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 2o0t_1_D DATA FIRST_RESID 2 DATA SEQUENCE NELLHLAPNV WPRNTTRDEV GVVCIAGIPL TQLAQEYGTP LFVIDEDDFR DATA SEQUENCE SRCRETAAAF GSGANVHYAA XAFLCSEVAR WISEEGLCLD VCTGGELAVA DATA SEQUENCE LHASFPPERI TLHGNNKSVS ELTAAVKAGV GHIVVDSMTE IERLDAIAGE DATA SEQUENCE AGIVQDVLVR LTVGVEAHTH EFISTAHEDQ KFGLSVASGA AMAAVRRVFA DATA SEQUENCE TDHLRLVGLH SHIGSQIFDV DGFELAAHRV IGLLRDVVGE FGPEKTAQIA DATA SEQUENCE TVDLGGGLGI SYLPSDDPPP IAELAAKLGT IVSDESTAVG LPTPKLVVEP DATA SEQUENCE GRAIAGPGTI TLYEVGTVKD VDVSATAHRR YVSVDGGMSD NIRTALYGAQ DATA SEQUENCE YDVRLVSRVS DAPPVPARLV GKHCESGDII VRDTWVPDDI RPGDLVAVAA DATA SEQUENCE TGAYCYSLSS RYNMVGRPAV VAVHAGNARL VLRRETVDDL LSLEVR 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.499 175.510 -0.018 0.000 1.280 2 N CA 0.000 53.041 53.050 -0.015 0.000 0.885 2 N CB 0.000 38.472 38.487 -0.025 0.000 1.341 3 E N 0.356 120.538 120.200 -0.030 0.000 2.452 3 E HA 0.259 4.590 4.350 -0.032 0.000 0.197 3 E C 1.145 177.754 176.600 0.016 0.000 1.022 3 E CA -0.001 56.380 56.400 -0.032 0.000 0.890 3 E CB 0.609 30.260 29.700 -0.081 0.000 0.918 3 E HN 0.112 nan 8.360 nan 0.000 0.496 4 L N 0.894 122.126 121.223 0.014 0.000 2.492 4 L HA 0.039 4.360 4.340 -0.032 0.000 0.223 4 L C 1.736 178.627 176.870 0.035 0.000 1.132 4 L CA 0.910 55.776 54.840 0.043 0.000 0.850 4 L CB -0.024 42.067 42.059 0.054 0.000 0.966 4 L HN 0.204 nan 8.230 nan 0.000 0.454 5 L N -3.009 118.227 121.223 0.021 0.000 2.341 5 L HA 0.087 4.408 4.340 -0.032 0.000 0.214 5 L C 1.428 178.279 176.870 -0.032 0.000 1.115 5 L CA 0.593 55.424 54.840 -0.015 0.000 0.820 5 L CB -0.944 41.105 42.059 -0.016 0.000 0.944 5 L HN 0.091 nan 8.230 nan 0.000 0.452 6 H N 1.911 120.931 119.070 -0.084 0.000 2.928 6 H HA 0.226 4.762 4.556 -0.034 0.000 0.338 6 H C -0.957 174.283 175.328 -0.147 0.000 1.047 6 H CA 0.126 56.121 56.048 -0.088 0.000 1.435 6 H CB 0.641 30.381 29.762 -0.037 0.000 1.428 6 H HN 0.280 nan 8.280 nan 0.000 0.590 7 L N 5.448 126.286 121.223 -0.641 0.000 2.356 7 L HA 0.296 4.617 4.340 -0.032 0.000 0.264 7 L C 0.386 176.938 176.870 -0.529 0.000 1.029 7 L CA -0.737 53.657 54.840 -0.744 0.000 0.897 7 L CB 1.166 42.709 42.059 -0.859 0.000 1.256 7 L HN 0.628 nan 8.230 nan 0.000 0.444 8 A N 4.811 127.481 122.820 -0.250 0.000 2.553 8 A HA 0.171 4.472 4.320 -0.032 0.000 0.258 8 A C -1.177 176.487 177.584 0.133 0.000 1.069 8 A CA -0.705 51.305 52.037 -0.045 0.000 0.767 8 A CB -0.192 18.919 19.000 0.185 0.000 0.997 8 A HN 0.528 nan 8.150 nan 0.000 0.512 9 P HA -0.216 nan 4.420 nan 0.000 0.217 9 P C 1.065 178.415 177.300 0.083 0.000 1.148 9 P CA 1.641 64.786 63.100 0.075 0.000 0.828 9 P CB -0.098 31.629 31.700 0.046 0.000 0.783 10 N N -0.008 118.733 118.700 0.069 0.000 2.331 10 N HA -0.069 4.652 4.740 -0.032 0.000 0.180 10 N C 1.461 176.977 175.510 0.011 0.000 1.019 10 N CA 1.091 54.160 53.050 0.031 0.000 0.881 10 N CB -1.276 37.218 38.487 0.012 0.000 0.972 10 N HN 0.090 nan 8.380 nan 0.000 0.435 11 V N -0.827 119.115 119.914 0.046 0.000 2.426 11 V HA 0.065 4.166 4.120 -0.032 0.000 0.242 11 V C 0.752 176.715 176.094 -0.218 0.000 1.036 11 V CA 0.443 62.692 62.300 -0.085 0.000 1.044 11 V CB -0.557 31.223 31.823 -0.072 0.000 0.688 11 V HN 0.142 nan 8.190 nan 0.000 0.462 12 W N -0.096 121.202 121.300 -0.003 0.000 2.283 12 W HA 0.429 5.069 4.660 -0.034 0.000 0.341 12 W C -2.165 174.358 176.519 0.005 0.000 1.206 12 W CA -2.359 54.989 57.345 0.005 0.000 1.294 12 W CB -0.700 28.750 29.460 -0.016 0.000 1.154 12 W HN -0.052 nan 8.180 nan 0.000 0.613 13 P HA -0.035 nan 4.420 nan 0.000 0.266 13 P C 0.731 178.098 177.300 0.113 0.000 1.193 13 P CA 0.383 63.555 63.100 0.120 0.000 0.770 13 P CB 0.558 32.337 31.700 0.131 0.000 0.836 14 R N 1.844 122.386 120.500 0.070 0.000 2.139 14 R HA -0.126 4.195 4.340 -0.032 0.000 0.243 14 R C 0.551 176.874 176.300 0.039 0.000 1.145 14 R CA 1.231 57.360 56.100 0.048 0.000 0.976 14 R CB -0.308 30.009 30.300 0.029 0.000 0.866 14 R HN 0.527 nan 8.270 nan 0.000 0.449 15 N N 0.525 119.248 118.700 0.039 0.000 2.453 15 N HA 0.050 4.771 4.740 -0.032 0.000 0.270 15 N C -0.803 174.726 175.510 0.032 0.000 1.195 15 N CA 0.170 53.231 53.050 0.018 0.000 0.902 15 N CB 1.286 39.766 38.487 -0.011 0.000 1.186 15 N HN -0.008 nan 8.380 nan 0.000 0.510 16 T N 1.279 115.866 114.554 0.056 0.000 2.832 16 T HA 0.339 4.670 4.350 -0.032 0.000 0.296 16 T C 0.734 175.437 174.700 0.006 0.000 0.968 16 T CA 0.066 62.198 62.100 0.055 0.000 1.107 16 T CB 1.044 69.979 68.868 0.112 0.000 0.916 16 T HN 0.262 nan 8.240 nan 0.000 0.517 17 T N 1.503 116.049 114.554 -0.013 0.000 2.838 17 T HA 0.670 5.001 4.350 -0.032 0.000 0.292 17 T C -0.699 173.972 174.700 -0.049 0.000 1.113 17 T CA -1.170 60.912 62.100 -0.030 0.000 1.008 17 T CB 1.830 70.687 68.868 -0.018 0.000 1.259 17 T HN 0.388 nan 8.240 nan 0.000 0.520 18 R N 0.516 120.987 120.500 -0.049 0.000 2.494 18 R HA 0.385 4.706 4.340 -0.032 0.000 0.305 18 R C -0.749 175.533 176.300 -0.029 0.000 0.959 18 R CA -0.634 55.437 56.100 -0.048 0.000 0.864 18 R CB 1.253 31.516 30.300 -0.061 0.000 1.159 18 R HN 0.723 nan 8.270 nan 0.000 0.446 19 D N 1.808 122.194 120.400 -0.023 0.000 2.307 19 D HA -0.133 4.488 4.640 -0.032 0.000 0.234 19 D C 1.261 177.553 176.300 -0.014 0.000 1.308 19 D CA 0.547 54.538 54.000 -0.015 0.000 0.886 19 D CB 0.780 41.574 40.800 -0.011 0.000 1.202 19 D HN 0.539 nan 8.370 nan 0.000 0.479 20 E N -0.049 120.145 120.200 -0.010 0.000 2.371 20 E HA -0.094 4.236 4.350 -0.032 0.000 0.194 20 E C 1.548 178.143 176.600 -0.007 0.000 1.012 20 E CA 0.541 56.937 56.400 -0.008 0.000 0.860 20 E CB -0.583 29.113 29.700 -0.006 0.000 0.811 20 E HN 0.272 nan 8.360 nan 0.000 0.502 21 V N -2.467 117.443 119.914 -0.007 0.000 3.596 21 V HA 0.528 4.629 4.120 -0.032 0.000 0.289 21 V C 1.239 177.328 176.094 -0.008 0.000 1.336 21 V CA 0.311 62.608 62.300 -0.005 0.000 1.137 21 V CB -0.441 31.381 31.823 -0.002 0.000 0.966 21 V HN 0.281 nan 8.190 nan 0.000 0.428 22 G N 0.059 108.852 108.800 -0.013 0.000 2.132 22 G HA2 -0.180 3.760 3.960 -0.032 0.000 0.228 22 G HA3 -0.180 3.760 3.960 -0.032 0.000 0.228 22 G C -0.090 174.797 174.900 -0.022 0.000 1.000 22 G CA 0.015 45.104 45.100 -0.019 0.000 0.693 22 G HN 0.887 nan 8.290 nan 0.000 0.515 23 V N 0.780 120.683 119.914 -0.018 0.000 2.427 23 V HA 0.536 4.636 4.120 -0.032 0.000 0.286 23 V C 1.069 177.146 176.094 -0.027 0.000 1.034 23 V CA -0.899 61.391 62.300 -0.017 0.000 0.893 23 V CB 1.863 33.684 31.823 -0.003 0.000 0.982 23 V HN 0.248 nan 8.190 nan 0.000 0.452 24 V N 4.075 123.965 119.914 -0.040 0.000 2.521 24 V HA 0.112 4.213 4.120 -0.032 0.000 0.286 24 V C 0.281 176.367 176.094 -0.013 0.000 1.034 24 V CA 0.023 62.291 62.300 -0.054 0.000 1.045 24 V CB 0.639 32.401 31.823 -0.102 0.000 0.974 24 V HN 1.023 nan 8.190 nan 0.000 0.480 25 C N 6.335 125.631 119.300 -0.008 0.000 2.493 25 C HA 0.652 5.093 4.460 -0.032 0.000 0.326 25 C C -0.215 174.793 174.990 0.030 0.000 1.200 25 C CA -0.842 58.185 59.018 0.014 0.000 1.739 25 C CB 1.143 28.887 27.740 0.007 0.000 2.300 25 C HN 0.604 nan 8.230 nan 0.000 0.500 26 I N 2.531 123.128 120.570 0.044 0.000 2.406 26 I HA 0.376 4.527 4.170 -0.032 0.000 0.290 26 I C 0.894 177.031 176.117 0.033 0.000 0.999 26 I CA -0.139 61.193 61.300 0.054 0.000 1.124 26 I CB 0.682 38.728 38.000 0.077 0.000 1.289 26 I HN 0.988 nan 8.210 nan 0.000 0.441 27 A N 4.904 127.731 122.820 0.012 0.000 2.748 27 A HA -0.106 4.195 4.320 -0.032 0.000 0.297 27 A C 1.444 179.018 177.584 -0.016 0.000 1.508 27 A CA 1.418 53.441 52.037 -0.022 0.000 0.799 27 A CB -1.864 17.114 19.000 -0.036 0.000 1.011 27 A HN 2.087 nan 8.150 nan 0.000 0.500 28 G N -2.705 106.093 108.800 -0.004 0.000 2.176 28 G HA2 -0.220 3.720 3.960 -0.032 0.000 0.253 28 G HA3 -0.220 3.720 3.960 -0.032 0.000 0.253 28 G C 0.055 174.962 174.900 0.013 0.000 0.979 28 G CA 0.333 45.433 45.100 -0.001 0.000 0.641 28 G HN 1.493 nan 8.290 nan 0.000 0.530 29 I N 1.808 122.393 120.570 0.025 0.000 2.339 29 I HA 0.327 4.478 4.170 -0.032 0.000 0.290 29 I C -2.202 173.939 176.117 0.040 0.000 0.994 29 I CA -2.559 58.765 61.300 0.040 0.000 1.191 29 I CB 1.882 39.920 38.000 0.063 0.000 1.343 29 I HN -0.190 nan 8.210 nan 0.000 0.458 30 P HA -0.030 nan 4.420 nan 0.000 0.264 30 P C 0.531 177.858 177.300 0.044 0.000 1.193 30 P CA -0.221 62.897 63.100 0.030 0.000 0.763 30 P CB 0.618 32.332 31.700 0.022 0.000 0.810 31 L N 3.295 124.543 121.223 0.042 0.000 2.141 31 L HA -0.116 4.205 4.340 -0.032 0.000 0.209 31 L C 2.479 179.381 176.870 0.054 0.000 1.094 31 L CA 2.030 56.903 54.840 0.054 0.000 0.763 31 L CB -2.018 40.071 42.059 0.050 0.000 0.908 31 L HN 0.416 nan 8.230 nan 0.000 0.437 32 T N -1.378 113.200 114.554 0.040 0.000 2.699 32 T HA -0.333 3.998 4.350 -0.032 0.000 0.268 32 T C 1.892 176.613 174.700 0.036 0.000 1.036 32 T CA 2.211 64.332 62.100 0.035 0.000 1.147 32 T CB -0.026 68.856 68.868 0.024 0.000 0.862 32 T HN 0.509 nan 8.240 nan 0.000 0.446 33 Q N -0.411 119.411 119.800 0.037 0.000 2.079 33 Q HA -0.006 4.315 4.340 -0.032 0.000 0.200 33 Q C 2.491 178.522 176.000 0.051 0.000 0.974 33 Q CA 1.226 57.047 55.803 0.031 0.000 0.840 33 Q CB -0.249 28.508 28.738 0.030 0.000 0.898 33 Q HN 0.607 nan 8.270 nan 0.000 0.430 34 L N 0.356 121.644 121.223 0.109 0.000 2.046 34 L HA -0.156 4.164 4.340 -0.032 0.000 0.208 34 L C 2.622 179.608 176.870 0.192 0.000 1.077 34 L CA 1.030 56.005 54.840 0.224 0.000 0.747 34 L CB -0.630 41.555 42.059 0.210 0.000 0.896 34 L HN 0.320 nan 8.230 nan 0.000 0.432 35 A N -0.553 122.332 122.820 0.108 0.000 1.902 35 A HA -0.247 4.053 4.320 -0.032 0.000 0.217 35 A C 2.219 179.835 177.584 0.054 0.000 1.181 35 A CA 1.499 53.587 52.037 0.084 0.000 0.623 35 A CB -0.455 18.581 19.000 0.059 0.000 0.818 35 A HN 0.437 nan 8.150 nan 0.000 0.443 36 Q N -0.564 119.250 119.800 0.023 0.000 2.030 36 Q HA -0.215 4.105 4.340 -0.032 0.000 0.204 36 Q C 2.104 178.065 176.000 -0.065 0.000 0.986 36 Q CA 1.898 57.694 55.803 -0.013 0.000 0.843 36 Q CB -0.191 28.536 28.738 -0.020 0.000 0.904 36 Q HN 0.756 nan 8.270 nan 0.000 0.420 37 E N -0.848 119.266 120.200 -0.143 0.000 2.072 37 E HA -0.154 4.177 4.350 -0.032 0.000 0.191 37 E C 1.254 177.585 176.600 -0.448 0.000 0.985 37 E CA 1.044 57.208 56.400 -0.393 0.000 0.801 37 E CB 0.147 29.424 29.700 -0.705 0.000 0.750 37 E HN 0.462 nan 8.360 nan 0.000 0.452 38 Y N -0.680 119.637 120.300 0.029 0.000 2.430 38 Y HA 0.260 4.790 4.550 -0.033 0.000 0.248 38 Y C 1.010 176.931 175.900 0.035 0.000 1.108 38 Y CA 0.006 58.127 58.100 0.034 0.000 1.264 38 Y CB 1.462 39.946 38.460 0.038 0.000 1.172 38 Y HN 0.045 nan 8.280 nan 0.000 0.520 39 G N 1.102 109.986 108.800 0.140 0.000 2.829 39 G HA2 -0.096 3.845 3.960 -0.032 0.000 0.628 39 G HA3 -0.096 3.845 3.960 -0.032 0.000 0.628 39 G C -0.330 174.628 174.900 0.097 0.000 1.412 39 G CA -0.349 44.810 45.100 0.099 0.000 0.864 39 G HN 0.331 nan 8.290 nan 0.000 0.544 40 T N -1.035 113.562 114.554 0.073 0.000 2.916 40 T HA 0.806 5.137 4.350 -0.032 0.000 0.292 40 T C -2.809 171.933 174.700 0.070 0.000 1.055 40 T CA -1.366 60.765 62.100 0.053 0.000 1.009 40 T CB 2.413 71.318 68.868 0.062 0.000 1.118 40 T HN 0.605 nan 8.240 nan 0.000 0.497 41 P HA 0.497 nan 4.420 nan 0.000 0.270 41 P C -1.196 176.038 177.300 -0.110 0.000 1.223 41 P CA -0.618 62.438 63.100 -0.073 0.000 0.785 41 P CB 0.339 31.993 31.700 -0.077 0.000 0.923 42 L N 1.985 123.061 121.223 -0.245 0.000 2.470 42 L HA 0.509 4.830 4.340 -0.032 0.000 0.268 42 L C -1.538 175.180 176.870 -0.255 0.000 0.964 42 L CA -0.488 54.274 54.840 -0.130 0.000 0.839 42 L CB 1.056 43.098 42.059 -0.028 0.000 1.276 42 L HN 0.091 nan 8.230 nan 0.000 0.403 43 F N 4.667 124.558 119.950 -0.099 0.000 2.420 43 F HA 0.528 5.037 4.527 -0.030 0.000 0.352 43 F C 0.136 175.863 175.800 -0.121 0.000 1.108 43 F CA -0.195 57.728 58.000 -0.129 0.000 1.162 43 F CB 1.465 40.365 39.000 -0.166 0.000 1.118 43 F HN 0.137 nan 8.300 nan 0.000 0.510 44 V N 6.116 126.069 119.914 0.066 0.000 2.350 44 V HA 0.351 4.452 4.120 -0.032 0.000 0.285 44 V C 0.018 176.156 176.094 0.073 0.000 1.014 44 V CA -0.717 61.609 62.300 0.044 0.000 0.831 44 V CB 1.195 33.038 31.823 0.033 0.000 1.000 44 V HN 0.491 nan 8.190 nan 0.000 0.433 45 I N 3.636 124.253 120.570 0.079 0.000 2.312 45 I HA 0.310 4.461 4.170 -0.032 0.000 0.290 45 I C -0.028 176.173 176.117 0.141 0.000 1.008 45 I CA -0.367 61.011 61.300 0.130 0.000 1.226 45 I CB 1.388 39.492 38.000 0.172 0.000 1.371 45 I HN 0.504 nan 8.210 nan 0.000 0.468 46 D N 6.607 127.088 120.400 0.134 0.000 2.402 46 D HA -0.026 4.595 4.640 -0.032 0.000 0.235 46 D C 1.003 177.364 176.300 0.101 0.000 1.226 46 D CA 0.241 54.301 54.000 0.099 0.000 0.918 46 D CB 0.811 41.665 40.800 0.090 0.000 1.043 46 D HN 0.640 nan 8.370 nan 0.000 0.506 47 E N 2.890 123.107 120.200 0.030 0.000 2.072 47 E HA -0.236 4.095 4.350 -0.032 0.000 0.191 47 E C 0.999 177.522 176.600 -0.129 0.000 0.985 47 E CA 1.025 57.297 56.400 -0.212 0.000 0.801 47 E CB 0.151 29.571 29.700 -0.466 0.000 0.750 47 E HN 0.556 nan 8.360 nan 0.000 0.452 48 D N 0.614 121.013 120.400 -0.002 0.000 2.144 48 D HA -0.221 4.400 4.640 -0.032 0.000 0.199 48 D C 1.873 178.187 176.300 0.023 0.000 0.984 48 D CA 1.516 55.515 54.000 -0.001 0.000 0.834 48 D CB -0.245 40.507 40.800 -0.080 0.000 0.955 48 D HN 0.191 nan 8.370 nan 0.000 0.465 49 D N -0.594 119.836 120.400 0.049 0.000 2.104 49 D HA -0.237 4.383 4.640 -0.032 0.000 0.194 49 D C 1.982 178.349 176.300 0.113 0.000 0.994 49 D CA 0.832 54.875 54.000 0.072 0.000 0.830 49 D CB -0.579 40.269 40.800 0.080 0.000 0.959 49 D HN 0.383 nan 8.370 nan 0.000 0.452 50 F N 1.304 121.260 119.950 0.010 0.000 2.095 50 F HA -0.140 4.367 4.527 -0.033 0.000 0.298 50 F C 2.692 178.500 175.800 0.013 0.000 1.104 50 F CA 1.487 59.517 58.000 0.051 0.000 1.232 50 F CB -0.019 39.086 39.000 0.175 0.000 0.987 50 F HN -0.140 nan 8.300 nan 0.000 0.475 51 R N -0.524 120.135 120.500 0.265 0.000 2.092 51 R HA -0.128 4.193 4.340 -0.032 0.000 0.231 51 R C 2.478 178.813 176.300 0.058 0.000 1.119 51 R CA 1.375 57.558 56.100 0.138 0.000 0.970 51 R CB -0.728 29.576 30.300 0.007 0.000 0.864 51 R HN 0.217 nan 8.270 nan 0.000 0.440 52 S N 0.408 116.131 115.700 0.037 0.000 2.370 52 S HA -0.131 4.320 4.470 -0.032 0.000 0.226 52 S C 1.842 176.444 174.600 0.003 0.000 1.033 52 S CA 1.298 59.508 58.200 0.017 0.000 1.011 52 S CB -0.057 63.151 63.200 0.013 0.000 0.852 52 S HN 0.182 nan 8.310 nan 0.000 0.457 53 R N 0.342 120.829 120.500 -0.021 0.000 2.081 53 R HA -0.003 4.318 4.340 -0.032 0.000 0.235 53 R C 2.510 178.784 176.300 -0.043 0.000 1.131 53 R CA 1.451 57.521 56.100 -0.051 0.000 0.960 53 R CB -0.989 29.235 30.300 -0.128 0.000 0.856 53 R HN 0.415 nan 8.270 nan 0.000 0.436 54 C N -0.106 119.160 119.300 -0.056 0.000 2.413 54 C HA -0.108 4.333 4.460 -0.032 0.000 0.277 54 C C 2.466 177.480 174.990 0.040 0.000 1.228 54 C CA 0.925 59.940 59.018 -0.005 0.000 1.731 54 C CB -0.801 26.966 27.740 0.045 0.000 2.042 54 C HN 0.493 nan 8.230 nan 0.000 0.468 55 R N 1.079 121.601 120.500 0.037 0.000 2.081 55 R HA -0.140 4.181 4.340 -0.032 0.000 0.235 55 R C 2.233 178.556 176.300 0.038 0.000 1.131 55 R CA 1.724 57.847 56.100 0.040 0.000 0.960 55 R CB -0.511 29.806 30.300 0.029 0.000 0.856 55 R HN 0.778 nan 8.270 nan 0.000 0.436 56 E N 0.356 120.574 120.200 0.029 0.000 2.158 56 E HA -0.081 4.250 4.350 -0.032 0.000 0.191 56 E C 1.183 177.810 176.600 0.044 0.000 0.982 56 E CA 1.348 57.762 56.400 0.024 0.000 0.823 56 E CB -0.088 29.618 29.700 0.009 0.000 0.766 56 E HN 0.109 nan 8.360 