Y C 2.465 178.217 175.900 -0.247 0.000 1.148 226 Y CA 1.895 59.867 58.100 -0.213 0.000 1.125 226 Y CB -0.324 37.937 38.460 -0.332 0.000 0.975 226 Y HN 0.126 nan 8.280 nan 0.000 0.492 227 H N -0.600 118.418 119.070 -0.087 0.000 2.333 227 H HA 0.001 4.558 4.556 0.002 0.000 0.302 227 H C 2.414 177.637 175.328 -0.175 0.000 1.075 227 H CA 1.107 57.026 56.048 -0.215 0.000 1.348 227 H CB -0.871 28.847 29.762 -0.074 0.000 1.393 227 H HN 0.492 nan 8.280 nan 0.000 0.509 228 A N 0.879 123.724 122.820 0.041 0.000 1.915 228 A HA -0.276 4.046 4.320 0.002 0.000 0.220 228 A C 2.743 180.299 177.584 -0.047 0.000 1.198 228 A CA 2.522 54.560 52.037 0.002 0.000 0.647 228 A CB -1.027 17.982 19.000 0.014 0.000 0.825 228 A HN 0.423 nan 8.150 nan 0.000 0.456 229 S N -0.885 114.767 115.700 -0.081 0.000 2.399 229 S HA -0.115 4.356 4.470 0.002 0.000 0.231 229 S C 1.506 176.028 174.600 -0.130 0.000 1.022 229 S CA 1.344 59.485 58.200 -0.097 0.000 0.983 229 S CB -0.264 62.872 63.200 -0.107 0.000 0.803 229 S HN 0.441 nan 8.310 nan 0.000 0.480 230 K N 0.940 121.221 120.400 -0.197 0.000 2.591 230 K HA 0.179 4.500 4.320 0.002 0.000 0.197 230 K C 1.292 177.809 176.600 -0.139 0.000 1.026 230 K CA 0.580 56.741 56.287 -0.211 0.000 1.127 230 K CB -0.956 31.334 32.500 -0.351 0.000 0.871 230 K HN 0.504 nan 8.250 nan 0.000 0.507 231 G N 1.880 110.626 108.800 -0.091 0.000 2.212 231 G HA2 -0.376 3.585 3.960 0.002 0.000 0.267 231 G HA3 -0.376 3.585 3.960 0.002 0.000 0.267 231 G C 0.932 175.808 174.900 -0.040 0.000 1.002 231 G CA 0.827 45.895 45.100 -0.052 0.000 0.729 231 G HN 0.432 nan 8.290 nan 0.000 0.517 232 R N -1.266 119.195 120.500 -0.064 0.000 2.275 232 R HA 0.308 4.650 4.340 0.002 0.000 0.199 232 R C 2.332 178.641 176.300 0.014 0.000 0.989 232 R CA 0.658 56.734 56.100 -0.040 0.000 1.016 232 R CB -0.055 30.152 30.300 -0.155 0.000 0.918 232 R HN 0.402 nan 8.270 nan 0.000 0.473 233 L N 0.801 122.028 121.223 0.007 0.000 2.307 233 L HA 0.030 4.371 4.340 0.002 0.000 0.211 233 L C 1.078 177.960 176.870 0.020 0.000 1.099 233 L CA 0.912 55.764 54.840 0.020 0.000 0.816 233 L CB -0.477 41.594 42.059 0.020 0.000 0.952 233 L HN 0.113 nan 8.230 nan 0.000 0.455 234 Q N 0.486 120.294 119.800 0.013 0.000 2.339 234 Q HA 0.353 4.695 4.340 0.002 0.000 0.308 234 Q C 1.183 177.196 176.000 0.023 0.000 1.097 234 Q CA 0.612 56.424 55.803 0.014 0.000 1.007 234 Q CB -1.526 27.217 28.738 0.008 0.000 1.051 234 Q HN 0.742 nan 8.270 nan 0.000 0.381 235 G N -0.470 108.344 108.800 0.022 0.000 2.137 235 G HA2 0.243 4.204 3.960 0.002 0.000 0.237 235 G HA3 0.243 4.204 3.960 0.002 0.000 0.237 235 G C 0.320 175.238 174.900 0.031 0.000 1.002 235 G CA 1.005 46.120 45.100 0.026 0.000 0.702 235 G HN 1.965 nan 8.290 nan 0.000 0.515 236 R N -0.858 119.660 120.500 0.030 0.000 2.962 236 R HA 0.960 5.301 4.340 0.002 0.000 0.256 236 R C -0.515 175.801 176.300 0.028 0.000 1.199 236 R CA 0.193 56.312 56.100 0.033 0.000 1.012 236 R CB 0.758 31.082 30.300 0.040 0.000 1.289 236 R HN 0.941 nan 8.270 nan 0.000 0.462 237 E N 0.054 120.271 120.200 0.027 0.000 2.246 237 E HA 0.384 4.735 4.350 0.002 0.000 0.266 237 E C 0.629 177.241 176.600 0.020 0.000 0.880 237 E CA -0.052 56.362 56.400 0.024 0.000 0.762 237 E CB 1.903 31.618 29.700 0.025 0.000 1.180 237 E HN 0.781 nan 8.360 nan 0.000 0.416 238 G N 3.266 112.076 108.800 0.017 0.000 2.422 238 G HA2 0.070 4.031 3.960 0.002 0.000 0.218 238 G HA3 0.070 4.031 3.960 0.002 0.000 0.218 238 G C 0.923 175.827 174.900 0.006 0.000 1.146 238 G CA 0.894 46.000 45.100 0.011 0.000 0.769 238 G HN 1.030 nan 8.290 nan 0.000 0.547 239 G N -0.380 108.426 108.800 0.011 0.000 2.539 239 G HA2 -0.185 3.776 3.960 0.002 0.000 0.256 239 G HA3 -0.185 3.776 3.960 0.002 0.000 0.256 239 G C 0.060 174.962 174.900 0.004 0.000 1.233 239 G CA 0.451 45.558 45.100 0.011 0.000 0.936 239 G HN 0.800 nan 8.290 nan 0.000 0.571 240 R N -1.071 119.429 120.500 -0.000 0.000 2.691 240 R HA 0.680 5.021 4.340 0.002 0.000 0.259 240 R C 0.192 176.466 176.300 -0.043 0.000 1.048 240 R CA -0.218 55.878 56.100 -0.007 0.000 1.086 240 R CB 1.287 31.592 30.300 0.009 0.000 1.166 240 R HN 0.799 nan 8.270 nan 0.000 0.526 241 V N 2.031 121.904 119.914 -0.068 0.000 2.555 241 V HA 0.476 4.598 4.120 0.002 0.000 0.286 241 V C -0.140 175.817 176.094 -0.229 0.000 1.044 241 V CA 0.086 62.276 62.300 -0.183 0.000 1.026 241 V CB 0.969 32.649 31.823 -0.238 0.000 0.981 241 V HN 0.819 nan 8.190 nan 0.000 0.480 242 A N 5.626 128.262 122.820 -0.308 0.000 2.323 242 A HA 0.575 4.896 4.320 0.002 0.000 0.305 242 A C -0.978 176.393 177.584 -0.355 0.000 1.275 242 A CA -0.616 51.276 52.037 -0.240 0.000 0.804 242 A CB 0.284 19.191 19.000 -0.156 0.000 1.152 242 A HN 0.829 nan 8.150 nan 0.000 0.487 243 W N 2.581 123.862 121.300 -0.031 0.000 2.368 243 W HA 0.447 5.108 4.660 0.002 0.000 0.316 243 W C 0.195 176.677 176.519 -0.062 0.000 1.375 243 W CA 0.380 57.699 57.345 -0.043 0.000 1.261 243 W CB 0.858 30.304 29.460 -0.023 0.000 1.298 243 W HN 0.424 nan 8.180 nan 0.000 0.539 244 V N 2.697 122.634 119.914 0.039 0.000 3.046 244 V HA 0.889 5.010 4.120 0.002 0.000 0.316 244 V C -0.110 176.026 176.094 0.070 0.000 1.104 244 V CA -1.152 61.126 62.300 -0.037 0.000 1.006 244 V CB 1.913 33.514 31.823 -0.369 0.000 1.058 244 V HN 0.570 nan 8.190 nan 0.000 0.440 245 A N 0.522 123.448 122.820 0.177 0.000 2.386 245 A HA 0.490 4.811 4.320 0.002 0.000 0.308 245 A C 0.784 178.648 177.584 0.466 0.000 1.128 245 A CA -0.176 52.011 52.037 0.251 0.000 0.789 245 A CB 1.264 20.371 19.000 0.178 0.000 1.325 245 A HN 0.874 nan 8.150 nan 0.000 0.437 246 D N 0.292 120.916 120.400 0.373 0.000 2.137 246 D HA -0.125 4.516 4.640 0.002 0.000 0.189 246 D C -0.802 175.573 176.300 0.124 0.000 0.998 246 D CA 2.246 56.445 54.000 0.331 0.000 0.839 246 D CB -0.431 40.468 40.800 0.166 0.000 0.962 246 D HN 0.409 nan 8.370 nan 0.000 0.446 247 P HA 0.108 nan 4.420 nan 0.000 0.256 247 P C 0.510 177.832 177.300 0.037 0.000 1.384 247 P CA 0.509 63.655 63.100 0.076 0.000 0.879 247 P CB 0.029 31.762 31.700 0.056 0.000 1.403 248 K N -0.242 120.169 120.400 0.018 0.000 2.288 248 K HA -0.053 4.268 4.320 0.002 0.000 0.201 248 K C 0.755 177.364 176.600 0.015 0.000 1.048 248 K CA 1.231 57.518 56.287 0.001 0.000 0.956 248 K CB -0.729 31.764 32.500 -0.011 0.000 0.746 248 K HN 0.087 nan 8.250 nan 0.000 0.461 249 D N -0.259 120.168 120.400 0.045 0.000 2.517 249 D HA 0.171 4.813 4.640 0.002 0.000 0.301 249 D C -1.927 174.416 176.300 0.071 0.000 1.202 249 D CA -2.065 51.964 54.000 0.049 0.000 0.910 249 D CB 1.602 42.438 40.800 0.061 0.000 1.021 249 D HN 0.127 nan 8.370 nan 0.000 0.499 250 P HA -0.113 nan 4.420 nan 0.000 0.225 250 P C 1.017 178.354 177.300 0.062 0.000 1.148 250 P CA 0.550 63.690 63.100 0.067 0.000 0.779 250 P CB 0.608 32.338 31.700 0.050 0.000 0.780 251 R N -0.204 120.326 120.500 0.049 0.000 2.254 251 R HA 0.144 4.485 4.340 0.002 0.000 0.195 251 R C 1.250 177.573 176.300 0.039 0.000 0.957 251 R CA 0.202 56.325 56.100 0.037 0.000 1.024 251 R CB 0.167 30.482 30.300 0.024 0.000 0.952 251 R HN 0.188 nan 8.270 nan 0.000 0.484 252 K N 2.783 123.216 120.400 0.056 0.000 2.316 252 K HA 0.250 4.572 4.320 0.002 0.000 0.267 252 K C -2.411 174.248 176.600 0.098 0.000 1.025 252 K CA -1.986 54.338 56.287 0.062 0.000 0.896 252 K CB 1.512 34.046 32.500 0.058 0.000 1.124 252 K HN -0.162 nan 8.250 nan 0.000 0.451 253 P HA 0.140 nan 4.420 nan 0.000 0.280 253 P C -0.553 176.889 177.300 0.237 0.000 1.244 253 P CA -0.359 62.848 63.100 0.179 0.000 0.784 253 P CB 0.825 32.618 31.700 0.154 0.000 0.913 254 I N 1.954 122.640 120.570 0.194 0.000 2.646 254 I HA 0.685 4.856 4.170 0.002 0.000 0.299 254 I C -2.924 173.159 176.117 -0.056 0.000 1.036 254 I CA -3.361 57.989 61.300 0.084 0.000 1.074 254 I CB 2.968 40.944 38.000 -0.039 0.000 1.258 254 I HN 0.077 nan 8.210 nan 0.000 0.430 255 P HA 0.467 nan 4.420 nan 0.000 0.282 255 P C -1.526 175.521 177.300 -0.421 0.000 1.259 255 P CA 0.146 62.851 63.100 -0.658 0.000 0.826 255 P CB 1.161 32.338 31.700 -0.872 0.000 1.064 256 H N -0.809 117.960 119.070 -0.502 0.000 2.950 256 H HA 0.658 5.215 4.556 0.002 0.000 0.272 256 H C -1.354 173.809 175.328 -0.275 0.000 1.495 256 H CA -0.813 55.054 56.048 -0.302 0.000 1.183 256 H CB 1.164 30.696 29.762 -0.383 0.000 1.867 256 H HN 0.159 nan 8.280 nan 0.000 0.597 257 L N 1.600 122.944 121.223 0.203 0.000 2.438 257 L HA 0.208 4.550 4.340 0.002 0.000 0.270 257 L C 1.252 178.094 176.870 -0.047 0.000 0.972 257 L CA -0.321 54.531 54.840 0.019 0.000 0.831 257 L CB 2.204 44.271 42.059 0.013 0.000 1.273 257 L HN 0.939 nan 8.230 nan 0.000 0.405 258 T N -1.322 113.194 114.554 -0.064 0.000 2.737 258 T HA -0.178 4.174 4.350 0.002 0.000 0.269 258 T C 1.765 176.445 174.700 -0.034 0.000 1.040 258 T CA 1.560 63.627 62.100 -0.056 0.000 1.142 258 T CB -0.345 68.513 68.868 -0.016 0.000 0.861 258 T HN 0.784 nan 8.240 nan 0.000 0.456 259 G N 1.348 110.140 108.800 -0.013 0.000 2.462 259 G HA2 -0.000 3.961 3.960 0.002 0.000 0.220 259 G HA3 -0.000 3.961 3.960 0.002 0.000 0.220 259 G C 1.315 176.218 174.900 0.004 0.000 1.121 259 G CA 0.658 45.760 45.100 0.004 0.000 0.758 259 G HN 0.592 nan 8.290 nan 0.000 0.559 260 L N 0.068 121.287 121.223 -0.007 0.000 2.741 260 L HA 0.446 4.787 4.340 0.002 0.000 0.237 260 L C 0.026 176.859 176.870 -0.062 0.000 1.178 260 L CA -0.244 54.619 54.840 0.038 0.000 0.973 260 L CB 0.074 42.208 42.059 0.125 0.000 1.255 260 L HN 0.055 nan 8.230 nan 0.000 0.498 261 L N -0.594 120.550 121.223 -0.130 0.000 2.323 261 L HA 0.627 4.968 4.340 0.002 0.000 0.265 261 L C -0.740 176.054 176.870 -0.127 0.000 1.012 261 L CA -0.903 53.819 54.840 -0.196 0.000 0.820 261 L CB 2.760 44.647 42.059 -0.286 0.000 1.334 261 L HN -0.354 nan 8.230 nan 0.000 0.427 262 V N 2.172 122.003 119.914 -0.139 0.000 2.482 262 V HA 0.328 4.449 4.120 0.002 0.000 0.295 262 V C -2.234 173.738 176.094 -0.204 0.000 1.026 262 V CA -1.576 60.634 62.300 -0.150 0.000 0.856 262 V CB 1.847 33.601 31.823 -0.115 0.000 1.001 262 V HN 0.578 nan 8.190 nan 0.000 0.424 263 P HA 0.050 nan 4.420 nan 0.000 0.265 263 P C -0.364 176.709 177.300 -0.379 0.000 1.193 263 P CA 0.223 63.086 63.100 -0.394 0.000 0.765 263 P CB 1.210 32.470 31.700 -0.733 0.000 0.823 264 V N 5.073 124.829 119.914 -0.264 0.000 2.339 264 V HA 0.043 4.164 4.120 0.002 0.000 0.261 264 V C 0.600 176.549 176.094 -0.241 0.000 1.058 264 V CA -0.330 61.844 62.300 -0.210 0.000 0.897 264 V CB -0.120 31.629 31.823 -0.123 0.000 1.052 264 V HN 0.323 nan 8.190 nan 0.000 0.480 265 L N 4.475 125.524 121.223 -0.290 0.000 2.417 265 L HA 0.501 4.842 4.340 0.002 0.000 0.268 265 L C 0.624 177.403 176.870 -0.152 0.000 1.158 265 L CA 0.837 55.518 54.840 -0.266 0.000 0.819 265 L CB 0.403 42.281 42.059 -0.301 0.000 1.112 265 L HN 0.476 nan 8.230 nan 0.000 0.458 266 T N 0.194 114.679 114.554 -0.115 0.000 2.940 266 T HA 0.607 4.959 4.350 0.002 0.000 0.288 266 T C 1.214 175.882 174.700 -0.055 0.000 1.045 266 T CA -0.021 62.046 62.100 -0.055 0.000 1.018 266 T CB 1.536 70.384 68.868 -0.033 0.000 1.151 266 T HN 0.550 nan 8.240 nan 0.000 0.529 267 L N 1.202 122.429 121.223 0.006 0.000 2.079 267 L HA 0.129 4.471 4.340 0.002 0.000 0.210 267 L C 2.751 179.583 176.870 -0.063 0.000 1.081 267 L CA 2.878 57.709 54.840 -0.016 0.000 0.752 267 L CB -2.380 39.699 42.059 0.033 0.000 0.896 267 L HN 1.021 nan 8.230 nan 0.000 0.433 268 E N -0.089 120.091 120.200 -0.034 0.000 2.023 268 E HA -0.340 4.011 4.350 0.002 0.000 0.196 268 E C 1.992 178.507 176.600 -0.142 0.000 1.003 268 E CA 1.308 57.689 56.400 -0.032 0.000 0.809 268 E CB -1.298 28.406 29.700 0.008 0.000 0.755 268 E HN 0.799 nan 8.360 nan 0.000 0.449 269 D N 0.376 120.704 120.400 -0.121 0.000 2.191 269 D HA -0.196 4.445 4.640 0.002 0.000 0.190 269 D C 2.153 178.257 176.300 -0.326 0.000 1.007 269 D CA 1.784 55.708 54.000 -0.127 0.000 0.865 269 D CB -0.232 40.565 40.800 -0.004 0.000 0.929 269 D HN 0.456 nan 8.370 nan 0.000 0.447 270 L N -0.052 120.925 121.223 -0.410 0.000 2.005 270 L HA -0.169 4.172 4.340 0.002 0.000 0.207 270 L C 1.678 178.232 176.870 -0.526 0.000 1.072 270 L CA 1.107 55.562 54.840 -0.642 0.000 0.744 270 L CB -0.966 40.580 42.059 -0.855 0.000 0.895 270 L HN 0.228 nan 8.230 nan 0.000 0.433 271 H N -0.096 118.872 119.070 -0.169 0.000 1.452 271 H HA -0.288 4.269 4.556 0.002 0.000 0.090 271 H C 0.549 175.846 175.328 -0.051 0.000 0.958 271 H CA 1.114 57.111 56.048 -0.085 0.000 1.901 271 H CB -1.580 28.157 29.762 -0.042 0.000 2.257 271 H HN 0.475 nan 8.280 nan 0.000 0.961 277 L N 1.715 122.942 121.223 0.007 0.000 2.978 277 L HA 0.654 4.996 4.340 0.002 0.000 0.239 277 L C 1.373 178.243 176.870 0.000 0.000 1.293 277 L CA 0.738 55.591 54.840 0.022 0.000 1.085 277 L CB 0.009 42.090 42.059 0.036 0.000 1.432 277 L HN 1.147 nan 8.230 nan 0.000 0.512 278 A N 0.845 123.658 122.820 -0.011 0.000 2.745 278 A HA -0.197 4.124 4.320 0.002 0.000 0.296 278 A C 0.387 177.930 177.584 -0.069 0.000 1.500 278 A CA 1.420 53.446 52.037 -0.020 0.000 0.766 278 A CB -2.212 16.797 19.000 0.015 0.000 1.030 278 A HN 0.543 nan 8.150 nan 0.000 0.489 279 L N -2.309 118.832 121.223 -0.137 0.000 2.384 279 L HA 0.826 5.167 4.340 0.002 0.000 0.261 279 L C -0.220 176.506 176.870 -0.240 0.000 1.024 279 L CA 0.209 54.879 54.840 -0.283 0.000 0.899 279 L CB 1.323 43.064 42.059 -0.530 0.000 1.243 279 L HN 1.122 nan 8.230 nan 0.000 0.449 280 S N 2.602 118.220 115.700 -0.137 0.000 2.596 280 S HA 0.555 5.026 4.470 0.002 0.000 0.305 280 S C -1.266 173.328 174.600 -0.009 0.000 1.086 280 S CA -0.843 57.325 58.200 -0.054 0.000 0.909 280 S CB 0.950 64.127 63.200 -0.038 0.000 1.106 280 S HN 0.437 nan 8.310 nan 0.000 0.450 281 L N 4.047 125.293 121.223 0.038 0.000 2.272 281 L HA 0.639 4.981 4.340 0.002 0.000 0.289 281 L C -1.908 175.019 176.870 0.095 0.000 1.032 281 L CA -1.429 53.448 54.840 0.062 0.000 0.810 281 L CB 0.631 42.743 42.059 0.088 0.000 1.205 281 L HN 0.549 nan 8.230 nan 0.000 0.422 282 P HA -0.054 nan 4.420 nan 0.000 0.275 282 P C 0.397 177.806 177.300 0.182 0.000 1.228 282 P CA -0.534 62.635 63.100 0.114 0.000 0.786 282 P CB 0.760 32.493 31.700 0.055 0.000 0.927 283 W N 4.090 125.458 121.300 0.113 0.000 2.290 283 W HA -0.263 4.398 4.660 0.002 0.000 0.311 283 W C 1.842 178.445 176.519 0.140 0.000 1.238 283 W CA 2.293 59.750 57.345 0.186 0.000 1.255 283 W CB -0.854 28.730 29.460 0.206 