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 3l2g_1_K DATA FIRST_RESID 24 DATA SEQUENCE KFKAADNFPD LSKHNNVMAS QLTKELYEKY WDKVTPNGVT FDKCIQTGVD DATA SEQUENCE NPGNKFYGKK TGCVFGDEYS YECYKEFFDK CIEEIHHFKP SDKHPAPDLD DATA SEQUENCE HNKLVGGVFE DKYVKSCRIR CGRSVKGVCL PPAMSRAERR LVEKVVSDAL DATA SEQUENCE GGLKGDLAGK YYPLTTMNEK DQEQLIEDHF LFEKPTGALL TTSGCARDWP DATA SEQUENCE DGRGIWHNNE KNFLVWINEE DHIRVISMQK GGDLKAVFSR FARGLLEVER DATA SEQUENCE LMKECGHGLM HNDRLGYICT CPTNMGTVVR ASVHLRLAFL EKHPRFDEML DATA SEQUENCE GKLRLGKRGT GGESSLATDS TYDISNWARL GKSERELVQV LVDGVNLLIA DATA SEQUENCE CDKKLEAGQS IDDMIPK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 24 K HA 0.000 nan 4.320 nan 0.000 0.191 24 K C 0.000 176.397 176.600 -0.339 0.000 0.988 24 K CA 0.000 56.136 56.287 -0.252 0.000 0.838 24 K CB 0.000 32.238 32.500 -0.436 0.000 1.064 25 F N 3.849 123.895 119.950 0.161 0.000 2.427 25 F HA 0.466 4.993 4.527 -0.000 0.000 0.348 25 F C 0.246 176.174 175.800 0.212 0.000 1.125 25 F CA -0.813 57.291 58.000 0.174 0.000 0.989 25 F CB 1.585 40.718 39.000 0.222 0.000 1.165 25 F HN -0.188 nan 8.300 nan 0.000 0.442 26 K N 1.405 121.948 120.400 0.238 0.000 2.234 26 K HA 0.325 4.645 4.320 -0.000 0.000 0.251 26 K C 1.114 177.546 176.600 -0.280 0.000 1.011 26 K CA 0.208 56.538 56.287 0.072 0.000 0.889 26 K CB 0.459 32.963 32.500 0.006 0.000 1.011 26 K HN 0.721 nan 8.250 nan 0.000 0.505 27 A N 1.447 123.907 122.820 -0.600 0.000 1.883 27 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 27 A C 2.224 179.487 177.584 -0.536 0.000 1.186 27 A CA 2.193 53.447 52.037 -1.304 0.000 0.624 27 A CB -1.011 17.367 19.000 -1.036 0.000 0.822 27 A HN 0.804 nan 8.150 nan 0.000 0.444 28 A N -0.423 122.228 122.820 -0.281 0.000 2.125 28 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 28 A C 1.504 179.045 177.584 -0.071 0.000 1.156 28 A CA 1.615 53.568 52.037 -0.139 0.000 0.671 28 A CB -0.483 18.441 19.000 -0.126 0.000 0.794 28 A HN 0.482 nan 8.150 nan 0.000 0.459 29 D N -0.748 119.600 120.400 -0.087 0.000 2.312 29 D HA -0.065 4.575 4.640 -0.000 0.000 0.211 29 D C 1.298 177.543 176.300 -0.091 0.000 0.964 29 D CA 0.998 54.988 54.000 -0.017 0.000 0.877 29 D CB -0.059 40.834 40.800 0.156 0.000 0.924 29 D HN 0.508 nan 8.370 nan 0.000 0.515 30 N N -1.047 117.576 118.700 -0.129 0.000 2.273 30 N HA 0.008 4.748 4.740 -0.000 0.000 0.192 30 N C -0.194 175.251 175.510 -0.109 0.000 1.132 30 N CA -0.376 52.633 53.050 -0.067 0.000 0.887 30 N CB 0.302 38.833 38.487 0.073 0.000 1.048 30 N HN -0.120 nan 8.380 nan 0.000 0.490 31 F N 3.963 123.693 