nan 0.000 0.468 57 T N 1.222 115.825 114.554 0.081 0.000 2.857 57 T HA 0.012 4.343 4.350 -0.032 0.000 0.266 57 T C 2.065 176.906 174.700 0.234 0.000 1.048 57 T CA 1.237 63.444 62.100 0.177 0.000 1.139 57 T CB -0.211 68.757 68.868 0.167 0.000 0.874 57 T HN 0.382 nan 8.240 nan 0.000 0.455 58 A N 1.654 124.564 122.820 0.150 0.000 1.908 58 A HA 0.110 4.411 4.320 -0.032 0.000 0.218 58 A C 2.640 180.296 177.584 0.120 0.000 1.181 58 A CA 1.893 54.016 52.037 0.143 0.000 0.627 58 A CB -1.118 17.943 19.000 0.101 0.000 0.818 58 A HN 0.514 nan 8.150 nan 0.000 0.445 59 A N -0.318 122.545 122.820 0.071 0.000 1.898 59 A HA 0.237 4.538 4.320 -0.032 0.000 0.216 59 A C 2.511 180.090 177.584 -0.008 0.000 1.181 59 A CA 1.882 53.937 52.037 0.030 0.000 0.620 59 A CB -1.035 17.972 19.000 0.011 0.000 0.819 59 A HN 1.077 nan 8.150 nan 0.000 0.442 60 A N -1.098 121.698 122.820 -0.040 0.000 1.908 60 A HA -0.060 4.241 4.320 -0.032 0.000 0.218 60 A C 1.597 178.964 177.584 -0.362 0.000 1.181 60 A CA 1.522 53.424 52.037 -0.225 0.000 0.627 60 A CB -0.670 18.149 19.000 -0.303 0.000 0.818 60 A HN 0.508 nan 8.150 nan 0.000 0.445 61 F N -1.164 118.776 119.950 -0.018 0.000 2.639 61 F HA 0.402 4.909 4.527 -0.033 0.000 0.300 61 F C 1.781 177.576 175.800 -0.009 0.000 1.109 61 F CA 0.617 58.603 58.000 -0.023 0.000 1.335 61 F CB 0.451 39.433 39.000 -0.030 0.000 1.014 61 F HN 0.400 nan 8.300 nan 0.000 0.537 62 G N 0.058 108.919 108.800 0.101 0.000 2.299 62 G HA2 -0.230 3.711 3.960 -0.032 0.000 0.237 62 G HA3 -0.230 3.711 3.960 -0.032 0.000 0.237 62 G C 0.327 175.274 174.900 0.079 0.000 1.027 62 G CA 0.162 45.303 45.100 0.068 0.000 0.619 62 G HN 0.651 nan 8.290 nan 0.000 0.513 63 S N -1.788 113.980 115.700 0.113 0.000 2.586 63 S HA 0.561 5.012 4.470 -0.032 0.000 0.277 63 S C 1.089 175.762 174.600 0.121 0.000 1.131 63 S CA 0.719 58.978 58.200 0.099 0.000 0.848 63 S CB 0.742 63.993 63.200 0.084 0.000 1.091 63 S HN 1.637 nan 8.310 nan 0.000 0.453 64 G N 1.691 110.556 108.800 0.107 0.000 2.448 64 G HA2 0.089 4.030 3.960 -0.032 0.000 0.219 64 G HA3 0.089 4.030 3.960 -0.032 0.000 0.219 64 G C 1.530 176.514 174.900 0.140 0.000 1.127 64 G CA 1.031 46.203 45.100 0.121 0.000 0.766 64 G HN 1.302 nan 8.290 nan 0.000 0.552 65 A N 1.092 123.987 122.820 0.125 0.000 2.076 65 A HA -0.078 4.223 4.320 -0.032 0.000 0.220 65 A C 1.969 179.681 177.584 0.214 0.000 1.160 65 A CA 1.562 53.686 52.037 0.144 0.000 0.653 65 A CB -0.439 18.628 19.000 0.111 0.000 0.801 65 A HN 0.525 nan 8.150 nan 0.000 0.455 66 N N -1.156 117.638 118.700 0.156 0.000 2.398 66 N HA 0.203 4.924 4.740 -0.032 0.000 0.188 66 N C -0.881 174.609 175.510 -0.033 0.000 1.122 66 N CA -0.003 53.089 53.050 0.071 0.000 0.866 66 N CB 0.757 39.291 38.487 0.077 0.000 0.970 66 N HN 0.207 nan 8.380 nan 0.000 0.462 67 V N 1.231 121.228 119.914 0.139 0.000 2.409 67 V HA 0.202 4.303 4.120 -0.032 0.000 0.290 67 V C -0.838 175.440 176.094 0.307 0.000 1.017 67 V CA -0.765 61.577 62.300 0.069 0.000 0.841 67 V CB 1.150 33.015 31.823 0.070 0.000 1.003 67 V HN 0.238 nan 8.190 nan 0.000 0.426 68 H N 4.264 123.334 119.070 -0.001 0.000 2.595 68 H HA 0.319 4.856 4.556 -0.032 0.000 0.313 68 H C -1.069 174.301 175.328 0.070 0.000 1.023 68 H CA -0.677 55.401 56.048 0.050 0.000 1.218 68 H CB 1.652 31.430 29.762 0.027 0.000 1.403 68 H HN 0.694 nan 8.280 nan 0.000 0.477 69 Y N 2.798 123.149 120.300 0.086 0.000 2.442 69 Y HA 0.228 4.759 4.550 -0.033 0.000 0.330 69 Y C -0.267 175.633 175.900 -0.000 0.000 1.129 69 Y CA -1.067 57.051 58.100 0.031 0.000 1.365 69 Y CB 0.505 38.987 38.460 0.038 0.000 1.233 69 Y HN 0.667 nan 8.280 nan 0.000 0.529 70 A N 7.113 129.511 122.820 -0.703 0.000 2.539 70 A HA 0.620 4.921 4.320 -0.032 0.000 0.306 70 A C 0.470 177.471 177.584 -0.972 0.000 1.392 70 A CA -0.043 51.623 52.037 -0.617 0.000 1.060 70 A CB -1.208 17.590 19.000 -0.337 0.000 1.134 70 A HN 1.089 nan 8.150 nan 0.000 0.542 74 F N -0.297 119.581 119.950 -0.120 0.000 2.655 74 F HA 0.589 5.097 4.527 -0.031 0.000 0.324 74 F C -2.505 173.324 175.800 0.049 0.000 1.081 74 F CA -0.955 57.035 58.000 -0.017 0.000 1.088 74 F CB 1.152 40.148 39.000 -0.007 0.000 1.327 74 F HN 0.383 nan 8.300 nan 0.000 0.522 75 L N 7.427 128.283 121.223 -0.612 0.000 2.431 75 L HA 0.930 5.250 4.340 -0.032 0.000 0.266 75 L C -1.134 175.251 176.870 -0.809 0.000 0.978 75 L CA -0.377 54.104 54.840 -0.598 0.000 0.822 75 L CB 1.718 43.619 42.059 -0.264 0.000 1.310 75 L HN 0.983 nan 8.230 nan 0.000 0.409 76 C N 0.174 119.035 119.300 -0.732 0.000 3.314 76 C HA 0.564 5.004 4.460 -0.032 0.000 0.344 76 C C 1.494 176.267 174.990 -0.362 0.000 1.461 76 C CA -0.053 58.671 59.018 -0.490 0.000 1.249 76 C CB 1.052 28.468 27.740 -0.539 0.000 1.632 76 C HN 0.776 nan 8.230 nan 0.000 0.452 77 S N 0.213 115.780 115.700 -0.222 0.000 2.383 77 S HA -0.194 4.257 4.470 -0.032 0.000 0.229 77 S C 1.638 176.096 174.600 -0.237 0.000 1.030 77 S CA 2.326 60.443 58.200 -0.139 0.000 1.002 77 S CB -0.394 62.794 63.200 -0.019 0.000 0.829 77 S HN 0.922 nan 8.310 nan 0.000 0.467 78 E N 1.276 121.258 120.200 -0.363 0.000 2.047 78 E HA -0.066 4.265 4.350 -0.032 0.000 0.191 78 E C 1.913 177.945 176.600 -0.947 0.000 0.987 78 E CA 1.007 57.094 56.400 -0.521 0.000 0.799 78 E CB -0.450 28.951 29.700 -0.498 0.000 0.752 78 E HN 0.229 nan 8.360 nan 0.000 0.449 79 V N 0.929 120.256 119.914 -0.977 0.000 2.343 79 V HA -0.268 3.832 4.120 -0.032 0.000 0.247 79 V C 2.374 178.225 176.094 -0.404 0.000 1.051 79 V CA 1.757 63.479 62.300 -0.963 0.000 1.036 79 V CB -0.988 30.373 31.823 -0.770 0.000 0.654 79 V HN 0.470 nan 8.190 nan 0.000 0.451 80 A N -0.141 122.532 122.820 -0.245 0.000 1.903 80 A HA -0.351 3.950 4.320 -0.032 0.000 0.219 80 A C 2.338 180.036 177.584 0.190 0.000 1.191 80 A CA 2.560 54.602 52.037 0.007 0.000 0.638 80 A CB -0.630 18.382 19.000 0.021 0.000 0.823 80 A HN 0.498 nan 8.150 nan 0.000 0.451 81 R N -1.537 118.983 120.500 0.034 0.000 2.091 81 R HA -0.184 4.137 4.340 -0.032 0.000 0.238 81 R C 1.994 178.432 176.300 0.229 0.000 1.136 81 R CA 2.009 58.167 56.100 0.097 0.000 0.959 81 R CB -0.285 30.040 30.300 0.043 0.000 0.856 81 R HN 0.753 nan 8.270 nan 0.000 0.437 82 W N 0.401 121.685 121.300 -0.027 0.000 2.379 82 W HA -0.096 4.544 4.660 -0.033 0.000 0.307 82 W C 1.876 178.450 176.519 0.090 0.000 1.200 82 W CA 0.121 57.454 57.345 -0.020 0.000 1.297 82 W CB -0.868 28.501 29.460 -0.151 0.000 1.140 82 W HN 0.080 nan 8.180 nan 0.000 0.507 83 I N 0.151 120.944 120.570 0.372 0.000 2.163 83 I HA -0.305 3.846 4.170 -0.032 0.000 0.243 83 I C 2.571 178.910 176.117 0.370 0.000 1.085 83 I CA 1.891 63.404 61.300 0.354 0.000 1.347 83 I CB -1.836 36.348 38.000 0.306 0.000 1.044 83 I HN -0.011 nan 8.210 nan 0.000 0.408 84 S N 0.529 116.454 115.700 0.376 0.000 2.353 84 S HA -0.242 4.208 4.470 -0.032 0.000 0.222 84 S C 1.913 176.521 174.600 0.013 0.000 1.035 84 S CA 1.828 60.030 58.200 0.004 0.000 1.025 84 S CB -0.175 62.906 63.200 -0.199 0.000 0.902 84 S HN 0.472 nan 8.310 nan 0.000 0.440 85 E N 0.107 120.350 120.200 0.072 0.000 2.118 85 E HA -0.131 4.200 4.350 -0.032 0.000 0.195 85 E C 1.772 178.407 176.600 0.059 0.000 0.992 85 E CA 1.175 57.606 56.400 0.052 0.000 0.804 85 E CB -0.047 29.695 29.700 0.070 0.000 0.741 85 E HN 0.466 nan 8.360 nan 0.000 0.458 86 E N -0.749 119.514 120.200 0.106 0.000 2.489 86 E HA 0.032 4.363 4.350 -0.032 0.000 0.193 86 E C 1.086 177.741 176.600 0.093 0.000 1.057 86 E CA 0.589 57.049 56.400 0.100 0.000 0.866 86 E CB 0.777 30.560 29.700 0.138 0.000 0.916 86 E HN 0.378 nan 8.360 nan 0.000 0.500 87 G N 1.338 110.189 108.800 0.086 0.000 2.148 87 G HA2 -0.276 3.665 3.960 -0.032 0.000 0.254 87 G HA3 -0.276 3.665 3.960 -0.032 0.000 0.254 87 G C 0.335 175.302 174.900 0.111 0.000 0.981 87 G CA 0.271 45.414 45.100 0.071 0.000 0.670 87 G HN 0.210 nan 8.290 nan 0.000 0.528 88 L N -0.296 121.025 121.223 0.163 0.000 2.439 88 L HA 0.430 4.751 4.340 -0.032 0.000 0.261 88 L C 1.401 178.423 176.870 0.253 0.000 1.153 88 L CA -0.769 54.189 54.840 0.198 0.000 0.808 88 L CB 0.719 42.903 42.059 0.209 0.000 1.126 88 L HN 0.236 nan 8.230 nan 0.000 0.460 89 C N 1.667 121.068 119.300 0.167 0.000 2.403 89 C HA 0.532 4.972 4.460 -0.032 0.000 0.361 89 C C 0.223 175.253 174.990 0.066 0.000 1.274 89 C CA -0.464 58.591 59.018 0.061 0.000 2.433 89 C CB 1.124 28.586 27.740 -0.462 0.000 2.323 89 C HN 0.529 nan 8.230 nan 0.000 0.614 90 L N 1.852 123.025 121.223 -0.084 0.000 2.406 90 L HA 0.512 4.832 4.340 -0.032 0.000 0.272 90 L C -1.315 175.463 176.870 -0.153 0.000 0.980 90 L CA 0.155 54.870 54.840 -0.208 0.000 0.831 90 L CB 1.226 42.823 42.059 -0.771 0.000 1.253 90 L HN 0.555 nan 8.230 nan 0.000 0.406 91 D N 4.031 124.384 120.400 -0.078 0.000 2.274 91 D HA 0.526 5.146 4.640 -0.032 0.000 0.239 91 D C -0.364 175.898 176.300 -0.062 0.000 1.104 91 D CA 0.227 54.229 54.000 0.003 0.000 0.840 91 D CB 1.844 42.677 40.800 0.055 0.000 1.100 91 D HN 0.422 nan 8.370 nan 0.000 0.477 92 V N -0.225 119.675 119.914 -0.023 0.000 2.960 92 V HA 0.562 4.663 4.120 -0.032 0.000 0.315 92 V C 0.393 176.494 176.094 0.012 0.000 1.087 92 V CA -0.676 61.598 62.300 -0.044 0.000 0.982 92 V CB 1.657 33.439 31.823 -0.069 0.000 1.039 92 V HN 0.680 nan 8.190 nan 0.000 0.437 93 C N 1.922 121.224 119.300 0.003 0.000 2.683 93 C HA 0.522 4.963 4.460 -0.032 0.000 0.491 93 C C 1.147 176.158 174.990 0.035 0.000 1.342 93 C CA 1.253 60.294 59.018 0.038 0.000 2.476 93 C CB -0.129 27.627 27.740 0.026 0.000 3.150 93 C HN 1.274 nan 8.230 nan 0.000 0.551 94 T N -2.666 111.896 114.554 0.013 0.000 2.773 94 T HA 0.540 4.871 4.350 -0.032 0.000 0.278 94 T C 1.237 175.935 174.700 -0.002 0.000 1.011 94 T CA 0.470 62.577 62.100 0.010 0.000 1.014 94 T CB 0.721 69.596 68.868 0.012 0.000 1.293 94 T HN 0.303 nan 8.240 nan 0.000 0.554 95 G N -0.271 108.527 108.800 -0.003 0.000 2.450 95 G HA2 0.058 3.999 3.960 -0.032 0.000 0.220 95 G HA3 0.058 3.999 3.960 -0.032 0.000 0.220 95 G C 1.444 176.337 174.900 -0.013 0.000 1.130 95 G CA 0.772 45.867 45.100 -0.008 0.000 0.760 95 G HN 1.053 nan 8.290 nan 0.000 0.557 96 G N 0.374 109.165 108.800 -0.015 0.000 2.408 96 G HA2 -0.081 3.859 3.960 -0.032 0.000 0.217 96 G HA3 -0.081 3.859 3.960 -0.032 0.000 0.217 96 G C 1.600 176.481 174.900 -0.032 0.000 1.150 96 G CA 0.918 46.005 45.100 -0.023 0.000 0.776 96 G HN 0.512 nan 8.290 nan 0.000 0.542 97 E N -0.359 119.821 120.200 -0.034 0.000 2.072 97 E HA -0.071 4.259 4.350 -0.032 0.000 0.191 97 E C 2.399 178.968 176.600 -0.052 0.000 0.985 97 E CA 0.596 56.964 56.400 -0.053 0.000 0.801 97 E CB -0.157 29.510 29.700 -0.056 0.000 0.750 97 E HN 0.323 nan 8.360 nan 0.000 0.452 98 L N 1.271 122.474 121.223 -0.035 0.000 2.017 98 L HA -0.133 4.188 4.340 -0.032 0.000 0.208 98 L C 2.245 179.111 176.870 -0.006 0.000 1.073 98 L CA 2.118 56.943 54.840 -0.024 0.000 0.745 98 L CB -0.775 41.276 42.059 -0.013 0.000 0.894 98 L HN 0.019 nan 8.230 nan 0.000 0.432 99 A N -1.319 121.498 122.820 -0.005 0.000 1.940 99 A HA -0.144 4.157 4.320 -0.032 0.000 0.219 99 A C 2.257 179.857 177.584 0.027 0.000 1.176 99 A CA 2.003 54.046 52.037 0.010 0.000 0.631 99 A CB -1.011 17.985 19.000 -0.007 0.000 0.814 99 A HN 0.337 nan 8.150 nan 0.000 0.446 100 V N -0.456 119.455 119.914 -0.005 0.000 2.379 100 V HA -0.157 3.944 4.120 -0.032 0.000 0.245 100 V C 3.024 179.140 176.094 0.036 0.000 1.044 100 V CA 1.667 63.966 62.300 -0.001 0.000 1.036 100 V CB -1.112 30.674 31.823 -0.062 0.000 0.664 100 V HN 0.606 nan 8.190 nan 0.000 0.453 101 A N -0.056 122.763 122.820 -0.003 0.000 1.877 101 A HA -0.171 4.129 4.320 -0.032 0.000 0.216 101 A C 2.101 179.747 177.584 0.103 0.000 1.186 101 A CA 1.745 53.792 52.037 0.016 0.000 0.620 101 A CB -0.597 18.357 19.000 -0.076 0.000 0.822 101 A HN 0.393 nan 8.150 nan 0.000 0.443 102 L N -0.474 120.800 121.223 0.085 0.000 2.083 102 L HA -0.167 4.154 4.340 -0.032 0.000 0.209 102 L C 2.409 179.326 176.870 0.078 0.000 1.083 102 L CA 2.079 56.970 54.840 0.085 0.000 0.752 102 L CB -1.279 40.817 42.059 0.062 0.000 0.899 102 L HN 0.669 nan 8.230 nan 0.000 0.433 103 H N -0.369 118.705 119.070 0.007 0.000 2.456 103 H HA -0.066 4.471 4.556 -0.032 0.000 0.296 103 H C 1.530 176.858 175.328 -0.000 0.000 1.079 103 H CA 1.286 57.332 56.048 -0.003 0.000 1.322 103 H CB 0.513 30.265 29.762 -0.018 0.000 1.388 103 H HN 0.299 nan 8.280 nan 0.000 0.538 104 A N -0.125 122.700 122.820 0.009 0.000 2.278 104 A HA 0.183 4.484 4.320 -0.032 0.000 0.212 104 A C 1.135 178.709 177.584 -0.016 0.000 1.213 104 A CA 0.591 52.610 52.037 -0.029 0.000 0.840 104 A CB -0.059 18.966 19.000 0.041 0.000 0.866 104 A HN 0.370 nan 8.150 nan 0.000 0.489 105 S N -1.812 113.878 115.700 -0.018 0.000 3.587 105 S HA -0.202 4.249 4.470 -0.032 0.000 0.337 105 S C -0.015 174.596 174.600 0.018 0.000 1.119 105 S CA 0.627 58.820 58.200 -0.012 0.000 0.976 105 S CB -2.276 60.889 63.200 -0.058 0.000 0.922 105 S HN 0.694 nan 8.310 nan 0.000 0.503 106 F N 2.690 122.622 119.950 -0.030 0.000 2.578 106 F HA 0.308 4.816 4.527 -0.032 0.000 0.376 106 F C -1.882 173.910 175.800 -0.014 0.000 1.085 106 F CA -1.618 56.373 58.000 -0.016 0.000 1.260 106 F CB 0.455 39.450 39.000 -0.009 0.000 1.095 106 F HN -0.061 nan 8.300 nan 0.000 0.573 107 P HA 0.075 nan 4.420 nan 0.000 0.266 107 P C -2.229 175.129 177.300 0.097 0.000 1.215 107 P CA -0.893 62.135 63.100 -0.120 0.000 0.763 107 P CB 0.553 32.112 31.700 -0.235 0.000 0.806 108 P HA -0.166 nan 4.420 nan 0.000 0.221 108 P C 1.313 178.655 177.300 0.071 0.000 1.150 108 P CA 1.137 64.296 63.100 0.098 0.000 0.800 108 P CB -0.156 31.572 31.700 0.047 0.000 0.787 109 E N 0.720 120.943 120.200 0.039 0.000 2.333 109 E HA -0.171 4.160 4.350 -0.032 0.000 0.198 109 E C 1.190 177.830 176.600 0.066 0.000 1.007 109 E CA 1.031 57.446 56.400 0.024 0.000 0.845 109 E CB -0.558 29.143 29.700 0.002 0.000 0.766 109 E HN 0.297 nan 8.360 nan 0.000 0.507 110 R N 0.504 121.076 120.500 0.121 0.000 2.466 110 R HA 0.403 4.724 4.340 -0.032 0.000 0.279 110 R C 0.179 176.599 176.300 0.200 0.000 0.976 110 R CA -0.133 56.068 56.100 0.169 0.000 1.081 110 R CB 0.446 30.859 30.300 0.189 0.000 1.215 110 R HN 0.137 nan 8.270 nan 0.000 0.546 111 I N 0.527 121.181 120.570 0.140 0.000 2.412 111 I HA 0.256 4.406 4.170 -0.032 0.000 0.296 111 I C -0.090 176.042 176.117 0.025 0.000 0.987 111 I CA -0.475 60.855 61.300 0.051 0.000 1.180 111 I CB 2.199 40.232 38.000 0.055 0.000 1.340 111 I HN -0.108 nan 8.210 nan 0.000 0.455 112 T N 6.431 120.979 114.554 -0.011 0.000 2.829 112 T HA 0.458 4.788 4.350 -0.032 0.000 0.280 112 T C -0.685 173.983 174.700 -0.052 0.000 0.999 112 T CA -0.442 61.653 62.100 -0.008 0.000 0.983 112 T CB 1.867 70.744 68.868 0.014 0.000 0.968 112 T HN 0.206 nan 8.240 nan 0.000 0.446 113 L N 4.472 125.632 121.223 -0.105 0.000 2.272 113 L HA 0.447 4.768 4.340 -0.032 0.000 0.289 113 L C -0.376 176.358 176.870 -0.225 0.000 1.032 113 L CA -0.171 54.610 54.840 -0.099 0.000 0.810 113 L CB 0.265 42.289 42.059 -0.057 0.000 1.205 113 L HN 0.646 nan 8.230 nan 0.000 0.422 114 H N 3.133 122.167 119.070 -0.061 0.000 2.595 114 H HA 0.871 5.408 4.556 -0.032 0.000 0.346 114 H C -0.109 175.219 175.328 -0.000 0.000 1.181 114 H CA -0.194 55.810 56.048 -0.074 0.000 1.242 114 H CB 2.107 31.787 29.762 -0.137 0.000 1.652 114 H HN 0.792 nan 8.280 nan 0.000 0.548 115 G N 0.416 109.347 108.800 0.218 0.000 2.326 115 G HA2 -0.171 3.770 3.960 -0.032 0.000 0.478 115 G HA3 -0.171 3.770 3.960 -0.032 0.000 0.478 115 G C 0.136 175.172 174.900 0.226 0.000 1.551 115 G CA -0.255 44.995 45.100 0.251 0.000 0.946 115 G HN 0.753 