0.000 1.145 283 W HN 0.482 nan 8.180 nan 0.000 0.506 284 E N 0.563 120.468 120.200 -0.491 0.000 2.028 284 E HA -0.163 4.188 4.350 0.002 0.000 0.191 284 E C 2.484 178.904 176.600 -0.300 0.000 0.988 284 E CA 2.988 58.994 56.400 -0.657 0.000 0.799 284 E CB -0.848 28.514 29.700 -0.564 0.000 0.755 284 E HN 0.423 nan 8.360 nan 0.000 0.447 285 E N 1.121 121.229 120.200 -0.153 0.000 2.153 285 E HA -0.186 4.165 4.350 0.002 0.000 0.194 285 E C 2.084 178.658 176.600 -0.044 0.000 0.988 285 E CA 1.472 57.824 56.400 -0.081 0.000 0.811 285 E CB -0.678 29.002 29.700 -0.034 0.000 0.746 285 E HN 0.301 nan 8.360 nan 0.000 0.466 286 R N -0.284 120.223 120.500 0.011 0.000 2.066 286 R HA -0.098 4.243 4.340 0.002 0.000 0.232 286 R C 2.720 179.009 176.300 -0.019 0.000 1.131 286 R CA 1.438 57.583 56.100 0.075 0.000 0.955 286 R CB -0.204 30.237 30.300 0.234 0.000 0.851 286 R HN 0.395 nan 8.270 nan 0.000 0.432 287 R N 1.153 121.551 120.500 -0.171 0.000 2.073 287 R HA -0.189 4.153 4.340 0.002 0.000 0.234 287 R C 2.392 178.543 176.300 -0.250 0.000 1.134 287 R CA 2.164 57.997 56.100 -0.445 0.000 0.952 287 R CB -0.272 29.658 30.300 -0.616 0.000 0.850 287 R HN 0.343 nan 8.270 nan 0.000 0.433 288 R N -0.084 120.305 120.500 -0.186 0.000 2.120 288 R HA -0.077 4.264 4.340 0.002 0.000 0.234 288 R C 2.131 178.384 176.300 -0.079 0.000 1.123 288 R CA 1.331 57.355 56.100 -0.127 0.000 0.975 288 R CB -0.442 29.790 30.300 -0.115 0.000 0.866 288 R HN 0.179 nan 8.270 nan 0.000 0.446 289 R N 0.418 120.883 120.500 -0.058 0.000 2.115 289 R HA -0.062 4.279 4.340 0.002 0.000 0.226 289 R C 2.410 178.702 176.300 -0.015 0.000 1.100 289 R CA 1.716 57.800 56.100 -0.028 0.000 0.980 289 R CB -0.269 30.029 30.300 -0.003 0.000 0.875 289 R HN 0.427 nan 8.270 nan 0.000 0.445 290 T N -0.291 114.265 114.554 0.003 0.000 2.951 290 T HA -0.038 4.313 4.350 0.002 0.000 0.268 290 T C 1.824 176.542 174.700 0.031 0.000 1.073 290 T CA 0.730 62.864 62.100 0.057 0.000 1.134 290 T CB 0.096 69.055 68.868 0.152 0.000 0.884 290 T HN 0.154 nan 8.240 nan 0.000 0.479 291 R N 0.302 120.808 120.500 0.009 0.000 2.093 291 R HA 0.089 4.430 4.340 0.002 0.000 0.224 291 R C 2.564 178.816 176.300 -0.080 0.000 1.101 291 R CA 1.230 57.319 56.100 -0.018 0.000 0.979 291 R CB -0.203 30.084 30.300 -0.021 0.000 0.877 291 R HN 0.596 nan 8.270 nan 0.000 0.441 292 E N 0.839 121.008 120.200 -0.053 0.000 2.028 292 E HA -0.153 4.198 4.350 0.002 0.000 0.191 292 E C 1.979 178.570 176.600 -0.015 0.000 0.988 292 E CA 0.864 57.243 56.400 -0.035 0.000 0.799 292 E CB 0.166 29.845 29.700 -0.035 0.000 0.755 292 E HN 0.077 nan 8.360 nan 0.000 0.447 293 I N 1.453 122.005 120.570 -0.030 0.000 2.208 293 I HA -0.271 3.901 4.170 0.002 0.000 0.245 293 I C 2.613 178.750 176.117 0.033 0.000 1.097 293 I CA 1.390 62.697 61.300 0.011 0.000 1.363 293 I CB -1.650 36.338 38.000 -0.019 0.000 1.051 293 I HN 0.136 nan 8.210 nan 0.000 0.413 294 A N 0.203 122.923 122.820 -0.168 0.000 1.908 294 A HA -0.210 4.111 4.320 0.002 0.000 0.218 294 A C 2.619 180.047 177.584 -0.259 0.000 1.181 294 A CA 2.231 54.031 52.037 -0.394 0.000 0.627 294 A CB -0.832 17.477 19.000 -1.151 0.000 0.818 294 A HN 0.415 nan 8.150 nan 0.000 0.445 295 S N -1.427 114.177 115.700 -0.161 0.000 2.368 295 S HA -0.174 4.298 4.470 0.002 0.000 0.225 295 S C 1.585 176.174 174.600 -0.019 0.000 1.030 295 S CA 1.189 59.339 58.200 -0.084 0.000 0.999 295 S CB -0.451 62.729 63.200 -0.034 0.000 0.844 295 S HN 0.812 nan 8.310 nan 0.000 0.459 296 W N 1.776 123.001 121.300 -0.124 0.000 2.329 296 W HA -0.165 4.496 4.660 0.002 0.000 0.324 296 W C 1.832 178.293 176.519 -0.097 0.000 1.222 296 W CA 1.013 58.303 57.345 -0.092 0.000 1.270 296 W CB -0.922 28.493 29.460 -0.075 0.000 1.167 296 W HN 0.278 nan 8.180 nan 0.000 0.467 297 I N 2.523 123.024 120.570 -0.115 0.000 2.567 297 I HA -0.119 4.052 4.170 0.002 0.000 0.257 297 I C 2.677 178.625 176.117 -0.282 0.000 1.184 297 I CA 1.975 63.109 61.300 -0.276 0.000 1.451 297 I CB -1.110 36.886 38.000 -0.007 0.000 1.089 297 I HN 0.101 nan 8.210 nan 0.000 0.441 298 G N -0.319 108.348 108.800 -0.222 0.000 2.402 298 G HA2 -0.254 3.707 3.960 0.002 0.000 0.216 298 G HA3 -0.254 3.707 3.960 0.002 0.000 0.216 298 G C 1.923 176.695 174.900 -0.212 0.000 1.162 298 G CA 0.454 45.435 45.100 -0.197 0.000 0.777 298 G HN 0.294 nan 8.290 nan 0.000 0.539 299 R N 0.261 120.612 120.500 -0.248 0.000 2.092 299 R HA 0.033 4.374 4.340 0.002 0.000 0.231 299 R C 2.609 178.743 176.300 -0.277 0.000 1.119 299 R CA 0.841 56.800 56.100 -0.234 0.000 0.970 299 R CB -0.120 30.044 30.300 -0.227 0.000 0.864 299 R HN 0.239 nan 8.270 nan 0.000 0.440 300 R N -0.140 120.123 120.500 -0.395 0.000 2.276 300 R HA 0.054 4.395 4.340 0.002 0.000 0.203 300 R C 2.011 178.161 176.300 -0.249 0.000 1.017 300 R CA 0.404 56.287 56.100 -0.362 0.000 1.010 300 R CB 0.083 30.070 30.300 -0.523 0.000 0.900 300 R HN 0.221 nan 8.270 nan 0.000 0.469 301 L N -0.867 120.217 121.223 -0.231 0.000 2.307 301 L HA 0.145 4.487 4.340 0.002 0.000 0.211 301 L C 0.890 177.651 176.870 -0.182 0.000 1.099 301 L CA 0.608 55.330 54.840 -0.197 0.000 0.816 301 L CB -0.015 41.923 42.059 -0.202 0.000 0.952 301 L HN 0.468 nan 8.230 nan 0.000 0.455 302 G N 0.767 109.469 108.800 -0.164 0.000 2.249 302 G HA2 -0.276 3.686 3.960 0.002 0.000 0.273 302 G HA3 -0.276 3.686 3.960 0.002 0.000 0.273 302 G C 0.072 174.891 174.900 -0.135 0.000 1.036 302 G CA 0.195 45.214 45.100 -0.135 0.000 0.824 302 G HN 0.201 nan 8.290 nan 0.000 0.504 303 L N 0.436 121.569 121.223 -0.150 0.000 3.209 303 L HA 0.599 4.940 4.340 0.002 0.000 0.279 303 L C 1.305 178.135 176.870 -0.066 0.000 1.301 303 L CA 0.318 55.075 54.840 -0.138 0.000 1.004 303 L CB -0.060 41.830 42.059 -0.282 0.000 1.402 303 L HN 1.472 nan 8.230 nan 0.000 0.577 304 G N -0.483 108.282 108.800 -0.059 0.000 2.795 304 G HA2 -0.206 3.755 3.960 0.002 0.000 0.664 304 G HA3 -0.206 3.755 3.960 0.002 0.000 0.664 304 G C -0.198 174.678 174.900 -0.040 0.000 1.381 304 G CA -0.558 44.522 45.100 -0.034 0.000 0.853 304 G HN 0.105 nan 8.290 nan 0.000 0.545 305 T N 2.804 117.345 114.554 -0.022 0.000 2.869 305 T HA 0.529 4.880 4.350 0.002 0.000 0.295 305 T C -2.134 172.571 174.700 0.009 0.000 0.987 305 T CA -0.327 61.761 62.100 -0.020 0.000 1.109 305 T CB 1.436 70.298 68.868 -0.009 0.000 0.932 305 T HN 0.484 nan 8.240 nan 0.000 0.518 306 P HA 0.198 nan 4.420 nan 0.000 0.270 306 P C -0.395 177.021 177.300 0.193 0.000 1.242 306 P CA -0.176 62.968 63.100 0.073 0.000 0.768 306 P CB 0.427 32.059 31.700 -0.113 0.000 0.820 307 E N 2.631 122.964 120.200 0.223 0.000 2.073 307 E HA 0.345 4.696 4.350 0.002 0.000 0.269 307 E C 0.041 176.767 176.600 0.210 0.000 0.917 307 E CA -0.687 55.830 56.400 0.194 0.000 0.757 307 E CB 1.339 31.108 29.700 0.116 0.000 1.111 307 E HN 0.357 nan 8.360 nan 0.000 0.410 308 A N 3.211 126.151 122.820 0.200 0.000 2.580 308 A HA 0.036 4.357 4.320 0.002 0.000 0.244 308 A C 0.452 178.057 177.584 0.036 0.000 1.045 308 A CA -0.022 51.909 52.037 -0.177 0.000 0.761 308 A CB 0.141 18.959 19.000 -0.303 0.000 0.962 308 A HN 0.388 nan 8.150 nan 0.000 0.512 309 V N 4.796 124.653 119.914 -0.095 0.000 2.530 309 V HA 0.409 4.530 4.120 0.002 0.000 0.282 309 V C 0.783 176.944 176.094 0.111 0.000 1.048 309 V CA -0.043 62.274 62.300 0.027 0.000 0.997 309 V CB 0.756 32.564 31.823 -0.026 0.000 0.987 309 V HN 1.058 nan 8.190 nan 0.000 0.477 310 R N 4.261 124.755 120.500 -0.010 0.000 2.740 310 R HA 0.936 5.278 4.340 0.002 0.000 0.282 310 R C -0.809 175.387 176.300 -0.173 0.000 0.969 310 R CA -0.654 55.300 56.100 -0.242 0.000 0.918 310 R CB 2.222 32.133 30.300 -0.648 0.000 1.175 310 R HN 0.665 nan 8.270 nan 0.000 0.464 311 A N 1.814 124.520 122.820 -0.189 0.000 2.569 311 A HA 0.434 4.755 4.320 0.002 0.000 0.290 311 A C -1.579 175.891 177.584 -0.190 0.000 1.136 311 A CA -1.081 50.868 52.037 -0.145 0.000 0.710 311 A CB 1.937 20.883 19.000 -0.089 0.000 1.303 311 A HN 0.745 nan 8.150 nan 0.000 0.413 312 Q N 0.499 120.181 119.800 -0.198 0.000 2.294 312 Q HA 0.650 4.991 4.340 0.002 0.000 0.257 312 Q C -0.365 175.399 176.000 -0.393 0.000 0.955 312 Q CA 0.093 55.697 55.803 -0.331 0.000 0.936 312 Q CB 1.116 29.633 28.738 -0.368 0.000 1.188 312 Q HN 1.019 nan 8.270 nan 0.000 0.420 313 A N 3.625 126.211 122.820 -0.391 0.000 2.277 313 A HA 0.561 4.882 4.320 0.002 0.000 0.318 313 A C -1.310 176.095 177.584 -0.299 0.000 1.339 313 A CA -0.710 51.164 52.037 -0.272 0.000 0.875 313 A CB 0.117 19.018 19.000 -0.165 0.000 1.158 313 A HN 0.667 nan 8.150 nan 0.000 0.514 314 Y N 0.927 121.193 120.300 -0.056 0.000 2.304 314 Y HA 0.425 4.977 4.550 0.002 0.000 0.328 314 Y C 0.989 176.885 175.900 -0.006 0.000 1.123 314 Y CA -0.175 57.932 58.100 0.013 0.000 1.218 314 Y CB 0.981 39.518 38.460 0.129 0.000 1.207 314 Y HN 0.716 nan 8.280 nan 0.000 0.495 315 R N 4.089 124.658 120.500 0.115 0.000 2.220 315 R HA 0.340 4.682 4.340 0.002 0.000 0.340 315 R C -1.089 175.203 176.300 -0.013 0.000 1.076 315 R CA -0.312 55.793 56.100 0.009 0.000 0.920 315 R CB -0.091 30.211 30.300 0.002 0.000 1.062 315 R HN 0.746 nan 8.270 nan 0.000 0.469 316 L N 3.434 124.559 121.223 -0.163 0.000 2.485 316 L HA 0.046 4.387 4.340 0.002 0.000 0.275 316 L C 0.664 177.518 176.870 -0.028 0.000 1.207 316 L CA -0.027 54.656 54.840 -0.262 0.000 0.855 316 L CB 0.785 42.459 42.059 -0.643 0.000 1.114 316 L HN 0.744 nan 8.230 nan 0.000 0.485 317 S N 3.012 118.781 115.700 0.115 0.000 2.537 317 S HA 0.260 4.732 4.470 0.002 0.000 0.286 317 S C -0.115 174.713 174.600 0.381 0.000 1.299 317 S CA -0.734 57.615 58.200 0.249 0.000 1.067 317 S CB 0.090 63.466 63.200 0.294 0.000 0.864 317 S HN 0.373 nan 8.310 nan 0.000 0.494 318 I N 4.911 125.637 120.570 0.260 0.000 2.618 318 I HA 0.183 4.355 4.170 0.002 0.000 0.284 318 I C -1.496 174.667 176.117 0.077 0.000 1.146 318 I CA -1.791 59.631 61.300 0.204 0.000 1.425 318 I CB 0.249 38.317 38.000 0.114 0.000 1.383 318 I HN 0.553 nan 8.210 nan 0.000 0.562 319 P HA 0.114 nan 4.420 nan 0.000 0.271 319 P C -0.598 176.614 177.300 -0.147 0.000 1.220 319 P CA -0.427 62.455 63.100 -0.364 0.000 0.768 319 P CB 0.526 31.725 31.700 -0.836 0.000 0.848 320 K N 4.206 124.565 120.400 -0.070 0.000 2.167 320 K HA 0.172 4.493 4.320 0.002 0.000 0.275 320 K C -0.058 176.504 176.600 -0.064 0.000 1.103 320 K CA -0.264 55.999 56.287 -0.041 0.000 0.963 320 K CB -0.987 31.507 32.500 -0.011 0.000 1.243 320 K HN 0.356 nan 8.250 nan 0.000 0.407 321 L N 2.251 123.426 121.223 -0.080 0.000 2.326 321 L HA 0.664 5.005 4.340 0.002 0.000 0.278 321 L C 0.344 177.182 176.870 -0.055 0.000 1.092 321 L CA -0.376 54.408 54.840 -0.094 0.000 0.810 321 L CB 1.226 43.222 42.059 -0.105 0.000 1.153 321 L HN 0.889 nan 8.230 nan 0.000 0.439 322 M N 1.161 120.727 119.600 -0.057 0.000 2.294 322 M HA 0.650 5.131 4.480 0.002 0.000 0.280 322 M C -0.369 175.988 176.300 0.095 0.000 1.085 322 M CA -0.519 54.792 55.300 0.018 0.000 0.969 322 M CB 1.362 33.993 32.600 0.052 0.000 1.770 322 M HN 0.436 nan 8.290 nan 0.000 0.485 323 G N 2.070 110.950 108.800 0.133 0.000 3.372 323 G HA2 0.279 4.241 3.960 0.002 0.000 0.178 323 G HA3 0.279 4.241 3.960 0.002 0.000 0.178 323 G C 0.533 175.566 174.900 0.222 0.000 1.817 323 G CA -0.084 45.146 45.100 0.217 0.000 0.996 323 G HN 0.881 nan 8.290 nan 0.000 0.559 324 R N 0.222 120.781 120.500 0.099 0.000 2.096 324 R HA -0.000 4.341 4.340 0.002 0.000 0.235 324 R C 1.036 177.356 176.300 0.033 0.000 1.127 324 R CA 1.232 57.344 56.100 0.021 0.000 0.968 324 R CB -0.054 30.225 30.300 -0.034 0.000 0.861 324 R HN 0.552 nan 8.270 nan 0.000 0.440 325 R N -1.663 118.863 120.500 0.044 0.000 2.799 325 R HA 0.567 4.908 4.340 0.002 0.000 0.270 325 R C -1.172 175.155 176.300 0.045 0.000 1.010 325 R CA -0.536 55.587 56.100 0.038 0.000 0.916 325 R CB 0.944 31.252 30.300 0.014 0.000 1.228 325 R HN -0.001 nan 8.270 nan 0.000 0.469 326 A N 1.007 123.849 122.820 0.037 0.000 2.632 326 A HA 0.298 4.619 4.320 0.002 0.000 0.229 326 A C -0.087 177.506 177.584 0.015 0.000 1.047 326 A CA 0.296 52.348 52.037 0.025 0.000 0.754 326 A CB 0.067 19.077 19.000 0.017 0.000 0.969 326 A HN 0.421 nan 8.150 nan 0.000 0.509 327 V N 1.385 121.301 119.914 0.004 0.000 3.012 327 V HA 0.409 4.530 4.120 0.002 0.000 0.307 327 V C 1.064 177.147 176.094 -0.018 0.000 1.166 327 V CA 0.186 62.483 62.300 -0.005 0.000 0.974 327 V CB 1.977 33.798 31.823 -0.003 0.000 1.040 327 V HN 1.225 nan 8.190 nan 0.000 0.428 328 S N 2.162 117.851 115.700 -0.017 0.000 2.458 328 S HA 0.202 4.673 4.470 0.002 0.000 0.223 328 S C 0.357 174.936 174.600 -0.035 0.000 1.019 328 S CA 0.708 58.895 58.200 -0.021 0.000 0.937 328 S CB -0.030 63.162 63.200 -0.013 0.000 0.788 328 S HN 0.773 nan 8.310 nan 0.000 0.511 329 K N -0.450 119.928 120.400 -0.037 0.000 2.562 329 K HA 0.452 4.774 4.320 0.002 0.000 0.267 329 K C -2.837 173.730 176.600 -0.055 0.000 0.938 329 K CA -1.861 54.396 56.287 -0.051 0.000 0.840 329 K CB 0.726 33.202 32.500 -0.040 0.000 1.390 329 K HN -0.356 nan 8.250 nan 0.000 0.428 330 P HA -0.352 nan 4.420 nan 0.000 0.217 330 P C 0.967 178.236 177.300 -0.052 0.000 1.162 330 P CA 2.323 65.369 63.100 -0.091 0.000 0.901 330 P CB 0.034 31.647 31.700 -0.145 0.000 0.793 331 A N -0.844 121.944 122.820 -0.053 0.000 2.178 331 A HA -0.200 4.121 4.320 0.002 0.000 0.218 331 A C 1.770 179.348 177.584 -0.009 0.000 1.157 331 A CA 1.773 53.785 52.037 -0.042 0.000 0.689 331 A CB -1.267 17.682 19.000 -0.085 0.000 0.787 331 A HN 0.113 nan 8.150 nan 0.000 0.465 332 D N -0.006 120.390 120.400 -0.008 0.000 2.269 332 D HA 0.037 4.679 4.640 0.002 0.000 0.208 332 D C 2.047 178.362 176.300 0.026 0.000 0.963 332 D CA 1.102 55.105 54.000 0.004 0.000 0.864 332 D CB -0.199 40.599 40.800 -0.004 0.000 0.936 332 D HN 0.449 nan 8.370 nan 0.000 0.505 333 A N 0.281 123.136 122.820 0.057 0.000 2.067 333 A HA -0.066 4.255 4.320 0.002 0.000 0.219 333 A C 2.170 179.833 177.584 0.132 0.000 1.158 333 A CA 0.497 52.604 52.037 0.117 0.000 0.661 333 A CB -0.568 18.554 19.000 0.203 0.000 0.801 333 A HN 0.234 nan 8.150 nan 0.000 0.452 334 L N -1.588 119.723 121.223 0.147 0.000 2.265 334 L HA -0.174 4.168 4.340 0.002 0.000 0.215 334 L C 3.013 179.893 176.870 0.017 0.000 1.117 334 L CA 1.349 56.278 54.840 0.148 0.000 0.782 334 L CB -0.312 41.838 42.059 0.153 0.000 0.914 334 L HN 0.565 nan 8.230 nan 0.000 0.441 335 R N -1.561 118.937 120.500 -0.004 0.000 2.469 335 R HA 0.274 4.615 4.340 0.002 0.000 0.250 335 R C 1.363 177.633 176.300 -0.051 0.000 0.909 335 R CA 0.564 56.650 56.100 -0.022 0.000 1.050 335 R CB -0.398 29.907 30.300 0.009 0.000 1.256 335 R HN 0.116 nan 8.270 nan 0.000 0.550 336 V N -0.175 119.707 119.914 -0.053 0.000 3.644 336 V HA 0.474 4.595 4.120 0.002 0.000 0.267 336 V C 0.948 176.981 176.094 -0.102 0.000 1.277 336 V CA 0.961 63.228 62.300 -0.055 0.000 1.096 336 V CB 0.430 32.240 31.823 -0.020 0.000 0.828 336 V HN 1.097 nan 8.190 nan 0.000 0.446 337 G N 0.032 108.722 108.800 -0.183 0.000 2.784 337 G HA2 -0.130 3.832 3.960 0.002 0.000 0.686 337 G HA3 -0.130 3.832 3.960 0.002 0.000 0.686 337 G C -0.517 174.285 174.900 -0.162 0.000 1.156 337 G CA -0.844 44.054 45.100 -0.336 0.000 0.757 337 G HN 0.148 nan 8.290 nan 0.000 0.642 338 F N 0.966 120.844 119.950 -0.121 0.000 2.496 338 F HA 0.309 4.837 4.527 0.002 0.000 0.344 338 F C 1.824 177.616 175.800 -0.014 0.000 1.155 338 F CA -0.193 57.760 58.000 -0.078 0.000 1.302 338 F CB 0.465 39.377 39.000 -0.147 0.000 1.159 338 F HN 0.638 nan 8.300 nan 0.000 0.595 339 Y N 1.567 121.952 120.300 0.142 0.000 2.128 339 Y HA -0.119 4.432 4.550 0.002 0.000 0.284 339 Y C 1.040 176.972 175.900 0.054 0.000 1.154 339 Y CA 1.572 59.708 58.100 0.061 0.000 1.149 339 Y CB 0.103 38.581 38.460 0.031 0.000 0.976 339 Y HN 0.430 nan 8.280 nan 0.000 0.505 340 R N 0.538 121.059 120.500 0.034 0.000 2.569 340 R HA 0.562 4.903 4.340 0.002 0.000 0.293 340 R C -1.249 175.086 176.300 0.057 0.000 1.186 340 R CA -0.077 55.986 56.100 -0.062 0.000 0.956 340 R CB 0.881 31.141 30.300 -0.067 0.000 1.196 340 R HN 0.214 nan 8.270 nan 0.000 0.444 341 A N 3.162 126.013 122.820 0.051 0.000 2.239 341 A HA 0.664 4.985 4.320 0.002 0.000 0.303 341 A C -0.734 176.910 177.584 0.099 0.000 1.114 341 A CA -0.387 51.712 52.037 0.104 0.000 0.871 341 A CB 0.929 19.975 19.000 0.077 0.000 1.201 341 A HN 0.819 nan 8.150 nan 0.000 0.506 342 Q N -1.261 118.634 119.800 0.158 0.000 2.829 342 Q HA 0.432 4.773 4.340 0.002 0.000 0.296 342 Q C -1.094 175.024 176.000 0.197 0.000 0.893 342 Q CA -0.818 55.069 55.803 0.139 0.000 0.772 342 Q CB 0.716 29.522 28.738 0.113 0.000 1.489 342 Q HN 0.690 nan 8.270 nan 0.000 0.420 343 E N 0.512 120.791 120.200 0.132 0.000 2.415 343 E HA 0.190 4.541 4.350 0.002 0.000 0.263 343 E C -0.987 175.687 176.600 0.124 0.000 0.995 343 E CA 0.589 57.057 56.400 0.113 0.000 0.915 343 E CB 0.662 30.400 29.700 0.063 0.000 0.951 343 E HN 0.473 nan 8.360 nan 0.000 0.449 344 T N 2.650 117.260 114.554 0.093 0.000 2.881 344 T HA 0.602 4.953 4.350 0.002 0.000 0.290 344 T C -1.200 173.478 174.700 -0.037 0.000 1.000 344 T CA -0.632 61.508 62.100 0.067 0.000 0.978 344 T CB 1.654 70.651 68.868 0.215 0.000 0.997 344 T HN 0.494 nan 8.240 nan 0.000 0.443 345 A N 3.813 126.642 122.820 0.015 0.000 2.319 345 A HA 0.834 5.155 4.320 0.002 0.000 0.310 345 A C -0.905 176.705 177.584 0.043 0.000 1.152 345 A CA -0.668 51.397 52.037 0.046 0.000 0.783 345 A CB 0.453 19.471 19.000 0.030 0.000 1.184 345 A HN 0.796 nan 8.150 nan 0.000 0.474 346 L N 1.871 123.166 121.223 0.120 0.000 2.365 346 L HA 0.844 5.185 4.340 0.002 0.000 0.273 346 L C 0.208 177.241 176.870 0.272 0.000 1.000 346 L CA -0.752 54.185 54.840 0.162 0.000 0.819 346 L CB 2.157 44.347 42.059 0.220 0.000 1.284 346 L HN 0.736 nan 8.230 nan 0.000 0.418 347 A N 3.164 126.081 122.820 0.162 0.000 2.350 347 A HA 0.776 5.097 4.320 0.002 0.000 0.324 347 A C -1.094 176.492 177.584 0.004 0.000 1.118 347 A CA -0.509 51.611 52.037 0.138 0.000 0.783 347 A CB 1.714 20.706 19.000 -0.013 0.000 1.236 347 A HN 0.749 nan 8.150 nan 0.000 0.457 348 L N 3.009 124.120 121.223 -0.186 0.000 2.282 348 L HA 0.729 5.070 4.340 0.002 0.000 0.288 348 L C -1.253 175.393 176.870 -0.373 0.000 1.033 348 L CA -0.679 53.831 54.840 -0.551 0.000 0.807 348 L CB 1.008 42.205 42.059 -1.437 0.000 1.209 348 L HN 0.723 nan 8.230 nan 0.000 0.423 349 L N 6.698 127.758 121.223 -0.272 0.000 2.318 349 L HA 0.499 4.841 4.340 0.002 0.000 0.277 349 L C -0.344 176.424 176.870 -0.170 0.000 1.008 349 L CA -0.775 53.968 54.840 -0.163 0.000 0.846 349 L CB 0.411 42.441 42.059 -0.048 0.000 1.220 349 L HN 0.736 nan 8.230 nan 0.000 0.423 350 R N 5.384 125.773 120.500 -0.184 0.000 2.248 350 R HA 0.147 4.488 4.340 0.002 0.000 0.337 350 R C -0.455 175.780 176.300 -0.108 0.000 1.106 350 R CA -0.278 55.721 56.100 -0.167 0.000 0.959 350 R CB 0.665 30.854 30.300 -0.185 0.000 1.075 350 R HN 0.753 nan 8.270 nan 0.000 0.480 351 L N 2.612 123.780 121.223 -0.091 0.000 2.700 351 L HA 0.129 4.470 4.340 0.002 0.000 0.234 351 L C 1.692 178.525 176.870 -0.061 0.000 1.156 351 L CA 0.931 55.727 54.840 -0.072 0.000 0.946 351 L CB 0.230 42.246 42.059 -0.072 0.000 1.216 351 L HN 0.867 nan 8.230 nan 0.000 0.493 352 D N -0.918 119.443 120.400 -0.065 0.000 2.232 352 D HA 0.259 4.901 4.640 0.002 0.000 0.220 352 D C 1.663 177.938 176.300 -0.042 0.000 0.982 352 D CA 0.977 54.948 54.000 -0.049 0.000 0.892 352 D CB -0.076 40.695 40.800 -0.048 0.000 1.040 352 D HN 0.299 nan 8.370 nan 0.000 0.463 353 G N -2.432 106.338 108.800 -0.050 0.000 4.554 353 G HA2 0.509 4.470 3.960 0.002 0.000 0.210 353 G HA3 0.509 4.470 3.960 0.002 0.000 0.210 353 G C 0.500 175.374 174.900 -0.043 0.000 0.674 353 G CA 1.011 46.087 45.100 -0.040 0.000 0.801 353 G HN 1.075 nan 8.290 nan 0.000 0.555 354 A N -0.775 122.010 122.820 -0.057 0.000 3.426 354 A HA 0.947 5.268 4.320 0.002 0.000 0.185 354 A C 1.193 178.744 177.584 -0.055 0.000 1.057 354 A CA 1.690 53.697 52.037 -0.050 0.000 1.261 354 A CB -0.428 18.550 19.000 -0.037 0.000 1.676 354 A HN 1.086 nan 8.150 nan 0.000 0.658 355 Q N -1.682 118.089 119.800 -0.048 0.000 2.243 355 Q HA 0.560 4.901 4.340 0.002 0.000 0.167 355 Q C 1.218 177.177 176.000 -0.068 0.000 0.619 355 Q CA 0.986 56.769 55.803 -0.034 0.000 0.745 355 Q CB -0.793 27.952 28.738 0.011 0.000 1.071 355 Q HN 1.695 nan 8.270 nan 0.000 0.502 356 G N -1.433 107.345 108.800 -0.037 0.000 2.736 356 G HA2 0.454 4.415 3.960 0.002 0.000 0.229 356 G HA3 0.454 4.415 3.960 0.002 0.000 0.229 356 G C -0.954 173.893 174.900 -0.088 0.000 1.380 356 G CA -0.799 44.271 45.100 -0.050 0.000 1.040 356 G HN 0.441 nan 8.290 nan 0.000 0.568 357 W N 1.034 122.259 121.300 -0.124 0.000 2.443 357 W HA 0.317 4.978 4.660 0.002 0.000 0.335 357 W C -1.924 174.460 176.519 -0.226 0.000 1.382 357 W CA -0.696 56.549 57.345 -0.167 0.000 1.305 357 W CB 0.012 29.387 29.460 -0.142 0.000 1.283 357 W HN 0.136 nan 8.180 nan 0.000 0.567 358 P HA -0.041 nan 4.420 nan 0.000 0.271 358 P C 0.626 177.707 177.300 -0.365 0.000 1.233 358 P CA 0.196 63.095 63.100 -0.335 0.000 0.764 358 P CB 0.993 32.252 31.700 -0.735 0.000 0.825 359 E N 2.872 122.983 120.200 -0.148 0.000 2.196 359 E HA -0.278 4.073 4.350 0.002 0.000 0.222 359 E C 1.256 177.813 176.600 -0.071 0.000 1.072 359 E CA 2.235 58.604 56.400 -0.053 0.000 0.902 359 E CB -0.659 29.070 29.700 0.049 0.000 0.780 359 E HN 0.646 nan 8.360 nan 0.000 0.467 360 F N -1.217 118.661 119.950 -0.120 0.000 2.451 360 F HA 0.069 4.597 4.527 0.002 0.000 0.299 360 F C 1.726 177.345 175.800 -0.301 0.000 1.101 360 F CA 0.500 58.377 58.000 -0.204 0.000 1.436 360 F CB -0.470 38.359 39.000 -0.285 0.000 1.074 360 F HN -0.037 nan 8.300 nan 0.000 0.553 361 L N 0.107 120.974 121.223 -0.594 0.000 2.127 361 L HA 0.047 4.388 4.340 0.002 0.000 0.203 361 L C 2.911 179.706 176.870 -0.125 0.000 1.080 361 L CA 0.827 55.476 54.840 -0.319 0.000 0.768 361 L CB -0.535 41.394 42.059 -0.217 0.000 0.924 361 L HN 0.115 nan 8.230 nan 0.000 0.444 362 R N 0.356 120.761 120.500 -0.159 0.000 2.081 362 R HA -0.179 4.162 4.340 0.002 0.000 0.235 362 R C 2.465 178.679 176.300 -0.145 0.000 1.131 362 R CA 1.422 57.367 56.100 -0.259 0.000 0.960 362 R CB -0.124 30.053 30.300 -0.205 0.000 0.856 362 R HN 0.208 nan 8.270 nan 0.000 0.436 363 R N -0.079 120.386 120.500 -0.058 0.000 2.080 363 R HA -0.143 4.198 4.340 0.002 0.000 0.236 363 R C 2.254 178.592 176.300 0.063 0.000 1.137 363 R CA 1.746 57.852 56.100 0.011 0.000 0.943 363 R CB -0.413 29.923 30.300 0.060 0.000 0.846 363 R HN 0.340 nan 8.270 nan 0.000 0.431 364 A N 1.033 123.929 122.820 0.125 0.000 1.908 364 A HA -0.154 4.167 4.320 0.002 0.000 0.218 364 A C 2.253 179.952 177.584 0.193 0.000 1.181 364 A CA 1.216 53.388 52.037 0.226 0.000 0.627 364 A CB -0.577 18.686 19.000 0.439 0.000 0.818 364 A HN 0.256 nan 8.150 nan 0.000 0.445 365 L N -0.687 120.624 121.223 0.146 0.000 1.994 365 L HA -0.186 4.155 4.340 0.002 0.000 0.208 365 L C 2.608 179.593 176.870 0.191 0.000 1.071 365 L CA 1.262 56.218 54.840 0.193 0.000 0.745 365 L CB -0.672 41.378 42.059 -0.016 0.000 0.892 365 L HN 0.371 nan 8.230 nan 0.000 0.431 366 L N -0.599 120.638 121.223 0.023 0.000 2.079 366 L HA -0.238 4.103 4.340 0.002 0.000 0.210 366 L C 2.834 179.736 176.870 0.053 0.000 1.081 366 L CA 1.274 56.117 54.840 0.004 0.000 0.752 366 L CB -0.508 41.517 42.059 -0.056 0.000 0.896 366 L HN 0.290 nan 8.230 nan 0.000 0.433 367 R N -0.138 120.395 120.500 0.055 0.000 2.093 367 R HA -0.061 4.280 4.340 0.002 0.000 0.224 367 R C 2.404 178.696 176.300 -0.012 0.000 1.101 367 R CA 1.037 57.154 56.100 0.029 0.000 0.979 367 R CB -0.103 30.222 30.300 0.041 0.000 0.877 367 R HN 0.308 nan 8.270 nan 0.000 0.441 368 A N 0.506 123.331 122.820 0.009 0.000 1.883 368 A HA -0.173 4.149 4.320 0.002 0.000 0.217 368 A C 1.866 179.164 177.584 -0.476 0.000 1.186 368 A CA 1.311 53.213 52.037 -0.225 0.000 0.624 368 A CB -0.737 18.234 19.000 -0.049 0.000 0.822 368 A HN 0.325 nan 8.150 nan 0.000 0.444 369 F N 0.387 120.198 119.950 -0.232 0.000 2.234 369 F HA 0.027 4.555 4.527 0.002 0.000 0.299 369 F C 2.594 178.294 175.800 -0.168 0.000 1.087 369 F CA 0.821 58.702 58.000 -0.198 0.000 1.340 369 F CB -0.795 38.169 39.000 -0.060 0.000 1.031 369 F HN 0.279 nan 8.300 nan 0.000 0.500 370 G N -0.375 108.440 108.800 0.024 0.000 2.418 370 G HA2 -0.202 3.759 3.960 0.002 0.000 0.217 370 G HA3 -0.202 3.759 3.960 0.002 0.000 0.217 370 G C 1.885 176.738 174.900 -0.078 0.000 1.158 370 G CA 0.762 45.853 45.100 -0.015 0.000 0.771 370 G HN 0.427 nan 8.290 nan 0.000 0.545 371 A N 0.334 123.070 122.820 -0.140 0.000 2.067 371 A HA 0.167 4.488 4.320 0.002 0.000 0.219 371 A C 2.547 180.008 177.584 -0.204 0.000 1.158 371 A CA 1.996 53.936 52.037 -0.161 0.000 0.661 371 A CB -0.174 18.719 19.000 -0.178 0.000 0.801 371 A HN 0.300 nan 8.150 nan 0.000 0.452 372 S N -1.654 113.871 115.700 -0.291 0.000 2.470 372 S HA 0.357 4.828 4.470 0.002 0.000 0.222 372 S C 1.263 175.782 174.600 -0.135 0.000 1.024 372 S CA 0.631 58.661 58.200 -0.283 0.000 0.931 372 S CB 0.090 62.985 63.200 -0.507 0.000 0.791 372 S HN 1.650 nan 8.310 nan 0.000 0.513 373 G N 1.548 110.298 108.800 -0.083 0.000 2.341 373 G HA2 0.076 4.037 3.960 0.002 0.000 0.278 373 G HA3 0.076 4.037 3.960 0.002 0.000 0.278 373 G C -0.197 174.715 174.900 0.020 0.000 1.111 373 G CA 0.021 45.106 45.100 -0.025 0.000 0.982 373 G HN 0.865 nan 8.290 nan 0.000 0.502 374 A N -0.544 122.328 122.820 0.086 0.000 2.539 374 A HA 0.925 5.247 4.320 0.002 0.000 0.296 374 A C 0.246 177.963 177.584 0.221 0.000 1.073 374 A CA 0.223 52.363 52.037 0.172 0.000 0.700 374 A CB 1.304 20.451 19.000 0.244 0.000 1.296 374 A HN 1.308 nan 8.150 nan 0.000 0.405 375 S N 0.276 116.060 115.700 0.140 0.000 2.523 375 S HA 0.529 5.001 4.470 0.002 0.000 0.275 375 S C -0.474 174.090 174.600 -0.059 0.000 1.281 375 S CA -0.177 58.045 58.200 0.038 0.000 1.050 375 S CB 0.709 63.919 63.200 0.018 0.000 0.937 375 S HN 0.908 nan 8.310 nan 0.000 0.492 376 L N 3.115 124.198 121.223 -0.233 0.000 2.401 376 L HA 0.632 4.973 4.340 0.002 0.000 0.266 376 L C -0.910 175.774 176.870 -0.309 0.000 0.991 376 L CA -0.450 54.093 54.840 -0.495 0.000 0.818 376 L CB 1.748 43.189 42.059 -1.031 0.000 1.321 376 L HN 0.603 nan 8.230 nan 0.000 0.413 377 R N 4.079 124.437 120.500 -0.238 0.000 2.480 377 R HA 0.582 4.924 4.340 0.002 0.000 0.306 377 R C -1.481 174.735 176.300 -0.140 0.000 0.958 377 R CA -0.881 55.116 56.100 -0.172 0.000 0.861 377 R CB 1.674 31.941 30.300 -0.055 0.000 1.171 377 R HN 0.419 nan 8.270 nan 0.000 0.445 378 L N 4.998 126.071 121.223 -0.250 0.000 2.407 378 L HA 0.244 4.585 4.340 0.002 0.000 0.261 378 L C 0.228 177.120 176.870 0.037 0.000 1.108 378 L CA -0.051 54.647 54.840 -0.238 0.000 0.995 378 L CB -0.271 41.355 42.059 -0.722 0.000 1.349 378 L HN 0.523 nan 8.230 nan 0.000 0.423 379 H N 1.220 120.387 119.070 0.161 0.000 2.639 379 H HA 0.415 4.972 4.556 0.002 0.000 0.373 379 H C -0.363 175.100 175.328 0.226 0.000 1.372 379 H CA -0.000 56.136 56.048 0.147 0.000 1.448 379 H CB 1.011 30.811 29.762 0.064 0.000 1.544 379 H HN 0.265 nan 8.280 nan 0.000 0.615 380 T N 1.769 116.400 114.554 0.129 0.000 3.237 380 T HA 0.197 4.548 4.350 0.002 0.000 0.319 380 T C -0.108 174.376 174.700 -0.359 0.000 1.037 380 T CA -0.727 61.273 62.100 -0.168 0.000 1.048 380 T CB 0.935 69.637 68.868 -0.276 0.000 1.081 380 T HN 0.270 nan 8.240 nan 0.000 0.455 381 L N 3.929 124.983 121.223 -0.282 0.000 2.363 381 L HA 0.284 4.625 4.340 0.002 0.000 0.286 381 L C 0.654 177.380 176.870 -0.240 0.000 1.106 381 L CA -0.288 54.426 54.840 -0.210 0.000 0.859 381 L CB -0.033 41.951 42.059 -0.124 0.000 1.223 381 L HN 0.803 nan 8.230 nan 0.000 0.446 382 H N 1.936 120.998 119.070 -0.013 0.000 2.669 382 H HA 0.286 4.843 4.556 0.002 0.000 0.297 382 H C 0.604 175.928 175.328 -0.006 0.000 1.071 382 H CA -0.178 55.852 56.048 -0.031 0.000 1.182 382 H CB 0.079 29.831 29.762 -0.016 0.000 1.343 382 H HN 0.642 nan 8.280 nan 0.000 0.582 383 A N 0.329 123.210 122.820 0.100 0.000 2.301 383 A HA 0.339 4.660 4.320 0.002 0.000 0.312 383 A C -0.391 177.335 177.584 0.237 0.000 1.182 383 A CA -0.755 51.411 52.037 0.215 0.000 0.826 383 A CB 0.381 19.479 19.000 0.164 0.000 1.134 383 A HN 0.417 nan 8.150 nan 0.000 0.501 384 H N 1.568 120.738 119.070 0.167 0.000 2.711 384 H HA 0.241 4.799 4.556 0.002 0.000 0.381 384 H C -1.931 173.432 175.328 0.059 0.000 1.535 384 H CA -0.545 55.558 56.048 0.091 0.000 1.470 384 H CB -0.594 29.196 29.762 0.046 0.000 1.551 384 H HN 0.440 nan 8.280 nan 0.000 0.613 385 P HA -0.072 nan 4.420 nan 0.000 0.278 385 P C -0.119 176.852 177.300 -0.550 0.000 1.270 385 P CA -0.007 62.980 63.100 -0.187 0.000 0.800 385 P CB 0.310 31.930 31.700 -0.132 0.000 1.142 386 S N 0.391 115.526 115.700 -0.942 0.000 