119.950 -0.366 0.000 2.579 31 F HA 0.054 4.581 4.527 -0.000 0.000 0.397 31 F C -1.743 173.786 175.800 -0.453 0.000 1.027 31 F CA -1.893 55.720 58.000 -0.646 0.000 1.217 31 F CB 0.138 38.893 39.000 -0.408 0.000 0.986 31 F HN 0.122 nan 8.300 nan 0.000 0.551 32 P HA 0.080 nan 4.420 nan 0.000 0.277 32 P C -1.166 175.675 177.300 -0.766 0.000 1.240 32 P CA -0.385 62.285 63.100 -0.717 0.000 0.798 32 P CB 0.824 32.132 31.700 -0.654 0.000 0.979 33 D N 1.935 122.054 120.400 -0.468 0.000 2.396 33 D HA 0.198 4.838 4.640 -0.000 0.000 0.225 33 D C -0.022 176.042 176.300 -0.395 0.000 1.121 33 D CA -0.238 53.550 54.000 -0.354 0.000 0.853 33 D CB 0.028 40.721 40.800 -0.178 0.000 1.043 33 D HN 0.230 nan 8.370 nan 0.000 0.500 34 L N 3.026 123.983 121.223 -0.442 0.000 3.108 34 L HA 0.178 4.518 4.340 -0.000 0.000 0.251 34 L C 1.806 178.675 176.870 -0.001 0.000 1.315 34 L CA -0.366 54.150 54.840 -0.540 0.000 1.048 34 L CB 0.278 41.973 42.059 -0.607 0.000 1.432 34 L HN 0.180 nan 8.230 nan 0.000 0.543 35 S N 0.931 116.667 115.700 0.061 0.000 2.359 35 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 35 S C 1.556 176.223 174.600 0.113 0.000 1.039 35 S CA 1.683 59.926 58.200 0.072 0.000 1.042 35 S CB -0.048 63.174 63.200 0.037 0.000 0.915 35 S HN 0.532 nan 8.310 nan 0.000 0.439 36 K N 0.661 121.158 120.400 0.162 0.000 2.446 36 K HA 0.173 4.493 4.320 -0.000 0.000 0.203 36 K C -0.707 175.840 176.600 -0.087 0.000 1.027 36 K CA -0.005 56.279 56.287 -0.005 0.000 1.166 36 K CB 0.177 32.614 32.500 -0.105 0.000 0.869 36 K HN 0.378 nan 8.250 nan 0.000 0.504 37 H N 0.915 119.963 119.070 -0.037 0.000 2.489 37 H HA 0.182 4.738 4.556 -0.000 0.000 0.322 37 H C -0.760 174.561 175.328 -0.011 0.000 1.091 37 H CA -0.626 55.404 56.048 -0.031 0.000 1.291 37 H CB 0.895 30.629 29.762 -0.046 0.000 1.436 37 H HN 0.054 nan 8.280 nan 0.000 0.480 38 N N 2.969 121.709 118.700 0.067 0.000 2.776 38 N HA 0.164 4.904 4.740 -0.000 0.000 0.245 38 N C -1.484 174.067 175.510 0.069 0.000 1.121 38 N CA -0.605 52.478 53.050 0.055 0.000 0.852 38 N CB 0.109 38.608 38.487 0.019 0.000 1.142 38 N HN 0.795 nan 8.380 nan 0.000 0.514 39 N N -0.284 118.471 118.700 0.092 0.000 2.961 39 N HA 0.105 4.845 4.740 -0.000 0.000 0.245 39 N C 0.124 175.699 175.510 0.108 0.000 1.404 39 N CA -0.882 52.226 53.050 0.098 0.000 0.880 39 N CB 0.719 39.264 38.487 0.098 0.000 1.461 39 N HN -0.125 nan 8.380 nan 0.000 0.510 40 V N -0.104 119.880 119.914 0.117 0.000 2.392 40 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 40 V C 2.398 178.585 176.094 0.155 0.000 1.059 