nan 8.290 nan 0.000 0.671 116 N N -0.286 118.525 118.700 0.184 0.000 2.446 116 N HA 0.005 4.726 4.740 -0.032 0.000 0.179 116 N C 0.764 176.251 175.510 -0.038 0.000 1.054 116 N CA 0.955 53.996 53.050 -0.015 0.000 0.905 116 N CB 0.371 38.598 38.487 -0.433 0.000 0.973 116 N HN 0.504 nan 8.380 nan 0.000 0.448 117 N N 0.005 118.697 118.700 -0.013 0.000 2.646 117 N HA 0.089 4.809 4.740 -0.032 0.000 0.296 117 N C -1.284 174.225 175.510 -0.001 0.000 1.886 117 N CA -0.414 52.625 53.050 -0.019 0.000 0.855 117 N CB 0.267 38.732 38.487 -0.038 0.000 1.336 117 N HN 0.099 nan 8.380 nan 0.000 0.496 118 K N 1.201 121.606 120.400 0.009 0.000 2.447 118 K HA 0.054 4.354 4.320 -0.032 0.000 0.281 118 K C 0.657 177.256 176.600 -0.002 0.000 1.031 118 K CA 0.006 56.297 56.287 0.006 0.000 1.019 118 K CB 0.762 33.266 32.500 0.006 0.000 0.918 118 K HN 0.305 nan 8.250 nan 0.000 0.476 119 S N 1.101 116.799 115.700 -0.003 0.000 2.624 119 S HA 0.062 4.512 4.470 -0.032 0.000 0.263 119 S C 1.484 176.080 174.600 -0.007 0.000 1.287 119 S CA -1.018 57.178 58.200 -0.006 0.000 0.990 119 S CB 1.211 64.407 63.200 -0.007 0.000 0.950 119 S HN 0.331 nan 8.310 nan 0.000 0.561 120 V N 1.618 121.527 119.914 -0.008 0.000 2.324 120 V HA -0.198 3.903 4.120 -0.032 0.000 0.250 120 V C 3.017 179.105 176.094 -0.010 0.000 1.060 120 V CA 2.507 64.801 62.300 -0.010 0.000 1.042 120 V CB -1.351 30.466 31.823 -0.010 0.000 0.650 120 V HN 1.094 nan 8.190 nan 0.000 0.450 121 S N -0.495 115.199 115.700 -0.009 0.000 2.402 121 S HA -0.208 4.243 4.470 -0.032 0.000 0.229 121 S C 1.815 176.410 174.600 -0.008 0.000 1.021 121 S CA 1.671 59.865 58.200 -0.009 0.000 0.974 121 S CB -0.309 62.886 63.200 -0.008 0.000 0.800 121 S HN 0.739 nan 8.310 nan 0.000 0.484 122 E N 0.991 121.187 120.200 -0.007 0.000 2.072 122 E HA -0.009 4.322 4.350 -0.032 0.000 0.191 122 E C 2.157 178.752 176.600 -0.009 0.000 0.985 122 E CA 1.277 57.672 56.400 -0.007 0.000 0.801 122 E CB -0.342 29.355 29.700 -0.004 0.000 0.750 122 E HN 0.483 nan 8.360 nan 0.000 0.452 123 L N 0.829 122.046 121.223 -0.010 0.000 2.012 123 L HA -0.209 4.112 4.340 -0.032 0.000 0.210 123 L C 2.623 179.484 176.870 -0.014 0.000 1.073 123 L CA 1.354 56.187 54.840 -0.012 0.000 0.748 123 L CB -0.666 41.386 42.059 -0.012 0.000 0.891 123 L HN 0.186 nan 8.230 nan 0.000 0.431 124 T N -0.181 114.365 114.554 -0.014 0.000 2.684 124 T HA -0.231 4.100 4.350 -0.032 0.000 0.267 124 T C 1.955 176.647 174.700 -0.013 0.000 1.036 124 T CA 1.521 63.612 62.100 -0.016 0.000 1.148 124 T CB -0.293 68.566 68.868 -0.015 0.000 0.863 124 T HN 0.474 nan 8.240 nan 0.000 0.436 125 A N 1.266 124.080 122.820 -0.010 0.000 1.933 125 A HA 0.182 4.483 4.320 -0.032 0.000 0.218 125 A C 2.634 180.214 177.584 -0.007 0.000 1.175 125 A CA 1.808 53.840 52.037 -0.007 0.000 0.628 125 A CB -1.059 17.938 19.000 -0.005 0.000 0.814 125 A HN 0.511 nan 8.150 nan 0.000 0.444 126 A N -0.052 122.763 122.820 -0.010 0.000 1.883 126 A HA -0.058 4.243 4.320 -0.032 0.000 0.217 126 A C 2.378 179.954 177.584 -0.013 0.000 1.186 126 A CA 2.418 54.449 52.037 -0.011 0.000 0.624 126 A CB -1.224 17.767 19.000 -0.015 0.000 0.822 126 A HN 1.234 nan 8.150 nan 0.000 0.444 127 V N -1.859 118.045 119.914 -0.017 0.000 2.591 127 V HA -0.072 4.029 4.120 -0.032 0.000 0.249 127 V C 2.089 178.173 176.094 -0.017 0.000 1.053 127 V CA 2.347 64.635 62.300 -0.020 0.000 1.068 127 V CB -0.714 31.095 31.823 -0.023 0.000 0.689 127 V HN 0.515 nan 8.190 nan 0.000 0.462 128 K N 0.829 121.220 120.400 -0.014 0.000 2.057 128 K HA -0.048 4.253 4.320 -0.032 0.000 0.207 128 K C 2.159 178.754 176.600 -0.008 0.000 1.049 128 K CA 1.669 57.949 56.287 -0.012 0.000 0.931 128 K CB -0.466 32.028 32.500 -0.010 0.000 0.714 128 K HN 0.608 nan 8.250 nan 0.000 0.440 129 A N -0.052 122.766 122.820 -0.004 0.000 2.119 129 A HA 0.104 4.405 4.320 -0.032 0.000 0.217 129 A C 1.307 178.891 177.584 -0.001 0.000 1.153 129 A CA 1.147 53.185 52.037 0.002 0.000 0.692 129 A CB -0.398 18.607 19.000 0.010 0.000 0.799 129 A HN 0.544 nan 8.150 nan 0.000 0.458 130 G N -1.237 107.557 108.800 -0.009 0.000 2.142 130 G HA2 -0.153 3.788 3.960 -0.032 0.000 0.225 130 G HA3 -0.153 3.788 3.960 -0.032 0.000 0.225 130 G C 0.094 174.983 174.900 -0.017 0.000 1.015 130 G CA -0.033 45.057 45.100 -0.016 0.000 0.716 130 G HN 0.795 nan 8.290 nan 0.000 0.508 131 V N 0.520 120.426 119.914 -0.014 0.000 2.584 131 V HA 0.310 4.411 4.120 -0.032 0.000 0.303 131 V C 2.127 178.191 176.094 -0.049 0.000 1.035 131 V CA 1.498 63.791 62.300 -0.012 0.000 1.172 131 V CB 0.801 32.618 31.823 -0.010 0.000 0.896 131 V HN 0.687 nan 8.190 nan 0.000 0.486 132 G N 4.071 112.841 108.800 -0.050 0.000 2.421 132 G HA2 -0.111 3.829 3.960 -0.032 0.000 0.216 132 G HA3 -0.111 3.829 3.960 -0.032 0.000 0.216 132 G C 0.405 175.083 174.900 -0.370 0.000 1.171 132 G CA 0.561 45.559 45.100 -0.171 0.000 0.775 132 G HN 0.751 nan 8.290 nan 0.000 0.543 133 H N -1.840 117.217 119.070 -0.021 0.000 2.768 133 H HA 0.642 5.179 4.556 -0.032 0.000 0.371 133 H C -1.058 174.227 175.328 -0.073 0.000 1.151 133 H CA -0.732 55.296 56.048 -0.034 0.000 1.165 133 H CB 2.447 32.198 29.762 -0.018 0.000 1.722 133 H HN 0.029 nan 8.280 nan 0.000 0.543 134 I N 2.360 122.956 120.570 0.043 0.000 2.447 134 I HA 0.213 4.364 4.170 -0.032 0.000 0.287 134 I C -0.685 175.381 176.117 -0.085 0.000 1.023 134 I CA -0.898 60.374 61.300 -0.048 0.000 1.083 134 I CB 1.961 39.939 38.000 -0.037 0.000 1.245 134 I HN 0.263 nan 8.210 nan 0.000 0.434 135 V N 7.172 126.950 119.914 -0.228 0.000 2.372 135 V HA 0.122 4.223 4.120 -0.032 0.000 0.261 135 V C 0.373 176.390 176.094 -0.128 0.000 1.055 135 V CA -0.640 61.513 62.300 -0.245 0.000 0.930 135 V CB 0.899 32.387 31.823 -0.559 0.000 1.031 135 V HN 0.520 nan 8.190 nan 0.000 0.479 136 V N 1.801 121.684 119.914 -0.052 0.000 2.686 136 V HA 0.411 4.512 4.120 -0.032 0.000 0.295 136 V C 0.471 176.580 176.094 0.024 0.000 1.055 136 V CA 0.081 62.374 62.300 -0.012 0.000 1.050 136 V CB 1.462 33.280 31.823 -0.007 0.000 0.984 136 V HN 0.777 nan 8.190 nan 0.000 0.482 137 D N 1.814 122.241 120.400 0.044 0.000 2.474 137 D HA 0.246 4.866 4.640 -0.032 0.000 0.213 137 D C 0.403 176.737 176.300 0.056 0.000 1.120 137 D CA 0.873 54.925 54.000 0.086 0.000 0.836 137 D CB 0.563 41.449 40.800 0.144 0.000 1.019 137 D HN 1.069 nan 8.370 nan 0.000 0.507 138 S N -1.516 114.202 115.700 0.029 0.000 2.567 138 S HA 0.220 4.671 4.470 -0.032 0.000 0.270 138 S C 0.708 175.312 174.600 0.007 0.000 1.152 138 S CA -0.763 57.447 58.200 0.016 0.000 0.835 138 S CB 1.048 64.252 63.200 0.007 0.000 1.115 138 S HN -0.202 nan 8.310 nan 0.000 0.459 139 M N 1.566 121.169 119.600 0.004 0.000 2.080 139 M HA -0.066 4.395 4.480 -0.032 0.000 0.260 139 M C 2.149 178.450 176.300 0.002 0.000 1.068 139 M CA 2.279 57.580 55.300 0.001 0.000 1.109 139 M CB -2.343 30.258 32.600 0.002 0.000 1.342 139 M HN 0.929 nan 8.290 nan 0.000 0.405 140 T N 0.037 114.592 114.554 0.001 0.000 2.684 140 T HA -0.209 4.121 4.350 -0.032 0.000 0.267 140 T C 1.793 176.493 174.700 0.001 0.000 1.036 140 T CA 1.806 63.906 62.100 0.000 0.000 1.148 140 T CB -0.285 68.581 68.868 -0.003 0.000 0.863 140 T HN 0.509 nan 8.240 nan 0.000 0.436 141 E N 0.631 120.832 120.200 0.001 0.000 2.051 141 E HA -0.119 4.212 4.350 -0.032 0.000 0.192 141 E C 2.221 178.822 176.600 0.002 0.000 0.991 141 E CA 0.961 57.362 56.400 0.001 0.000 0.799 141 E CB -0.260 29.442 29.700 0.003 0.000 0.748 141 E HN 0.500 nan 8.360 nan 0.000 0.449 142 I N 1.831 122.403 120.570 0.002 0.000 2.151 142 I HA -0.329 3.822 4.170 -0.032 0.000 0.243 142 I C 2.468 178.592 176.117 0.012 0.000 1.080 142 I CA 1.646 62.949 61.300 0.004 0.000 1.339 142 I CB -0.470 37.528 38.000 -0.003 0.000 1.039 142 I HN 0.200 nan 8.210 nan 0.000 0.409 143 E N 1.124 121.331 120.200 0.011 0.000 2.085 143 E HA -0.251 4.079 4.350 -0.032 0.000 0.194 143 E C 2.271 178.879 176.600 0.013 0.000 0.994 143 E CA 1.239 57.648 56.400 0.016 0.000 0.801 143 E CB -0.455 29.252 29.700 0.012 0.000 0.743 143 E HN 0.566 nan 8.360 nan 0.000 0.453 144 R N 0.708 121.211 120.500 0.005 0.000 2.073 144 R HA -0.022 4.299 4.340 -0.032 0.000 0.234 144 R C 2.679 178.978 176.300 -0.002 0.000 1.134 144 R CA 0.955 57.055 56.100 -0.000 0.000 0.952 144 R CB -0.435 29.863 30.300 -0.003 0.000 0.850 144 R HN 0.152 nan 8.270 nan 0.000 0.433 145 L N 0.837 122.061 121.223 0.002 0.000 2.046 145 L HA -0.216 4.105 4.340 -0.032 0.000 0.208 145 L C 2.040 178.916 176.870 0.010 0.000 1.077 145 L CA 1.602 56.443 54.840 0.002 0.000 0.747 145 L CB -0.376 41.686 42.059 0.005 0.000 0.896 145 L HN 0.221 nan 8.230 nan 0.000 0.432 146 D N -0.126 120.294 120.400 0.033 0.000 2.116 146 D HA -0.217 4.404 4.640 -0.032 0.000 0.193 146 D C 2.068 178.385 176.300 0.029 0.000 0.998 146 D CA 1.612 55.659 54.000 0.079 0.000 0.836 146 D CB 0.153 41.011 40.800 0.096 0.000 0.951 146 D HN 0.380 nan 8.370 nan 0.000 0.449 147 A N -0.071 122.747 122.820 -0.003 0.000 1.902 147 A HA -0.091 4.210 4.320 -0.032 0.000 0.217 147 A C 2.541 180.070 177.584 -0.093 0.000 1.181 147 A CA 1.212 53.219 52.037 -0.049 0.000 0.623 147 A CB -0.687 18.300 19.000 -0.023 0.000 0.818 147 A HN 0.362 nan 8.150 nan 0.000 0.443 148 I N -0.377 120.156 120.570 -0.061 0.000 2.252 148 I HA -0.218 3.933 4.170 -0.032 0.000 0.245 148 I C 2.939 179.006 176.117 -0.083 0.000 1.102 148 I CA 0.970 62.233 61.300 -0.061 0.000 1.385 148 I CB -0.259 37.719 38.000 -0.036 0.000 1.064 148 I HN 0.334 nan 8.210 nan 0.000 0.414 149 A N 0.829 123.603 122.820 -0.077 0.000 1.902 149 A HA -0.113 4.188 4.320 -0.032 0.000 0.217 149 A C 2.437 179.917 177.584 -0.173 0.000 1.181 149 A CA 1.856 53.852 52.037 -0.067 0.000 0.623 149 A CB -1.455 17.555 19.000 0.017 0.000 0.818 149 A HN 0.450 nan 8.150 nan 0.000 0.443 150 G N -0.487 108.042 108.800 -0.450 0.000 2.418 150 G HA2 -0.225 3.715 3.960 -0.032 0.000 0.217 150 G HA3 -0.225 3.715 3.960 -0.032 0.000 0.217 150 G C 1.420 176.109 174.900 -0.350 0.000 1.158 150 G CA 1.004 45.587 45.100 -0.861 0.000 0.771 150 G HN 0.649 nan 8.290 nan 0.000 0.545 151 E N 0.410 120.474 120.200 -0.226 0.000 2.110 151 E HA -0.056 4.274 4.350 -0.032 0.000 0.193 151 E C 2.816 179.365 176.600 -0.085 0.000 0.988 151 E CA 0.793 57.120 56.400 -0.122 0.000 0.804 151 E CB -0.148 29.499 29.700 -0.088 0.000 0.745 151 E HN 0.434 nan 8.360 nan 0.000 0.458 152 A N 0.144 122.914 122.820 -0.083 0.000 2.066 152 A HA 0.125 4.426 4.320 -0.032 0.000 0.218 152 A C 1.833 179.394 177.584 -0.039 0.000 1.157 152 A CA 1.035 53.041 52.037 -0.051 0.000 0.670 152 A CB -0.346 18.629 19.000 -0.042 0.000 0.804 152 A HN 0.358 nan 8.150 nan 0.000 0.453 153 G N -0.959 107.812 108.800 -0.048 0.000 2.137 153 G HA2 -0.183 3.757 3.960 -0.032 0.000 0.237 153 G HA3 -0.183 3.757 3.960 -0.032 0.000 0.237 153 G C 0.051 174.958 174.900 0.011 0.000 1.002 153 G CA 0.515 45.607 45.100 -0.012 0.000 0.702 153 G HN 1.461 nan 8.290 nan 0.000 0.515 154 I N -2.882 117.693 120.570 0.009 0.000 2.846 154 I HA 0.861 5.012 4.170 -0.032 0.000 0.307 154 I C 0.017 176.165 176.117 0.053 0.000 1.053 154 I CA -1.849 59.462 61.300 0.019 0.000 1.050 154 I CB 2.238 40.236 38.000 -0.003 0.000 1.239 154 I HN -0.017 nan 8.210 nan 0.000 0.439 155 V N 3.225 123.163 119.914 0.040 0.000 2.333 155 V HA 0.418 4.518 4.120 -0.032 0.000 0.274 155 V C -0.095 176.006 176.094 0.012 0.000 1.028 155 V CA -0.398 61.928 62.300 0.044 0.000 0.851 155 V CB 0.631 32.470 31.823 0.027 0.000 1.000 155 V HN 0.835 nan 8.190 nan 0.000 0.456 156 Q N 3.506 123.317 119.800 0.018 0.000 2.279 156 Q HA 0.253 4.573 4.340 -0.032 0.000 0.256 156 Q C -0.539 175.454 176.000 -0.013 0.000 0.937 156 Q CA -0.101 55.695 55.803 -0.011 0.000 0.933 156 Q CB 0.874 29.610 28.738 -0.003 0.000 1.189 156 Q HN 0.695 nan 8.270 nan 0.000 0.417 157 D N 2.746 123.111 120.400 -0.058 0.000 2.390 157 D HA 0.258 4.878 4.640 -0.032 0.000 0.249 157 D C -0.492 175.833 176.300 0.043 0.000 1.144 157 D CA 0.130 54.113 54.000 -0.029 0.000 0.880 157 D CB 0.798 41.506 40.800 -0.152 0.000 1.182 157 D HN 0.410 nan 8.370 nan 0.000 0.451 158 V N -0.367 119.605 119.914 0.097 0.000 3.040 158 V HA 0.732 4.832 4.120 -0.032 0.000 0.312 158 V C -0.969 175.183 176.094 0.097 0.000 1.115 158 V CA -0.982 61.370 62.300 0.086 0.000 0.998 158 V CB 1.787 33.629 31.823 0.032 0.000 1.042 158 V HN 0.225 nan 8.190 nan 0.000 0.433 159 L N 2.347 123.600 121.223 0.049 0.000 2.342 159 L HA 0.724 5.045 4.340 -0.032 0.000 0.271 159 L C -0.190 176.688 176.870 0.013 0.000 1.008 159 L CA -0.641 54.216 54.840 0.029 0.000 0.818 159 L CB 2.036 44.105 42.059 0.017 0.000 1.296 159 L HN 0.606 nan 8.230 nan 0.000 0.427 160 V N 2.097 122.024 119.914 0.021 0.000 2.432 160 V HA 0.391 4.492 4.120 -0.032 0.000 0.275 160 V C 0.328 176.473 176.094 0.085 0.000 1.043 160 V CA -0.654 61.661 62.300 0.025 0.000 0.925 160 V CB 1.158 32.973 31.823 -0.014 0.000 0.985 160 V HN 0.659 nan 8.190 nan 0.000 0.466 161 R N 4.922 125.490 120.500 0.114 0.000 2.347 161 R HA 0.524 4.845 4.340 -0.032 0.000 0.304 161 R C -1.031 175.358 176.300 0.149 0.000 1.072 161 R CA -0.168 56.061 56.100 0.215 0.000 0.980 161 R CB 0.346 30.795 30.300 0.249 0.000 0.986 161 R HN 0.691 nan 8.270 nan 0.000 0.448 162 L N 2.625 123.924 121.223 0.126 0.000 2.333 162 L HA 0.466 4.786 4.340 -0.032 0.000 0.269 162 L C -0.107 176.801 176.870 0.065 0.000 1.010 162 L CA -0.936 53.944 54.840 0.068 0.000 0.818 162 L CB 2.355 44.430 42.059 0.027 0.000 1.306 162 L HN 0.593 nan 8.230 nan 0.000 0.430 163 T N 1.126 115.713 114.554 0.054 0.000 2.772 163 T HA 0.325 4.655 4.350 -0.032 0.000 0.288 163 T C 0.488 175.196 174.700 0.012 0.000 0.994 163 T CA -0.391 61.736 62.100 0.045 0.000 0.951 163 T CB 1.249 70.159 68.868 0.069 0.000 0.933 163 T HN 0.498 nan 8.240 nan 0.000 0.447 164 V N 0.854 120.760 119.914 -0.014 0.000 3.427 164 V HA 0.564 4.664 4.120 -0.032 0.000 0.305 164 V C 1.229 177.302 176.094 -0.034 0.000 1.412 164 V CA 0.242 62.525 62.300 -0.028 0.000 1.086 164 V CB -0.317 31.480 31.823 -0.044 0.000 0.964 164 V HN 1.065 nan 8.190 nan 0.000 0.439 165 G N 0.489 109.275 108.800 -0.024 0.000 2.198 165 G HA2 -0.176 3.765 3.960 -0.032 0.000 0.257 165 G HA3 -0.176 3.765 3.960 -0.032 0.000 0.257 165 G C -0.123 174.767 174.900 -0.015 0.000 1.042 165 G CA 0.243 45.333 45.100 -0.017 0.000 0.791 165 G HN 0.985 nan 8.290 nan 0.000 0.502 166 V N 0.004 119.887 119.914 -0.053 0.000 2.448 166 V HA 0.645 4.746 4.120 -0.032 0.000 0.295 166 V C 0.103 176.135 176.094 -0.104 0.000 1.025 166 V CA -0.659 61.590 62.300 -0.085 0.000 0.859 166 V CB 1.961 33.651 31.823 -0.221 0.000 0.988 166 V HN 0.406 nan 8.190 nan 0.000 0.431 167 E N 3.431 123.606 120.200 -0.041 0.000 2.185 167 E HA 0.722 5.053 4.350 -0.032 0.000 0.261 167 E C -0.792 175.747 176.600 -0.102 0.000 0.879 167 E CA -0.541 55.808 56.400 -0.085 0.000 0.756 167 E CB 1.678 31.391 29.700 0.022 0.000 1.152 167 E HN 0.839 nan 8.360 nan 0.000 0.416 168 A N 4.446 127.055 122.820 -0.352 0.000 2.330 168 A HA 0.657 4.958 4.320 -0.032 0.000 0.327 168 A C -1.417 175.756 177.584 -0.685 0.000 1.155 168 A CA -0.522 51.314 52.037 -0.335 0.000 0.803 168 A CB 0.669 19.412 19.000 -0.429 0.000 1.208 168 A HN 0.771 nan 8.150 nan 0.000 0.477 169 H N 0.227 119.208 119.070 -0.148 0.000 2.895 169 H HA 0.611 5.147 4.556 -0.032 0.000 0.373 169 H C 1.114 176.280 175.328 -0.271 0.000 1.174 169 H CA 0.409 56.320 56.048 -0.228 0.000 1.144 169 H CB 1.589 31.235 29.762 -0.193 0.000 1.793 169 H HN 1.208 nan 8.280 nan 0.000 0.551 170 T N -1.020 113.289 114.554 -0.409 0.000 11.819 170 T HA -0.400 3.930 4.350 -0.032 0.000 0.359 170 T C 0.755 175.258 174.700 -0.328 0.000 1.503 170 T CA 1.813 63.511 62.100 -0.670 0.000 2.035 170 T CB -1.052 67.612 68.868 -0.341 0.000 2.410 170 T HN 0.863 nan 8.240 nan 0.000 0.441 171 H N 3.793 122.906 119.070 0.072 0.000 2.487 171 H HA 0.460 4.997 4.556 -0.033 0.000 0.290 171 H C 0.996 176.364 175.328 0.066 0.000 1.081 171 H CA 0.514 56.638 56.048 0.126 0.000 1.116 171 H CB -0.014 29.843 29.762 0.159 0.000 1.560 171 H HN 0.857 nan 8.280 nan 0.000 0.548 172 E N 0.382 120.647 120.200 0.109 0.000 2.445 172 E HA 0.492 4.822 4.350 -0.032 0.000 0.273 172 E C -1.081 175.573 176.600 0.090 0.000 0.961 172 E CA -1.201 55.223 56.400 0.040 0.000 0.807 172 E CB 2.607 32.301 29.700 -0.010 0.000 1.362 172 E HN -0.002 nan 8.360 nan 0.000 0.453 173 F N -0.998 118.929 119.950 -0.039 0.000 2.654 173 F HA 0.646 5.154 4.527 -0.032 0.000 0.308 173 F C -1.702 174.072 175.800 -0.043 0.000 1.108 173 F CA -1.318 56.639 58.000 -0.071 0.000 0.957 173 F CB 1.226 40.151 39.000 -0.126 0.000 1.309 173 F HN 0.334 nan 8.300 nan 0.000 0.446 174 I N 2.368 123.040 120.570 0.171 0.000 2.404 174 I HA 0.398 4.549 4.170 -0.032 0.000 0.293 174 I C -0.510 175.727 176.117 0.200 0.000 0.992 174 I CA -0.738 60.620 61.300 0.097 0.000 1.149 174 I CB 1.705 39.738 38.000 0.055 0.000 1.315 174 I HN 0.743 nan 8.210 nan 0.000 0.446 175 S N 4.620 120.419 115.700 0.166 0.000 2.433 175 S HA 0.574 5.024 4.470 -0.032 0.000 0.310 175 S C -0.144 174.490 174.600 0.058 0.000 1.097 175 S CA -0.339 57.943 58.200 0.137 0.000 1.103 175 S CB 0.692 64.001 63.200 0.182 0.000 0.992 175 S HN 0.665 nan 8.310 nan 0.000 0.469 176 T N 3.288 117.862 114.554 0.033 0.000 2.945 176 T HA 0.608 4.938 4.350 -0.032 0.000 0.286 176 T C 1.334 176.007 174.700 -0.046 0.000 1.025 176 T CA -0.457 61.650 62.100 0.011 0.000 1.039 176 T CB 1.572 70.454 68.868 0.024 0.000 1.068 176 T HN 0.615 nan 8.240 nan 0.000 0.497 177 A N 0.407 123.177 122.820 -0.084 0.000 2.014 177 A HA 0.056 4.357 4.320 -0.032 0.000 0.218 177 A C 0.621 177.822 177.584 -0.639 0.000 1.163 177 A CA 0.815 52.675 52.037 -0.296 0.000 0.652 177 A CB -0.290 18.581 19.000 -0.215 0.000 0.808 177 A HN 0.855 nan 8.150 nan 0.000 0.449 178 H N -0.649 118.435 119.070 0.023 0.000 3.277 178 H HA 0.226 4.763 4.556 -0.032 0.000 0.329 178 H C -1.393 173.950 175.328 0.024 0.000 1.034 178 H CA -0.580 55.481 56.048 0.021 0.000 1.530 178 H CB 0.500 30.272 29.762 0.017 0.000 1.837 178 H HN 0.483 nan 8.280 nan 0.000 0.493 179 E N 2.427 122.686 120.200 0.098 0.000 2.257 179 E HA -0.016 4.315 4.350 -0.032 0.000 0.278 179 E C -0.395 176.258 176.600 0.089 0.000 1.049 179 E CA -0.258 56.190 56.400 0.080 0.000 0.876 179 E CB 0.626 30.363 29.700 0.062 0.000 1.035 179 E HN 0.383 nan 8.360 nan 0.000 0.419 180 D N 5.018 125.463 120.400 0.076 0.000 2.639 180 D HA 0.081 4.701 4.640 -0.032 0.000 0.233 180 D C -1.076 175.254 176.300 0.049 0.000 1.161 180 D CA -0.236 53.798 54.000 0.057 0.000 1.003 180 D CB -0.012 40.816 40.800 0.047 0.000 1.034 180 D HN 0.403 nan 8.370 nan 0.000 0.514 181 Q N -0.372 119.461 119.800 0.055 0.000 2.707 181 Q HA 0.310 4.630 4.340 -0.032 0.000 0.307 181 Q C 0.594 176.606 176.000 0.020 0.000 0.934 181 Q CA -0.964 54.869 55.803 0.050 0.000 0.753 181 Q CB 0.500 29.299 28.738 0.102 0.000 1.478 181 Q HN -0.060 nan 8.270 nan 0.000 0.458 182 K N -0.544 119.820 120.400 -0.060 0.000 2.228 182 K HA 0.177 4.478 4.320 -0.032 0.000 0.202 182 K C -0.452 176.014 176.600 -0.224 0.000 1.051 182 K CA 0.453 56.617 56.287 -0.206 0.000 0.960 182 K CB -0.062 32.213 32.500 -0.375 0.000 0.743 182 K HN 0.302 nan 8.250 nan 0.000 0.458 183 F N 2.034 122.007 119.950 0.039 0.000 2.375 183 F HA 0.422 4.929 4.527 -0.033 0.000 0.333 183 F C 1.318 177.151 175.800 0.056 0.000 1.104 183 F CA 0.741 58.771 58.000 0.051 0.000 1.149 183 F CB 1.065 40.107 39.000 0.069 0.000 1.190 183 F HN 0.411 nan 8.300 nan 0.000 0.533 184 G N 1.814 110.785 108.800 0.285 0.000 2.796 184 G HA2 -0.168 3.773 3.960 -0.032 0.000 0.226 184 G HA3 -0.168 3.773 3.960 -0.032 0.000 0.226 184 G C -1.604 173.364 174.900 0.114 0.000 1.381 184 G CA -0.939 44.273 45.100 0.188 0.000 0.867 184 G HN 0.699 nan 8.290 nan 0.000 0.552 185 L N -0.194 121.081 121.223 0.086 0.000 2.381 185 L HA 0.639 4.960 4.340 -0.032 0.000 0.268 185 L C 0.757 177.657 176.870 0.050 0.000 0.997 185 L CA -0.718 54.156 54.840 0.057 0.000 0.818 185 L CB 2.256 44.339 42.059 0.039 0.000 1.310 185 L HN 0.791 nan 8.230 nan 0.000 0.416 186 S N 0.874 116.602 115.700 0.047 0.000 2.488 186 S HA 0.168 4.618 4.470 -0.032 0.000 0.278 186 S C 1.117 175.733 174.600 0.028 0.000 1.259 186 S CA -0.639 57.586 58.200 0.041 0.000 1.061 186 S CB 0.954 64.189 63.200 0.057 0.000 0.910 186 S HN 0.408 nan 8.310 nan 0.000 0.491 187 V N 6.128 126.052 119.914 0.016 0.000 2.261 187 V HA -0.184 3.916 4.120 -0.032 0.000 0.246 187 V C 2.749 178.848 176.094 0.008 0.000 1.047 187 V CA 2.381 64.685 62.300 0.006 0.000 1.015 187 V CB -1.368 30.451 31.823 -0.006 0.000 0.642 187 V HN 0.995 nan 8.190 nan 0.000 0.446 188 A N 0.538 123.359 122.820 0.002 0.000 1.972 188 A HA -0.193 4.108 4.320 -0.032 0.000 0.219 188 A C 2.442 180.040 177.584 0.024 0.000 1.169 188 A CA 2.189 54.225 52.037 -0.002 0.000 0.635 188 A CB -0.616 18.360 19.000 -0.040 0.000 0.810 188 A HN 0.709 nan 8.150 nan 0.000 0.446 189 S N -2.373 113.352 115.700 0.042 0.000 2.527 189 S HA 0.356 4.806 4.470 -0.032 0.000 0.222 189 S C 1.530 176.154 174.600 0.039 0.000 0.985 189 S CA 1.150 59.384 58.200 0.057 0.000 0.921 189 S CB -0.152 63.092 63.200 0.073 0.000 0.772 189 S HN 1.890 nan 8.310 nan 0.000 0.529 190 G N 0.657 109.475 108.800 0.030 0.000 2.195 190 G HA2 -0.241 3.700 3.960 -0.032 0.000 0.246 190 G HA3 -0.241 3.700 3.960 -0.032 0.000 0.246 190 G C 1.040 175.954 174.900 0.024 0.000 0.984 190 G CA 0.213 45.328 45.100 0.025 0.000 0.633 190 G HN 1.161 nan 8.290 nan 0.000 0.525 191 A N 0.460 123.295 122.820 0.026 0.000 1.930 191 A HA 0.440 4.740 4.320 -0.032 0.000 0.217 191 A C 2.810 180.402 177.584 0.013 0.000 1.175 191 A CA 2.652 54.702 52.037 0.022 0.000 0.627 191 A CB -0.799 18.217 19.000 0.027 0.000 0.815 191 A HN 1.785 nan 8.150 nan 0.000 0.443 192 A N -0.917 121.911 122.820 0.014 0.000 1.902 192 A HA -0.117 4.183 4.320 -0.032 0.000 0.217 192 A C 2.164 179.740 177.584 -0.015 0.000 1.181 192 A CA 2.224 54.262 52.037 0.002 0.000 0.623 192 A CB -0.497 18.507 19.000 0.007 0.000 0.818 192 A HN 0.529 nan 8.150 nan 0.000 0.443 193 M N 0.342 119.943 119.600 0.003 0.000 2.117 193 M HA -0.049 4.412 4.480 -0.032 0.000 0.262 193 M C 2.128 178.436 176.300 0.013 0.000 1.065 193 M CA 1.695 57.005 55.300 0.017 0.000 1.114 193 M CB -0.680 31.947 32.600 0.045 0.000 1.361 193 M HN 0.381 nan 8.290 nan 0.000 0.408 194 A N -0.449 122.379 122.820 0.013 0.000 1.933 194 A HA 0.029 4.329 4.320 -0.032 0.000 0.218 194 A C 2.343 179.915 177.584 -0.020 0.000 1.175 194 A CA 2.023 54.068 52.037 0.013 0.000 0.628 194 A CB -1.337 17.672 19.000 0.016 0.000 0.814 194 A HN 0.636 nan 8.150 nan 0.000 0.444 195 A N -0.724 122.072 122.820 -0.040 0.000 1.897 195 A HA 0.070 4.371 4.320 -0.032 0.000 0.215 195 A C 2.210 179.703 177.584 -0.152 0.000 1.181 195 A CA 1.545 53.542 52.037 -0.067 0.000 0.620 195 A CB -0.839 18.134 19.000 -0.046 0.000 0.821 195 A HN 0.345 nan 8.150 nan 0.000 0.443 196 V N 0.346 120.132 119.914 -0.214 0.000 2.295 196 V HA -0.290 3.811 4.120 -0.032 0.000 0.246 196 V C 2.671 178.358 176.094 -0.678 0.000 1.049 196 V CA 2.278 64.287 62.300 -0.484 0.000 1.024 196 V CB -0.806 30.741 31.823 -0.460 0.000 0.648 196 V HN 0.529 nan 8.190 nan 0.000 0.447 197 R N -0.344 119.964 120.500 -0.320 0.000 2.091 197 R HA -0.206 4.115 4.340 -0.032 0.000 0.238 197 R C 2.477 178.718 176.300 -0.098 0.000 1.136 197 R CA 1.665 57.684 56.100 -0.136 0.000 0.959 197 R CB -0.446 29.945 30.300 0.151 0.000 0.856 197 R HN 0.309 nan 8.270 nan 0.000 0.437 198 R N 1.141 121.590 120.500 -0.085 0.000 2.073 198 R HA -0.097 4.224 4.340 -0.032 0.000 0.234 198 R C 2.026 178.299 176.300 -0.044 0.000 1.134 198 R CA 1.522 57.599 56.100 -0.038 0.000 0.952 198 R CB -0.854 29.430 30.300 -0.027 0.000 0.850 198 R HN 0.036 nan 8.270 nan 0.000 0.433 199 V N 0.544 120.392 119.914 -0.109 0.000 2.295 199 V HA -0.215 3.886 4.120 -0.032 0.000 0.246 199 V C 2.107 178.237 176.094 0.059 0.000 1.049 199 V CA 1.794 64.058 62.300 -0.060 0.000 1.024 199 V CB -0.681 31.070 31.823 -0.119 0.000 0.648 199 V HN 0.179 nan 8.190 nan 0.000 0.447 200 F N 0.855 120.700 119.950 -0.175 0.000 2.216 200 F HA -0.072 4.436 4.527 -0.032 0.000 0.300 200 F C 2.411 178.134 175.800 -0.127 0.000 1.085 200 F CA 0.756 58.624 58.000 -0.219 0.000 1.326 200 F CB -1.454 37.264 39.000 -0.470 0.000 1.027 200 F HN 0.167 nan 8.300 nan 0.000 0.497 201 A N -0.514 122.365 122.820 0.099 0.000 2.119 201 A HA -0.047 4.253 4.320 -0.032 0.000 0.217 201 A C 1.312 178.907 177.584 0.019 0.000 1.153 201 A CA 1.176 53.250 52.037 0.061 0.000 0.692 201 A CB -1.141 17.893 19.000 0.057 0.000 0.799 201 A HN 0.328 nan 8.150 nan 0.000 0.458 202 T N -2.859 111.701 114.554 0.010 0.000 2.907 202 T HA 0.406 4.736 4.350 -0.032 0.000 0.284 202 T C 0.061 174.697 174.700 -0.107 0.000 1.004 202 T CA -0.239 61.837 62.100 -0.039 0.000 1.063 202 T CB 1.367 70.240 68.868 0.008 0.000 0.992 202 T HN 0.206 nan 8.240 nan 0.000 0.483 203 D N 0.947 121.177 120.400 -0.283 0.000 2.271 203 D HA -0.020 4.601 4.640 -0.032 0.000 0.206 203 D C 1.242 177.350 176.300 -0.320 0.000 0.967 203 D CA 1.080 54.868 54.000 -0.353 0.000 0.867 203 D CB -0.103 40.390 40.800 -0.512 0.000 0.960 203 D HN 0.852 nan 8.370 nan 0.000 0.509 204 H N -0.678 118.395 119.070 0.006 0.000 2.539 204 H HA 0.207 4.743 4.556 -0.032 0.000 0.269 204 H C -0.051 175.278 175.328 0.001 0.000 0.980 204 H CA -0.199 55.849 56.048 0.001 0.000 1.152 204 H CB 0.513 30.274 29.762 -0.001 0.000 1.407 204 H HN -0.068 nan 8.280 nan 0.000 0.564 205 L N 0.520 121.786 121.223 0.071 0.000 2.333 205 L HA 0.455 4.775 4.340 -0.032 0.000 0.269 205 L C -0.153 176.744 176.870 0.046 0.000 1.010 205 L CA -0.989 53.885 54.840 0.056 0.000 0.818 205 L CB 1.883 43.972 42.059 0.051 0.000 1.306 205 L HN 0.100 nan 8.230 nan 0.000 0.430 206 R N 1.786 122.316 120.500 0.049 0.000 2.502 206 R HA 0.519 4.839 4.340 -0.032 0.000 0.300 206 R C -1.453 174.901 176.300 0.091 0.000 0.984 206 R CA -0.839 55.298 56.100 0.062 0.000 0.882 206 R CB 1.320 31.641 30.300 0.035 0.000 1.180 206 R HN 0.465 nan 8.270 nan 0.000 0.444 207 L N 6.707 128.016 121.223 0.144 0.000 2.385 207 L HA 0.119 4.439 4.340 -0.032 0.000 0.281 207 L C 0.479 177.430 176.870 0.136 0.000 1.106 207 L CA 0.466 55.392 54.840 0.143 0.000 0.856 207 L CB 1.418 43.595 42.059 0.198 0.000 1.186 207 L HN 0.662 nan 8.230 nan 0.000 0.453 208 V N 2.341 122.328 119.914 0.122 0.000 3.528 208 V HA 0.796 4.896 4.120 -0.032 0.000 0.294 208 V C 0.639 176.783 176.094 0.083 0.000 1.404 208 V CA 0.546 62.919 62.300 0.121 0.000 1.065 208 V CB -0.290 31.646 31.823 0.188 0.000 0.904 208 V HN 0.864 nan 8.190 nan 0.000 0.435 209 G N -0.148 108.692 108.800 0.066 0.000 2.356 209 G HA2 0.547 4.488 3.960 -0.032 0.000 0.294 209 G HA3 0.547 4.488 3.960 -0.032 0.000 0.294 209 G C -1.994 172.929 174.900 0.038 0.000 1.423 209 G CA -0.859 44.264 45.100 0.039 0.000 0.806 209 G HN 0.217 nan 8.290 nan 0.000 0.527 210 L N 0.792 122.036 121.223 0.035 0.000 2.362 210 L HA 0.615 4.936 4.340 -0.032 0.000 0.271 210 L C -0.451 176.465 176.870 0.077 0.000 1.002 210 L CA -1.081 53.787 54.840 0.047 0.000 0.818 210 L CB 2.433 44.505 42.059 0.020 0.000 1.298 210 L HN 0.730 nan 8.230 nan 0.000 0.420 211 H N 1.623 120.693 119.070 0.000 0.000 2.600 211 H HA 0.576 5.112 4.556 -0.032 0.000 0.357 211 H C -1.782 173.560 175.328 0.023 0.000 1.106 211 H CA -0.202 55.855 56.048 0.014 0.000 1.193 211 H CB 2.350 32.137 29.762 0.041 0.000 1.594 211 H HN 0.557 nan 8.280 nan 0.000 0.526 212 S N 2.876 118.208 115.700 -0.614 0.000 2.540 212 S HA 0.312 4.763 4.470 -0.032 0.000 0.275 212 S C -1.863 172.423 174.600 -0.523 0.000 1.123 212 S CA -0.601 57.341 58.200 -0.430 0.000 0.907 212 S CB 1.114 64.199 63.200 -0.192 0.000 1.081 212 S HN 0.829 nan 8.310 nan 0.000 0.476 213 H N 3.276 122.116 119.070 -0.383 0.000 2.658 213 H HA 0.586 5.122 4.556 -0.032 0.000 0.337 213 H C 0.513 175.711 175.328 -0.216 0.000 1.009 213 H CA -0.550 55.337 56.048 -0.269 0.000 1.231 213 H CB 0.957 30.593 29.762 -0.211 0.000 1.508 213 H HN 0.616 nan 8.280 nan 0.000 0.517 214 I N 1.553 121.713 120.570 -0.683 0.000 4.154 214 I HA 0.679 4.830 4.170 -0.032 0.000 0.334 214 I C 0.608 176.364 176.117 -0.601 0.000 1.371 214 I CA 0.333 61.313 61.300 -0.532 0.000 1.110 214 I CB 0.708 38.391 38.000 -0.529 0.000 1.085 214 I HN 0.690 nan 8.210 nan 0.000 0.398 215 G N 0.646 108.981 108.800 -0.775 0.000 2.455 215 G HA2 0.355 4.296 3.960 -0.032 0.000 0.223 215 G HA3 0.355 4.296 3.960 -0.032 0.000 0.223 215 G C -1.457 173.165 174.900 -0.464 0.000 1.226 215 G CA 0.189 44.898 45.100 -0.650 0.000 0.948 215 G HN 0.181 nan 8.290 nan 0.000 0.478 216 S N -0.879 114.555 115.700 -0.442 0.000 2.535 216 S HA 0.509 4.959 4.470 -0.032 0.000 0.272 216 S C -0.582 173.943 174.600 -0.125 0.000 1.149 216 S CA 0.202 58.328 58.200 -0.123 0.000 0.888 216 S CB 1.454 64.685 63.200 0.051 0.000 1.110 216 S HN 1.085 nan 8.310 nan 0.000 0.463 217 Q N 1.362 121.105 119.800 -0.096 0.000 2.451 217 Q HA -0.180 4.141 4.340 -0.032 0.000 0.305 217 Q C -0.649 175.023 176.000 -0.547 0.000 1.345 217 Q CA 0.836 56.498 55.803 -0.236 0.000 0.854 217 Q CB -1.663 26.940 28.738 -0.225 0.000 1.162 217 Q HN 0.684 nan 8.270 nan 0.000 0.440 218 I N 0.495 120.894 120.570 -0.286 0.000 2.396 218 I HA 0.050 4.200 4.170 -0.032 0.000 0.289 218 I C 1.132 177.251 176.117 0.004 0.000 1.056 218 I CA -0.161 60.991 61.300 -0.247 0.000 1.365 218 I CB 0.254 38.150 38.000 -0.174 0.000 1.407 218 I HN -0.041 nan 8.210 nan 0.000 0.509 219 F N 2.323 122.201 119.950 -0.120 0.000 2.717 219 F HA 0.210 4.717 4.527 -0.033 0.000 0.295 219 F C 0.744 176.529 175.800 -0.024 0.000 1.117 219 F CA -0.251 57.645 58.000 -0.174 0.000 1.361 219 F CB -0.297 38.324 39.000 -0.631 0.000 1.112 219 F HN 0.335 nan 8.300 nan 0.000 0.594 220 D N -1.026 119.503 120.400 0.215 0.000 2.374 220 D HA 0.217 4.837 4.640 -0.032 0.000 0.239 220 D C 0.838 177.290 176.300 0.255 0.000 0.991 220 D CA -0.334 53.816 54.000 0.250 0.000 0.960 220 D CB 2.908 43.872 40.800 0.274 0.000 1.284 220 D HN -0.216 nan 8.370 nan 0.000 0.512 221 V N 0.887 120.941 119.914 0.233 0.000 3.406 221 V HA -0.101 3.999 4.120 -0.032 0.000 0.263 221 V C 1.058 177.263 176.094 0.185 0.000 1.172 221 V CA 1.089 63.544 62.300 0.259 0.000 1.140 221 V CB -0.147 31.765 31.823 0.149 0.000 0.784 221 V HN 0.389 nan 8.190 nan 0.000 0.467 222 D N 0.765 121.251 120.400 0.143 0.000 2.117 222 D HA -0.131 4.489 4.640 -0.032 0.000 0.197 222 D C 2.068 178.178 176.300 -0.317 0.000 0.987 222 D CA 1.590 55.643 54.000 0.089 0.000 0.829 222 D CB -0.345 40.665 40.800 0.350 0.000 0.961 222 D HN 0.538 nan 8.370 nan 0.000 0.460 223 G N 0.554 109.066 108.800 -0.481 0.000 2.421 223 G HA2 -0.253 3.687 3.960 -0.032 0.000 0.216 223 G HA3 -0.253 3.687 3.960 -0.032 0.000 0.216 223 G C 1.410 175.934 174.900 -0.626 0.000 1.171 223 G CA 0.231 44.731 45.100 -1.001 0.000 0.775 223 G HN 0.153 nan 8.290 nan 0.000 0.543 224 F N 0.966 120.745 119.950 -0.286 0.000 2.216 224 F HA 0.031 4.538 4.527 -0.032 0.000 0.300 224 F C 2.516 178.215 175.800 -0.167 0.000 1.085 224 F CA 1.383 59.265 58.000 -0.197 0.000 1.326 