3.806 386 S HA -0.041 4.430 4.470 0.002 0.000 0.218 386 S C -0.321 173.995 174.600 -0.473 0.000 1.146 386 S CA 0.164 57.604 58.200 -1.266 0.000 1.030 386 S CB -1.718 60.971 63.200 -0.852 0.000 1.617 386 S HN 0.175 nan 8.310 nan 0.000 0.487 387 Q N 2.538 122.180 119.800 -0.262 0.000 2.798 387 Q HA 0.563 4.904 4.340 0.002 0.000 0.250 387 Q C 0.047 176.037 176.000 -0.017 0.000 1.006 387 Q CA -0.647 55.097 55.803 -0.097 0.000 0.759 387 Q CB 1.327 30.021 28.738 -0.072 0.000 1.201 387 Q HN 0.714 nan 8.270 nan 0.000 0.486 388 G N 0.669 109.477 108.800 0.013 0.000 2.362 388 G HA2 -0.117 3.844 3.960 0.002 0.000 0.656 388 G HA3 -0.117 3.844 3.960 0.002 0.000 0.656 388 G C -0.249 174.704 174.900 0.089 0.000 1.376 388 G CA -1.015 44.107 45.100 0.037 0.000 0.971 388 G HN 0.308 nan 8.290 nan 0.000 0.636 389 L N 0.869 122.127 121.223 0.059 0.000 2.465 389 L HA 0.061 4.402 4.340 0.002 0.000 0.224 389 L C 3.114 180.027 176.870 0.072 0.000 1.145 389 L CA 2.415 57.294 54.840 0.064 0.000 0.834 389 L CB -1.362 40.718 42.059 0.034 0.000 0.944 389 L HN 0.958 nan 8.230 nan 0.000 0.451 390 A N -0.300 122.565 122.820 0.074 0.000 1.933 390 A HA -0.271 4.051 4.320 0.002 0.000 0.218 390 A C 2.165 179.811 177.584 0.104 0.000 1.175 390 A CA 1.275 53.354 52.037 0.070 0.000 0.628 390 A CB -0.695 18.340 19.000 0.058 0.000 0.814 390 A HN 0.353 nan 8.150 nan 0.000 0.444 391 F N 0.809 120.766 119.950 0.010 0.000 2.075 391 F HA -0.183 4.345 4.527 0.002 0.000 0.297 391 F C 2.301 178.104 175.800 0.005 0.000 1.113 391 F CA 2.181 60.191 58.000 0.016 0.000 1.218 391 F CB -0.308 38.700 39.000 0.012 0.000 0.984 391 F HN 0.225 nan 8.300 nan 0.000 0.472 392 R N 0.659 121.216 120.500 0.095 0.000 2.139 392 R HA -0.234 4.107 4.340 0.002 0.000 0.243 392 R C 2.095 178.342 176.300 -0.089 0.000 1.145 392 R CA 1.915 58.010 56.100 -0.010 0.000 0.976 392 R CB -0.667 29.667 30.300 0.057 0.000 0.866 392 R HN 0.371 nan 8.270 nan 0.000 0.449 393 E N -0.164 120.003 120.200 -0.055 0.000 2.046 393 E HA 0.023 4.374 4.350 0.002 0.000 0.190 393 E C 1.762 178.307 176.600 -0.091 0.000 0.982 393 E CA 1.610 57.978 56.400 -0.053 0.000 0.800 393 E CB -0.457 29.234 29.700 -0.015 0.000 0.756 393 E HN 0.364 nan 8.360 nan 0.000 0.449 394 A N 0.666 123.412 122.820 -0.123 0.000 1.978 394 A HA -0.136 4.186 4.320 0.002 0.000 0.220 394 A C 2.297 179.756 177.584 -0.209 0.000 1.170 394 A CA 1.417 53.371 52.037 -0.139 0.000 0.636 394 A CB -0.667 18.251 19.000 -0.136 0.000 0.810 394 A HN 0.337 nan 8.150 nan 0.000 0.448 395 L N -1.434 119.598 121.223 -0.318 0.000 2.023 395 L HA -0.123 4.218 4.340 0.002 0.000 0.205 395 L C 2.789 179.556 176.870 -0.171 0.000 1.073 395 L CA 1.570 56.232 54.840 -0.297 0.000 0.745 395 L CB -0.581 41.257 42.059 -0.368 0.000 0.900 395 L HN 0.439 nan 8.230 nan 0.000 0.435 396 R N 0.947 121.367 120.500 -0.132 0.000 2.091 396 R HA -0.244 4.097 4.340 0.002 0.000 0.238 396 R C 2.349 178.605 176.300 -0.074 0.000 1.136 396 R CA 1.936 57.986 56.100 -0.084 0.000 0.959 396 R CB -0.124 30.140 30.300 -0.061 0.000 0.856 396 R HN 0.231 nan 8.270 nan 0.000 0.437 397 K N -0.179 120.177 120.400 -0.073 0.000 2.009 397 K HA -0.146 4.175 4.320 0.002 0.000 0.210 397 K C 1.976 178.538 176.600 -0.063 0.000 1.049 397 K CA 1.587 57.843 56.287 -0.052 0.000 0.929 397 K CB -0.223 32.255 32.500 -0.037 0.000 0.714 397 K HN 0.260 nan 8.250 nan 0.000 0.440 398 A N 1.591 124.355 122.820 -0.094 0.000 1.908 398 A HA -0.195 4.126 4.320 0.002 0.000 0.218 398 A C 2.092 179.585 177.584 -0.151 0.000 1.181 398 A CA 1.610 53.566 52.037 -0.134 0.000 0.627 398 A CB -0.468 18.436 19.000 -0.161 0.000 0.818 398 A HN 0.200 nan 8.150 nan 0.000 0.445 399 K N -0.224 120.107 120.400 -0.116 0.000 2.155 399 K HA -0.094 4.227 4.320 0.002 0.000 0.203 399 K C 1.909 178.466 176.600 -0.071 0.000 1.052 399 K CA 1.530 57.760 56.287 -0.094 0.000 0.948 399 K CB -0.191 32.264 32.500 -0.074 0.000 0.728 399 K HN 0.698 nan 8.250 nan 0.000 0.448 400 E N 0.690 120.854 120.200 -0.060 0.000 2.106 400 E HA -0.137 4.214 4.350 0.002 0.000 0.192 400 E C 1.060 177.640 176.600 -0.033 0.000 0.984 400 E CA 0.909 57.285 56.400 -0.039 0.000 0.806 400 E CB 0.171 29.852 29.700 -0.031 0.000 0.750 400 E HN 0.309 nan 8.360 nan 0.000 0.458 401 E N -1.147 119.028 120.200 -0.041 0.000 2.516 401 E HA -0.018 4.333 4.350 0.002 0.000 0.199 401 E C 0.745 177.325 176.600 -0.034 0.000 1.069 401 E CA 0.341 56.731 56.400 -0.017 0.000 0.876 401 E CB 0.294 30.001 29.700 0.011 0.000 0.843 401 E HN 0.474 nan 8.360 nan 0.000 0.530 402 G N 0.554 109.313 108.800 -0.067 0.000 2.179 402 G HA2 -0.249 3.712 3.960 0.002 0.000 0.220 402 G HA3 -0.249 3.712 3.960 0.002 0.000 0.220 402 G C 0.396 175.225 174.900 -0.117 0.000 0.990 402 G CA 0.006 45.069 45.100 -0.062 0.000 0.646 402 G HN 0.150 nan 8.290 nan 0.000 0.517 403 V N 0.853 120.631 119.914 -0.227 0.000 2.763 403 V HA 0.243 4.364 4.120 0.002 0.000 0.306 403 V C 1.347 177.377 176.094 -0.107 0.000 1.059 403 V CA 1.384 63.540 62.300 -0.240 0.000 1.138 403 V CB 1.465 33.105 31.823 -0.305 0.000 0.940 403 V HN 0.540 nan 8.190 nan 0.000 0.489 404 Q N 2.511 122.277 119.800 -0.058 0.000 2.214 404 Q HA 0.589 4.931 4.340 0.002 0.000 0.229 404 Q C 0.152 176.149 176.000 -0.006 0.000 0.835 404 Q CA 0.483 56.276 55.803 -0.016 0.000 0.953 404 Q CB 1.408 30.155 28.738 0.015 0.000 1.131 404 Q HN 0.867 nan 8.270 nan 0.000 0.501 405 A N 0.204 123.016 122.820 -0.013 0.000 2.590 405 A HA 0.582 4.903 4.320 0.002 0.000 0.294 405 A C -1.580 175.997 177.584 -0.013 0.000 1.046 405 A CA -0.555 51.476 52.037 -0.009 0.000 0.684 405 A CB 1.231 20.236 19.000 0.009 0.000 1.279 405 A HN -0.036 nan 8.150 nan 0.000 0.415 406 V N 1.179 121.074 119.914 -0.032 0.000 2.680 406 V HA 0.639 4.761 4.120 0.002 0.000 0.309 406 V C -0.776 175.286 176.094 -0.053 0.000 1.052 406 V CA -0.590 61.684 62.300 -0.043 0.000 0.908 406 V CB 1.632 33.417 31.823 -0.063 0.000 1.001 406 V HN 0.892 nan 8.190 nan 0.000 0.431 407 L N 5.401 126.579 121.223 -0.075 0.000 2.272 407 L HA 0.606 4.947 4.340 0.002 0.000 0.289 407 L C -0.430 176.347 176.870 -0.155 0.000 1.032 407 L CA 0.122 54.901 54.840 -0.101 0.000 0.810 407 L CB 1.500 43.487 42.059 -0.119 0.000 1.205 407 L HN 0.486 nan 8.230 nan 0.000 0.422 408 V N 6.909 126.752 119.914 -0.118 0.000 2.328 408 V HA 0.332 4.453 4.120 0.002 0.000 0.278 408 V C 0.154 176.182 176.094 -0.110 0.000 1.021 408 V CA -0.534 61.697 62.300 -0.114 0.000 0.838 408 V CB 1.199 32.971 31.823 -0.084 0.000 0.999 408 V HN 0.557 nan 8.190 nan 0.000 0.447 409 L N 5.050 126.191 121.223 -0.137 0.000 2.270 409 L HA 0.579 4.920 4.340 0.002 0.000 0.286 409 L C 0.233 177.051 176.870 -0.086 0.000 1.059 409 L CA 0.392 55.162 54.840 -0.116 0.000 0.839 409 L CB 1.254 43.214 42.059 -0.165 0.000 1.221 409 L HN 0.787 nan 8.230 nan 0.000 0.431 410 T N 4.023 118.543 114.554 -0.057 0.000 2.923 410 T HA 0.498 4.850 4.350 0.002 0.000 0.311 410 T C -2.735 171.952 174.700 -0.022 0.000 1.183 410 T CA -1.635 60.438 62.100 -0.045 0.000 1.020 410 T CB 2.178 71.016 68.868 -0.050 0.000 1.165 410 T HN 0.070 nan 8.240 nan 0.000 0.482 411 P HA 0.265 nan 4.420 nan 0.000 0.270 411 P C -2.567 174.737 177.300 0.005 0.000 1.223 411 P CA -0.833 62.267 63.100 -0.001 0.000 0.785 411 P CB -0.294 31.405 31.700 -0.003 0.000 0.923 412 P HA 0.015 nan 4.420 nan 0.000 0.261 412 P C -0.466 176.851 177.300 0.027 0.000 1.173 412 P CA 1.191 64.308 63.100 0.029 0.000 0.760 412 P CB 0.129 31.852 31.700 0.040 0.000 0.783 413 M N 2.046 121.665 119.600 0.032 0.000 2.578 413 M HA 0.562 5.044 4.480 0.002 0.000 0.321 413 M C 0.335 176.679 176.300 0.074 0.000 1.182 413 M CA -1.000 54.319 55.300 0.032 0.000 0.965 413 M CB 1.936 34.539 32.600 0.005 0.000 1.694 413 M HN 0.234 nan 8.290 nan 0.000 0.461 414 A N 1.600 124.470 122.820 0.083 0.000 2.425 414 A HA 0.067 4.388 4.320 0.002 0.000 0.242 414 A C 0.526 178.246 177.584 0.226 0.000 1.077 414 A CA -0.331 51.794 52.037 0.147 0.000 0.781 414 A CB -0.025 19.052 19.000 0.128 0.000 1.020 414 A HN 1.135 nan 8.150 nan 0.000 0.494 415 W N 2.322 123.636 121.300 0.023 0.000 2.825 415 W HA -0.034 4.627 4.660 0.002 0.000 0.243 415 W C 0.626 177.168 176.519 0.039 0.000 1.293 415 W CA 1.256 58.621 57.345 0.032 0.000 1.403 415 W CB -0.514 28.971 29.460 0.040 0.000 1.134 415 W HN 0.899 nan 8.180 nan 0.000 0.666 416 E N 1.000 121.342 120.200 0.236 0.000 2.033 416 E HA -0.113 4.238 4.350 0.002 0.000 0.189 416 E C 2.265 178.808 176.600 -0.095 0.000 0.979 416 E CA 1.803 58.214 56.400 0.018 0.000 0.802 416 E CB -0.771 29.047 29.700 0.196 0.000 0.763 416 E HN 0.370 nan 8.360 nan 0.000 0.449 417 D N 1.369 121.757 120.400 -0.020 0.000 2.263 417 D HA -0.161 4.480 4.640 0.002 0.000 0.208 417 D C 1.907 178.154 176.300 -0.088 0.000 0.971 417 D CA 1.271 55.245 54.000 -0.044 0.000 0.867 417 D CB -0.529 40.261 40.800 -0.016 0.000 0.929 417 D HN 0.019 nan 8.370 nan 0.000 0.492 418 R N -0.388 120.038 120.500 -0.123 0.000 2.075 418 R HA -0.073 4.268 4.340 0.002 0.000 0.226 418 R C 1.879 178.049 176.300 -0.217 0.000 1.114 418 R CA 1.300 57.308 56.100 -0.152 0.000 0.972 418 R CB -0.121 30.104 30.300 -0.125 0.000 0.869 418 R HN 0.266 nan 8.270 nan 0.000 0.437 419 N N 0.419 118.918 118.700 -0.335 0.000 2.331 419 N HA -0.084 4.657 4.740 0.002 0.000 0.180 419 N C 1.627 177.070 175.510 -0.112 0.000 1.019 419 N CA 0.761 53.650 53.050 -0.270 0.000 0.881 419 N CB 0.014 38.194 38.487 -0.512 0.000 0.972 419 N HN 0.173 nan 8.380 nan 0.000 0.435 420 R N -0.057 120.376 120.500 -0.111 0.000 2.061 420 R HA -0.059 4.282 4.340 0.002 0.000 0.230 420 R C 1.854 178.137 176.300 -0.028 0.000 1.140 420 R CA 1.010 57.081 56.100 -0.048 0.000 0.940 420 R CB -0.585 29.688 30.300 -0.045 0.000 0.839 420 R HN 0.128 nan 8.270 nan 0.000 0.429 421 L N 1.793 122.986 121.223 -0.050 0.000 2.013 421 L HA -0.222 4.119 4.340 0.002 0.000 0.212 421 L C 1.748 178.609 176.870 -0.016 0.000 1.073 421 L CA 1.945 56.766 54.840 -0.031 0.000 0.753 421 L CB -0.545 41.479 42.059 -0.058 0.000 0.890 421 L HN 0.149 nan 8.230 nan 0.000 0.432 422 K N -1.053 119.306 120.400 -0.067 0.000 2.211 422 K HA -0.123 4.198 4.320 0.002 0.000 0.204 422 K C 1.985 178.616 176.600 0.051 0.000 1.047 422 K CA 1.167 57.401 56.287 -0.088 0.000 0.935 422 K CB -0.255 32.073 32.500 -0.286 0.000 0.728 422 K HN 0.514 nan 8.250 nan 0.000 0.452 423 A N 1.022 123.890 122.820 0.080 0.000 1.897 423 A HA -0.111 4.210 4.320 0.002 0.000 0.215 423 A C 2.044 179.673 177.584 0.076 0.000 1.181 423 A CA 0.841 52.941 52.037 0.104 0.000 0.620 423 A CB -0.405 18.639 19.000 0.072 0.000 0.821 423 A HN 0.192 nan 8.150 nan 0.000 0.443 424 L N 0.082 121.345 121.223 0.068 0.000 1.970 424 L HA -0.167 4.174 4.340 0.002 0.000 0.212 424 L C 2.469 179.385 176.870 0.076 0.000 1.071 424 L CA 1.793 56.685 54.840 0.087 0.000 0.751 424 L CB -0.406 41.736 42.059 0.138 0.000 0.889 424 L HN 0.444 nan 8.230 nan 0.000 0.432 425 L N -1.364 119.902 121.223 0.072 0.000 1.989 425 L HA -0.255 4.086 4.340 0.002 0.000 0.211 425 L C 2.527 179.411 176.870 0.023 0.000 1.071 425 L CA 1.350 56.208 54.840 0.030 0.000 0.749 425 L CB -0.905 41.161 42.059 0.012 0.000 0.890 425 L HN 0.295 nan 8.230 nan 0.000 0.431 426 L N 0.128 121.382 121.223 0.052 0.000 2.261 426 L HA -0.209 4.132 4.340 0.002 0.000 0.216 426 L C 2.697 179.598 176.870 0.052 0.000 1.114 426 L CA 1.243 56.128 54.840 0.075 0.000 0.777 426 L CB -0.401 41.753 42.059 0.158 0.000 0.910 426 L HN 0.145 nan 8.230 nan 0.000 0.440 427 R N 0.248 120.773 120.500 0.043 0.000 2.070 427 R HA -0.141 4.200 4.340 0.002 0.000 0.233 427 R C 1.825 178.130 176.300 0.008 0.000 1.137 427 R CA 1.734 57.850 56.100 0.026 0.000 0.945 427 R CB -0.522 29.795 30.300 0.027 0.000 0.845 427 R HN 0.309 nan 8.270 nan 0.000 0.430 428 E N -0.426 119.773 120.200 -0.002 0.000 2.512 428 E HA 0.093 4.445 4.350 0.002 0.000 0.195 428 E C 0.596 177.183 176.600 -0.022 0.000 1.083 428 E CA 0.787 57.174 56.400 -0.022 0.000 0.873 428 E CB 0.026 29.698 29.700 -0.047 0.000 0.897 428 E HN 0.628 nan 8.360 nan 0.000 0.514 429 G N 1.107 109.904 108.800 -0.004 0.000 2.136 429 G HA2 -0.283 3.678 3.960 0.002 0.000 0.242 429 G HA3 -0.283 3.678 3.960 0.002 0.000 0.242 429 G C 0.173 175.072 174.900 -0.002 0.000 0.989 429 G CA 0.086 45.186 45.100 0.001 0.000 0.682 429 G HN 0.263 nan 8.290 nan 0.000 0.522 430 L N 1.198 122.415 121.223 -0.009 0.000 2.287 430 L HA 0.360 4.701 4.340 0.002 0.000 0.280 430 L C -1.776 175.088 176.870 -0.010 0.000 1.055 430 L CA -2.088 52.739 54.840 -0.021 0.000 0.863 430 L CB 1.209 43.237 42.059 -0.051 0.000 1.245 430 L HN -0.110 nan 8.230 nan 0.000 0.432 431 P HA 0.086 nan 4.420 nan 0.000 0.272 431 P C -0.608 176.656 177.300 -0.060 0.000 1.248 431 P CA 0.007 63.105 63.100 -0.004 0.000 0.799 431 P CB 0.757 32.472 31.700 0.026 0.000 0.997 432 S N -0.884 114.739 115.700 -0.128 0.000 2.570 432 S HA 0.673 5.145 4.470 0.002 0.000 0.270 432 S C -1.552 172.932 174.600 -0.194 0.000 1.149 432 S CA -0.760 57.349 58.200 -0.151 0.000 0.837 432 S CB 1.858 64.959 63.200 -0.165 0.000 1.124 432 S HN 0.383 nan 8.310 nan 0.000 0.465 433 Q N 1.113 120.828 119.800 -0.143 0.000 2.271 433 Q HA 0.593 4.935 4.340 0.002 0.000 0.268 433 Q C -1.744 174.197 176.000 -0.100 0.000 1.021 433 Q CA -0.562 55.166 55.803 -0.126 0.000 0.802 433 Q CB 1.108 29.802 28.738 -0.073 0.000 1.282 433 Q HN 0.758 nan 8.270 nan 0.000 0.431 434 I N 4.327 124.837 120.570 -0.100 0.000 2.532 434 I HA 0.442 4.614 4.170 0.002 0.000 0.292 434 I C -0.411 175.688 176.117 -0.030 0.000 1.014 434 I CA -0.673 60.585 61.300 -0.070 0.000 1.340 434 I CB 1.236 39.194 38.000 -0.070 0.000 1.422 434 I HN 0.812 nan 8.210 nan 0.000 0.528 435 L N 5.860 127.071 121.223 -0.020 0.000 2.620 435 L HA 0.360 4.701 4.340 0.002 0.000 0.261 435 L C -0.852 176.025 176.870 0.012 0.000 0.978 435 L CA -0.570 54.279 54.840 0.015 0.000 0.897 435 L CB 0.920 42.994 42.059 0.025 0.000 1.207 435 L HN 0.503 nan 8.230 nan 0.000 0.425 436 N N 3.104 121.821 118.700 0.029 0.000 2.412 436 N HA -0.058 4.683 4.740 0.002 0.000 0.258 436 N C 1.102 176.633 175.510 0.034 0.000 1.236 436 N CA 0.142 53.209 53.050 0.029 0.000 0.882 436 N CB 1.816 40.329 38.487 0.042 0.000 1.066 436 N HN 0.514 nan 8.380 nan 0.000 0.465 437 V N 4.159 124.082 119.914 0.015 0.000 2.277 437 V HA -0.179 3.942 4.120 0.002 0.000 0.253 437 V C -1.287 174.829 176.094 0.037 0.000 