40 V CA 2.018 64.394 62.300 0.126 0.000 1.051 40 V CB -0.753 31.142 31.823 0.120 0.000 0.658 40 V HN 0.806 nan 8.190 nan 0.000 0.455 41 M N 0.771 120.476 119.600 0.176 0.000 2.065 41 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 41 M C 2.291 178.705 176.300 0.190 0.000 1.069 41 M CA 2.752 58.205 55.300 0.255 0.000 1.110 41 M CB -0.897 31.814 32.600 0.184 0.000 1.328 41 M HN 0.334 nan 8.290 nan 0.000 0.405 42 A N -0.379 122.497 122.820 0.093 0.000 1.892 42 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 42 A C 2.306 179.944 177.584 0.089 0.000 1.188 42 A CA 2.521 54.580 52.037 0.038 0.000 0.631 42 A CB -1.208 17.811 19.000 0.031 0.000 0.822 42 A HN 0.648 nan 8.150 nan 0.000 0.447 43 S N -0.744 115.023 115.700 0.111 0.000 2.383 43 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 43 S C 1.979 176.664 174.600 0.141 0.000 1.030 43 S CA 1.487 59.754 58.200 0.112 0.000 1.002 43 S CB -0.198 63.064 63.200 0.102 0.000 0.829 43 S HN 0.612 nan 8.310 nan 0.000 0.467 44 Q N -0.201 119.712 119.800 0.189 0.000 2.408 44 Q HA 0.291 4.631 4.340 -0.000 0.000 0.205 44 Q C 0.031 176.220 176.000 0.315 0.000 0.919 44 Q CA 0.001 55.938 55.803 0.224 0.000 0.932 44 Q CB -0.203 28.648 28.738 0.190 0.000 1.058 44 Q HN 0.367 nan 8.270 nan 0.000 0.517 45 L N 2.224 123.636 121.223 0.315 0.000 2.281 45 L HA 0.263 4.603 4.340 -0.000 0.000 0.285 45 L C 0.004 177.046 176.870 0.285 0.000 1.074 45 L CA 0.157 55.191 54.840 0.323 0.000 0.817 45 L CB 1.097 43.288 42.059 0.220 0.000 1.168 45 L HN 0.029 nan 8.230 nan 0.000 0.434 46 T N 0.755 115.464 114.554 0.258 0.000 2.932 46 T HA 0.411 4.761 4.350 -0.000 0.000 0.289 46 T C 0.908 175.602 174.700 -0.010 0.000 1.039 46 T CA -0.787 61.402 62.100 0.148 0.000 1.024 46 T CB 1.374 70.289 68.868 0.080 0.000 1.090 46 T HN 0.663 nan 8.240 nan 0.000 0.496 47 K N 0.621 120.821 120.400 -0.334 0.000 2.152 47 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 47 K C 2.002 178.408 176.600 -0.323 0.000 1.048 47 K CA 1.469 57.308 56.287 -0.746 0.000 0.933 47 K CB -0.080 31.983 32.500 -0.728 0.000 0.721 47 K HN 0.765 nan 8.250 nan 0.000 0.447 48 E N 1.404 121.498 120.200 -0.178 0.000 2.031 48 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 48 E C 2.111 178.634 176.600 -0.128 0.000 0.994 48 E CA 0.987 57.309 56.400 -0.129 0.000 0.800 48 E CB -0.000 29.651 29.700 -0.082 0.000 0.752 48 E HN 0.256 nan 8.360 nan 0.000 0.447 49 L N 0.009 121.193 121.223 -0.064 0.000 2.093 49 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 49 L C 2.576 179.393 176.870 -0.088 0.000 