224 F CB -0.194 38.738 39.000 -0.115 0.000 1.027 224 F HN 0.275 nan 8.300 nan 0.000 0.497 225 E N 0.287 120.496 120.200 0.015 0.000 2.047 225 E HA -0.216 4.114 4.350 -0.032 0.000 0.191 225 E C 2.218 178.791 176.600 -0.045 0.000 0.987 225 E CA 0.964 57.362 56.400 -0.003 0.000 0.799 225 E CB -0.261 29.434 29.700 -0.008 0.000 0.752 225 E HN 0.296 nan 8.360 nan 0.000 0.449 226 L N 0.877 121.991 121.223 -0.182 0.000 2.046 226 L HA -0.081 4.240 4.340 -0.032 0.000 0.208 226 L C 2.255 179.073 176.870 -0.086 0.000 1.077 226 L CA 2.197 56.941 54.840 -0.160 0.000 0.747 226 L CB -0.720 41.140 42.059 -0.332 0.000 0.896 226 L HN 0.190 nan 8.230 nan 0.000 0.432 227 A N -0.382 122.340 122.820 -0.162 0.000 1.883 227 A HA -0.140 4.161 4.320 -0.032 0.000 0.217 227 A C 2.451 180.017 177.584 -0.029 0.000 1.186 227 A CA 1.961 53.934 52.037 -0.107 0.000 0.624 227 A CB -1.279 17.625 19.000 -0.161 0.000 0.822 227 A HN 0.578 nan 8.150 nan 0.000 0.444 228 A N -1.158 121.668 122.820 0.010 0.000 1.972 228 A HA -0.165 4.136 4.320 -0.032 0.000 0.219 228 A C 1.975 179.585 177.584 0.043 0.000 1.169 228 A CA 2.098 54.152 52.037 0.028 0.000 0.635 228 A CB -0.828 18.198 19.000 0.044 0.000 0.810 228 A HN 0.808 nan 8.150 nan 0.000 0.446 229 H N -0.634 118.417 119.070 -0.032 0.000 2.357 229 H HA -0.021 4.516 4.556 -0.032 0.000 0.301 229 H C 2.227 177.542 175.328 -0.021 0.000 1.082 229 H CA 1.988 58.022 56.048 -0.023 0.000 1.342 229 H CB -0.035 29.712 29.762 -0.025 0.000 1.389 229 H HN 0.397 nan 8.280 nan 0.000 0.511 230 R N -0.604 119.885 120.500 -0.019 0.000 2.073 230 R HA -0.031 4.290 4.340 -0.032 0.000 0.229 230 R C 2.489 178.742 176.300 -0.078 0.000 1.120 230 R CA 1.087 57.149 56.100 -0.064 0.000 0.967 230 R CB -0.188 30.109 30.300 -0.005 0.000 0.862 230 R HN 0.180 nan 8.270 nan 0.000 0.436 231 V N 0.887 120.768 119.914 -0.055 0.000 2.295 231 V HA -0.244 3.857 4.120 -0.032 0.000 0.246 231 V C 2.058 178.122 176.094 -0.051 0.000 1.049 231 V CA 1.828 64.101 62.300 -0.045 0.000 1.024 231 V CB -0.325 31.477 31.823 -0.035 0.000 0.648 231 V HN 0.288 nan 8.190 nan 0.000 0.447 232 I N 0.503 121.032 120.570 -0.068 0.000 2.546 232 I HA -0.092 4.058 4.170 -0.032 0.000 0.255 232 I C 2.484 178.545 176.117 -0.094 0.000 1.163 232 I CA 1.222 62.484 61.300 -0.065 0.000 1.457 232 I CB -0.746 37.222 38.000 -0.052 0.000 1.092 232 I HN 0.380 nan 8.210 nan 0.000 0.434 233 G N 1.222 109.926 108.800 -0.161 0.000 2.446 233 G HA2 -0.233 3.708 3.960 -0.032 0.000 0.217 233 G HA3 -0.233 3.708 3.960 -0.032 0.000 0.217 233 G C 1.649 176.509 174.900 -0.067 0.000 1.168 233 G CA 0.314 45.322 45.100 -0.153 0.000 0.771 233 G HN 0.259 nan 8.290 nan 0.000 0.551 234 L N 0.235 121.430 121.223 -0.048 0.000 2.013 234 L HA -0.035 4.286 4.340 -0.032 0.000 0.212 234 L C 2.790 179.667 176.870 0.011 0.000 1.073 234 L CA 1.556 56.389 54.840 -0.012 0.000 0.753 234 L CB -0.598 41.455 42.059 -0.011 0.000 0.890 234 L HN 0.259 nan 8.230 nan 0.000 0.432 235 L N -0.063 121.163 121.223 0.005 0.000 2.013 235 L HA -0.316 4.005 4.340 -0.032 0.000 0.212 235 L C 2.932 179.829 176.870 0.045 0.000 1.073 235 L CA 1.838 56.697 54.840 0.032 0.000 0.753 235 L CB -0.419 41.652 42.059 0.021 0.000 0.890 235 L HN 0.387 nan 8.230 nan 0.000 0.432 236 R N -0.041 120.469 120.500 0.016 0.000 2.096 236 R HA -0.238 4.083 4.340 -0.032 0.000 0.240 236 R C 1.812 178.133 176.300 0.034 0.000 1.139 236 R CA 2.284 58.395 56.100 0.018 0.000 0.952 236 R CB -0.431 29.862 30.300 -0.012 0.000 0.854 236 R HN 0.416 nan 8.270 nan 0.000 0.436 237 D N 0.131 120.548 120.400 0.030 0.000 2.092 237 D HA -0.149 4.472 4.640 -0.032 0.000 0.193 237 D C 2.045 178.402 176.300 0.095 0.000 0.994 237 D CA 1.555 55.580 54.000 0.042 0.000 0.828 237 D CB -0.370 40.450 40.800 0.033 0.000 0.963 237 D HN 0.132 nan 8.370 nan 0.000 0.450 238 V N 1.387 121.390 119.914 0.148 0.000 2.214 238 V HA -0.237 3.863 4.120 -0.032 0.000 0.245 238 V C 2.778 179.083 176.094 0.351 0.000 1.047 238 V CA 2.124 64.606 62.300 0.304 0.000 0.998 238 V CB -0.931 31.038 31.823 0.243 0.000 0.633 238 V HN 0.200 nan 8.190 nan 0.000 0.446 239 V N 0.318 120.370 119.914 0.230 0.000 2.688 239 V HA -0.089 4.011 4.120 -0.032 0.000 0.256 239 V C 2.231 178.398 176.094 0.122 0.000 1.084 239 V CA 2.269 64.680 62.300 0.185 0.000 1.103 239 V CB -1.410 30.482 31.823 0.115 0.000 0.688 239 V HN 0.466 nan 8.190 nan 0.000 0.480 240 G N -0.283 108.569 108.800 0.086 0.000 2.421 240 G HA2 -0.268 3.672 3.960 -0.032 0.000 0.216 240 G HA3 -0.268 3.672 3.960 -0.032 0.000 0.216 240 G C 1.533 176.425 174.900 -0.013 0.000 1.171 240 G CA 0.910 46.029 45.100 0.031 0.000 0.775 240 G HN 0.626 nan 8.290 nan 0.000 0.543 241 E N -0.902 119.269 120.200 -0.047 0.000 2.158 241 E HA 0.064 4.394 4.350 -0.032 0.000 0.191 241 E C 1.549 177.879 176.600 -0.449 0.000 0.982 241 E CA 0.367 56.587 56.400 -0.299 0.000 0.823 241 E CB -0.003 29.406 29.700 -0.484 0.000 0.766 241 E HN 0.532 nan 8.360 nan 0.000 0.468 242 F N -0.379 119.622 119.950 0.085 0.000 2.724 242 F HA 0.325 4.833 4.527 -0.032 0.000 0.306 242 F C 0.736 176.541 175.800 0.009 0.000 1.100 242 F CA 0.319 58.361 58.000 0.069 0.000 1.255 242 F CB 1.450 40.546 39.000 0.160 0.000 1.072 242 F HN 0.025 nan 8.300 nan 0.000 0.589 243 G N 1.465 110.347 108.800 0.138 0.000 2.767 243 G HA2 -0.165 3.776 3.960 -0.032 0.000 0.686 243 G HA3 -0.165 3.776 3.960 -0.032 0.000 0.686 243 G C -2.866 172.075 174.900 0.069 0.000 1.213 243 G CA -1.417 43.727 45.100 0.074 0.000 0.803 243 G HN -0.073 nan 8.290 nan 0.000 0.603 244 P HA 0.246 nan 4.420 nan 0.000 0.258 244 P C 0.441 177.746 177.300 0.009 0.000 1.563 244 P CA 0.807 63.925 63.100 0.030 0.000 1.241 244 P CB 0.583 32.297 31.700 0.025 0.000 1.811 245 E N 1.230 121.424 120.200 -0.009 0.000 2.241 245 E HA -0.039 4.292 4.350 -0.032 0.000 0.264 245 E C 1.195 177.743 176.600 -0.085 0.000 1.091 245 E CA 0.261 56.641 56.400 -0.034 0.000 1.872 245 E CB -0.514 29.173 29.700 -0.023 0.000 3.264 245 E HN 0.047 nan 8.360 nan 0.000 1.030 246 K N 1.450 121.769 120.400 -0.134 0.000 2.439 246 K HA 0.013 4.314 4.320 -0.032 0.000 0.197 246 K C 1.535 177.905 176.600 -0.384 0.000 1.041 246 K CA 1.958 58.048 56.287 -0.328 0.000 0.970 246 K CB -0.071 32.160 32.500 -0.447 0.000 0.773 246 K HN 0.238 nan 8.250 nan 0.000 0.479 247 T N -4.520 109.946 114.554 -0.147 0.000 3.003 247 T HA 0.349 4.680 4.350 -0.032 0.000 0.261 247 T C 1.742 176.453 174.700 0.017 0.000 1.003 247 T CA 0.142 62.231 62.100 -0.017 0.000 0.917 247 T CB 0.284 69.214 68.868 0.102 0.000 1.084 247 T HN 0.056 nan 8.240 nan 0.000 0.522 248 A N 2.679 125.494 122.820 -0.009 0.000 1.997 248 A HA -0.234 4.067 4.320 -0.032 0.000 0.221 248 A C 2.300 179.894 177.584 0.017 0.000 1.172 248 A CA 1.994 54.034 52.037 0.006 0.000 0.645 248 A CB -0.783 18.214 19.000 -0.006 0.000 0.813 248 A HN 0.806 nan 8.150 nan 0.000 0.454 249 Q N -0.271 119.537 119.800 0.013 0.000 2.378 249 Q HA 0.205 4.526 4.340 -0.032 0.000 0.205 249 Q C 0.412 176.447 176.000 0.058 0.000 0.954 249 Q CA 0.475 56.295 55.803 0.030 0.000 0.901 249 Q CB -0.400 28.347 28.738 0.015 0.000 0.981 249 Q HN 0.656 nan 8.270 nan 0.000 0.483 250 I N 1.912 122.525 120.570 0.071 0.000 2.352 250 I HA 0.121 4.272 4.170 -0.032 0.000 0.303 250 I C 0.538 176.690 176.117 0.058 0.000 1.194 250 I CA -0.270 61.078 61.300 0.081 0.000 1.518 250 I CB 0.227 38.291 38.000 0.106 0.000 1.489 250 I HN 0.220 nan 8.210 nan 0.000 0.702 251 A N 3.588 126.439 122.820 0.052 0.000 2.303 251 A HA 0.221 4.522 4.320 -0.032 0.000 0.217 251 A C 0.885 178.486 177.584 0.029 0.000 1.205 251 A CA 0.345 52.406 52.037 0.040 0.000 0.875 251 A CB 0.227 19.254 19.000 0.044 0.000 0.910 251 A HN 0.484 nan 8.150 nan 0.000 0.501 252 T N 0.073 114.640 114.554 0.022 0.000 2.848 252 T HA 0.510 4.841 4.350 -0.032 0.000 0.285 252 T C -1.040 173.657 174.700 -0.006 0.000 0.995 252 T CA -0.274 61.826 62.100 -0.001 0.000 0.970 252 T CB 1.853 70.705 68.868 -0.026 0.000 0.976 252 T HN -0.111 nan 8.240 nan 0.000 0.441 253 V N 3.613 123.516 119.914 -0.018 0.000 2.350 253 V HA 0.360 4.461 4.120 -0.032 0.000 0.285 253 V C -0.489 175.572 176.094 -0.055 0.000 1.014 253 V CA -0.767 61.519 62.300 -0.024 0.000 0.831 253 V CB 1.410 33.223 31.823 -0.017 0.000 1.000 253 V HN 0.823 nan 8.190 nan 0.000 0.433 254 D N 4.740 125.109 120.400 -0.053 0.000 2.329 254 D HA 0.331 4.952 4.640 -0.032 0.000 0.232 254 D C 0.452 176.675 176.300 -0.129 0.000 1.088 254 D CA -0.239 53.712 54.000 -0.081 0.000 0.835 254 D CB 1.669 42.487 40.800 0.029 0.000 1.078 254 D HN 0.423 nan 8.370 nan 0.000 0.495 255 L N 3.362 124.503 121.223 -0.136 0.000 2.653 255 L HA 0.324 4.645 4.340 -0.032 0.000 0.231 255 L C 1.487 178.328 176.870 -0.049 0.000 1.153 255 L CA 0.039 54.828 54.840 -0.085 0.000 0.933 255 L CB -0.551 41.502 42.059 -0.009 0.000 1.175 255 L HN 0.698 nan 8.230 nan 0.000 0.473 256 G N 0.106 108.850 108.800 -0.093 0.000 2.593 256 G HA2 -0.177 3.764 3.960 -0.032 0.000 0.237 256 G HA3 -0.177 3.764 3.960 -0.032 0.000 0.237 256 G C 0.150 175.124 174.900 0.124 0.000 1.312 256 G CA -0.434 44.709 45.100 0.071 0.000 0.896 256 G HN 0.418 nan 8.290 nan 0.000 0.574 257 G N -2.843 106.150 108.800 0.322 0.000 3.008 257 G HA2 0.717 4.657 3.960 -0.032 0.000 0.181 257 G HA3 0.717 4.657 3.960 -0.032 0.000 0.181 257 G C 1.418 176.406 174.900 0.148 0.000 1.309 257 G CA 1.128 46.355 45.100 0.211 0.000 1.009 257 G HN 2.634 nan 8.290 nan 0.000 0.584 258 G N -1.626 107.267 108.800 0.155 0.000 2.157 258 G HA2 -0.204 3.736 3.960 -0.032 0.000 0.239 258 G HA3 -0.204 3.736 3.960 -0.032 0.000 0.239 258 G C 0.433 175.390 174.900 0.095 0.000 0.982 258 G CA 0.169 45.296 45.100 0.045 0.000 0.650 258 G HN 0.675 nan 8.290 nan 0.000 0.527 259 L N 1.196 122.514 121.223 0.158 0.000 2.578 259 L HA 0.396 4.716 4.340 -0.032 0.000 0.279 259 L C 1.497 178.461 176.870 0.157 0.000 1.227 259 L CA 0.639 55.582 54.840 0.172 0.000 0.900 259 L CB 0.179 42.325 42.059 0.145 0.000 1.144 259 L HN 0.268 nan 8.230 nan 0.000 0.496 260 G N 3.870 112.800 108.800 0.217 0.000 2.425 260 G HA2 0.632 4.572 3.960 -0.032 0.000 0.302 260 G HA3 0.632 4.572 3.960 -0.032 0.000 0.302 260 G C -0.505 174.572 174.900 0.295 0.000 1.159 260 G CA -0.613 44.674 45.100 0.310 0.000 0.865 260 G HN 0.697 nan 8.290 nan 0.000 0.515 261 I N -2.105 118.610 120.570 0.241 0.000 3.206 261 I HA 0.700 4.851 4.170 -0.032 0.000 0.313 261 I C -0.294 175.832 176.117 0.016 0.000 1.103 261 I CA -1.102 60.216 61.300 0.030 0.000 0.985 261 I CB 2.370 40.283 38.000 -0.145 0.000 1.240 261 I HN 0.270 nan 8.210 nan 0.000 0.464 262 S N 1.702 117.341 115.700 -0.102 0.000 2.411 262 S HA 0.348 4.799 4.470 -0.032 0.000 0.294 262 S C 0.006 174.516 174.600 -0.150 0.000 1.115 262 S CA -0.409 57.752 58.200 -0.064 0.000 1.071 262 S CB 0.188 63.356 63.200 -0.054 0.000 0.967 262 S HN 0.604 nan 8.310 nan 0.000 0.488 263 Y N 1.961 122.286 120.300 0.040 0.000 2.314 263 Y HA 0.231 4.762 4.550 -0.033 0.000 0.294 263 Y C 0.835 176.743 175.900 0.013 0.000 1.119 263 Y CA 0.496 58.587 58.100 -0.015 0.000 1.179 263 Y CB 0.233 38.630 38.460 -0.104 0.000 1.025 263 Y HN 0.408 nan 8.280 nan 0.000 0.541 264 L N 0.122 121.466 121.223 0.202 0.000 2.334 264 L HA 0.263 4.584 4.340 -0.032 0.000 0.273 264 L C -1.625 175.328 176.870 0.139 0.000 1.013 264 L CA -2.162 52.781 54.840 0.171 0.000 0.816 264 L CB 1.714 43.874 42.059 0.168 0.000 1.278 264 L HN -0.193 nan 8.230 nan 0.000 0.431 265 P HA -0.204 nan 4.420 nan 0.000 0.217 265 P C 1.484 178.844 177.300 0.101 0.000 1.151 265 P CA 1.414 64.600 63.100 0.143 0.000 0.849 265 P CB 0.181 31.990 31.700 0.182 0.000 0.787 266 S N -2.424 113.338 115.700 0.103 0.000 2.481 266 S HA -0.060 4.391 4.470 -0.032 0.000 0.231 266 S C 0.730 175.372 174.600 0.070 0.000 0.996 266 S CA 0.293 58.544 58.200 0.084 0.000 0.942 266 S CB -1.042 62.214 63.200 0.094 0.000 0.768 266 S HN 0.034 nan 8.310 nan 0.000 0.520 267 D N 3.535 123.979 120.400 0.072 0.000 2.455 267 D HA 0.233 4.854 4.640 -0.032 0.000 0.241 267 D C -0.192 175.986 176.300 -0.202 0.000 1.138 267 D CA 0.473 54.476 54.000 0.006 0.000 0.877 267 D CB 0.767 41.630 40.800 0.106 0.000 1.187 267 D HN 0.557 nan 8.370 nan 0.000 0.451 268 D N 0.877 120.980 120.400 -0.495 0.000 2.772 268 D HA 0.150 4.770 4.640 -0.032 0.000 0.326 268 D C -2.713 173.204 176.300 -0.637 0.000 1.207 268 D CA -1.424 52.336 54.000 -0.399 0.000 0.777 268 D CB 0.458 41.192 40.800 -0.110 0.000 1.169 268 D HN 0.070 nan 8.370 nan 0.000 0.506 269 P HA 0.207 nan 4.420 nan 0.000 0.269 269 P C -2.243 174.967 177.300 -0.151 0.000 1.209 269 P CA -0.731 62.081 63.100 -0.478 0.000 0.776 269 P CB 0.430 32.002 31.700 -0.213 0.000 0.876 270 P HA 0.324 nan 4.420 nan 0.000 0.276 270 P C -2.559 174.737 177.300 -0.007 0.000 1.252 270 P CA -1.887 61.212 63.100 -0.001 0.000 0.802 270 P CB -1.057 30.667 31.700 0.039 0.000 1.035 271 P HA 0.054 nan 4.420 nan 0.000 0.265 271 P C 1.117 178.403 177.300 -0.024 0.000 1.193 271 P CA -0.065 63.023 63.100 -0.019 0.000 0.765 271 P CB 0.156 31.841 31.700 -0.025 0.000 0.823 272 I N 4.003 124.562 120.570 -0.019 0.000 2.264 272 I HA -0.284 3.866 4.170 -0.032 0.000 0.248 272 I C 1.975 178.012 176.117 -0.133 0.000 1.111 272 I CA 1.825 63.105 61.300 -0.034 0.000 1.382 272 I CB -0.848 37.167 38.000 0.026 0.000 1.060 272 I HN 0.445 nan 8.210 nan 0.000 0.418 273 A N -0.445 122.305 122.820 -0.117 0.000 1.940 273 A HA -0.301 4.000 4.320 -0.032 0.000 0.219 273 A C 2.390 179.883 177.584 -0.153 0.000 1.176 273 A CA 2.115 54.060 52.037 -0.153 0.000 0.631 273 A CB -0.788 18.155 19.000 -0.095 0.000 0.814 273 A HN 0.649 nan 8.150 nan 0.000 0.446 274 E N -0.516 119.623 120.200 -0.102 0.000 2.051 274 E HA -0.123 4.208 4.350 -0.032 0.000 0.189 274 E C 2.025 178.573 176.600 -0.088 0.000 0.979 274 E CA 1.010 57.364 56.400 -0.076 0.000 0.803 274 E CB -0.209 29.467 29.700 -0.039 0.000 0.761 274 E HN 0.562 nan 8.360 nan 0.000 0.451 275 L N 0.645 121.817 121.223 -0.084 0.000 2.017 275 L HA -0.100 4.221 4.340 -0.032 0.000 0.208 275 L C 2.475 179.242 176.870 -0.172 0.000 1.073 275 L CA 1.797 56.593 54.840 -0.074 0.000 0.745 275 L CB -0.361 41.687 42.059 -0.018 0.000 0.894 275 L HN 0.207 nan 8.230 nan 0.000 0.432 276 A N -0.109 122.503 122.820 -0.347 0.000 1.908 276 A HA -0.214 4.087 4.320 -0.032 0.000 0.218 276 A C 2.443 179.798 177.584 -0.382 0.000 1.181 276 A CA 1.900 53.533 52.037 -0.672 0.000 0.627 276 A CB -1.135 17.044 19.000 -1.368 0.000 0.818 276 A HN 0.615 nan 8.150 nan 0.000 0.445 277 A N -0.411 122.253 122.820 -0.261 0.000 1.902 277 A HA -0.155 4.145 4.320 -0.032 0.000 0.217 277 A C 2.116 179.640 177.584 -0.100 0.000 1.181 277 A CA 1.807 53.750 52.037 -0.157 0.000 0.623 277 A CB -0.422 18.508 19.000 -0.117 0.000 0.818 277 A HN 0.552 nan 8.150 nan 0.000 0.443 278 K N -0.900 119.449 120.400 -0.084 0.000 2.032 278 K HA -0.126 4.175 4.320 -0.032 0.000 0.209 278 K C 1.806 178.383 176.600 -0.039 0.000 1.048 278 K CA 1.336 57.598 56.287 -0.043 0.000 0.927 278 K CB -0.390 32.099 32.500 -0.018 0.000 0.712 278 K HN 0.296 nan 8.250 nan 0.000 0.441 279 L N 0.687 121.871 121.223 -0.065 0.000 2.081 279 L HA -0.147 4.174 4.340 -0.032 0.000 0.212 279 L C 2.335 179.188 176.870 -0.027 0.000 1.080 279 L CA 1.928 56.735 54.840 -0.055 0.000 0.754 279 L CB -1.313 40.699 42.059 -0.079 0.000 0.893 279 L HN 0.316 nan 8.230 nan 0.000 0.433 280 G N -2.333 106.441 108.800 -0.043 0.000 2.421 280 G HA2 -0.243 3.698 3.960 -0.032 0.000 0.216 280 G HA3 -0.243 3.698 3.960 -0.032 0.000 0.216 280 G C 1.540 176.433 174.900 -0.013 0.000 1.171 280 