1.067 437 V CA 1.492 63.800 62.300 0.013 0.000 1.047 437 V CB -0.984 30.837 31.823 -0.004 0.000 0.649 437 V HN 0.696 nan 8.190 nan 0.000 0.447 438 P HA 0.256 nan 4.420 nan 0.000 0.263 438 P C -1.007 176.344 177.300 0.084 0.000 1.345 438 P CA 0.471 63.605 63.100 0.057 0.000 1.119 438 P CB 0.118 31.849 31.700 0.053 0.000 1.363 439 L N 4.355 125.640 121.223 0.103 0.000 2.386 439 L HA 0.549 4.890 4.340 0.002 0.000 0.271 439 L C -0.407 176.557 176.870 0.156 0.000 0.993 439 L CA -0.640 54.295 54.840 0.159 0.000 0.819 439 L CB 1.756 43.933 42.059 0.198 0.000 1.294 439 L HN 0.137 nan 8.230 nan 0.000 0.414 440 R N 3.246 123.801 120.500 0.092 0.000 2.621 440 R HA 0.364 4.706 4.340 0.002 0.000 0.292 440 R C 0.571 176.683 176.300 -0.313 0.000 0.969 440 R CA -0.784 55.283 56.100 -0.055 0.000 0.887 440 R CB 1.953 32.247 30.300 -0.011 0.000 1.180 440 R HN 0.665 nan 8.270 nan 0.000 0.450 441 E N 2.075 121.848 120.200 -0.712 0.000 2.170 441 E HA -0.325 4.026 4.350 0.002 0.000 0.229 441 E C 1.012 177.439 176.600 -0.288 0.000 1.074 441 E CA 2.711 58.520 56.400 -0.985 0.000 0.930 441 E CB 0.049 29.424 29.700 -0.542 0.000 0.806 441 E HN 0.816 nan 8.360 nan 0.000 0.478 442 E N 1.565 121.704 120.200 -0.102 0.000 2.441 442 E HA -0.060 4.291 4.350 0.002 0.000 0.210 442 E C 0.343 177.004 176.600 0.103 0.000 1.306 442 E CA 0.357 56.778 56.400 0.035 0.000 1.307 442 E CB -0.955 28.751 29.700 0.011 0.000 1.297 442 E HN 0.324 nan 8.360 nan 0.000 0.440 443 E N -0.809 119.524 120.200 0.223 0.000 2.815 443 E HA 0.200 4.551 4.350 0.002 0.000 0.211 443 E C 2.157 178.851 176.600 0.156 0.000 1.004 443 E CA 0.137 56.673 56.400 0.227 0.000 1.173 443 E CB 0.456 30.318 29.700 0.270 0.000 1.163 443 E HN 0.457 nan 8.360 nan 0.000 0.449 444 R N 0.368 120.872 120.500 0.006 0.000 2.208 444 R HA -0.296 4.046 4.340 0.002 0.000 0.262 444 R C 1.847 177.831 176.300 -0.526 0.000 1.166 444 R CA 2.534 58.344 56.100 -0.483 0.000 0.987 444 R CB -1.576 28.588 30.300 -0.227 0.000 0.887 444 R HN 0.344 nan 8.270 nan 0.000 0.459 445 H N -0.408 118.505 119.070 -0.261 0.000 2.299 445 H HA 0.060 4.617 4.556 0.002 0.000 0.302 445 H C 2.356 177.596 175.328 -0.146 0.000 1.078 445 H CA 1.951 57.887 56.048 -0.186 0.000 1.323 445 H CB -0.088 29.628 29.762 -0.078 0.000 1.381 445 H HN 0.504 nan 8.280 nan 0.000 0.498 446 R N 0.022 120.419 120.500 -0.172 0.000 2.070 446 R HA -0.121 4.220 4.340 0.002 0.000 0.232 446 R C 2.556 178.846 176.300 -0.016 0.000 1.138 446 R CA 1.800 57.831 56.100 -0.114 0.000 0.936 446 R CB -0.586 29.764 30.300 0.084 0.000 0.839 446 R HN 0.640 nan 8.270 nan 0.000 0.429 447 W N 0.944 122.261 121.300 0.028 0.000 2.402 447 W HA -0.070 4.591 4.660 0.002 0.000 0.286 447 W C 0.920 177.473 176.519 0.056 0.000 1.221 447 W CA 0.449 57.837 57.345 0.071 0.000 1.257 447 W CB -0.566 28.999 29.460 0.175 0.000 1.120 447 W HN 0.115 nan 8.180 nan 0.000 0.551 448 E N 1.133 121.104 120.200 -0.381 0.000 2.153 448 E HA -0.192 4.159 4.350 0.002 0.000 0.194 448 E C 1.722 178.260 176.600 -0.104 0.000 0.988 448 E CA 1.587 57.801 56.400 -0.310 0.000 0.811 448 E CB -0.184 29.206 29.700 -0.518 0.000 0.746 448 E HN 0.330 nan 8.360 nan 0.000 0.466 449 N N 0.888 119.494 118.700 -0.156 0.000 2.135 449 N HA -0.075 4.666 4.740 0.002 0.000 0.186 449 N C 1.724 177.221 175.510 -0.021 0.000 1.027 449 N CA 1.251 54.233 53.050 -0.113 0.000 0.849 449 N CB -0.340 38.027 38.487 -0.201 0.000 1.002 449 N HN 0.108 nan 8.380 nan 0.000 0.425 450 A N 0.662 123.496 122.820 0.024 0.000 1.927 450 A HA -0.152 4.169 4.320 0.002 0.000 0.220 450 A C 1.966 179.599 177.584 0.081 0.000 1.185 450 A CA 1.285 53.358 52.037 0.061 0.000 0.639 450 A CB -0.836 18.230 19.000 0.111 0.000 0.820 450 A HN 0.184 nan 8.150 nan 0.000 0.451 451 L N -0.730 120.582 121.223 0.147 0.000 2.131 451 L HA -0.090 4.251 4.340 0.002 0.000 0.210 451 L C 2.416 179.330 176.870 0.072 0.000 1.092 451 L CA 1.334 56.276 54.840 0.170 0.000 0.759 451 L CB -0.699 41.531 42.059 0.285 0.000 0.903 451 L HN 0.394 nan 8.230 nan 0.000 0.435 452 L N -1.636 119.597 121.223 0.017 0.000 2.109 452 L HA -0.080 4.261 4.340 0.002 0.000 0.207 452 L C 2.441 179.270 176.870 -0.067 0.000 1.086 452 L CA 1.152 55.956 54.840 -0.060 0.000 0.760 452 L CB -0.979 41.032 42.059 -0.080 0.000 0.910 452 L HN 0.361 nan 8.230 nan 0.000 0.437 453 G N -0.310 108.471 108.800 -0.031 0.000 2.402 453 G HA2 -0.208 3.753 3.960 0.002 0.000 0.216 453 G HA3 -0.208 3.753 3.960 0.002 0.000 0.216 453 G C 1.583 176.425 174.900 -0.096 0.000 1.162 453 G CA 0.187 45.248 45.100 -0.065 0.000 0.777 453 G HN 0.176 nan 8.290 nan 0.000 0.539 454 L N 0.058 121.258 121.223 -0.039 0.000 2.012 454 L HA -0.019 4.322 4.340 0.002 0.000 0.210 454 L C 2.868 179.728 176.870 -0.016 0.000 1.073 454 L CA 1.486 56.319 54.840 -0.012 0.000 0.748 454 L CB -0.352 41.740 42.059 0.055 0.000 0.891 454 L HN 0.246 nan 8.230 nan 0.000 0.431 455 L N -0.609 120.593 121.223 -0.035 0.000 2.072 455 L HA -0.126 4.215 4.340 0.002 0.000 0.205 455 L C 2.832 179.634 176.870 -0.114 0.000 1.079 455 L CA 1.006 55.803 54.840 -0.072 0.000 0.752 455 L CB -0.686 41.241 42.059 -0.220 0.000 0.906 455 L HN 0.257 nan 8.230 nan 0.000 0.436 456 A N 0.231 122.954 122.820 -0.162 0.000 1.940 456 A HA -0.226 4.095 4.320 0.002 0.000 0.219 456 A C 2.312 179.800 177.584 -0.160 0.000 1.176 456 A CA 1.738 53.667 52.037 -0.181 0.000 0.631 456 A CB -0.331 18.506 19.000 -0.271 0.000 0.814 456 A HN 0.326 nan 8.150 nan 0.000 0.446 457 K N -0.423 119.872 120.400 -0.175 0.000 2.155 457 K HA 0.082 4.403 4.320 0.002 0.000 0.203 457 K C 1.952 178.576 176.600 0.040 0.000 1.052 457 K CA 0.826 57.098 56.287 -0.026 0.000 0.948 457 K CB -0.233 32.240 32.500 -0.045 0.000 0.728 457 K HN 0.410 nan 8.250 nan 0.000 0.448 458 A N 0.593 123.425 122.820 0.019 0.000 2.248 458 A HA 0.052 4.373 4.320 0.002 0.000 0.210 458 A C 1.435 179.055 177.584 0.060 0.000 1.174 458 A CA 1.164 53.228 52.037 0.045 0.000 0.750 458 A CB -0.652 18.387 19.000 0.064 0.000 0.780 458 A HN 0.463 nan 8.150 nan 0.000 0.478 459 G N -2.440 106.400 108.800 0.067 0.000 2.157 459 G HA2 -0.156 3.805 3.960 0.002 0.000 0.239 459 G HA3 -0.156 3.805 3.960 0.002 0.000 0.239 459 G C -0.029 174.910 174.900 0.065 0.000 0.982 459 G CA 0.186 45.331 45.100 0.076 0.000 0.650 459 G HN 0.840 nan 8.290 nan 0.000 0.527 460 L N 1.135 122.380 121.223 0.038 0.000 2.265 460 L HA 0.652 4.993 4.340 0.002 0.000 0.288 460 L C 0.633 177.477 176.870 -0.044 0.000 1.058 460 L CA -0.528 54.313 54.840 0.002 0.000 0.809 460 L CB 1.468 43.506 42.059 -0.035 0.000 1.179 460 L HN 0.259 nan 8.230 nan 0.000 0.429 461 Q N 3.701 123.510 119.800 0.014 0.000 2.678 461 Q HA 0.158 4.499 4.340 0.002 0.000 0.222 461 Q C 0.653 176.670 176.000 0.028 0.000 1.281 461 Q CA -0.245 55.589 55.803 0.053 0.000 0.994 461 Q CB 0.663 29.501 28.738 0.166 0.000 1.452 461 Q HN 0.794 nan 8.270 nan 0.000 0.570 462 V N 2.792 122.612 119.914 -0.157 0.000 2.231 462 V HA -0.195 3.926 4.120 0.002 0.000 0.250 462 V C 0.748 176.852 176.094 0.015 0.000 1.058 462 V CA 1.443 63.608 62.300 -0.224 0.000 1.022 462 V CB 0.054 31.676 31.823 -0.334 0.000 0.640 462 V HN 0.514 nan 8.190 nan 0.000 0.445 463 V N -1.953 117.927 119.914 -0.056 0.000 2.962 463 V HA 0.840 4.961 4.120 0.002 0.000 0.313 463 V C -0.447 175.499 176.094 -0.248 0.000 1.099 463 V CA -0.264 61.978 62.300 -0.097 0.000 0.971 463 V CB 1.782 33.520 31.823 -0.142 0.000 1.028 463 V HN 0.347 nan 8.190 nan 0.000 0.430 464 A N 3.315 125.858 122.820 -0.463 0.000 2.365 464 A HA 0.894 5.215 4.320 0.002 0.000 0.318 464 A C -1.081 176.304 177.584 -0.332 0.000 1.091 464 A CA -0.572 51.113 52.037 -0.586 0.000 0.763 464 A CB 1.107 19.274 19.000 -1.389 0.000 1.248 464 A HN 0.760 nan 8.150 nan 0.000 0.442 465 L N 2.111 123.220 121.223 -0.190 0.000 2.375 465 L HA 0.254 4.596 4.340 0.002 0.000 0.271 465 L C 1.956 178.851 176.870 0.040 0.000 1.107 465 L CA -0.013 54.796 54.840 -0.052 0.000 0.806 465 L CB 1.560 43.630 42.059 0.017 0.000 1.146 465 L HN 1.140 nan 8.230 nan 0.000 0.447 466 S N 2.379 118.116 115.700 0.061 0.000 2.433 466 S HA -0.123 4.348 4.470 0.002 0.000 0.283 466 S C 0.721 175.376 174.600 0.091 0.000 1.059 466 S CA 0.847 59.080 58.200 0.054 0.000 1.483 466 S CB -0.758 62.463 63.200 0.034 0.000 1.307 466 S HN 1.077 nan 8.310 nan 0.000 0.447 467 G N -1.252 107.616 108.800 0.114 0.000 2.315 467 G HA2 0.592 4.553 3.960 0.002 0.000 0.294 467 G HA3 0.592 4.553 3.960 0.002 0.000 0.294 467 G C -0.327 174.521 174.900 -0.086 0.000 1.300 467 G CA -0.073 45.095 45.100 0.113 0.000 0.843 467 G HN 1.848 nan 8.290 nan 0.000 0.527 468 A N -0.997 121.829 122.820 0.010 0.000 2.108 468 A HA 0.093 4.414 4.320 0.002 0.000 0.270 468 A C -0.516 176.953 177.584 -0.193 0.000 1.390 468 A CA 1.358 53.351 52.037 -0.074 0.000 0.729 468 A CB -2.254 16.668 19.000 -0.131 0.000 1.185 468 A HN 1.940 nan 8.150 nan 0.000 0.318 469 Y N 0.435 120.731 120.300 -0.007 0.000 2.598 469 Y HA 0.560 5.111 4.550 0.002 0.000 0.340 469 Y C -0.787 175.098 175.900 -0.025 0.000 1.038 469 Y CA -1.716 56.373 58.100 -0.018 0.000 1.100 469 Y CB 0.699 39.169 38.460 0.015 0.000 1.281 469 Y HN 0.266 nan 8.280 nan 0.000 0.488 470 P HA -0.113 nan 4.420 nan 0.000 0.213 470 P C -0.511 176.822 177.300 0.055 0.000 1.170 470 P CA 1.593 64.723 63.100 0.051 0.000 0.898 470 P CB 0.062 31.771 31.700 0.015 0.000 0.787 471 A N 0.073 122.929 122.820 0.059 0.000 2.310 471 A HA 0.265 4.586 4.320 0.002 0.000 0.299 471 A C 0.848 178.450 177.584 0.030 0.000 1.147 471 A CA -0.426 51.626 52.037 0.024 0.000 0.818 471 A CB 0.394 19.398 19.000 0.008 0.000 1.096 471 A HN 0.281 nan 8.150 nan 0.000 0.495 472 E N 0.977 121.181 120.200 0.005 0.000 2.481 472 E HA 0.324 4.675 4.350 0.002 0.000 0.198 472 E C -0.528 176.093 176.600 0.035 0.000 1.027 472 E CA -0.156 56.282 56.400 0.062 0.000 0.900 472 E CB 0.185 29.961 29.700 0.126 0.000 0.993 472 E HN 0.356 nan 8.360 nan 0.000 0.482 473 L N 0.852 122.009 121.223 -0.110 0.000 2.562 473 L HA 0.646 4.987 4.340 0.002 0.000 0.266 473 L C -2.005 174.802 176.870 -0.105 0.000 0.949 473 L CA -0.684 54.052 54.840 -0.175 0.000 0.879 473 L CB 2.043 43.742 42.059 -0.600 0.000 1.278 473 L HN 0.064 nan 8.230 nan 0.000 0.404 474 A N 4.434 127.220 122.820 -0.057 0.000 2.343 474 A HA 0.801 5.122 4.320 0.002 0.000 0.308 474 A C -1.443 176.115 177.584 -0.043 0.000 1.092 474 A CA -0.226 51.796 52.037 -0.025 0.000 0.751 474 A CB 1.757 20.753 19.000 -0.007 0.000 1.203 474 A HN 1.483 nan 8.150 nan 0.000 0.452 475 V N 2.270 122.174 119.914 -0.017 0.000 2.531 475 V HA 0.881 5.002 4.120 0.002 0.000 0.301 475 V C 0.256 176.298 176.094 -0.086 0.000 1.034 475 V CA 0.340 62.570 62.300 -0.117 0.000 0.865 475 V CB 1.412 33.094 31.823 -0.236 0.000 0.995 475 V HN 1.362 nan 8.190 nan 0.000 0.424 476 G N 4.884 113.593 108.800 -0.151 0.000 2.400 476 G HA2 0.645 4.606 3.960 0.002 0.000 0.301 476 G HA3 0.645 4.606 3.960 0.002 0.000 0.301 476 G C -1.289 173.478 174.900 -0.222 0.000 1.154 476 G CA -0.434 44.658 45.100 -0.013 0.000 0.852 476 G HN 0.629 nan 8.290 nan 0.000 0.511 477 F N 0.146 120.191 119.950 0.159 0.000 2.546 477 F HA 0.513 5.041 4.527 0.002 0.000 0.320 477 F C 0.007 176.042 175.800 0.391 0.000 1.076 477 F CA -0.930 57.215 58.000 0.241 0.000 0.928 477 F CB 2.780 41.902 39.000 0.203 0.000 1.189 477 F HN 0.332 nan 8.300 nan 0.000 0.465 478 D N 0.906 121.682 120.400 0.627 0.000 2.990 478 D HA 0.499 5.141 4.640 0.002 0.000 0.227 478 D C -1.037 175.409 176.300 0.243 0.000 1.249 478 D CA -0.313 53.941 54.000 0.424 0.000 0.891 478 D CB 2.262 43.267 40.800 0.343 0.000 1.647 478 D HN 0.645 nan 8.370 nan 0.000 0.530 479 A N 2.151 124.904 122.820 -0.112 0.000 2.589 479 A HA 0.539 4.860 4.320 0.002 0.000 0.283 479 A C 1.005 178.518 177.584 -0.119 0.000 1.187 479 A CA 0.304 52.132 52.037 -0.348 0.000 0.957 479 A CB -0.100 18.305 19.000 -0.991 0.000 1.175 479 A HN 0.922 nan 8.150 nan 0.000 0.532 480 G N -0.224 108.530 108.800 -0.076 0.000 2.137 480 G HA2 0.157 4.118 3.960 0.002 0.000 0.241 480 G HA3 0.157 4.118 3.960 0.002 0.000 0.241 480 G C 1.537 176.122 174.900 -0.524 0.000 0.689 480 G CA 1.052 45.812 45.100 -0.566 0.000 1.099 480 G HN 2.074 nan 8.290 nan 0.000 0.332 481 G N 1.604 110.222 108.800 -0.304 0.000 2.609 481 G HA2 -0.375 3.586 3.960 0.002 0.000 0.235 481 G HA3 -0.375 3.586 3.960 0.002 0.000 0.235 481 G C 0.858 175.662 174.900 -0.160 0.000 1.177 481 G CA 0.842 45.805 45.100 -0.227 0.000 0.707 481 G HN 1.160 nan 8.290 nan 0.000 0.513 482 R N 1.854 122.255 120.500 -0.166 0.000 2.446 482 R HA 0.445 4.786 4.340 0.002 0.000 0.314 482 R C 1.162 177.403 176.300 -0.099 0.000 1.003 482 R CA 0.692 56.737 56.100 -0.092 0.000 1.018 482 R CB 0.186 30.462 30.300 -0.041 0.000 0.945 482 R HN 0.642 nan 8.270 nan 0.000 0.419 483 E N 1.791 121.964 120.200 -0.045 0.000 2.385 483 E HA -0.000 4.351 4.350 0.002 0.000 0.201 483 E C 0.242 176.837 176.600 -0.007 0.000 1.250 483 E CA 0.505 56.892 56.400 -0.022 0.000 1.104 483 E CB -0.313 29.387 29.700 -0.000 0.000 1.174 483 E HN 0.695 nan 8.360 nan 0.000 0.461 484 S N -2.358 113.306 115.700 -0.060 0.000 2.586 484 S HA 0.504 4.975 4.470 0.002 0.000 0.277 484 S C -0.536 173.981 174.600 -0.138 0.000 1.131 484 S CA -0.696 57.490 58.200 -0.022 0.000 0.848 484 S CB 0.078 63.274 63.200 -0.008 0.000 1.091 484 S HN 0.221 nan 8.310 nan 0.000 0.453 485 F N 1.399 121.321 119.950 -0.046 0.000 2.663 485 F HA 0.434 4.962 4.527 0.002 0.000 0.299 485 F C 2.138 177.875 175.800 -0.104 0.000 1.143 485 F CA -0.384 57.584 58.000 -0.052 0.000 1.387 485 F CB 0.086 39.027 39.000 -0.098 0.000 1.019 485 F HN 0.587 nan 8.300 nan 0.000 0.523 486 R N -0.029 120.405 120.500 -0.112 0.000 2.046 486 R HA 0.005 4.346 4.340 0.002 0.000 0.223 486 R C 0.421 176.568 176.300 -0.255 0.000 1.179 486 R CA 0.882 56.790 56.100 -0.320 0.000 0.952 486 R CB -0.372 29.487 30.300 -0.734 0.000 0.843 486 R HN 0.048 nan 8.270 nan 0.000 0.439 487 F N 1.818 121.786 119.950 0.030 0.000 2.677 487 F HA 0.263 4.791 4.527 0.002 0.000 0.358 487 F C 1.037 176.867 175.800 0.050 0.000 1.266 487 F CA 0.913 58.934 58.000 0.036 0.000 1.262 487 F CB -0.296 38.720 39.000 0.026 0.000 1.684 487 F HN 0.477 nan 8.300 nan 0.000 0.671 488 G N -0.178 108.754 108.800 0.220 0.000 2.483 488 G HA2 0.457 4.418 3.960 0.002 0.000 0.521 488 G HA3 0.457 4.418 3.960 0.002 0.000 0.521 488 G C -0.478 