1.085 49 L CA 1.172 55.962 54.840 -0.084 0.000 0.755 49 L CB -0.469 41.662 42.059 0.119 0.000 0.904 49 L HN 0.255 nan 8.230 nan 0.000 0.435 50 Y N 0.748 121.017 120.300 -0.051 0.000 2.114 50 Y HA -0.299 4.251 4.550 -0.000 0.000 0.284 50 Y C 2.712 178.589 175.900 -0.038 0.000 1.143 50 Y CA 1.798 59.934 58.100 0.059 0.000 1.135 50 Y CB -0.174 38.391 38.460 0.175 0.000 0.980 50 Y HN 0.130 nan 8.280 nan 0.000 0.499 51 E N 0.953 121.072 120.200 -0.134 0.000 2.147 51 E HA -0.322 4.028 4.350 -0.000 0.000 0.199 51 E C 2.096 178.628 176.600 -0.114 0.000 1.005 51 E CA 1.907 58.194 56.400 -0.188 0.000 0.810 51 E CB -0.270 29.331 29.700 -0.166 0.000 0.736 51 E HN 0.562 nan 8.360 nan 0.000 0.460 52 K N -1.258 118.991 120.400 -0.252 0.000 2.167 52 K HA -0.097 4.223 4.320 -0.000 0.000 0.203 52 K C 1.458 177.835 176.600 -0.371 0.000 1.052 52 K CA 0.896 56.953 56.287 -0.383 0.000 0.956 52 K CB 0.065 32.163 32.500 -0.669 0.000 0.735 52 K HN 0.207 nan 8.250 nan 0.000 0.451 53 Y N -1.067 119.081 120.300 -0.253 0.000 2.426 53 Y HA 0.013 4.563 4.550 -0.000 0.000 0.249 53 Y C 1.611 177.311 175.900 -0.333 0.000 1.103 53 Y CA -0.757 57.098 58.100 -0.408 0.000 1.256 53 Y CB 0.337 38.184 38.460 -1.021 0.000 1.208 53 Y HN 0.247 nan 8.280 nan 0.000 0.519 54 W N 2.224 123.276 121.300 -0.414 0.000 2.468 54 W HA -0.105 4.555 4.660 -0.000 0.000 0.262 54 W C -0.074 176.368 176.519 -0.127 0.000 1.241 54 W CA 1.515 58.622 57.345 -0.396 0.000 1.232 54 W CB -0.402 28.514 29.460 -0.906 0.000 1.124 54 W HN 0.318 nan 8.180 nan 0.000 0.597 55 D N -0.174 119.923 120.400 -0.506 0.000 2.599 55 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 55 D C -0.354 175.842 176.300 -0.173 0.000 1.313 55 D CA -0.270 53.407 54.000 -0.539 0.000 0.815 55 D CB -0.530 39.822 40.800 -0.747 0.000 1.077 55 D HN -0.006 nan 8.370 nan 0.000 0.492 56 K N 0.289 120.688 120.400 -0.002 0.000 2.110 56 K HA 0.588 4.908 4.320 -0.000 0.000 0.263 56 K C -1.139 175.569 176.600 0.180 0.000 0.975 56 K CA -0.662 55.694 56.287 0.116 0.000 0.895 56 K CB 1.671 34.322 32.500 0.251 0.000 1.060 56 K HN -0.122 nan 8.250 nan 0.000 0.448 57 V N 1.974 121.955 119.914 0.111 0.000 2.971 57 V HA 0.246 4.366 4.120 -0.000 0.000 0.309 57 V C -0.328 175.794 176.094 0.046 0.000 1.130 57 V CA -1.043 61.327 62.300 0.117 0.000 0.964 57 V CB 2.091 33.940 31.823 0.042 0.000 1.029 57 V HN 1.041 nan 8.190 nan 0.000 0.427 58 T N 1.089 115.682 114.554 0.065 0.000 2.868 58 T HA 0.273 4.623 4.350 -0.000 0.000 0.292 58 T C -1.874 172.747 174.700 -0.132 0.000 1.028 58 T CA -1.514 60.563 