G CA 1.204 46.290 45.100 -0.023 0.000 0.775 280 G HN 0.386 nan 8.290 nan 0.000 0.543 281 T N 1.286 115.828 114.554 -0.019 0.000 2.777 281 T HA -0.033 4.297 4.350 -0.032 0.000 0.266 281 T C 2.394 177.097 174.700 0.004 0.000 1.040 281 T CA 0.891 62.987 62.100 -0.007 0.000 1.141 281 T CB -0.145 68.716 68.868 -0.010 0.000 0.868 281 T HN 0.226 nan 8.240 nan 0.000 0.444 282 I N 0.782 121.356 120.570 0.006 0.000 2.163 282 I HA -0.179 3.972 4.170 -0.032 0.000 0.243 282 I C 2.426 178.558 176.117 0.024 0.000 1.085 282 I CA 1.071 62.383 61.300 0.020 0.000 1.347 282 I CB -0.357 37.657 38.000 0.024 0.000 1.044 282 I HN 0.091 nan 8.210 nan 0.000 0.408 283 V N 0.514 120.438 119.914 0.016 0.000 2.427 283 V HA -0.238 3.862 4.120 -0.032 0.000 0.248 283 V C 2.591 178.696 176.094 0.018 0.000 1.051 283 V CA 2.050 64.361 62.300 0.017 0.000 1.048 283 V CB -0.685 31.145 31.823 0.012 0.000 0.666 283 V HN 0.614 nan 8.190 nan 0.000 0.456 284 S N -0.033 115.676 115.700 0.015 0.000 2.368 284 S HA -0.230 4.220 4.470 -0.032 0.000 0.224 284 S C 1.690 176.301 174.600 0.019 0.000 1.029 284 S CA 1.538 59.747 58.200 0.015 0.000 0.988 284 S CB -0.540 62.666 63.200 0.010 0.000 0.838 284 S HN 0.537 nan 8.310 nan 0.000 0.462 285 D N 1.720 122.132 120.400 0.021 0.000 2.104 285 D HA -0.070 4.551 4.640 -0.032 0.000 0.194 285 D C 2.238 178.562 176.300 0.040 0.000 0.994 285 D CA 1.367 55.383 54.000 0.028 0.000 0.830 285 D CB -0.359 40.457 40.800 0.027 0.000 0.959 285 D HN 0.444 nan 8.370 nan 0.000 0.452 286 E N 0.584 120.814 120.200 0.050 0.000 2.077 286 E HA -0.117 4.214 4.350 -0.032 0.000 0.193 286 E C 2.246 178.867 176.600 0.035 0.000 0.989 286 E CA 1.066 57.506 56.400 0.066 0.000 0.800 286 E CB -0.380 29.365 29.700 0.075 0.000 0.746 286 E HN 0.332 nan 8.360 nan 0.000 0.452 287 S N 0.527 116.241 115.700 0.023 0.000 2.368 287 S HA -0.146 4.305 4.470 -0.032 0.000 0.224 287 S C 2.240 176.851 174.600 0.018 0.000 1.029 287 S CA 1.763 59.972 58.200 0.015 0.000 0.988 287 S CB -0.792 62.416 63.200 0.015 0.000 0.838 287 S HN 0.362 nan 8.310 nan 0.000 0.462 288 T N 1.798 116.365 114.554 0.021 0.000 2.788 288 T HA 0.030 4.361 4.350 -0.032 0.000 0.268 288 T C 1.887 176.601 174.700 0.023 0.000 1.044 288 T CA 1.441 63.553 62.100 0.020 0.000 1.139 288 T CB -0.793 68.085 68.868 0.017 0.000 0.867 288 T HN 0.509 nan 8.240 nan 0.000 0.454 289 A N 0.758 123.596 122.820 0.030 0.000 2.070 289 A HA 0.111 4.412 4.320 -0.032 0.000 0.220 289 A C 2.197 179.799 177.584 0.030 0.000 1.159 289 A CA 1.637 53.695 52.037 0.036 0.000 0.656 289 A CB -0.583 18.451 19.000 0.057 0.000 0.800 289 A HN 1.028 nan 8.150 nan 0.000 0.453 290 V N -4.713 115.213 119.914 0.020 0.000 3.214 290 V HA 0.590 4.691 4.120 -0.032 0.000 0.330 290 V C 1.020 177.121 176.094 0.012 0.000 1.403 290 V CA 0.270 62.576 62.300 0.011 0.000 1.143 290 V CB -0.808 31.010 31.823 -0.007 0.000 1.098 290 V HN 1.363 nan 8.190 nan 0.000 0.463 291 G N 0.952 109.761 108.800 0.015 0.000 2.221 291 G HA2 -0.196 3.745 3.960 -0.032 0.000 0.265 291 G HA3 -0.196 3.745 3.960 -0.032 0.000 0.265 291 G C -0.476 174.433 174.900 0.016 0.000 1.041 291 G CA 0.612 45.721 45.100 0.015 0.000 0.807 291 G HN 0.495 nan 8.290 nan 0.000 0.502 292 L N 0.045 121.278 121.223 0.017 0.000 2.330 292 L HA 0.734 5.054 4.340 -0.032 0.000 0.271 292 L C -1.899 174.982 176.870 0.018 0.000 1.013 292 L CA -2.628 52.223 54.840 0.019 0.000 0.816 292 L CB 1.484 43.555 42.059 0.019 0.000 1.287 292 L HN -0.110 nan 8.230 nan 0.000 0.435 293 P HA 0.134 nan 4.420 nan 0.000 0.271 293 P C -0.646 176.665 177.300 0.018 0.000 1.218 293 P CA -0.408 62.702 63.100 0.018 0.000 0.780 293 P CB 0.262 31.974 31.700 0.019 0.000 0.901 294 T N 2.398 116.962 114.554 0.017 0.000 2.817 294 T HA 0.257 4.588 4.350 -0.032 0.000 0.295 294 T C -1.880 172.831 174.700 0.018 0.000 0.958 294 T CA -1.250 60.860 62.100 0.017 0.000 1.157 294 T CB -0.569 68.308 68.868 0.015 0.000 0.898 294 T HN 0.226 nan 8.240 nan 0.000 0.536 295 P HA 0.281 nan 4.420 nan 0.000 0.276 295 P C -0.415 176.896 177.300 0.017 0.000 1.244 295 P CA -0.789 62.322 63.100 0.018 0.000 0.801 295 P CB 0.664 32.373 31.700 0.015 0.000 1.006 296 K N 1.291 121.702 120.400 0.018 0.000 2.489 296 K HA 0.121 4.421 4.320 -0.032 0.000 0.278 296 K C -0.242 176.359 176.600 0.002 0.000 1.000 296 K CA -0.165 56.133 56.287 0.018 0.000 1.012 296 K CB -0.029 32.484 32.500 0.021 0.000 0.903 296 K HN 0.422 nan 8.250 nan 0.000 0.485 297 L N 5.808 127.038 121.223 0.011 0.000 2.282 297 L HA 0.415 4.735 4.340 -0.032 0.000 0.288 297 L C -1.202 175.627 176.870 -0.070 0.000 1.033 297 L CA -0.802 54.032 54.840 -0.011 0.000 0.807 297 L CB 1.399 43.490 42.059 0.053 0.000 1.209 297 L HN 0.469 nan 8.230 nan 0.000 0.423 298 V N 5.303 125.112 119.914 -0.174 0.000 2.823 298 V HA 0.586 4.687 4.120 -0.032 0.000 0.312 298 V C -0.538 175.309 176.094 -0.413 0.000 1.072 298 V CA -0.557 61.546 62.300 -0.328 0.000 0.937 298 V CB 2.575 34.168 31.823 -0.383 0.000 1.013 298 V HN 0.522 nan 8.190 nan 0.000 0.430 299 V N 2.917 122.498 119.914 -0.556 0.000 2.925 299 V HA 0.506 4.607 4.120 -0.032 0.000 0.311 299 V C -0.670 175.217 176.094 -0.345 0.000 1.104 299 V CA -0.470 61.516 62.300 -0.523 0.000 0.954 299 V CB 2.473 33.684 31.823 -1.020 0.000 1.022 299 V HN 1.010 nan 8.190 nan 0.000 0.427 300 E N 4.847 124.946 120.200 -0.168 0.000 3.588 300 E HA 0.272 4.602 4.350 -0.032 0.000 0.213 300 E C -2.649 173.941 176.600 -0.017 0.000 1.168 300 E CA -1.467 54.902 56.400 -0.051 0.000 1.254 300 E CB 1.045 30.736 29.700 -0.016 0.000 1.302 300 E HN 0.460 nan 8.360 nan 0.000 0.429 301 P HA 0.056 nan 4.420 nan 0.000 0.276 301 P C 0.302 177.638 177.300 0.060 0.000 1.230 301 P CA 0.143 63.274 63.100 0.051 0.000 0.776 301 P CB 2.049 33.788 31.700 0.064 0.000 0.888 302 G N 3.230 112.060 108.800 0.049 0.000 2.764 302 G HA2 -0.039 3.902 3.960 -0.032 0.000 0.218 302 G HA3 -0.039 3.902 3.960 -0.032 0.000 0.218 302 G C 1.522 176.503 174.900 0.135 0.000 1.304 302 G CA -0.035 45.065 45.100 -0.000 0.000 0.847 302 G HN 0.401 nan 8.290 nan 0.000 0.610 303 R N 0.433 121.033 120.500 0.166 0.000 2.134 303 R HA -0.158 4.163 4.340 -0.032 0.000 0.248 303 R C 2.660 179.015 176.300 0.092 0.000 1.143 303 R CA 1.818 58.022 56.100 0.173 0.000 0.957 303 R CB -0.370 30.073 30.300 0.240 0.000 0.867 303 R HN 0.321 nan 8.270 nan 0.000 0.441 304 A N 0.085 122.956 122.820 0.086 0.000 2.172 304 A HA -0.055 4.245 4.320 -0.032 0.000 0.216 304 A C 1.797 179.373 177.584 -0.013 0.000 1.154 304 A CA 0.834 52.897 52.037 0.044 0.000 0.701 304 A CB -0.104 18.939 19.000 0.072 0.000 0.789 304 A HN 0.237 nan 8.150 nan 0.000 0.465 305 I N -1.444 119.107 120.570 -0.032 0.000 2.685 305 I HA 0.058 4.209 4.170 -0.032 0.000 0.251 305 I C 2.642 178.518 176.117 -0.401 0.000 1.102 305 I CA 1.389 62.530 61.300 -0.266 0.000 1.442 305 I CB -1.353 36.471 38.000 -0.294 0.000 1.194 305 I HN 0.287 nan 8.210 nan 0.000 0.448 306 A N 0.734 123.492 122.820 -0.103 0.000 1.984 306 A HA 0.215 4.516 4.320 -0.032 0.000 0.214 306 A C 2.298 179.966 177.584 0.140 0.000 1.173 306 A CA 1.078 53.192 52.037 0.128 0.000 0.673 306 A CB -0.977 18.254 19.000 0.385 0.000 0.830 306 A HN 0.374 nan 8.150 nan 0.000 0.453 307 G N 0.891 109.738 108.800 0.079 0.000 2.511 307 G HA2 -0.143 3.798 3.960 -0.032 0.000 0.216 307 G HA3 -0.143 3.798 3.960 -0.032 0.000 0.216 307 G C -0.394 174.521 174.900 0.024 0.000 1.218 307 G CA 1.410 46.549 45.100 0.065 0.000 0.788 307 G HN 0.488 nan 8.290 nan 0.000 0.560 308 P HA 0.083 nan 4.420 nan 0.000 0.222 308 P C 1.801 179.102 177.300 0.002 0.000 1.153 308 P CA 1.397 64.465 63.100 -0.052 0.000 0.798 308 P CB -0.224 31.440 31.700 -0.060 0.000 0.796 309 G N -1.138 107.702 108.800 0.068 0.000 2.813 309 G HA2 -0.016 3.925 3.960 -0.032 0.000 0.209 309 G HA3 -0.016 3.925 3.960 -0.032 0.000 0.209 309 G C 0.375 175.347 174.900 0.121 0.000 1.150 309 G CA 0.558 45.727 45.100 0.115 0.000 0.785 309 G HN 0.387 nan 8.290 nan 0.000 0.535 310 T N -0.610 114.003 114.554 0.097 0.000 2.887 310 T HA 0.632 4.963 4.350 -0.032 0.000 0.288 310 T C -0.640 174.090 174.700 0.051 0.000 1.021 310 T CA -0.891 61.263 62.100 0.090 0.000 1.000 310 T CB 1.905 70.827 68.868 0.090 0.000 1.034 310 T HN 0.391 nan 8.240 nan 0.000 0.467 311 I N 0.112 120.703 120.570 0.036 0.000 2.892 311 I HA 0.774 4.925 4.170 -0.032 0.000 0.306 311 I C -0.512 175.523 176.117 -0.137 0.000 1.078 311 I CA -0.786 60.491 61.300 -0.038 0.000 1.032 311 I CB 2.192 40.208 38.000 0.026 0.000 1.229 311 I HN 0.533 nan 8.210 nan 0.000 0.435 312 T N 5.038 119.418 114.554 -0.290 0.000 2.772 312 T HA 0.561 4.892 4.350 -0.032 0.000 0.288 312 T C -0.669 173.693 174.700 -0.563 0.000 0.994 312 T CA -0.192 61.529 62.100 -0.631 0.000 0.951 312 T CB 0.893 69.217 68.868 -0.906 0.000 0.933 312 T HN 0.580 nan 8.240 nan 0.000 0.447 313 L N 4.887 125.816 121.223 -0.491 0.000 2.292 313 L HA 0.602 4.923 4.340 -0.032 0.000 0.284 313 L C -1.519 175.130 176.870 -0.370 0.000 1.065 313 L CA -0.386 54.288 54.840 -0.276 0.000 0.806 313 L CB 0.048 42.043 42.059 -0.108 0.000 1.175 313 L HN 0.552 nan 8.230 nan 0.000 0.431 314 Y N 2.215 122.507 120.300 -0.012 0.000 2.576 314 Y HA 0.481 5.013 4.550 -0.030 0.000 0.346 314 Y C -0.295 175.612 175.900 0.011 0.000 1.018 314 Y CA -0.886 57.208 58.100 -0.010 0.000 1.050 314 Y CB 1.599 40.051 38.460 -0.013 0.000 1.280 314 Y HN 0.552 nan 8.280 nan 0.000 0.474 315 E N 1.217 121.541 120.200 0.206 0.000 2.175 315 E HA 0.514 4.845 4.350 -0.032 0.000 0.278 315 E C -1.330 175.322 176.600 0.087 0.000 0.969 315 E CA -0.675 55.797 56.400 0.119 0.000 0.796 315 E CB 1.260 31.009 29.700 0.081 0.000 1.104 315 E HN 0.463 nan 8.360 nan 0.000 0.395 316 V N 4.177 124.129 119.914 0.062 0.000 2.521 316 V HA 0.161 4.262 4.120 -0.032 0.000 0.286 316 V C 1.046 177.154 176.094 0.023 0.000 1.034 316 V CA 0.881 63.200 62.300 0.031 0.000 1.045 316 V CB 1.203 33.045 31.823 0.033 0.000 0.974 316 V HN 0.955 nan 8.190 nan 0.000 0.480 317 G N 3.579 112.384 108.800 0.010 0.000 2.780 317 G HA2 0.228 4.168 3.960 -0.032 0.000 0.198 317 G HA3 0.228 4.168 3.960 -0.032 0.000 0.198 317 G C 0.411 175.314 174.900 0.004 0.000 1.067 317 G CA 0.280 45.384 45.100 0.007 0.000 0.765 317 G HN 0.616 nan 8.290 nan 0.000 0.581 318 T N 0.194 114.751 114.554 0.004 0.000 2.912 318 T HA 0.579 4.909 4.350 -0.032 0.000 0.299 318 T C -1.362 173.350 174.700 0.020 0.000 1.052 318 T CA -0.320 61.785 62.100 0.008 0.000 0.996 318 T CB 2.865 71.735 68.868 0.003 0.000 1.070 318 T HN -0.027 nan 8.240 nan 0.000 0.465 319 V N 2.916 122.844 119.914 0.022 0.000 2.443 319 V HA 0.608 4.709 4.120 -0.032 0.000 0.293 319 V C -0.308 175.807 176.094 0.035 0.000 1.021 319 V CA -0.753 61.567 62.300 0.033 0.000 0.848 319 V CB 1.681 33.519 31.823 0.024 0.000 0.998 319 V HN 0.762 nan 8.190 nan 0.000 0.424 320 K N 2.738 123.176 120.400 0.063 0.000 2.471 320 K HA 0.437 4.738 4.320 -0.032 0.000 0.252 320 K C -1.447 175.206 176.600 0.088 0.000 0.938 320 K CA -0.651 55.666 56.287 0.051 0.000 0.796 320 K CB 2.017 34.531 32.500 0.022 0.000 1.161 320 K HN 0.662 nan 8.250 nan 0.000 0.425 321 D N 3.011 123.438 120.400 0.045 0.000 2.325 321 D HA 0.187 4.807 4.640 -0.032 0.000 0.251 321 D C -1.004 175.360 176.300 0.106 0.000 1.196 321 D CA -0.141 53.889 54.000 0.050 0.000 0.866 321 D CB 1.018 41.775 40.800 -0.071 0.000 1.101 321 D HN 0.128 nan 8.370 nan 0.000 0.476 322 V N 4.997 125.031 119.914 0.200 0.000 2.384 322 V HA 0.170 4.271 4.120 -0.032 0.000 0.287 322 V C -0.023 176.215 176.094 0.239 0.000 1.020 322 V CA -1.101 61.302 62.300 0.172 0.000 0.850 322 V CB 1.632 33.508 31.823 0.089 0.000 0.987 322 V HN 0.550 nan 8.190 nan 0.000 0.436 323 D N 4.826 125.339 120.400 0.188 0.000 2.434 323 D HA 0.027 4.647 4.640 -0.032 0.000 0.252 323 D C 0.901 177.168 176.300 -0.056 0.000 1.185 323 D CA -0.032 53.945 54.000 -0.038 0.000 0.886 323 D CB 2.000 42.786 40.800 -0.025 0.000 1.148 323 D HN 0.441 nan 8.370 nan 0.000 0.483 324 V N -0.058 119.788 119.914 -0.113 0.000 3.604 324 V HA 0.188 4.289 4.120 -0.032 0.000 0.277 324 V C 0.564 176.617 176.094 -0.068 0.000 1.399 324 V CA 0.760 63.030 62.300 -0.051 0.000 1.034 324 V CB -0.216 31.601 31.823 -0.010 0.000 0.824 324 V HN 0.736 nan 8.190 nan 0.000 0.439 325 S N -0.933 114.699 115.700 -0.114 0.000 2.752 325 S HA 0.800 5.251 4.470 -0.032 0.000 0.284 325 S C 0.909 175.442 174.600 -0.111 0.000 1.189 325 S CA 0.077 58.225 58.200 -0.086 0.000 0.835 325 S CB 1.078 64.237 63.200 -0.068 0.000 1.192 325 S HN 1.001 nan 8.310 nan 0.000 0.506 326 A N 0.422 123.198 122.820 -0.073 0.000 2.121 326 A HA 0.159 4.459 4.320 -0.032 0.000 0.218 326 A C 1.805 179.344 177.584 -0.076 0.000 1.154 326 A CA 2.044 54.044 52.037 -0.062 0.000 0.679 326 A CB -1.247 17.734 19.000 -0.031 0.000 0.795 326 A HN 1.464 nan 8.150 nan 0.000 0.458 327 T N -5.325 109.172 114.554 -0.094 0.000 2.969 327 T HA 0.616 4.947 4.350 -0.032 0.000 0.258 327 T C 0.568 175.194 174.700 -0.123 0.000 0.962 327 T CA 0.537 62.593 62.100 -0.072 0.000 0.903 327 T CB -0.077 68.780 68.868 -0.018 0.000 1.177 327 T HN 0.606 nan 8.240 nan 0.000 0.511 328 A N 0.842 123.547 122.820 -0.191 0.000 2.281 328 A HA 0.831 5.131 4.320 -0.032 0.000 0.329 328 A C -0.992 176.346 177.584 -0.409 0.000 1.122 328 A CA -0.660 51.273 52.037 -0.173 0.000 0.850 328 A CB 0.719 19.674 19.000 -0.076 0.000 1.207 328 A HN 0.595 nan 8.150 nan 0.000 0.495 329 H N -0.814 118.257 119.070 0.001 0.000 2.928 329 H HA 0.707 5.276 4.556 0.022 0.000 0.371 329 H C -0.464 174.854 175.328 -0.016 0.000 1.186 329 H CA -0.590 55.463 56.048 0.008 0.000 1.134 329 H CB 1.655 31.426 29.762 0.016 0.000 1.824 329 H HN 0.705 nan 8.280 nan 0.000 0.554 330 R N 1.159 121.751 120.500 0.153 0.000 2.621 330 R HA 0.473 4.793 4.340 -0.032 0.000 0.292 330 R C -1.055 175.304 176.300 0.098 0.000 0.969 330 R CA -1.144 54.977 56.100 0.035 0.000 0.887 330 R CB 1.325 31.624 30.300 -0.002 0.000 1.180 330 R HN 0.524 nan 8.270 nan 0.000 0.450 331 R N 3.371 123.858 120.500 -0.021 0.000 2.205 331 R HA 0.166 4.487 4.340 -0.032 0.000 0.342 331 R C -1.486 174.804 176.300 -0.017 0.000 1.058 331 R CA -0.091 56.023 56.100 0.023 0.000 0.904 331 R CB 0.077 30.371 30.300 -0.009 0.000 1.089 331 R HN 0.448 nan 8.270 nan 0.000 0.471 332 Y N 3.338 123.626 120.300 -0.020 0.000 2.436 332 Y HA 0.231 4.754 4.550 -0.044 0.000 0.343 332 Y C -0.005 175.882 175.900 -0.022 0.000 1.008 332 Y CA -0.244 57.842 58.100 -0.023 0.000 1.241 332 Y CB 1.307 39.756 38.460 -0.018 0.000 1.153 332 Y HN 0.209 nan 8.280 nan 0.000 0.521 333 V N 4.278 124.225 119.914 0.056 0.000 2.313 333 V HA 0.281 4.381 4.120 -0.032 0.000 0.278 333 V C -0.188 175.910 176.094 0.006 0.000 1.017 333 V CA -0.682 61.632 62.300 0.023 0.000 0.823 333 V CB 0.869 32.688 31.823 -0.006 0.000 1.010 333 V HN 0.738 nan 8.190 nan 0.000 0.443 334 S N 3.636 119.344 115.700 0.013 0.000 2.554 334 S HA 0.718 5.169 4.470 -0.032 0.000 0.278 334 S C -0.146 174.421 174.600 -0.056 0.000 1.242 334 S CA -0.350 57.841 58.200 -0.015 0.000 1.051 334 S CB 2.020 65.221 63.200 0.001 0.000 0.986 334 S HN 0.461 nan 8.310 nan 0.000 0.502 335 V N 1.254 121.098 119.914 -0.116 0.000 3.156 335 V HA 0.315 4.416 4.120 -0.032 0.000 0.311 335 V C 0.350 176.370 176.094 -0.124 0.000 1.208 335 V CA -0.618 61.581 62.300 -0.168 0.000 1.063 335 V CB 2.237 33.809 31.823 -0.419 0.000 1.098 335 V HN 0.847 nan 8.190 nan 0.000 0.452 336 D N 0.040 120.413 120.400 -0.045 0.000 2.378 336 D HA 0.164 4.785 4.640 -0.032 0.000 0.227 336 D C 0.540 176.906 176.300 0.110 0.000 1.012 336 D CA 