174.509 174.900 0.145 0.000 1.278 488 G CA -0.365 44.843 45.100 0.181 0.000 0.965 488 G HN 1.293 nan 8.290 nan 0.000 0.504 489 G N -1.882 107.015 108.800 0.162 0.000 2.220 489 G HA2 0.712 4.673 3.960 0.002 0.000 0.232 489 G HA3 0.712 4.673 3.960 0.002 0.000 0.232 489 G C -0.530 174.448 174.900 0.130 0.000 1.680 489 G CA 1.190 46.458 45.100 0.281 0.000 0.922 489 G HN 2.641 nan 8.290 nan 0.000 0.723 490 A N 0.460 123.364 122.820 0.139 0.000 2.515 490 A HA 1.153 5.474 4.320 0.002 0.000 0.298 490 A C -0.122 177.335 177.584 -0.212 0.000 1.059 490 A CA 0.100 52.020 52.037 -0.195 0.000 0.698 490 A CB 1.791 20.700 19.000 -0.152 0.000 1.289 490 A HN 2.622 nan 8.150 nan 0.000 0.404 491 A N 0.047 122.532 122.820 -0.559 0.000 2.486 491 A HA 0.719 5.040 4.320 0.002 0.000 0.300 491 A C -0.434 176.795 177.584 -0.592 0.000 1.048 491 A CA -0.018 51.667 52.037 -0.587 0.000 0.696 491 A CB 0.725 19.287 19.000 -0.730 0.000 1.278 491 A HN 2.384 nan 8.150 nan 0.000 0.405 492 C N 0.809 119.891 119.300 -0.364 0.000 2.408 492 C HA 0.957 5.418 4.460 0.002 0.000 0.321 492 C C 0.232 175.087 174.990 -0.226 0.000 1.245 492 C CA -0.238 58.681 59.018 -0.166 0.000 1.523 492 C CB 0.380 28.166 27.740 0.076 0.000 2.178 492 C HN 1.701 nan 8.230 nan 0.000 0.488 493 A N 3.134 125.815 122.820 -0.231 0.000 2.330 493 A HA 0.833 5.155 4.320 0.002 0.000 0.327 493 A C -0.748 176.653 177.584 -0.304 0.000 1.155 493 A CA -0.487 51.413 52.037 -0.228 0.000 0.803 493 A CB 1.112 20.006 19.000 -0.177 0.000 1.208 493 A HN 1.239 nan 8.150 nan 0.000 0.477 494 V N 1.996 121.795 119.914 -0.192 0.000 2.448 494 V HA 0.454 4.575 4.120 0.002 0.000 0.295 494 V C 1.370 177.457 176.094 -0.011 0.000 1.025 494 V CA 0.197 62.410 62.300 -0.145 0.000 0.859 494 V CB 1.702 33.494 31.823 -0.052 0.000 0.988 494 V HN 1.184 nan 8.190 nan 0.000 0.431 495 G N 2.992 111.818 108.800 0.043 0.000 2.843 495 G HA2 0.323 4.284 3.960 0.002 0.000 0.205 495 G HA3 0.323 4.284 3.960 0.002 0.000 0.205 495 G C 0.852 175.846 174.900 0.157 0.000 1.160 495 G CA 0.518 45.714 45.100 0.160 0.000 0.819 495 G HN 1.614 nan 8.290 nan 0.000 0.516 496 G N -1.351 107.486 108.800 0.062 0.000 3.276 496 G HA2 0.376 4.337 3.960 0.002 0.000 0.679 496 G HA3 0.376 4.337 3.960 0.002 0.000 0.679 496 G C 0.187 175.063 174.900 -0.039 0.000 0.911 496 G CA 0.628 45.720 45.100 -0.014 0.000 0.797 496 G HN 1.851 nan 8.290 nan 0.000 0.503 497 D N 0.424 120.710 120.400 -0.190 0.000 2.705 497 D HA 0.334 4.975 4.640 0.002 0.000 0.240 497 D C 2.467 178.725 176.300 -0.070 0.000 1.137 497 D CA 1.712 55.632 54.000 -0.133 0.000 0.677 497 D CB -1.392 39.413 40.800 0.009 0.000 1.049 497 D HN 2.881 nan 8.370 nan 0.000 0.427 498 G N -1.580 107.197 108.800 -0.038 0.000 2.270 498 G HA2 0.029 3.990 3.960 0.002 0.000 0.268 498 G HA3 0.029 3.990 3.960 0.002 0.000 0.268 498 G C 1.648 176.607 174.900 0.099 0.000 0.982 498 G CA 1.288 46.400 45.100 0.021 0.000 0.628 498 G HN 2.283 nan 8.290 nan 0.000 0.544 499 G N 0.359 109.205 108.800 0.077 0.000 3.297 499 G HA2 0.296 4.257 3.960 0.002 0.000 0.225 499 G HA3 0.296 4.257 3.960 0.002 0.000 0.225 499 G C 0.417 175.393 174.900 0.127 0.000 1.171 499 G CA 0.607 45.763 45.100 0.092 0.000 1.652 499 G HN 1.139 nan 8.290 nan 0.000 0.564 500 H N -0.705 118.430 119.070 0.108 0.000 3.146 500 H HA -0.079 4.478 4.556 0.002 0.000 0.269 500 H C 0.910 176.276 175.328 0.064 0.000 0.847 500 H CA 0.269 56.380 56.048 0.104 0.000 1.422 500 H CB 0.316 30.160 29.762 0.137 0.000 1.274 500 H HN 0.257 nan 8.280 nan 0.000 0.534 501 L N 5.258 126.216 121.223 -0.441 0.000 2.630 501 L HA 0.689 5.030 4.340 0.002 0.000 0.170 501 L C 0.386 177.101 176.870 -0.257 0.000 1.724 501 L CA 0.944 55.654 54.840 -0.216 0.000 3.098 501 L CB -0.576 41.425 42.059 -0.097 0.000 2.970 501 L HN 0.628 nan 8.230 nan 0.000 0.834 502 L N -2.790 118.346 121.223 -0.145 0.000 2.192 502 L HA 0.608 4.949 4.340 0.002 0.000 0.250 502 L C -1.489 175.431 176.870 0.083 0.000 1.114 502 L CA -0.594 54.258 54.840 0.020 0.000 1.065 502 L CB 0.478 42.613 42.059 0.125 0.000 1.609 502 L HN 0.577 nan 8.230 nan 0.000 0.495 503 W N -0.631 120.645 121.300 -0.040 0.000 2.702 503 W HA 0.723 5.385 4.660 0.002 0.000 0.331 503 W C -0.157 176.332 176.519 -0.049 0.000 1.049 503 W CA 0.519 57.836 57.345 -0.046 0.000 1.230 503 W CB 1.978 31.430 29.460 -0.012 0.000 1.408 503 W HN 1.076 nan 8.180 nan 0.000 0.492 504 T N 4.880 118.862 114.554 -0.954 0.000 2.661 504 T HA 0.681 5.032 4.350 0.002 0.000 0.305 504 T C -1.809 172.374 174.700 -0.861 0.000 1.441 504 T CA -0.646 61.088 62.100 -0.610 0.000 0.999 504 T CB 0.409 69.107 68.868 -0.283 0.000 1.650 504 T HN 0.630 nan 8.240 nan 0.000 0.489 505 L N -1.347 119.613 121.223 -0.438 0.000 2.671 505 L HA 0.675 5.016 4.340 0.002 0.000 0.259 505 L C -3.010 173.770 176.870 -0.150 0.000 1.021 505 L CA -2.433 52.223 54.840 -0.307 0.000 0.871 505 L CB 0.252 42.150 42.059 -0.268 0.000 1.472 505 L HN 0.456 nan 8.230 nan 0.000 0.410 506 P HA -0.010 nan 4.420 nan 0.000 0.255 506 P C 0.145 177.422 177.300 -0.038 0.000 1.151 506 P CA 0.647 63.716 63.100 -0.051 0.000 0.767 506 P CB 0.398 32.092 31.700 -0.009 0.000 0.736 507 E N 2.124 122.298 120.200 -0.044 0.000 2.901 507 E HA 0.106 4.458 4.350 0.002 0.000 0.284 507 E C 0.378 176.971 176.600 -0.013 0.000 1.473 507 E CA 0.196 56.578 56.400 -0.029 0.000 1.292 507 E CB 0.267 29.945 29.700 -0.036 0.000 1.013 507 E HN 0.404 nan 8.360 nan 0.000 0.654 508 A N 1.185 124.000 122.820 -0.008 0.000 2.341 508 A HA 0.274 4.596 4.320 0.002 0.000 0.326 508 A C -0.003 177.582 177.584 0.001 0.000 1.402 508 A CA -0.204 51.834 52.037 0.002 0.000 0.957 508 A CB 0.391 19.394 19.000 0.006 0.000 1.151 508 A HN 0.413 nan 8.150 nan 0.000 0.533 509 Q N 0.536 120.339 119.800 0.005 0.000 2.699 509 Q HA 0.832 5.174 4.340 0.002 0.000 0.240 509 Q C -0.607 175.400 176.000 0.012 0.000 1.033 509 Q CA -0.734 55.072 55.803 0.006 0.000 0.938 509 Q CB 2.208 30.949 28.738 0.004 0.000 1.312 509 Q HN 0.893 nan 8.270 nan 0.000 0.507 510 A N -0.143 122.684 122.820 0.012 0.000 2.398 510 A HA 0.825 5.147 4.320 0.002 0.000 0.301 510 A C -0.656 176.938 177.584 0.017 0.000 1.041 510 A CA 0.137 52.184 52.037 0.017 0.000 0.711 510 A CB 1.350 20.359 19.000 0.015 0.000 1.240 510 A HN 0.837 nan 8.150 nan 0.000 0.420 511 G N 0.637 109.451 108.800 0.022 0.000 2.440 511 G HA2 0.285 4.246 3.960 0.002 0.000 0.684 511 G HA3 0.285 4.246 3.960 0.002 0.000 0.684 511 G C -0.394 174.519 174.900 0.021 0.000 1.309 511 G CA -0.271 44.842 45.100 0.022 0.000 0.931 511 G HN 1.346 nan 8.290 nan 0.000 0.612 512 E N -0.353 119.859 120.200 0.020 0.000 2.502 512 E HA 0.287 4.639 4.350 0.002 0.000 0.261 512 E C 0.437 177.026 176.600 -0.017 0.000 0.974 512 E CA 0.185 56.590 56.400 0.009 0.000 0.936 512 E CB 0.365 30.071 29.700 0.010 0.000 0.926 512 E HN 0.557 nan 8.360 nan 0.000 0.459 513 R N 4.200 124.669 120.500 -0.052 0.000 2.393 513 R HA 0.305 4.647 4.340 0.002 0.000 0.310 513 R C -0.593 175.653 176.300 -0.090 0.000 0.968 513 R CA -0.657 55.404 56.100 -0.064 0.000 0.867 513 R CB 1.009 31.269 30.300 -0.067 0.000 1.124 513 R HN 0.559 nan 8.270 nan 0.000 0.450 514 I N 8.112 128.646 120.570 -0.060 0.000 2.337 514 I HA 0.235 4.406 4.170 0.002 0.000 0.291 514 I C -1.492 174.586 176.117 -0.065 0.000 1.046 514 I CA -2.740 58.522 61.300 -0.063 0.000 1.324 514 I CB 1.484 39.458 38.000 -0.044 0.000 1.409 514 I HN 0.667 nan 8.210 nan 0.000 0.494 515 P HA -0.291 nan 4.420 nan 0.000 0.219 515 P C 1.089 178.330 177.300 -0.097 0.000 1.161 515 P CA 1.861 64.925 63.100 -0.060 0.000 0.909 515 P CB 0.138 31.816 31.700 -0.038 0.000 0.793 516 Q N -0.646 119.093 119.800 -0.102 0.000 2.248 516 Q HA -0.184 4.157 4.340 0.002 0.000 0.208 516 Q C 2.523 178.490 176.000 -0.056 0.000 0.984 516 Q CA 2.221 57.950 55.803 -0.124 0.000 0.875 516 Q CB -0.546 28.132 28.738 -0.100 0.000 0.910 516 Q HN 0.508 nan 8.270 nan 0.000 0.433 517 E N 0.111 120.300 120.200 -0.018 0.000 2.170 517 E HA -0.040 4.311 4.350 0.002 0.000 0.191 517 E C 1.967 178.588 176.600 0.034 0.000 0.981 517 E CA 0.929 57.363 56.400 0.056 0.000 0.830 517 E CB -0.595 29.126 29.700 0.035 0.000 0.775 517 E HN 0.172 nan 8.360 nan 0.000 0.470 518 V N 0.857 120.757 119.914 -0.024 0.000 2.216 518 V HA -0.260 3.861 4.120 0.002 0.000 0.243 518 V C 2.644 178.686 176.094 -0.086 0.000 1.044 518 V CA 1.869 64.150 62.300 -0.032 0.000 0.995 518 V CB -0.481 31.351 31.823 0.014 0.000 0.633 518 V HN 0.485 nan 8.190 nan 0.000 0.446 519 V N -0.370 119.410 119.914 -0.224 0.000 2.250 519 V HA -0.401 3.721 4.120 0.002 0.000 0.253 519 V C 2.095 178.112 176.094 -0.129 0.000 1.065 519 V CA 2.880 64.924 62.300 -0.426 0.000 1.039 519 V CB -0.899 30.392 31.823 -0.887 0.000 0.647 519 V HN 0.826 nan 8.190 nan 0.000 0.446 520 W N 0.905 122.054 121.300 -0.252 0.000 2.318 520 W HA -0.254 4.407 4.660 0.002 0.000 0.313 520 W C 2.321 178.789 176.519 -0.086 0.000 1.221 520 W CA 1.810 59.059 57.345 -0.160 0.000 1.266 520 W CB -0.186 29.195 29.460 -0.132 0.000 1.150 520 W HN 0.330 nan 8.180 nan 0.000 0.496 521 D N 0.796 121.030 120.400 -0.276 0.000 2.117 521 D HA -0.188 4.453 4.640 0.002 0.000 0.197 521 D C 2.310 178.423 176.300 -0.312 0.000 0.987 521 D CA 1.635 55.401 54.000 -0.391 0.000 0.829 521 D CB -0.721 39.968 40.800 -0.185 0.000 0.961 521 D HN 0.266 nan 8.370 nan 0.000 0.460 522 L N 0.131 121.243 121.223 -0.185 0.000 2.012 522 L HA -0.201 4.141 4.340 0.002 0.000 0.210 522 L C 2.466 179.219 176.870 -0.196 0.000 1.073 522 L CA 0.694 55.435 54.840 -0.164 0.000 0.748 522 L CB -0.416 41.597 42.059 -0.076 0.000 0.891 522 L HN 0.108 nan 8.230 nan 0.000 0.431 523 L N 0.314 121.463 121.223 -0.124 0.000 2.093 523 L HA -0.196 4.146 4.340 0.002 0.000 0.208 523 L C 2.462 179.106 176.870 -0.377 0.000 1.085 523 L CA 1.825 56.590 54.840 -0.124 0.000 0.755 523 L CB -0.584 41.529 42.059 0.089 0.000 0.904 523 L HN 0.245 nan 8.230 nan 0.000 0.435 524 E N -0.130 119.638 120.200 -0.720 0.000 2.097 524 E HA -0.304 4.047 4.350 0.002 0.000 0.196 524 E C 2.071 178.472 176.600 -0.332 0.000 1.000 524 E CA 1.795 57.701 56.400 -0.823 0.000 0.804 524 E CB -0.237 28.861 29.700 -1.004 0.000 0.740 524 E HN 0.541 nan 8.360 nan 0.000 0.454 525 E N -0.499 119.583 120.200 -0.197 0.000 2.046 525 E HA -0.114 4.237 4.350 0.002 0.000 0.190 525 E C 2.115 178.702 176.600 -0.023 0.000 0.982 525 E CA 2.096 58.487 56.400 -0.015 0.000 0.800 525 E CB -0.732 28.927 29.700 -0.068 0.000 0.756 525 E HN 0.520 nan 8.360 nan 0.000 0.449 526 T N -0.762 113.720 114.554 -0.119 0.000 2.737 526 T HA -0.192 4.159 4.350 0.002 0.000 0.269 526 T C 2.028 176.694 174.700 -0.057 0.000 1.040 526 T CA 1.563 63.606 62.100 -0.095 0.000 1.142 526 T CB -0.577 68.198 68.868 -0.155 0.000 0.861 526 T HN 0.154 nan 8.240 nan 0.000 0.456 527 L N -1.457 119.660 121.223 -0.177 0.000 2.083 527 L HA 0.039 4.380 4.340 0.002 0.000 0.209 527 L C 2.767 179.525 176.870 -0.188 0.000 1.083 527 L CA 1.474 56.169 54.840 -0.242 0.000 0.752 527 L CB -0.623 41.165 42.059 -0.451 0.000 0.899 527 L HN 0.335 nan 8.230 nan 0.000 0.433 528 W N -0.272 121.028 121.300 0.001 0.000 2.381 528 W HA -0.109 4.552 4.660 0.002 0.000 0.301 528 W C 2.749 179.285 176.519 0.029 0.000 1.205 528 W CA 0.641 57.992 57.345 0.010 0.000 1.285 528 W CB -0.314 29.126 29.460 -0.032 0.000 1.133 528 W HN 0.079 nan 8.180 nan 0.000 0.521 529 A N 0.395 123.353 122.820 0.230 0.000 1.859 529 A HA -0.307 4.014 4.320 0.002 0.000 0.217 529 A C 1.784 179.445 177.584 0.128 0.000 1.198 529 A CA 1.863 53.985 52.037 0.141 0.000 0.629 529 A CB -1.476 17.573 19.000 0.082 0.000 0.830 529 A HN 0.377 nan 8.150 nan 0.000 0.446 530 F N 0.369 120.317 119.950 -0.004 0.000 2.161 530 F HA -0.205 4.323 4.527 0.002 0.000 0.300 530 F C 2.442 178.249 175.800 0.012 0.000 1.089 530 F CA 2.067 60.058 58.000 -0.016 0.000 1.282 530 F CB -0.108 38.859 39.000 -0.054 0.000 1.010 530 F HN 0.149 nan 8.300 nan 0.000 0.485 531 R N 1.089 121.709 120.500 0.200 0.000 2.082 531 R HA -0.158 4.183 4.340 0.002 0.000 0.228 531 R C 2.390 178.738 176.300 0.080 0.000 1.140 531 R CA 2.142 58.339 56.100 0.163 0.000 0.920 531 R CB -0.771 29.692 30.300 0.273 0.000 0.828 531 R HN 0.260 nan 8.270 nan 0.000 0.430 532 R N 0.321 120.896 120.500 0.124 0.000 2.103 532 R HA -0.161 4.180 4.340 0.002 0.000 0.242 532 R C 2.451 178.748 176.300 -0.004 0.000 1.142 532 R CA 2.472 58.613 56.100 0.067 0.000 0.960 532 R CB -0.539 29.807 30.300 0.076 0.000 0.858 532 R HN 0.301 nan 8.270 nan 0.000 0.439 533 K N 0.411 120.782 120.400 -0.049 0.000 2.486 533 K HA 0.223 4.544 4.320 0.002 0.000 0.194 533 K C 1.430 177.916 176.600 -0.191 0.000 1.033 533 K CA 1.290 57.516 56.287 -0.101 0.000 1.004 533 K CB 0.182 32.624 32.500 -0.098 0.000 0.798 533 K HN 0.396 nan 8.250 nan 0.000 0.495 534 A N -2.688 119.976 122.820 -0.259 0.000 2.606 534 A HA 0.523 4.845 4.320 0.002 0.000 0.230 534 A C 1.836 179.332 177.584 -0.147 0.000 1.279 534 A CA 1.055 52.913 52.037 -0.298 0.000 1.010 534 A CB 0.275 18.859 19.000 -0.692 0.000 1.271 534 A HN 1.390 nan 8.150 nan 0.000 0.584 535 G N -1.875 106.880 108.800 -0.075 0.000 2.268 535 G HA2 0.251 4.212 3.960 0.002 0.000 0.240 535 G HA3 0.251 4.212 3.960 0.002 0.000 0.240 535 G C 0.528 175.453 174.900 0.043 0.000 1.010 535 G CA 1.064 46.163 45.100 -0.002 0.000 0.618 535 G HN 1.810 nan 8.290 nan 0.000 0.516 536 R N -1.136 119.401 120.500 0.061 0.000 2.752 536 R HA 0.855 5.197 4.340 0.002 0.000 0.271 536 R C -0.717 175.719 176.300 0.227 0.000 1.026 536 R CA -0.165 56.007 56.100 0.120 0.000 0.901 536 R CB 0.318 30.680 30.300 0.103 0.000 1.243 536 R HN 0.818 nan 8.270 nan 0.000 0.463 537 L N 2.840 124.151 121.223 0.147 0.000 2.426 537 L HA 0.411 4.752 4.340 0.002 0.000 0.271 537 L C -1.544 175.381 176.870 0.093 0.000 1.169 537 L CA -1.343 53.555 54.840 0.097 0.000 0.836 537 L CB 0.751 42.792 42.059 -0.030 0.000 1.112 537 L HN 0.636 nan 8.230 nan 0.000 0.465 538 P HA 0.044 nan 4.420 nan 0.000 0.268 538 P C 0.279 177.509 177.300 -0.117 0.000 1.205 538 P CA -0.163 62.757 63.100 -0.300 0.000 0.771 538 P CB 0.818 31.988 31.700 -0.883 0.000 0.858 539 S N 3.012 118.686 115.700 -0.043 0.000 2.387 539 S HA -0.068 4.404 4.470 0.002 0.000 0.226 539 S C 0.920 175.507 174.600 -0.022 0.000 1.026 539 S CA 0.416 58.609 58.200 -0.013 0.000 0.972 539 S CB -0.068 63.140 63.200 0.014 0.000 0.814 539 S HN 0.587 nan 8.310 nan 