1.276 55.322 54.000 0.078 0.000 0.905 336 D CB 0.345 41.275 40.800 0.216 0.000 0.895 336 D HN 0.683 nan 8.370 nan 0.000 0.532 337 G N -1.886 106.959 108.800 0.076 0.000 3.433 337 G HA2 0.565 4.506 3.960 -0.032 0.000 0.173 337 G HA3 0.565 4.506 3.960 -0.032 0.000 0.173 337 G C 0.302 175.312 174.900 0.183 0.000 1.196 337 G CA 0.278 45.488 45.100 0.183 0.000 1.062 337 G HN 0.430 nan 8.290 nan 0.000 0.699 338 G N -0.801 108.151 108.800 0.253 0.000 2.292 338 G HA2 0.225 4.166 3.960 -0.032 0.000 0.194 338 G HA3 0.225 4.166 3.960 -0.032 0.000 0.194 338 G C 1.333 176.322 174.900 0.149 0.000 1.329 338 G CA 0.763 45.986 45.100 0.205 0.000 1.100 338 G HN 1.393 nan 8.290 nan 0.000 0.470 339 M N 0.930 120.525 119.600 -0.008 0.000 2.331 339 M HA -0.029 4.432 4.480 -0.032 0.000 0.260 339 M C 2.244 178.494 176.300 -0.083 0.000 1.072 339 M CA 3.235 58.474 55.300 -0.101 0.000 1.065 339 M CB -0.893 31.608 32.600 -0.164 0.000 1.392 339 M HN 0.827 nan 8.290 nan 0.000 0.427 340 S N 1.547 117.212 115.700 -0.058 0.000 2.383 340 S HA -0.182 4.268 4.470 -0.032 0.000 0.227 340 S C 1.167 175.857 174.600 0.151 0.000 1.026 340 S CA 1.484 59.755 58.200 0.118 0.000 0.981 340 S CB -0.716 62.684 63.200 0.333 0.000 0.818 340 S HN 0.837 nan 8.310 nan 0.000 0.472 341 D N -0.436 120.087 120.400 0.206 0.000 2.449 341 D HA 0.192 4.812 4.640 -0.032 0.000 0.210 341 D C 0.229 176.695 176.300 0.277 0.000 1.094 341 D CA -0.297 53.865 54.000 0.270 0.000 0.846 341 D CB -0.047 40.923 40.800 0.284 0.000 1.003 341 D HN 0.312 nan 8.370 nan 0.000 0.504 342 N N 0.487 119.299 118.700 0.187 0.000 2.653 342 N HA 0.160 4.881 4.740 -0.032 0.000 0.261 342 N C -0.868 174.714 175.510 0.119 0.000 1.216 342 N CA -0.437 52.709 53.050 0.160 0.000 0.784 342 N CB 0.840 39.367 38.487 0.067 0.000 1.327 342 N HN 0.169 nan 8.380 nan 0.000 0.539 343 I N 2.131 122.768 120.570 0.112 0.000 3.684 343 I HA 0.104 4.254 4.170 -0.032 0.000 0.304 343 I C 1.660 177.805 176.117 0.046 0.000 1.278 343 I CA 0.200 61.523 61.300 0.038 0.000 1.272 343 I CB 0.210 38.196 38.000 -0.024 0.000 1.029 343 I HN 0.352 nan 8.210 nan 0.000 0.458 344 R N -0.367 120.244 120.500 0.185 0.000 2.115 344 R HA -0.106 4.214 4.340 -0.032 0.000 0.230 344 R C 1.992 178.408 176.300 0.193 0.000 1.111 344 R CA 1.815 58.082 56.100 0.278 0.000 0.976 344 R CB -0.590 29.972 30.300 0.436 0.000 0.870 344 R HN 0.335 nan 8.270 nan 0.000 0.445 345 T N 1.117 115.790 114.554 0.199 0.000 2.674 345 T HA -0.134 4.197 4.350 -0.032 0.000 0.265 345 T C 2.019 176.742 174.700 0.038 0.000 1.039 345 T CA 1.535 63.713 62.100 0.131 0.000 1.150 345 T CB -0.250 68.713 68.868 0.158 0.000 0.864 345 T HN 0.368 nan 8.240 nan 0.000 0.427 346 A N 0.861 123.685 122.820 0.007 0.000 1.930 346 A HA 0.030 4.331 4.320 -0.032 0.000 0.217 346 A C 2.227 179.740 177.584 -0.118 0.000 1.175 346 A CA 1.161 53.171 52.037 -0.045 0.000 0.627 346 A CB -0.654 18.314 19.000 -0.053 0.000 0.815 346 A HN 0.377 nan 8.150 nan 0.000 0.443 347 L N -2.204 118.894 121.223 -0.208 0.000 2.127 347 L HA 0.083 4.403 4.340 -0.032 0.000 0.203 347 L C 1.620 178.185 176.870 -0.508 0.000 1.080 347 L CA 1.747 56.311 54.840 -0.461 0.000 0.768 347 L CB -0.442 41.155 42.059 -0.770 0.000 0.924 347 L HN 0.491 nan 8.230 nan 0.000 0.444 348 Y N -1.219 119.051 120.300 -0.050 0.000 2.500 348 Y HA 0.437 4.967 4.550 -0.033 0.000 0.246 348 Y C 1.551 177.395 175.900 -0.093 0.000 1.146 348 Y CA -0.021 58.029 58.100 -0.082 0.000 1.230 348 Y CB 0.265 38.662 38.460 -0.106 0.000 1.214 348 Y HN 0.158 nan 8.280 nan 0.000 0.526 349 G N 1.456 110.275 108.800 0.032 0.000 2.249 349 G HA2 -0.254 3.687 3.960 -0.032 0.000 0.273 349 G HA3 -0.254 3.687 3.960 -0.032 0.000 0.273 349 G C 0.388 175.271 174.900 -0.029 0.000 1.036 349 G CA 0.056 45.156 45.100 0.001 0.000 0.824 349 G HN 0.618 nan 8.290 nan 0.000 0.504 350 A N -0.885 121.917 122.820 -0.030 0.000 2.520 350 A HA 0.540 4.840 4.320 -0.032 0.000 0.235 350 A C 0.580 178.029 177.584 -0.226 0.000 1.065 350 A CA 0.765 52.666 52.037 -0.226 0.000 0.764 350 A CB 0.292 19.111 19.000 -0.302 0.000 1.002 350 A HN 0.675 nan 8.150 nan 0.000 0.502 351 Q N -0.043 119.538 119.800 -0.365 0.000 2.333 351 Q HA 0.587 4.908 4.340 -0.032 0.000 0.267 351 Q C -1.693 174.131 176.000 -0.295 0.000 1.012 351 Q CA -0.079 55.613 55.803 -0.185 0.000 0.824 351 Q CB 1.990 30.694 28.738 -0.058 0.000 1.290 351 Q HN 0.749 nan 8.270 nan 0.000 0.449 352 Y N -0.138 120.196 120.300 0.056 0.000 2.598 352 Y HA 0.339 4.869 4.550 -0.033 0.000 0.340 352 Y C -0.473 175.509 175.900 0.136 0.000 1.038 352 Y CA -1.023 57.144 58.100 0.113 0.000 1.100 352 Y CB 1.855 40.376 38.460 0.102 0.000 1.281 352 Y HN 0.527 nan 8.280 nan 0.000 0.488 353 D N 1.042 121.645 120.400 0.338 0.000 2.233 353 D HA 0.432 5.053 4.640 -0.032 0.000 0.240 353 D C -1.530 174.971 176.300 0.335 0.000 1.074 353 D CA -0.094 54.089 54.000 0.306 0.000 0.838 353 D CB 1.639 42.612 40.800 0.289 0.000 1.124 353 D HN 0.307 nan 8.370 nan 0.000 0.475 354 V N 4.170 124.296 119.914 0.353 0.000 2.680 354 V HA 0.785 4.886 4.120 -0.032 0.000 0.309 354 V C -1.219 175.088 176.094 0.354 0.000 1.052 354 V CA -0.521 61.987 62.300 0.347 0.000 0.908 354 V CB 1.778 33.739 31.823 0.230 0.000 1.001 354 V HN 0.530 nan 8.190 nan 0.000 0.431 355 R N 3.603 124.312 120.500 0.348 0.000 2.651 355 R HA 0.577 4.898 4.340 -0.032 0.000 0.278 355 R C -1.421 174.951 176.300 0.120 0.000 1.010 355 R CA -0.607 55.607 56.100 0.190 0.000 0.896 355 R CB 1.743 32.061 30.300 0.030 0.000 1.211 355 R HN 0.770 nan 8.270 nan 0.000 0.456 356 L N 4.250 125.514 121.223 0.068 0.000 2.418 356 L HA 0.193 4.514 4.340 -0.032 0.000 0.274 356 L C 0.549 177.418 176.870 -0.002 0.000 1.135 356 L CA 0.517 55.385 54.840 0.046 0.000 0.870 356 L CB 1.040 43.124 42.059 0.040 0.000 1.154 356 L HN 0.654 nan 8.230 nan 0.000 0.462 357 V N 0.425 120.345 119.914 0.011 0.000 3.477 357 V HA 0.217 4.317 4.120 -0.032 0.000 0.297 357 V C 1.161 177.253 176.094 -0.004 0.000 1.433 357 V CA 0.880 63.168 62.300 -0.020 0.000 1.052 357 V CB 0.015 31.839 31.823 0.001 0.000 0.895 357 V HN 0.845 nan 8.190 nan 0.000 0.438 358 S N 1.071 116.778 115.700 0.012 0.000 2.517 358 S HA 0.368 4.818 4.470 -0.032 0.000 0.214 358 S C 0.777 175.381 174.600 0.007 0.000 0.991 358 S CA -0.032 58.176 58.200 0.014 0.000 0.906 358 S CB -0.072 63.143 63.200 0.025 0.000 0.789 358 S HN 0.910 nan 8.310 nan 0.000 0.513 359 R N -0.760 119.742 120.500 0.002 0.000 2.728 359 R HA 0.655 4.975 4.340 -0.032 0.000 0.274 359 R C -2.163 174.134 176.300 -0.005 0.000 1.030 359 R CA -1.021 55.080 56.100 0.001 0.000 0.876 359 R CB 0.988 31.293 30.300 0.007 0.000 1.259 359 R HN -0.040 nan 8.270 nan 0.000 0.468 360 V N 1.226 121.137 119.914 -0.005 0.000 2.370 360 V HA 0.362 4.463 4.120 -0.032 0.000 0.279 360 V C -0.008 176.088 176.094 0.003 0.000 1.029 360 V CA -0.517 61.780 62.300 -0.005 0.000 0.870 360 V CB 1.431 33.248 31.823 -0.011 0.000 0.984 360 V HN 0.768 nan 8.190 nan 0.000 0.451 361 S N 2.324 118.029 115.700 0.008 0.000 2.554 361 S HA 0.282 4.733 4.470 -0.032 0.000 0.278 361 S C 0.512 175.120 174.600 0.012 0.000 1.242 361 S CA -0.673 57.536 58.200 0.014 0.000 1.051 361 S CB 0.892 64.106 63.200 0.023 0.000 0.986 361 S HN 0.772 nan 8.310 nan 0.000 0.502 362 D N 2.486 122.893 120.400 0.012 0.000 2.339 362 D HA 0.235 4.855 4.640 -0.032 0.000 0.217 362 D C 0.581 176.891 176.300 0.016 0.000 1.050 362 D CA 0.137 54.144 54.000 0.011 0.000 0.856 362 D CB 0.098 40.903 40.800 0.008 0.000 0.922 362 D HN 0.558 nan 8.370 nan 0.000 0.518 363 A N 2.067 124.901 122.820 0.023 0.000 2.407 363 A HA 0.418 4.718 4.320 -0.032 0.000 0.248 363 A C -2.134 175.473 177.584 0.039 0.000 1.082 363 A CA -0.951 51.104 52.037 0.031 0.000 0.785 363 A CB 0.055 19.076 19.000 0.035 0.000 1.020 363 A HN -0.092 nan 8.150 nan 0.000 0.489 364 P HA 0.230 nan 4.420 nan 0.000 0.269 364 P C -2.585 174.771 177.300 0.093 0.000 1.215 364 P CA -0.978 62.155 63.100 0.055 0.000 0.780 364 P CB -0.190 31.544 31.700 0.057 0.000 0.898 365 P HA 0.211 nan 4.420 nan 0.000 0.276 365 P C -0.874 176.651 177.300 0.375 0.000 1.244 365 P CA -0.080 63.152 63.100 0.221 0.000 0.801 365 P CB 0.866 32.651 31.700 0.143 0.000 1.006 366 V N 2.952 123.145 119.914 0.465 0.000 2.777 366 V HA 0.315 4.415 4.120 -0.032 0.000 0.306 366 V C -2.538 173.562 176.094 0.009 0.000 1.112 366 V CA -2.151 60.309 62.300 0.267 0.000 0.917 366 V CB 2.601 34.503 31.823 0.131 0.000 1.018 366 V HN 0.476 nan 8.190 nan 0.000 0.426 367 P HA 0.475 nan 4.420 nan 0.000 0.268 367 P C -0.923 176.113 177.300 -0.440 0.000 1.204 367 P CA 0.169 62.727 63.100 -0.903 0.000 0.768 367 P CB 0.918 32.111 31.700 -0.845 0.000 0.842 368 A N 2.969 125.522 122.820 -0.445 0.000 2.566 368 A HA 0.823 5.123 4.320 -0.032 0.000 0.292 368 A C -1.058 176.322 177.584 -0.341 0.000 1.112 368 A CA -0.752 51.108 52.037 -0.294 0.000 0.707 368 A CB 1.704 20.611 19.000 -0.154 0.000 1.302 368 A HN 0.501 nan 8.150 nan 0.000 0.409 369 R N 0.655 120.908 120.500 -0.412 0.000 2.538 369 R HA 0.593 4.913 4.340 -0.032 0.000 0.292 369 R C -2.098 174.037 176.300 -0.276 0.000 1.008 369 R CA -0.588 55.251 56.100 -0.435 0.000 0.896 369 R CB 1.370 31.167 30.300 -0.838 0.000 1.187 369 R HN 0.704 nan 8.270 nan 0.000 0.440 370 L N 6.394 127.533 121.223 -0.141 0.000 2.264 370 L HA 0.490 4.810 4.340 -0.032 0.000 0.289 370 L C -0.855 175.972 176.870 -0.072 0.000 1.044 370 L CA -0.321 54.465 54.840 -0.090 0.000 0.807 370 L CB 1.504 43.527 42.059 -0.061 0.000 1.192 370 L HN 0.505 nan 8.230 nan 0.000 0.425 371 V N 2.402 122.288 119.914 -0.047 0.000 3.001 371 V HA 1.015 5.116 4.120 -0.032 0.000 0.314 371 V C 0.272 176.337 176.094 -0.048 0.000 1.099 371 V CA -0.091 62.212 62.300 0.004 0.000 0.989 371 V CB 1.122 33.020 31.823 0.124 0.000 1.040 371 V HN 0.764 nan 8.190 nan 0.000 0.434 372 G N 1.514 110.313 108.800 -0.002 0.000 2.606 372 G HA2 0.509 4.450 3.960 -0.032 0.000 0.262 372 G HA3 0.509 4.450 3.960 -0.032 0.000 0.262 372 G C 0.143 175.053 174.900 0.017 0.000 1.394 372 G CA -0.222 44.880 45.100 0.003 0.000 1.044 372 G HN 1.154 nan 8.290 nan 0.000 0.553 373 K N -1.103 119.282 120.400 -0.025 0.000 2.414 373 K HA 0.315 4.615 4.320 -0.032 0.000 0.204 373 K C -0.187 176.307 176.600 -0.177 0.000 1.026 373 K CA -0.309 55.913 56.287 -0.108 0.000 1.108 373 K CB 0.111 32.524 32.500 -0.146 0.000 0.855 373 K HN 0.429 nan 8.250 nan 0.000 0.517 374 H N -0.100 118.946 119.070 -0.039 0.000 2.551 374 H HA 0.174 4.710 4.556 -0.033 0.000 0.358 374 H C -0.209 175.075 175.328 -0.073 0.000 1.151 374 H CA -0.564 55.431 56.048 -0.088 0.000 1.374 374 H CB 1.047 30.792 29.762 -0.028 0.000 1.473 374 H HN 0.171 nan 8.280 nan 0.000 0.574 375 C N 3.417 122.706 119.300 -0.017 0.000 3.093 375 C HA 0.130 4.570 4.460 -0.032 0.000 0.515 375 C C 0.084 175.097 174.990 0.038 0.000 1.253 375 C CA 0.060 59.066 59.018 -0.019 0.000 1.476 375 C CB -2.513 25.189 27.740 -0.064 0.000 1.873 375 C HN 0.754 nan 8.230 nan 0.000 0.632 376 E N -1.625 118.630 120.200 0.092 0.000 2.352 376 E HA 0.313 4.643 4.350 -0.032 0.000 0.280 376 E C 0.040 176.688 176.600 0.080 0.000 0.930 376 E CA -0.591 55.868 56.400 0.099 0.000 0.765 376 E CB 0.924 30.718 29.700 0.157 0.000 1.219 376 E HN -0.064 nan 8.360 nan 0.000 0.434 377 S N 1.774 117.505 115.700 0.053 0.000 2.383 377 S HA -0.111 4.340 4.470 -0.032 0.000 0.229 377 S C 1.577 176.214 174.600 0.061 0.000 1.030 377 S CA 1.478 59.704 58.200 0.043 0.000 1.002 377 S CB -0.276 62.938 63.200 0.024 0.000 0.829 377 S HN 0.736 nan 8.310 nan 0.000 0.467 378 G N 0.879 109.712 108.800 0.055 0.000 2.956 378 G HA2 -0.030 3.910 3.960 -0.032 0.000 0.207 378 G HA3 -0.030 3.910 3.960 -0.032 0.000 0.207 378 G C 0.118 175.048 174.900 0.050 0.000 1.162 378 G CA -0.115 45.012 45.100 0.045 0.000 0.796 378 G HN 0.428 nan 8.290 nan 0.000 0.527 379 D N 1.015 121.462 120.400 0.077 0.000 2.545 379 D HA 0.192 4.813 4.640 -0.032 0.000 0.227 379 D C 0.117 176.463 176.300 0.078 0.000 1.150 379 D CA -0.268 53.782 54.000 0.084 0.000 1.046 379 D CB -0.532 40.358 40.800 0.151 0.000 1.098 379 D HN 0.133 nan 8.370 nan 0.000 0.502 380 I N 3.178 123.782 120.570 0.056 0.000 2.404 380 I HA 0.256 4.407 4.170 -0.032 0.000 0.293 380 I C 1.065 177.202 176.117 0.034 0.000 0.992 380 I CA -0.812 60.515 61.300 0.046 0.000 1.149 380 I CB 2.007 40.035 38.000 0.045 0.000 1.315 380 I HN 0.188 nan 8.210 nan 0.000 0.446 381 I N 5.024 125.600 120.570 0.010 0.000 2.729 381 I HA 0.092 4.243 4.170 -0.032 0.000 0.256 381 I C 0.058 176.218 176.117 0.072 0.000 1.115 381 I CA 0.700 62.007 61.300 0.012 0.000 1.446 381 I CB 0.383 38.339 38.000 -0.074 0.000 1.176 381 I HN 0.221 nan 8.210 nan 0.000 0.446 382 V N 1.699 121.642 119.914 0.049 0.000 2.419 382 V HA 0.256 4.357 4.120 -0.032 0.000 0.287 382 V C 0.843 176.946 176.094 0.015 0.000 1.017 382 V CA -0.632 61.721 62.300 0.089 0.000 0.844 382 V CB 1.624 33.514 31.823 0.111 0.000 1.011 382 V HN 0.173 nan 8.190 nan 0.000 0.429 383 R N 2.728 123.239 120.500 0.019 0.000 2.066 383 R HA -0.012 4.308 4.340 -0.032 0.000 0.232 383 R C -0.088 176.165 176.300 -0.079 0.000 1.131 383 R CA 1.436 57.517 56.100 -0.031 0.000 0.955 383 R CB 0.377 30.674 30.300 -0.005 0.000 0.851 383 R HN 0.722 nan 8.270 nan 0.000 0.432 384 D N -0.002 120.373 120.400 -0.041 0.000 2.542 384 D HA 0.194 4.814 4.640 -0.032 0.000 0.252 384 D C -1.059 175.224 176.300 -0.029 0.000 1.222 384 D CA -0.099 53.851 54.000 -0.083 0.000 0.895 384 D CB 2.163 42.931 40.800 -0.053 0.000 1.207 384 D HN 0.093 nan 8.370 nan 0.000 0.558 385 T N 0.792 115.278 114.554 -0.113 0.000 2.645 385 T HA 0.615 4.946 4.350 -0.032 0.000 0.300 385 T C -1.881 172.729 174.700 -0.150 0.000 1.210 385 T CA -0.475 61.647 62.100 0.037 0.000 1.034 385 T CB 0.949 69.884 68.868 0.111 0.000 1.537 385 T HN 0.311 nan 8.240 nan 0.000 0.492 386 W N 1.166 122.492 121.300 0.043 0.000 2.998 386 W HA 0.663 5.301 4.660 -0.037 0.000 0.335 386 W C -0.802 175.742 176.519 0.041 0.000 1.110 386 W CA -0.595 56.772 57.345 0.036 0.000 1.230 386 W CB 1.748 31.233 29.460 0.043 0.000 1.405 386 W HN 0.549 nan 8.180 nan 0.000 0.493 387 V N 0.336 120.394 119.914 0.240 0.000 3.040 387 V HA 0.754 4.855 4.120 -0.032 0.000 0.312 387 V C -2.576 173.607 176.094 0.149 0.000 1.115 387 V CA -3.364 59.030 62.300 0.156 0.000 0.998 387 V CB 1.825 33.699 31.823 0.085 0.000 1.042 387 V HN 0.325 nan 8.190 nan 0.000 0.433 388 P HA 0.123 nan 4.420 nan 0.000 0.269 388 P C -0.001 177.343 177.300 0.072 0.000 1.209 388 P CA 0.371 63.523 63.100 0.087 0.000 0.776 388 P CB 0.803 32.539 31.700 0.061 0.000 0.876 389 D N 1.295 121.736 120.400 0.069 0.000 2.309 389 D HA -0.172 4.449 4.640 -0.032 0.000 0.212 389 D C 0.775 177.096 176.300 0.035 0.000 0.968 389 D CA 1.141 55.172 54.000 0.053 0.000 0.882 389 D CB -0.195 40.637 40.800 0.052 0.000 0.918 389 D HN 0.354 nan 8.370 nan 0.000 0.503 390 D N -0.401 120.019 120.400 0.034 0.000 2.388 390 D HA -0.008 4.613 4.640 -0.032 0.000 0.221 390 D C 0.774 177.090 176.300 0.026 0.000 1.133 390 D CA -0.564 53.451 54.000 0.025 0.000 0.831 390 D CB -0.967 39.846 40.800 0.021 0.000 0.962 390 D HN 0.302 nan 8.370 nan 0.000 0.502 391 I N 1.663 122.253 120.570 0.032 0.000 2.775 391 I HA 0.017 4.168 4.170 -0.032 0.000 0.290 391 I C 0.265 176.398 176.117 0.026 0.000 1.203 391 I CA 0.197 61.516 61.300 0.033 0.000 1.433 391 I CB 0.154 38.177 38.000 0.039 0.000 1.354 391 I HN 0.102 nan 8.210 nan 0.000 0.579 392 R N 5.503 126.019 120.500 0.025 0.000 2.739 392 R HA 0.645 4.966 4.340 -0.032 0.000 0.271 392 R C -2.978 173.335 176.300 0.022 