0.000 0.477 540 R N -0.247 120.229 120.500 -0.041 0.000 2.651 540 R HA 0.668 5.009 4.340 0.002 0.000 0.278 540 R C -2.186 174.089 176.300 -0.043 0.000 1.010 540 R CA -0.554 55.535 56.100 -0.018 0.000 0.896 540 R CB 2.174 32.470 30.300 -0.006 0.000 1.211 540 R HN 0.152 nan 8.270 nan 0.000 0.456 541 V N 4.240 124.161 119.914 0.011 0.000 2.823 541 V HA 0.494 4.615 4.120 0.002 0.000 0.312 541 V C -1.128 175.010 176.094 0.073 0.000 1.072 541 V CA -0.959 61.341 62.300 -0.000 0.000 0.937 541 V CB 1.880 33.698 31.823 -0.008 0.000 1.013 541 V HN 0.625 nan 8.190 nan 0.000 0.430 542 L N 5.404 126.661 121.223 0.057 0.000 2.298 542 L HA 0.637 4.978 4.340 0.002 0.000 0.284 542 L C -0.934 176.015 176.870 0.131 0.000 1.013 542 L CA 0.067 54.961 54.840 0.090 0.000 0.824 542 L CB 1.039 43.132 42.059 0.058 0.000 1.221 542 L HN 0.553 nan 8.230 nan 0.000 0.418 543 L N 6.625 127.951 121.223 0.171 0.000 2.276 543 L HA 0.493 4.835 4.340 0.002 0.000 0.286 543 L C -0.718 176.270 176.870 0.195 0.000 1.024 543 L CA -0.372 54.621 54.840 0.255 0.000 0.826 543 L CB 1.048 43.225 42.059 0.196 0.000 1.211 543 L HN 0.478 nan 8.230 nan 0.000 0.422 544 L N 5.092 126.476 121.223 0.269 0.000 2.296 544 L HA 0.644 4.985 4.340 0.002 0.000 0.286 544 L C 0.055 177.096 176.870 0.284 0.000 1.023 544 L CA -0.560 54.397 54.840 0.195 0.000 0.812 544 L CB 1.383 43.539 42.059 0.161 0.000 1.223 544 L HN 0.714 nan 8.230 nan 0.000 0.421 545 R N 0.338 120.918 120.500 0.132 0.000 2.854 545 R HA 0.528 4.869 4.340 0.002 0.000 0.271 545 R C -1.180 175.207 176.300 0.146 0.000 0.994 545 R CA -0.946 55.270 56.100 0.193 0.000 0.945 545 R CB 1.927 32.169 30.300 -0.096 0.000 1.194 545 R HN 0.421 nan 8.270 nan 0.000 0.476 546 D N 0.739 121.278 120.400 0.231 0.000 2.351 546 D HA 0.173 4.814 4.640 0.002 0.000 0.251 546 D C 1.189 177.541 176.300 0.087 0.000 1.137 546 D CA 0.307 54.391 54.000 0.141 0.000 0.879 546 D CB 1.534 42.422 40.800 0.147 0.000 1.181 546 D HN 0.645 nan 8.370 nan 0.000 0.448 547 G N 3.158 111.975 108.800 0.029 0.000 2.442 547 G HA2 -0.346 3.615 3.960 0.002 0.000 0.219 547 G HA3 -0.346 3.615 3.960 0.002 0.000 0.219 547 G C 1.722 176.628 174.900 0.010 0.000 1.141 547 G CA 1.294 46.393 45.100 -0.002 0.000 0.763 547 G HN 0.669 nan 8.290 nan 0.000 0.554 548 R N -0.096 120.412 120.500 0.014 0.000 2.153 548 R HA 0.062 4.404 4.340 0.002 0.000 0.252 548 R C 1.570 177.889 176.300 0.032 0.000 1.158 548 R CA 1.572 57.677 56.100 0.009 0.000 0.975 548 R CB -1.367 28.930 30.300 -0.005 0.000 0.871 548 R HN 0.305 nan 8.270 nan 0.000 0.450 549 V N 2.130 122.090 119.914 0.075 0.000 2.881 549 V HA 0.286 4.408 4.120 0.002 0.000 0.303 549 V C -2.039 174.121 176.094 0.111 0.000 1.070 549 V CA -1.541 60.835 62.300 0.127 0.000 1.074 549 V CB 1.700 33.689 31.823 0.277 0.000 1.012 549 V HN 0.476 nan 8.190 nan 0.000 0.482 550 P HA 0.183 nan 4.420 nan 0.000 0.293 550 P C 0.065 177.431 177.300 0.110 0.000 1.300 550 P CA -0.507 62.639 63.100 0.076 0.000 0.792 550 P CB 0.958 32.692 31.700 0.057 0.000 0.925 551 Q N 1.908 121.729 119.800 0.036 0.000 2.522 551 Q HA -0.216 4.125 4.340 0.002 0.000 0.216 551 Q C 0.088 176.149 176.000 0.101 0.000 0.986 551 Q CA 1.704 57.507 55.803 0.000 0.000 0.901 551 Q CB -0.647 28.023 28.738 -0.112 0.000 0.954 551 Q HN 0.313 nan 8.270 nan 0.000 0.502 552 D N 1.735 122.187 120.400 0.085 0.000 2.182 552 D HA -0.171 4.470 4.640 0.002 0.000 0.201 552 D C 2.066 178.413 176.300 0.079 0.000 0.986 552 D CA 1.881 55.916 54.000 0.058 0.000 0.847 552 D CB -0.299 40.516 40.800 0.024 0.000 0.942 552 D HN 0.696 nan 8.370 nan 0.000 0.467 553 E N 0.041 120.323 120.200 0.137 0.000 2.401 553 E HA -0.120 4.231 4.350 0.002 0.000 0.199 553 E C 1.260 177.775 176.600 -0.141 0.000 1.023 553 E CA 0.658 57.066 56.400 0.014 0.000 0.859 553 E CB -1.083 28.619 29.700 0.003 0.000 0.780 553 E HN 0.372 nan 8.360 nan 0.000 0.523 554 F N -0.764 119.077 119.950 -0.182 0.000 2.695 554 F HA 0.532 5.060 4.527 0.002 0.000 0.303 554 F C 2.555 178.222 175.800 -0.221 0.000 1.091 554 F CA -0.365 57.485 58.000 -0.250 0.000 1.300 554 F CB -0.001 38.819 39.000 -0.299 0.000 1.071 554 F HN 0.266 nan 8.300 nan 0.000 0.578 555 A N 1.114 123.929 122.820 -0.009 0.000 1.873 555 A HA -0.182 4.139 4.320 0.002 0.000 0.218 555 A C 2.611 180.102 177.584 -0.154 0.000 1.193 555 A CA 2.856 54.849 52.037 -0.073 0.000 0.629 555 A CB -1.298 17.669 19.000 -0.056 0.000 0.826 555 A HN 0.311 nan 8.150 nan 0.000 0.447 556 L N -1.119 119.998 121.223 -0.176 0.000 2.012 556 L HA 0.134 4.475 4.340 0.002 0.000 0.210 556 L C 3.031 179.659 176.870 -0.403 0.000 1.073 556 L CA 2.953 57.633 54.840 -0.268 0.000 0.748 556 L CB -2.228 39.695 42.059 -0.227 0.000 0.891 556 L HN 0.773 nan 8.230 nan 0.000 0.431 557 A N -0.632 122.013 122.820 -0.293 0.000 1.892 557 A HA -0.156 4.165 4.320 0.002 0.000 0.218 557 A C 2.419 179.784 177.584 -0.366 0.000 1.188 557 A CA 1.873 53.764 52.037 -0.243 0.000 0.631 557 A CB -0.644 18.308 19.000 -0.081 0.000 0.822 557 A HN 0.663 nan 8.150 nan 0.000 0.447 558 L N -0.951 120.053 121.223 -0.365 0.000 2.046 558 L HA -0.199 4.142 4.340 0.002 0.000 0.208 558 L C 2.560 179.175 176.870 -0.426 0.000 1.077 558 L CA 1.757 56.257 54.840 -0.566 0.000 0.747 558 L CB -0.741 41.040 42.059 -0.463 0.000 0.896 558 L HN 0.510 nan 8.230 nan 0.000 0.432 559 E N 0.083 120.093 120.200 -0.317 0.000 2.204 559 E HA -0.170 4.181 4.350 0.002 0.000 0.194 559 E C 2.230 178.641 176.600 -0.315 0.000 0.989 559 E CA 0.965 57.216 56.400 -0.249 0.000 0.824 559 E CB -0.057 29.510 29.700 -0.221 0.000 0.756 559 E HN 0.487 nan 8.360 nan 0.000 0.477 560 A N 1.052 123.559 122.820 -0.522 0.000 1.897 560 A HA -0.102 4.220 4.320 0.002 0.000 0.215 560 A C 2.148 179.530 177.584 -0.337 0.000 1.181 560 A CA 0.764 52.414 52.037 -0.644 0.000 0.620 560 A CB -0.489 17.550 19.000 -1.601 0.000 0.821 560 A HN 0.120 nan 8.150 nan 0.000 0.443 561 L N -0.627 120.431 121.223 -0.276 0.000 2.083 561 L HA -0.210 4.131 4.340 0.002 0.000 0.209 561 L C 3.099 179.962 176.870 -0.012 0.000 1.083 561 L CA 1.035 55.821 54.840 -0.090 0.000 0.752 561 L CB -0.569 41.416 42.059 -0.124 0.000 0.899 561 L HN 0.452 nan 8.230 nan 0.000 0.433 562 A N 0.296 123.105 122.820 -0.017 0.000 1.877 562 A HA -0.218 4.103 4.320 0.002 0.000 0.216 562 A C 2.381 179.963 177.584 -0.003 0.000 1.186 562 A CA 1.585 53.654 52.037 0.053 0.000 0.620 562 A CB -0.482 18.549 19.000 0.052 0.000 0.822 562 A HN 0.323 nan 8.150 nan 0.000 0.443 563 R N -0.415 120.052 120.500 -0.055 0.000 2.083 563 R HA -0.113 4.229 4.340 0.002 0.000 0.237 563 R C 1.892 178.178 176.300 -0.022 0.000 1.137 563 R CA 1.377 57.447 56.100 -0.049 0.000 0.951 563 R CB -0.333 29.916 30.300 -0.086 0.000 0.851 563 R HN 0.475 nan 8.270 nan 0.000 0.434 564 E N -0.548 119.640 120.200 -0.020 0.000 2.268 564 E HA -0.067 4.284 4.350 0.002 0.000 0.195 564 E C 1.188 177.792 176.600 0.008 0.000 0.995 564 E CA 1.075 57.477 56.400 0.003 0.000 0.836 564 E CB 0.043 29.750 29.700 0.011 0.000 0.763 564 E HN 0.610 nan 8.360 nan 0.000 0.491 565 G N 1.229 110.038 108.800 0.014 0.000 2.130 565 G HA2 -0.254 3.707 3.960 0.002 0.000 0.216 565 G HA3 -0.254 3.707 3.960 0.002 0.000 0.216 565 G C 0.169 175.085 174.900 0.026 0.000 0.999 565 G CA 0.061 45.172 45.100 0.018 0.000 0.686 565 G HN 0.223 nan 8.290 nan 0.000 0.515 566 I N 1.513 122.110 120.570 0.044 0.000 2.312 566 I HA 0.581 4.752 4.170 0.002 0.000 0.290 566 I C 1.004 177.206 176.117 0.142 0.000 1.008 566 I CA -0.497 60.837 61.300 0.057 0.000 1.226 566 I CB 1.487 39.505 38.000 0.031 0.000 1.371 566 I HN 0.299 nan 8.210 nan 0.000 0.468 567 A N 6.965 129.836 122.820 0.084 0.000 2.346 567 A HA 0.584 4.905 4.320 0.002 0.000 0.252 567 A C -0.758 176.918 177.584 0.154 0.000 1.089 567 A CA 0.288 52.352 52.037 0.044 0.000 0.797 567 A CB 0.342 19.320 19.000 -0.036 0.000 1.047 567 A HN 0.746 nan 8.150 nan 0.000 0.494 568 Y N -2.270 118.030 120.300 -0.000 0.000 2.713 568 Y HA 0.714 5.266 4.550 0.002 0.000 0.335 568 Y C -1.522 174.405 175.900 0.046 0.000 1.222 568 Y CA -1.591 56.517 58.100 0.015 0.000 1.061 568 Y CB 1.124 39.592 38.460 0.014 0.000 1.314 568 Y HN 0.488 nan 8.280 nan 0.000 0.453 569 D N 1.842 122.389 120.400 0.245 0.000 2.890 569 D HA 0.303 4.944 4.640 0.002 0.000 0.233 569 D C -1.945 174.509 176.300 0.258 0.000 1.306 569 D CA -0.291 53.852 54.000 0.239 0.000 0.929 569 D CB 3.042 43.924 40.800 0.138 0.000 1.512 569 D HN 0.627 nan 8.370 nan 0.000 0.568 570 L N 3.049 124.429 121.223 0.261 0.000 2.280 570 L HA 0.479 4.820 4.340 0.002 0.000 0.287 570 L C -1.433 175.512 176.870 0.125 0.000 1.023 570 L CA -0.405 54.503 54.840 0.113 0.000 0.819 570 L CB 1.413 43.471 42.059 -0.002 0.000 1.212 570 L HN 0.111 nan 8.230 nan 0.000 0.420 571 V N 3.918 123.881 119.914 0.082 0.000 2.604 571 V HA 0.663 4.784 4.120 0.002 0.000 0.305 571 V C -0.150 175.944 176.094 0.000 0.000 1.043 571 V CA -0.423 61.931 62.300 0.089 0.000 0.888 571 V CB 2.153 34.044 31.823 0.112 0.000 0.995 571 V HN 0.899 nan 8.190 nan 0.000 0.429 572 S N 3.789 119.472 115.700 -0.027 0.000 2.509 572 S HA 0.836 5.307 4.470 0.002 0.000 0.297 572 S C -0.806 173.768 174.600 -0.042 0.000 1.118 572 S CA -0.675 57.493 58.200 -0.054 0.000 1.074 572 S CB 1.788 64.936 63.200 -0.085 0.000 1.038 572 S HN 0.422 nan 8.310 nan 0.000 0.498 573 V N 1.604 121.509 119.914 -0.015 0.000 2.628 573 V HA 0.970 5.091 4.120 0.002 0.000 0.306 573 V C 0.407 176.489 176.094 -0.020 0.000 1.045 573 V CA -0.692 61.593 62.300 -0.024 0.000 0.905 573 V CB 1.376 33.208 31.823 0.015 0.000 0.997 573 V HN 1.238 nan 8.190 nan 0.000 0.436 574 R N 1.836 122.309 120.500 -0.045 0.000 2.510 574 R HA 0.721 5.062 4.340 0.002 0.000 0.287 574 R C 0.067 176.343 176.300 -0.040 0.000 1.084 574 R CA -0.101 55.975 56.100 -0.039 0.000 0.934 574 R CB 0.849 31.114 30.300 -0.058 0.000 1.201 574 R HN 0.940 nan 8.270 nan 0.000 0.431 575 K N 0.269 120.657 120.400 -0.020 0.000 2.426 575 K HA 0.227 4.548 4.320 0.002 0.000 0.193 575 K C 1.081 177.672 176.600 -0.016 0.000 1.028 575 K CA 1.148 57.427 56.287 -0.014 0.000 1.047 575 K CB -0.039 32.463 32.500 0.002 0.000 0.821 575 K HN 1.196 nan 8.250 nan 0.000 0.513 576 S N -1.759 113.928 115.700 -0.022 0.000 2.713 576 S HA 0.528 4.999 4.470 0.002 0.000 0.283 576 S C 1.254 175.834 174.600 -0.033 0.000 1.161 576 S CA -0.021 58.167 58.200 -0.020 0.000 0.999 576 S CB 1.143 64.331 63.200 -0.021 0.000 1.039 576 S HN 1.331 nan 8.310 nan 0.000 0.548 577 G N -0.018 108.768 108.800 -0.023 0.000 2.441 577 G HA2 -0.127 3.834 3.960 0.002 0.000 0.298 577 G HA3 -0.127 3.834 3.960 0.002 0.000 0.298 577 G C 0.684 175.555 174.900 -0.048 0.000 0.949 577 G CA 0.244 45.324 45.100 -0.034 0.000 1.072 577 G HN 1.458 nan 8.290 nan 0.000 0.512 578 G N -0.975 107.812 108.800 -0.023 0.000 3.126 578 G HA2 0.578 4.539 3.960 0.002 0.000 0.224 578 G HA3 0.578 4.539 3.960 0.002 0.000 0.224 578 G C 1.297 176.205 174.900 0.013 0.000 1.142 578 G CA 1.284 46.367 45.100 -0.027 0.000 0.759 578 G HN 1.960 nan 8.290 nan 0.000 0.550 579 G N 0.181 109.008 108.800 0.046 0.000 2.645 579 G HA2 -0.197 3.764 3.960 0.002 0.000 0.239 579 G HA3 -0.197 3.764 3.960 0.002 0.000 0.239 579 G C -0.326 174.602 174.900 0.046 0.000 1.331 579 G CA -0.379 44.775 45.100 0.090 0.000 0.890 579 G HN 0.487 nan 8.290 nan 0.000 0.572 580 R N -1.559 118.970 120.500 0.048 0.000 2.939 580 R HA 0.828 5.169 4.340 0.002 0.000 0.254 580 R C -0.711 175.486 176.300 -0.171 0.000 1.123 580 R CA -0.609 55.436 56.100 -0.092 0.000 1.020 580 R CB 1.627 31.878 30.300 -0.081 0.000 1.206 580 R HN 0.932 nan 8.270 nan 0.000 0.491 581 V N 1.530 121.184 119.914 -0.434 0.000 2.711 581 V HA 0.433 4.554 4.120 0.002 0.000 0.304 581 V C -1.592 174.202 176.094 -0.499 0.000 1.097 581 V CA -0.838 61.284 62.300 -0.297 0.000 0.906 581 V CB 1.840 33.563 31.823 -0.166 0.000 1.015 581 V HN 0.608 nan 8.190 nan 0.000 0.427 582 Y N 3.945 124.320 120.300 0.125 0.000 2.570 582 Y HA 0.685 5.236 4.550 0.002 0.000 0.345 582 Y C -2.559 173.451 175.900 0.185 0.000 1.014 582 Y CA -2.860 55.354 58.100 0.191 0.000 1.063 582 Y CB 2.252 40.927 38.460 0.358 0.000 1.272 582 Y HN 0.404 nan 8.280 nan 0.000 0.477 583 P HA 0.134 nan 4.420 nan 0.000 0.277 583 P C 0.322 177.826 177.300 0.341 0.000 1.240 583 P CA -0.208 63.036 63.100 0.240 0.000 0.798 583 P CB 1.248 33.073 31.700 0.208 0.000 0.979 584 V N 0.599 120.646 119.914 0.221 0.000 2.649 584 V HA -0.038 4.083 4.120 0.002 0.000 0.248 584 V C 0.750 176.984 176.094 0.233 0.000 1.054 584 V CA 1.660 64.126 62.300 0.277 0.000 1.073 584 V CB -0.680 31.168 31.823 0.041 0.000 0.699 584 V HN 0.602 nan 8.190 nan 0.000 0.463 585 Q N -2.723 117.183 119.800 0.176 0.000 2.594 585 Q HA 0.501 4.842 4.340 0.002 0.000 0.278 585 Q C -0.120 175.965 176.000 0.142 0.000 0.961 585 Q CA 0.139 56.035 55.803 0.156 0.000 0.844 585 Q CB 2.392 31.192 28.738 0.104 0.000 1.475 585 Q HN 0.397 nan 8.270 nan 0.000 0.389 586 G N 1.288 110.181 108.800 0.155 0.000 2.642 586 G HA2 -0.251 3.710 3.960 0.002 0.000 0.231 586 G HA3 -0.251 3.710 3.960 0.002 0.000 0.231 586 G C -0.921 174.076 174.900 0.162 0.000 1.338 586 G CA -0.031 45.149 45.100 0.132 0.000 0.883 586 G HN 0.561 nan 8.290 nan 0.000 0.570 587 R N -1.546 119.006 120.500 0.087 0.000 2.893 587 R HA 0.789 5.130 4.340 0.002 0.000 0.245 587 R C -0.560 175.710 176.300 -0.049 0.000 1.192 587 R CA -0.930 55.176 56.100 0.011 0.000 1.077 587 R CB 1.230 31.525 30.300 -0.007 0.000 1.253 587 R HN 0.678 nan 8.270 nan 0.000 0.505 588 L N 1.389 122.529 121.223 -0.137 0.000 2.307 588 L HA 0.541 4.882 4.340 0.002 0.000 0.284 588 L C -0.113 176.695 176.870 -0.103 0.000 1.023 588 L CA -0.265 54.498 54.840 -0.130 0.000 0.810 588 L CB 1.582 43.520 42.059 -0.202 0.000 1.231 588 L HN 0.844 nan 8.230 nan 0.000 0.423 589 A N 3.286 126.061 122.820 -0.074 0.000 2.267 589 A HA 0.122 4.443 4.320 0.002 0.000 0.276 589 A C 0.414 177.963 177.584 -0.058 0.000 1.336 589 A CA 0.364 52.369 52.037 -0.053 0.000 0.815 589 A CB 0.116 19.092 19.000 -0.039 0.000 1.256 589 A HN 0.851 nan 8.150 nan 0.000 0.512 590 D N -1.080 119.301 120.400 -0.031 0.000 2.435 590 D HA 0.121 4.762 4.640 0.002 0.000 0.257 590 D C 1.288 177.570 176.300 -0.029 0.000 1.290 590 D CA 1.092 55.086 54.000 -0.010 0.000 0.994 590 D CB -0.770 40.058 40.800 0.046 0.000 1.014 590 D HN 0.569 nan 8.370 nan 0.000 0.378 591 G N 1.558 110.342 