0.000 1.010 392 R CA -2.029 54.083 56.100 0.020 0.000 0.897 392 R CB 0.500 30.811 30.300 0.017 0.000 1.236 392 R HN 0.197 nan 8.270 nan 0.000 0.466 393 P HA 0.022 nan 4.420 nan 0.000 0.265 393 P C 0.560 177.872 177.300 0.021 0.000 1.187 393 P CA 1.773 64.884 63.100 0.018 0.000 0.766 393 P CB 0.677 32.385 31.700 0.013 0.000 0.820 394 G N 1.542 110.357 108.800 0.026 0.000 2.268 394 G HA2 -0.195 3.745 3.960 -0.032 0.000 0.240 394 G HA3 -0.195 3.745 3.960 -0.032 0.000 0.240 394 G C 0.063 174.982 174.900 0.033 0.000 1.010 394 G CA -0.224 44.893 45.100 0.027 0.000 0.618 394 G HN 0.520 nan 8.290 nan 0.000 0.516 395 D N 0.857 121.277 120.400 0.035 0.000 2.399 395 D HA 0.459 5.080 4.640 -0.032 0.000 0.241 395 D C 0.926 177.259 176.300 0.055 0.000 1.133 395 D CA 0.252 54.276 54.000 0.040 0.000 0.890 395 D CB 0.817 41.641 40.800 0.040 0.000 1.201 395 D HN 0.360 nan 8.370 nan 0.000 0.432 396 L N 1.543 122.801 121.223 0.058 0.000 2.295 396 L HA 0.415 4.735 4.340 -0.032 0.000 0.285 396 L C 0.248 177.174 176.870 0.092 0.000 1.035 396 L CA -0.982 53.905 54.840 0.078 0.000 0.806 396 L CB 1.418 43.516 42.059 0.065 0.000 1.214 396 L HN 0.120 nan 8.230 nan 0.000 0.426 397 V N 0.220 120.215 119.914 0.136 0.000 2.919 397 V HA 1.006 5.106 4.120 -0.032 0.000 0.316 397 V C -0.220 176.000 176.094 0.211 0.000 1.077 397 V CA -0.587 61.814 62.300 0.168 0.000 0.977 397 V CB 1.721 33.649 31.823 0.176 0.000 1.039 397 V HN 0.842 nan 8.190 nan 0.000 0.441 398 A N 2.320 125.291 122.820 0.252 0.000 2.435 398 A HA 0.868 5.168 4.320 -0.032 0.000 0.304 398 A C -0.926 176.859 177.584 0.334 0.000 1.064 398 A CA -0.696 51.495 52.037 0.258 0.000 0.727 398 A CB 2.030 21.212 19.000 0.303 0.000 1.284 398 A HN 1.273 nan 8.150 nan 0.000 0.415 399 V N 1.727 121.730 119.914 0.148 0.000 2.398 399 V HA 0.633 4.734 4.120 -0.032 0.000 0.286 399 V C 0.754 176.764 176.094 -0.140 0.000 1.026 399 V CA -0.205 62.129 62.300 0.057 0.000 0.868 399 V CB 1.185 33.007 31.823 -0.002 0.000 0.982 399 V HN 1.230 nan 8.190 nan 0.000 0.443 400 A N 3.994 126.616 122.820 -0.331 0.000 2.286 400 A HA 0.754 5.054 4.320 -0.032 0.000 0.286 400 A C 1.031 178.539 177.584 -0.127 0.000 1.097 400 A CA 0.162 51.820 52.037 -0.632 0.000 0.821 400 A CB 0.483 18.570 19.000 -1.522 0.000 1.076 400 A HN 2.370 nan 8.150 nan 0.000 0.490 401 A N 0.490 123.228 122.820 -0.137 0.000 2.846 401 A HA -0.113 4.188 4.320 -0.032 0.000 0.287 401 A C 0.963 178.723 177.584 0.294 0.000 1.469 401 A CA 1.560 53.612 52.037 0.025 0.000 0.757 401 A CB -2.506 16.424 19.000 -0.117 0.000 1.033 401 A HN 2.294 nan 8.150 nan 0.000 0.516 402 T N -3.613 111.067 114.554 0.211 0.000 3.163 402 T HA 0.412 4.742 4.350 -0.032 0.000 0.252 402 T C 1.574 176.440 174.700 0.277 0.000 1.056 402 T CA 1.190 63.465 62.100 0.292 0.000 0.947 402 T CB 0.295 69.263 68.868 0.166 0.000 1.016 402 T HN 1.443 nan 8.240 nan 0.000 0.554 403 G N 1.014 109.916 108.800 0.170 0.000 2.559 403 G HA2 0.378 4.319 3.960 -0.032 0.000 0.216 403 G HA3 0.378 4.319 3.960 -0.032 0.000 0.216 403 G C 0.525 175.458 174.900 0.054 0.000 1.126 403 G CA 0.203 45.339 45.100 0.060 0.000 0.778 403 G HN 0.854 nan 8.290 nan 0.000 0.543 404 A N -0.936 121.977 122.820 0.155 0.000 2.330 404 A HA 0.625 4.926 4.320 -0.032 0.000 0.313 404 A C 0.028 177.752 177.584 0.233 0.000 1.124 404 A CA -0.808 51.282 52.037 0.089 0.000 0.774 404 A CB 0.616 19.712 19.000 0.160 0.000 1.198 404 A HN 0.657 nan 8.150 nan 0.000 0.465 405 Y N -0.151 120.283 120.300 0.223 0.000 4.538 405 Y HA -0.345 4.185 4.550 -0.033 0.000 0.225 405 Y C 1.493 177.535 175.900 0.237 0.000 1.074 405 Y CA 0.656 58.885 58.100 0.214 0.000 1.942 405 Y CB -2.640 35.934 38.460 0.191 0.000 1.618 405 Y HN 0.639 nan 8.280 nan 0.000 0.642 406 C N -2.681 116.813 119.300 0.323 0.000 2.519 406 C HA 0.006 4.446 4.460 -0.032 0.000 0.297 406 C C 2.462 177.600 174.990 0.247 0.000 1.414 406 C CA 0.749 59.968 59.018 0.335 0.000 1.893 406 C CB -1.029 26.972 27.740 0.436 0.000 2.134 406 C HN 0.650 nan 8.230 nan 0.000 0.580 407 Y N 2.181 122.430 120.300 -0.085 0.000 2.181 407 Y HA -0.187 4.344 4.550 -0.033 0.000 0.288 407 Y C 2.651 178.575 175.900 0.040 0.000 1.146 407 Y CA 1.944 59.929 58.100 -0.192 0.000 1.164 407 Y CB -0.390 37.679 38.460 -0.651 0.000 0.982 407 Y HN 0.241 nan 8.280 nan 0.000 0.515 408 S N 0.241 116.114 115.700 0.287 0.000 2.392 408 S HA -0.225 4.226 4.470 -0.032 0.000 0.232 408 S C 1.699 176.373 174.600 0.123 0.000 1.041 408 S CA 1.837 60.168 58.200 0.219 0.000 1.026 408 S CB -0.470 62.863 63.200 0.222 0.000 0.845 408 S HN 0.461 nan 8.310 nan 0.000 0.465 409 L N 1.631 122.933 121.223 0.133 0.000 2.607 409 L HA 0.169 4.489 4.340 -0.032 0.000 0.228 409 L C 0.871 177.757 176.870 0.027 0.000 1.123 409 L CA -0.307 54.592 54.840 0.098 0.000 0.890 409 L CB -0.197 41.958 42.059 0.159 0.000 1.103 409 L HN 0.192 nan 8.230 nan 0.000 0.468 410 S N 0.071 115.748 115.700 -0.038 0.000 2.558 410 S HA 0.203 4.654 4.470 -0.032 0.000 0.291 410 S C 0.328 174.895 174.600 -0.057 0.000 1.306 410 S CA -0.337 57.820 58.200 -0.072 0.000 1.056 410 S CB 0.761 63.818 63.200 -0.239 0.000 0.836 410 S HN 0.310 nan 8.310 nan 0.000 0.504 411 S N 2.010 117.708 115.700 -0.002 0.000 2.709 411 S HA 0.598 5.049 4.470 -0.032 0.000 0.302 411 S C -0.371 174.280 174.600 0.084 0.000 1.127 411 S CA -1.345 56.870 58.200 0.025 0.000 0.905 411 S CB 1.307 64.516 63.200 0.014 0.000 1.151 411 S HN 0.757 nan 8.310 nan 0.000 0.510 412 R N 0.062 120.625 120.500 0.105 0.000 3.039 412 R HA 0.241 4.561 4.340 -0.032 0.000 0.336 412 R C -0.771 175.659 176.300 0.216 0.000 1.258 412 R CA -0.333 55.848 56.100 0.136 0.000 1.125 412 R CB -0.260 30.093 30.300 0.088 0.000 1.427 412 R HN 0.664 nan 8.270 nan 0.000 0.588 413 Y N 1.762 122.115 120.300 0.087 0.000 2.717 413 Y HA -0.222 4.308 4.550 -0.032 0.000 0.330 413 Y C 0.330 176.354 175.900 0.208 0.000 1.217 413 Y CA 0.666 58.830 58.100 0.107 0.000 1.506 413 Y CB 0.186 38.651 38.460 0.008 0.000 1.268 413 Y HN 0.527 nan 8.280 nan 0.000 0.561 414 N N 4.753 123.366 118.700 -0.146 0.000 2.714 414 N HA -0.268 4.453 4.740 -0.032 0.000 0.250 414 N C -0.532 174.946 175.510 -0.054 0.000 1.117 414 N CA 0.484 53.429 53.050 -0.176 0.000 0.719 414 N CB -0.578 37.738 38.487 -0.286 0.000 1.081 414 N HN 0.688 nan 8.380 nan 0.000 0.557 415 M N -2.678 116.935 119.600 0.022 0.000 2.461 415 M HA -0.177 4.284 4.480 -0.032 0.000 0.203 415 M C -0.908 175.407 176.300 0.025 0.000 0.428 415 M CA 0.702 56.019 55.300 0.027 0.000 0.509 415 M CB -2.387 30.216 32.600 0.005 0.000 1.851 415 M HN 0.091 nan 8.290 nan 0.000 0.834 416 V N 0.417 120.366 119.914 0.058 0.000 2.348 416 V HA 0.575 4.675 4.120 -0.032 0.000 0.270 416 V C 1.537 177.686 176.094 0.092 0.000 1.037 416 V CA -0.283 62.052 62.300 0.057 0.000 0.872 416 V CB 1.180 33.038 31.823 0.059 0.000 1.002 416 V HN 0.614 nan 8.190 nan 0.000 0.464 417 G N 4.722 113.565 108.800 0.072 0.000 2.554 417 G HA2 0.203 4.144 3.960 -0.032 0.000 0.238 417 G HA3 0.203 4.144 3.960 -0.032 0.000 0.238 417 G C 0.152 175.113 174.900 0.102 0.000 1.259 417 G CA -0.482 44.666 45.100 0.079 0.000 0.843 417 G HN 0.717 nan 8.290 nan 0.000 0.582 418 R N 1.839 122.396 120.500 0.095 0.000 2.585 418 R HA 0.095 4.415 4.340 -0.032 0.000 0.275 418 R C -2.104 174.320 176.300 0.207 0.000 1.018 418 R CA -0.704 55.468 56.100 0.122 0.000 1.072 418 R CB 0.230 30.564 30.300 0.056 0.000 0.953 418 R HN 0.329 nan 8.270 nan 0.000 0.419 419 P HA 0.029 nan 4.420 nan 0.000 0.272 419 P C -0.864 176.636 177.300 0.334 0.000 1.223 419 P CA -0.132 63.141 63.100 0.288 0.000 0.784 419 P CB 0.760 32.641 31.700 0.301 0.000 0.923 420 A N 2.126 125.078 122.820 0.220 0.000 2.425 420 A HA 0.364 4.665 4.320 -0.032 0.000 0.242 420 A C -0.239 177.442 177.584 0.162 0.000 1.077 420 A CA 0.021 52.155 52.037 0.162 0.000 0.781 420 A CB -0.165 18.903 19.000 0.113 0.000 1.020 420 A HN 0.372 nan 8.150 nan 0.000 0.494 421 V N 2.355 122.296 119.914 0.044 0.000 2.495 421 V HA 0.507 4.608 4.120 -0.032 0.000 0.298 421 V C -0.276 175.755 176.094 -0.104 0.000 1.031 421 V CA -0.513 61.772 62.300 -0.025 0.000 0.871 421 V CB 1.403 33.109 31.823 -0.195 0.000 0.988 421 V HN 0.656 nan 8.190 nan 0.000 0.432 422 V N 3.249 123.089 119.914 -0.123 0.000 2.680 422 V HA 0.845 4.945 4.120 -0.032 0.000 0.309 422 V C 0.183 176.239 176.094 -0.064 0.000 1.052 422 V CA -0.508 61.668 62.300 -0.207 0.000 0.908 422 V CB 2.116 33.682 31.823 -0.429 0.000 1.001 422 V HN 1.030 nan 8.190 nan 0.000 0.431 423 A N 4.165 126.980 122.820 -0.008 0.000 2.304 423 A HA 0.867 5.168 4.320 -0.032 0.000 0.323 423 A C -0.560 177.075 177.584 0.085 0.000 1.195 423 A CA -0.505 51.599 52.037 0.113 0.000 0.826 423 A CB 1.453 20.610 19.000 0.262 0.000 1.184 423 A HN 1.409 nan 8.150 nan 0.000 0.496 424 V N 0.669 120.641 119.914 0.095 0.000 2.604 424 V HA 0.763 4.864 4.120 -0.032 0.000 0.305 424 V C -0.638 175.522 176.094 0.111 0.000 1.043 424 V CA -0.506 61.848 62.300 0.091 0.000 0.888 424 V CB 1.678 33.542 31.823 0.068 0.000 0.995 424 V HN 0.999 nan 8.190 nan 0.000 0.429 425 H N 3.837 122.901 119.070 -0.009 0.000 3.083 425 H HA 0.533 5.070 4.556 -0.032 0.000 0.339 425 H C 0.310 175.627 175.328 -0.019 0.000 1.020 425 H CA 0.327 56.351 56.048 -0.039 0.000 1.360 425 H CB 1.808 31.524 29.762 -0.077 0.000 1.811 425 H HN 1.812 nan 8.280 nan 0.000 0.493 426 A N 2.998 125.648 122.820 -0.283 0.000 2.745 426 A HA -0.176 4.124 4.320 -0.032 0.000 0.296 426 A C 1.580 179.143 177.584 -0.035 0.000 1.500 426 A CA 1.769 53.702 52.037 -0.172 0.000 0.766 426 A CB -2.084 16.821 19.000 -0.159 0.000 1.030 426 A HN 2.010 nan 8.150 nan 0.000 0.489 427 G N -1.964 106.827 108.800 -0.016 0.000 2.176 427 G HA2 -0.233 3.708 3.960 -0.032 0.000 0.253 427 G HA3 -0.233 3.708 3.960 -0.032 0.000 0.253 427 G C -0.244 174.682 174.900 0.044 0.000 0.979 427 G CA 0.368 45.477 45.100 0.015 0.000 0.641 427 G HN 1.308 nan 8.290 nan 0.000 0.530 428 N N 0.494 119.232 118.700 0.064 0.000 2.314 428 N HA 0.682 5.403 4.740 -0.032 0.000 0.294 428 N C -0.239 175.334 175.510 0.104 0.000 1.029 428 N CA 0.358 53.460 53.050 0.086 0.000 0.845 428 N CB 2.084 40.624 38.487 0.089 0.000 1.321 428 N HN 0.647 nan 8.380 nan 0.000 0.481 429 A N 2.003 124.897 122.820 0.125 0.000 2.355 429 A HA 0.829 5.130 4.320 -0.032 0.000 0.324 429 A C -0.312 177.354 177.584 0.137 0.000 1.117 429 A CA -0.738 51.379 52.037 0.133 0.000 0.785 429 A CB 1.360 20.486 19.000 0.211 0.000 1.254 429 A HN 0.798 nan 8.150 nan 0.000 0.453 430 R N 1.385 121.916 120.500 0.053 0.000 2.626 430 R HA 0.615 4.936 4.340 -0.032 0.000 0.274 430 R C -1.863 174.392 176.300 -0.075 0.000 1.031 430 R CA -0.843 55.289 56.100 0.052 0.000 0.898 430 R CB 1.061 31.401 30.300 0.068 0.000 1.222 430 R HN 0.557 nan 8.270 nan 0.000 0.455 431 L N 3.042 124.232 121.223 -0.055 0.000 2.410 431 L HA 0.157 4.478 4.340 -0.032 0.000 0.273 431 L C 0.040 176.883 176.870 -0.046 0.000 1.144 431 L CA 0.368 55.143 54.840 -0.108 0.000 0.863 431 L CB 1.605 43.685 42.059 0.036 0.000 1.140 431 L HN 0.733 nan 8.230 nan 0.000 0.463 432 V N 4.951 124.823 119.914 -0.070 0.000 2.806 432 V HA 0.209 4.309 4.120 -0.032 0.000 0.239 432 V C 0.410 176.465 176.094 -0.064 0.000 1.113 432 V CA 0.286 62.548 62.300 -0.063 0.000 1.137 432 V CB 0.073 31.842 31.823 -0.090 0.000 0.865 432 V HN 0.566 nan 8.190 nan 0.000 0.482 433 L N 2.013 123.198 121.223 -0.063 0.000 2.349 433 L HA 0.532 4.853 4.340 -0.032 0.000 0.278 433 L C 0.024 176.909 176.870 0.026 0.000 0.996 433 L CA -0.645 54.177 54.840 -0.031 0.000 0.825 433 L CB 1.734 43.740 42.059 -0.088 0.000 1.243 433 L HN 0.337 nan 8.230 nan 0.000 0.412 434 R N 2.081 122.613 120.500 0.054 0.000 2.679 434 R HA 0.382 4.702 4.340 -0.032 0.000 0.269 434 R C -0.020 176.350 176.300 0.117 0.000 1.076 434 R CA -0.731 55.418 56.100 0.082 0.000 1.160 434 R CB 0.935 31.279 30.300 0.074 0.000 1.054 434 R HN 0.579 nan 8.270 nan 0.000 0.507 435 R N 1.486 122.059 120.500 0.122 0.000 2.543 435 R HA 0.007 4.328 4.340 -0.032 0.000 0.277 435 R C -0.639 175.726 176.300 0.109 0.000 1.074 435 R CA -0.062 56.118 56.100 0.133 0.000 1.076 435 R CB 0.651 31.025 30.300 0.123 0.000 0.993 435 R HN 0.702 nan 8.270 nan 0.000 0.459 436 E N 1.773 122.038 120.200 0.108 0.000 2.383 436 E HA 0.063 4.393 4.350 -0.032 0.000 0.264 436 E C -0.059 176.582 176.600 0.067 0.000 1.050 436 E CA 0.029 56.477 56.400 0.081 0.000 0.896 436 E CB 1.146 30.890 29.700 0.075 0.000 0.982 436 E HN 0.742 nan 8.360 nan 0.000 0.424 437 T N -2.309 112.277 114.554 0.054 0.000 2.919 437 T HA 0.213 4.544 4.350 -0.032 0.000 0.282 437 T C 1.166 175.887 174.700 0.036 0.000 1.020 437 T CA -0.863 61.263 62.100 0.044 0.000 0.994 437 T CB 0.869 69.760 68.868 0.039 0.000 1.180 437 T HN 0.149 nan 8.240 nan 0.000 0.566 438 V N 1.073 121.004 119.914 0.029 0.000 2.407 438 V HA -0.131 3.969 4.120 -0.032 0.000 0.248 438 V C 2.308 178.415 176.094 0.022 0.000 1.055 438 V CA 2.210 64.524 62.300 0.023 0.000 1.049 438 V CB -1.129 30.704 31.823 0.018 0.000 0.662 438 V HN 0.864 nan 8.190 nan 0.000 0.455 439 D N 0.101 120.514 120.400 0.023 0.000 2.104 439 D HA -0.175 4.446 4.640 -0.032 0.000 0.194 439 D C 1.936 178.249 176.300 0.022 0.000 0.994 439 D CA 1.502 55.514 54.000 0.021 0.000 0.830 439 D CB -0.295 40.518 40.800 0.021 0.000 0.959 439 D HN 0.428 nan 8.370 nan 0.000 0.452 440 D N 0.029 120.446 120.400 0.027 0.000 2.092 440 D HA -0.142 4.479 4.640 -0.032 0.000 0.193 440 D C 2.130 178.446 176.300 0.027 0.000 0.994 440 D CA 0.550 54.568 54.000 0.029 0.000 0.828 440 D CB -0.401 40.422 40.800 0.037 0.000 0.963 440 D HN 0.090 nan 8.370 nan 0.000 0.450 441 L N 0.377 121.617 121.223 0.029 0.000 2.051 441 L HA -0.165 4.156 4.340 -0.032 0.000 0.214 441 L C 2.276 179.160 176.870 0.022 0.000 1.076 441 L CA 1.345 56.202 54.840 0.027 0.000 0.758 441 L CB -0.696 41.379 42.059 0.027 0.000 0.890 441 L HN 0.095 nan 8.230 nan 0.000 0.433 442 L N -1.366 119.868 121.223 0.019 0.000 2.628 442 L HA 0.058 4.378 4.340 -0.032 0.000 0.229 442 L C 2.109 178.987 176.870 0.014 0.000 1.137 442 L CA 0.442 55.291 54.840 0.016 0.000 0.909 442 L CB -0.258 41.809 42.059 0.014 0.000 1.137 442 L HN 0.295 nan 8.230 nan 0.000 0.470 443 S N -0.412 115.296 115.700 0.015 0.000 2.461 443 S HA -0.019 4.432 4.470 -0.032 0.000 0.228 443 S C 1.615 176.221 174.600 0.010 0.000 1.005 443 S CA 0.473 58.680 58.200 0.012 0.000 0.942 443 S CB -0.183 63.025 63.200 0.013 0.000 0.776 443 S HN 0.451 nan 8.310 nan 0.000 0.514 444 L N 0.784 122.013 121.223 0.010 0.000 2.591 444 L HA 0.289 4.610 4.340 -0.032 0.000 0.228 444 L C 0.617 177.492 176.870 0.008 0.000 1.133 444 L CA 0.168 55.013 54.840 0.008 0.000 0.880 444 L CB -0.333 41.732 42.059 0.009 0.000 1.033 444 L HN 0.305 nan 8.230 nan 0.000 0.450 445 E N 0.219 120.424 120.200 0.009 0.000 2.338 445 E HA 0.179 4.510 4.350 -0.032 0.000 0.272 445 E C 0.104 176.707 176.600 0.006 0.000 1.029 445 E CA -0.384 56.021 56.400 0.008 0.000 0.872 445 E CB 2.176 31.882 29.700 0.009 0.000 1.015 445 E HN -0.064 nan 8.360 nan 0.000 0.417 446 V N 2.740 122.657 119.914 0.006 0.000 6.065 446 V HA 0.389 4.489 4.120 -0.032 0.000 0.162 446 V C 0.274 176.370 176.094 0.004 0.000 1.533 446 V CA -0.133 62.169 62.300 0.004 0.000 1.028 446 V CB 0.355 32.181 31.823 0.004 0.000 1.556 446 V HN 0.637 nan 8.190 nan 0.000 0.361 447 R N 0.000 120.502 120.500 0.004 0.000 2.786 447 R HA 0.000 4.321 4.340 -0.032 0.000 0.208 447 R CA 0.000 56.102 56.100 0.004 0.000 0.921 447 R CB 0.000 30.302 30.300 0.004 0.000 0.687 447 R HN 0.000 nan 8.270 nan 0.000 0.535