108.800 -0.026 0.000 2.852 591 G HA2 0.376 4.337 3.960 0.002 0.000 0.280 591 G HA3 0.376 4.337 3.960 0.002 0.000 0.280 591 G C 0.002 174.598 174.900 -0.507 0.000 0.731 591 G CA -0.143 44.726 45.100 -0.384 0.000 2.037 591 G HN 0.239 nan 8.290 nan 0.000 0.560 592 L N 1.353 122.411 121.223 -0.276 0.000 2.325 592 L HA 0.395 4.736 4.340 0.002 0.000 0.279 592 L C -0.516 176.318 176.870 -0.060 0.000 1.054 592 L CA -1.291 53.455 54.840 -0.156 0.000 0.804 592 L CB 1.762 43.764 42.059 -0.094 0.000 1.200 592 L HN 0.436 nan 8.230 nan 0.000 0.436 593 Y N 3.028 123.258 120.300 -0.115 0.000 2.356 593 Y HA 0.497 5.048 4.550 0.002 0.000 0.334 593 Y C -0.919 175.044 175.900 0.105 0.000 0.958 593 Y CA -0.933 57.160 58.100 -0.012 0.000 1.196 593 Y CB 1.339 39.741 38.460 -0.097 0.000 1.137 593 Y HN 0.182 nan 8.280 nan 0.000 0.485 594 V N 9.939 129.734 119.914 -0.198 0.000 2.284 594 V HA 0.367 4.488 4.120 0.002 0.000 0.274 594 V C -2.267 173.653 176.094 -0.289 0.000 1.023 594 V CA -1.804 60.351 62.300 -0.242 0.000 0.808 594 V CB 0.981 32.748 31.823 -0.093 0.000 1.035 594 V HN 0.673 nan 8.190 nan 0.000 0.445 595 P HA 0.291 nan 4.420 nan 0.000 0.279 595 P C -0.131 177.148 177.300 -0.034 0.000 1.239 595 P CA -0.206 62.766 63.100 -0.213 0.000 0.789 595 P CB 2.495 34.048 31.700 -0.246 0.000 0.933 596 L N 1.379 122.634 121.223 0.052 0.000 2.588 596 L HA 0.320 4.661 4.340 0.002 0.000 0.194 596 L C 1.285 178.205 176.870 0.082 0.000 1.070 596 L CA 1.542 56.421 54.840 0.066 0.000 0.852 596 L CB -0.464 41.647 42.059 0.088 0.000 1.199 596 L HN 0.402 nan 8.230 nan 0.000 0.486 597 E N -1.555 118.706 120.200 0.101 0.000 2.428 597 E HA 0.336 4.687 4.350 0.002 0.000 0.259 597 E C 0.326 176.985 176.600 0.099 0.000 0.930 597 E CA 0.324 56.780 56.400 0.094 0.000 0.823 597 E CB 0.504 30.264 29.700 0.101 0.000 1.403 597 E HN 0.036 nan 8.360 nan 0.000 0.415 598 D N 0.801 121.251 120.400 0.083 0.000 2.158 598 D HA -0.156 4.485 4.640 0.002 0.000 0.197 598 D C 1.128 177.499 176.300 0.119 0.000 0.995 598 D CA 1.467 55.516 54.000 0.082 0.000 0.846 598 D CB -0.201 40.633 40.800 0.056 0.000 0.941 598 D HN 0.030 nan 8.370 nan 0.000 0.456 599 K N -0.047 120.432 120.400 0.131 0.000 2.506 599 K HA 0.173 4.495 4.320 0.002 0.000 0.204 599 K C -0.036 176.707 176.600 0.238 0.000 1.045 599 K CA 0.359 56.758 56.287 0.187 0.000 1.074 599 K CB 0.976 33.542 32.500 0.111 0.000 0.842 599 K HN 0.610 nan 8.250 nan 0.000 0.514 600 T N -1.078 113.614 114.554 0.230 0.000 2.900 600 T HA 0.761 5.112 4.350 0.002 0.000 0.295 600 T C -0.410 174.478 174.700 0.312 0.000 1.044 600 T CA -0.852 61.369 62.100 0.202 0.000 0.995 600 T CB 1.405 70.315 68.868 0.070 0.000 1.072 600 T HN 0.076 nan 8.240 nan 0.000 0.473 601 F N -0.088 119.898 119.950 0.061 0.000 2.686 601 F HA 0.815 5.344 4.527 0.002 0.000 0.311 601 F C -2.156 173.666 175.800 0.037 0.000 1.128 601 F CA -1.810 56.211 58.000 0.035 0.000 0.946 601 F CB 0.935 40.010 39.000 0.125 0.000 1.336 601 F HN 0.616 nan 8.300 nan 0.000 0.457 602 L N 1.814 123.106 121.223 0.116 0.000 2.332 602 L HA 0.730 5.071 4.340 0.002 0.000 0.269 602 L C -1.362 175.607 176.870 0.166 0.000 1.016 602 L CA -1.297 53.555 54.840 0.020 0.000 0.809 602 L CB 1.839 43.899 42.059 0.001 0.000 1.280 602 L HN 0.623 nan 8.230 nan 0.000 0.447 603 L N 2.080 123.353 121.223 0.083 0.000 2.482 603 L HA 0.539 4.881 4.340 0.002 0.000 0.269 603 L C -0.981 175.911 176.870 0.038 0.000 0.967 603 L CA 0.051 54.964 54.840 0.123 0.000 0.851 603 L CB 1.785 43.957 42.059 0.188 0.000 1.242 603 L HN 0.341 nan 8.230 nan 0.000 0.404 604 L N 2.870 124.088 121.223 -0.008 0.000 2.330 604 L HA 0.884 5.225 4.340 0.002 0.000 0.271 604 L C -0.178 176.678 176.870 -0.022 0.000 1.013 604 L CA -0.265 54.552 54.840 -0.040 0.000 0.816 604 L CB 2.334 44.344 42.059 -0.080 0.000 1.287 604 L HN 0.692 nan 8.230 nan 0.000 0.435 605 T N -0.927 113.609 114.554 -0.030 0.000 3.422 605 T HA 0.587 4.939 4.350 0.002 0.000 0.327 605 T C -0.049 174.603 174.700 -0.079 0.000 0.840 605 T CA -0.260 61.845 62.100 0.007 0.000 1.126 605 T CB -0.153 68.777 68.868 0.103 0.000 1.008 605 T HN 0.479 nan 8.240 nan 0.000 0.485 606 V N 0.862 120.715 119.914 -0.102 0.000 4.769 606 V HA 0.783 4.904 4.120 0.002 0.000 0.212 606 V C 1.062 177.094 176.094 -0.103 0.000 1.136 606 V CA 0.792 62.996 62.300 -0.160 0.000 0.980 606 V CB -0.924 30.828 31.823 -0.119 0.000 1.137 606 V HN 2.400 nan 8.190 nan 0.000 0.341 607 H N -3.040 116.004 119.070 -0.043 0.000 6.331 607 H HA 0.668 5.225 4.556 0.002 0.000 0.894 607 H C 0.472 175.813 175.328 0.022 0.000 1.981 607 H CA 0.806 56.842 56.048 -0.021 0.000 1.393 607 H CB -1.408 nan 29.762 nan 0.000 4.723 607 H HN 3.233 nan 8.280 nan 0.000 0.695 608 R N 0.180 120.699 120.500 0.032 0.000 4.252 608 R HA 0.223 4.564 4.340 0.002 0.000 0.204 608 R C -0.872 175.479 176.300 0.085 0.000 0.241 608 R CA 0.642 56.773 56.100 0.053 0.000 0.769 608 R CB -1.417 28.936 30.300 0.089 0.000 1.178 608 R HN 1.603 nan 8.270 nan 0.000 0.465 609 D N -0.595 119.864 120.400 0.099 0.000 2.739 609 D HA 0.408 5.049 4.640 0.002 0.000 0.335 609 D C -0.619 175.770 176.300 0.148 0.000 1.216 609 D CA -0.245 53.823 54.000 0.114 0.000 0.808 609 D CB -0.214 40.627 40.800 0.070 0.000 1.121 609 D HN 0.529 nan 8.370 nan 0.000 0.499 610 F N 1.475 121.425 119.950 0.000 0.000 2.216 610 F HA -0.283 4.245 4.527 0.002 0.000 0.442 610 F C 1.744 177.567 175.800 0.037 0.000 0.870 610 F CA 1.097 59.103 58.000 0.011 0.000 1.084 610 F CB 0.618 39.612 39.000 -0.011 0.000 0.839 610 F HN 0.169 nan 8.300 nan 0.000 0.524 611 R N 2.939 123.312 120.500 -0.212 0.000 2.173 611 R HA 0.125 4.466 4.340 0.002 0.000 0.208 611 R C 1.441 177.745 176.300 0.007 0.000 1.035 611 R CA 0.475 56.543 56.100 -0.053 0.000 1.004 611 R CB -0.116 30.133 30.300 -0.085 0.000 0.917 611 R HN 0.748 nan 8.270 nan 0.000 0.462 612 G N -0.088 108.596 108.800 -0.195 0.000 2.509 612 G HA2 0.081 4.042 3.960 0.002 0.000 0.269 612 G HA3 0.081 4.042 3.960 0.002 0.000 0.269 612 G C -0.641 174.481 174.900 0.370 0.000 1.416 612 G CA -0.228 44.925 45.100 0.088 0.000 1.052 612 G HN 0.026 nan 8.290 nan 0.000 0.542 613 T N 0.618 115.394 114.554 0.370 0.000 2.823 613 T HA 0.623 4.974 4.350 0.002 0.000 0.279 613 T C -2.595 172.207 174.700 0.170 0.000 0.998 613 T CA -1.404 60.843 62.100 0.245 0.000 0.994 613 T CB 1.470 70.478 68.868 0.233 0.000 0.960 613 T HN 0.247 nan 8.240 nan 0.000 0.448 614 P HA 0.459 nan 4.420 nan 0.000 0.285 614 P C -0.953 176.290 177.300 -0.094 0.000 1.259 614 P CA -0.598 62.421 63.100 -0.135 0.000 0.794 614 P CB 0.492 32.060 31.700 -0.219 0.000 0.940 615 R N 3.679 124.137 120.500 -0.069 0.000 2.230 615 R HA 0.313 4.654 4.340 0.002 0.000 0.337 615 R C -1.744 174.524 176.300 -0.053 0.000 1.063 615 R CA -1.499 54.579 56.100 -0.037 0.000 0.935 615 R CB 0.263 30.563 30.300 -0.001 0.000 1.121 615 R HN 0.492 nan 8.270 nan 0.000 0.486 616 P HA 0.011 nan 4.420 nan 0.000 0.273 616 P C -0.660 176.616 177.300 -0.040 0.000 1.250 616 P CA -0.199 62.871 63.100 -0.050 0.000 0.793 616 P CB 0.947 32.614 31.700 -0.054 0.000 1.011 617 L N 0.643 121.844 121.223 -0.036 0.000 2.282 617 L HA 0.381 4.722 4.340 0.002 0.000 0.288 617 L C 0.930 177.732 176.870 -0.114 0.000 1.033 617 L CA -0.646 54.162 54.840 -0.054 0.000 0.807 617 L CB 0.896 42.939 42.059 -0.028 0.000 1.209 617 L HN 0.348 nan 8.230 nan 0.000 0.423 618 K N 3.637 123.961 120.400 -0.127 0.000 2.258 618 K HA 0.591 4.912 4.320 0.002 0.000 0.284 618 K C -1.311 175.135 176.600 -0.255 0.000 1.051 618 K CA -0.485 55.693 56.287 -0.182 0.000 0.923 618 K CB 0.733 33.152 32.500 -0.134 0.000 1.046 618 K HN 0.373 nan 8.250 nan 0.000 0.474 619 L N 4.101 125.052 121.223 -0.452 0.000 2.386 619 L HA 0.438 4.780 4.340 0.002 0.000 0.271 619 L C -1.162 175.502 176.870 -0.343 0.000 0.993 619 L CA -0.822 53.723 54.840 -0.492 0.000 0.819 619 L CB 2.182 43.701 42.059 -0.901 0.000 1.294 619 L HN 0.282 nan 8.230 nan 0.000 0.414 620 V N 1.539 121.380 119.914 -0.122 0.000 2.407 620 V HA 0.284 4.406 4.120 0.002 0.000 0.291 620 V C -0.625 175.545 176.094 0.126 0.000 1.018 620 V CA -0.752 61.554 62.300 0.009 0.000 0.842 620 V CB 1.322 33.131 31.823 -0.024 0.000 0.996 620 V HN 0.628 nan 8.190 nan 0.000 0.426 621 H N 3.648 122.771 119.070 0.089 0.000 3.015 621 H HA 0.241 4.799 4.556 0.002 0.000 0.268 621 H C 0.868 176.215 175.328 0.031 0.000 1.113 621 H CA 0.150 56.249 56.048 0.086 0.000 1.479 621 H CB 0.723 30.562 29.762 0.128 0.000 1.493 621 H HN 0.757 nan 8.280 nan 0.000 0.486 622 E N 3.119 123.334 120.200 0.026 0.000 2.201 622 E HA 0.296 4.647 4.350 0.002 0.000 0.193 622 E C 0.019 176.525 176.600 -0.157 0.000 0.957 622 E CA 0.467 56.816 56.400 -0.086 0.000 0.858 622 E CB 0.664 30.322 29.700 -0.071 0.000 0.816 622 E HN 0.553 nan 8.360 nan 0.000 0.475 623 A N 0.638 123.374 122.820 -0.140 0.000 2.539 623 A HA 0.761 5.082 4.320 0.002 0.000 0.296 623 A C -0.251 177.260 177.584 -0.121 0.000 1.073 623 A CA -0.136 51.839 52.037 -0.102 0.000 0.700 623 A CB 1.844 20.912 19.000 0.114 0.000 1.296 623 A HN 0.170 nan 8.150 nan 0.000 0.405 624 G N 0.003 108.698 108.800 -0.174 0.000 2.357 624 G HA2 0.331 4.292 3.960 0.002 0.000 0.643 624 G HA3 0.331 4.292 3.960 0.002 0.000 0.643 624 G C -0.546 174.334 174.900 -0.033 0.000 1.358 624 G CA 0.356 45.426 45.100 -0.050 0.000 0.986 624 G HN 0.855 nan 8.290 nan 0.000 0.620 625 D N -1.117 119.301 120.400 0.030 0.000 2.498 625 D HA 0.226 4.867 4.640 0.002 0.000 0.223 625 D C 1.343 177.681 176.300 0.063 0.000 1.125 625 D CA 0.977 54.986 54.000 0.016 0.000 0.835 625 D CB 0.568 41.334 40.800 -0.057 0.000 1.086 625 D HN 0.508 nan 8.370 nan 0.000 0.510 626 T N 2.539 117.142 114.554 0.082 0.000 2.916 626 T HA 0.223 4.574 4.350 0.002 0.000 0.303 626 T C -2.386 172.302 174.700 -0.020 0.000 1.025 626 T CA -0.730 61.367 62.100 -0.005 0.000 1.142 626 T CB 1.262 70.092 68.868 -0.064 0.000 0.947 626 T HN 0.016 nan 8.240 nan 0.000 0.544 627 P HA 0.119 nan 4.420 nan 0.000 0.267 627 P C 1.012 178.226 177.300 -0.143 0.000 1.200 627 P CA -0.191 62.864 63.100 -0.074 0.000 0.772 627 P CB 0.480 32.119 31.700 -0.102 0.000 0.855 628 L N 1.472 122.628 121.223 -0.113 0.000 2.012 628 L HA -0.221 4.120 4.340 0.002 0.000 0.210 628 L C 2.288 178.883 176.870 -0.458 0.000 1.073 628 L CA 1.767 56.475 54.840 -0.220 0.000 0.748 628 L CB -0.534 41.490 42.059 -0.058 0.000 0.891 628 L HN 0.568 nan 8.230 nan 0.000 0.431 629 E N -0.006 119.950 120.200 -0.406 0.000 2.065 629 E HA -0.307 4.044 4.350 0.002 0.000 0.201 629 E C 2.165 178.508 176.600 -0.430 0.000 1.016 629 E CA 1.546 57.575 56.400 -0.619 0.000 0.818 629 E CB -0.046 29.429 29.700 -0.376 0.000 0.749 629 E HN 0.499 nan 8.360 nan 0.000 0.453 630 A N 0.599 123.237 122.820 -0.303 0.000 1.908 630 A HA -0.200 4.121 4.320 0.002 0.000 0.218 630 A C 2.088 179.570 177.584 -0.171 0.000 1.181 630 A CA 1.234 53.130 52.037 -0.236 0.000 0.627 630 A CB -0.604 18.282 19.000 -0.190 0.000 0.818 630 A HN 0.270 nan 8.150 nan 0.000 0.445 631 L N -0.482 120.606 121.223 -0.225 0.000 2.046 631 L HA -0.098 4.243 4.340 0.002 0.000 0.208 631 L C 2.917 179.709 176.870 -0.130 0.000 1.077 631 L CA 1.887 56.628 54.840 -0.165 0.000 0.747 631 L CB -0.953 40.965 42.059 -0.234 0.000 0.896 631 L HN 0.403 nan 8.230 nan 0.000 0.432 632 A N -2.056 120.518 122.820 -0.409 0.000 1.972 632 A HA -0.220 4.101 4.320 0.002 0.000 0.219 632 A C 2.235 179.723 177.584 -0.161 0.000 1.169 632 A CA 1.352 53.153 52.037 -0.393 0.000 0.635 632 A CB -0.725 17.596 19.000 -1.132 0.000 0.810 632 A HN 0.536 nan 8.150 nan 0.000 0.446 633 H N -1.118 117.784 119.070 -0.280 0.000 2.326 633 H HA -0.101 4.456 4.556 0.002 0.000 0.301 633 H C 2.289 177.537 175.328 -0.133 0.000 1.081 633 H CA 1.913 57.811 56.048 -0.250 0.000 1.334 633 H CB -0.014 29.550 29.762 -0.329 0.000 1.385 633 H HN 0.675 nan 8.280 nan 0.000 0.504 634 Q N 0.487 120.381 119.800 0.158 0.000 2.050 634 Q HA -0.110 4.231 4.340 0.002 0.000 0.202 634 Q C 2.456 178.538 176.000 0.137 0.000 0.980 634 Q CA 1.158 57.082 55.803 0.202 0.000 0.840 634 Q CB 0.105 28.948 28.738 0.176 0.000 0.898 634 Q HN 0.399 nan 8.270 nan 0.000 0.424 635 I N -0.006 120.652 120.570 0.147 0.000 2.179 635 I HA -0.268 3.903 4.170 0.002 0.000 0.242 635 I C 2.147 178.388 176.117 0.207 0.000 1.088 635 I CA 1.006 62.410 61.300 0.173 0.000 1.357 635 I CB -0.355 37.777 38.000 0.220 0.000 1.051 635 I HN 0.262 nan 8.210 nan 0.000 0.409 636 F N 1.494 121.496 119.950 0.086 0.000 2.126 636 F HA -0.285 4.243 4.527 0.002 0.000 0.299 636 F C 2.532 178.447 175.800 0.192 0.000 1.096 636 F CA 1.912 59.971 58.000 0.098 0.000 1.255 636 F CB -0.749 38.258 39.000 0.013 0.000 0.997 636 F HN 0.137 nan 8.300 nan 0.000 0.479 637 H N -0.557 118.453 119.070 -0.099 0.000 2.423 637 H HA -0.078 4.480 4.556 0.002 0.000 0.297 637 H C 2.339 177.576 175.328 -0.152 0.000 1.075 637 H CA 1.099 57.034 56.048 -0.187 0.000 1.342 637 H CB -0.044 29.775 29.762 0.094 0.000 1.395 637 H HN 0.303 nan 8.280 nan 0.000 0.530 638 L N -0.158 121.111 121.223 0.077 0.000 2.056 638 L HA -0.155 4.186 4.340 0.002 0.000 0.207 638 L C 2.564 179.503 176.870 0.116 0.000 1.078 638 L CA 1.007 55.911 54.840 0.107 0.000 0.749 638 L CB -0.470 41.660 42.059 0.118 0.000 0.901 638 L HN 0.252 nan 8.230 nan 0.000 0.433 639 T N -0.524 114.062 114.554 0.053 0.000 2.607 639 T HA -0.254 4.097 4.350 0.002 0.000 0.267 639 T C 2.060 176.750 174.700 -0.016 0.000 1.049 639 T CA 1.643 63.770 62.100 0.045 0.000 1.162 639 T CB -0.120 68.777 68.868 0.048 0.000 0.863 639 T HN 0.150 nan 8.240 nan 0.000 0.424 640 R N 0.650 121.048 120.500 -0.170 0.000 2.070 640 R HA 0.019 4.361 4.340 0.002 0.000 0.233 640 R C 2.255 178.461 176.300 -0.156 0.000 1.137 640 R CA 0.845 56.834 56.100 -0.184 0.000 0.945 640 R CB -1.241 28.863 30.300 -0.326 0.000 0.845 640 R HN 0.237 nan 8.270 nan 0.000 0.430 641 L N -0.605 120.489 121.223 -0.216 0.000 2.085 641 L HA -0.208 4.133 4.340 0.002 0.000 0.218 641 L C 0.042 176.602 176.870 -0.518 0.000 1.080 641 L CA 1.826 56.432 54.840 -0.390 0.000 0.776 641 L CB -0.358 41.420 42.059 -0.468 0.000 0.891 641 L HN 0.128 nan 8.230 nan 0.000 0.437 642 Y N 0.000 120.273 120.300 -0.044 0.000 2.660 642 Y HA 0.000 4.551 4.550 0.002 0.000 0.201 642 Y CA 0.000 58.083 58.100 -0.029 0.000 1.940 642 Y CB 0.000 38.461 38.460 0.002 0.000 1.050 642 Y HN 0.000 nan 8.280 nan 0.000 0.758