62.100 -0.038 0.000 1.059 58 T CB 0.921 69.825 68.868 0.058 0.000 0.991 58 T HN 0.487 nan 8.240 nan 0.000 0.531 59 P HA -0.053 nan 4.420 nan 0.000 0.227 59 P C 0.758 177.942 177.300 -0.194 0.000 1.145 59 P CA 0.819 63.702 63.100 -0.362 0.000 0.769 59 P CB 0.006 31.230 31.700 -0.793 0.000 0.769 60 N N -2.620 116.021 118.700 -0.098 0.000 2.332 60 N HA 0.118 4.858 4.740 -0.000 0.000 0.190 60 N C 1.238 176.766 175.510 0.030 0.000 1.117 60 N CA 1.043 54.097 53.050 0.006 0.000 0.883 60 N CB 0.560 39.098 38.487 0.085 0.000 1.089 60 N HN 0.117 nan 8.380 nan 0.000 0.480 61 G N 0.751 109.570 108.800 0.032 0.000 2.138 61 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.193 61 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.193 61 G C -0.122 174.830 174.900 0.087 0.000 0.998 61 G CA -0.111 45.017 45.100 0.047 0.000 0.668 61 G HN 0.116 nan 8.290 nan 0.000 0.516 62 V N 1.919 121.911 119.914 0.131 0.000 2.740 62 V HA 0.543 4.663 4.120 -0.000 0.000 0.303 62 V C 1.237 177.464 176.094 0.223 0.000 1.054 62 V CA 0.878 63.288 62.300 0.184 0.000 1.106 62 V CB 1.241 33.217 31.823 0.255 0.000 0.957 62 V HN 0.843 nan 8.190 nan 0.000 0.486 63 T N 1.544 116.205 114.554 0.180 0.000 2.918 63 T HA 0.426 4.776 4.350 -0.000 0.000 0.286 63 T C 0.650 175.413 174.700 0.105 0.000 1.026 63 T CA -0.509 61.683 62.100 0.154 0.000 1.031 63 T CB 1.182 70.094 68.868 0.073 0.000 1.046 63 T HN 0.302 nan 8.240 nan 0.000 0.479 64 F N 1.715 121.522 119.950 -0.239 0.000 2.065 64 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 64 F C 1.826 177.501 175.800 -0.209 0.000 1.112 64 F CA 1.910 59.584 58.000 -0.543 0.000 1.212 64 F CB -0.675 37.993 39.000 -0.554 0.000 0.975 64 F HN 0.658 nan 8.300 nan 0.000 0.476 65 D N 0.004 120.378 120.400 -0.044 0.000 2.315 65 D HA -0.170 4.470 4.640 -0.000 0.000 0.211 65 D C 2.233 178.485 176.300 -0.080 0.000 0.977 65 D CA 0.738 54.708 54.000 -0.050 0.000 0.894 65 D CB -0.185 40.673 40.800 0.096 0.000 0.910 65 D HN 0.238 nan 8.370 nan 0.000 0.490 66 K N 0.127 120.501 120.400 -0.044 0.000 2.098 66 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 66 K C 2.063 178.651 176.600 -0.020 0.000 1.051 66 K CA 0.201 56.488 56.287 -0.001 0.000 0.957 66 K CB -0.462 32.077 32.500 0.065 0.000 0.738 66 K HN 0.152 nan 8.250 nan 0.000 0.447 67 C N 0.786 120.055 119.300 -0.052 0.000 2.422 67 C HA -0.073 4.387 4.460 -0.000 0.000 0.279 67 C C 2.348 177.263 174.990 -0.125 0.000 1.305 67 C CA 0.758 59.772 59.018 -0.007 0.000 1.757 67 C CB -0.724 27.082 27.740 0.111 0.000 1.962 67 C HN 0.539 nan 8.230 nan 0.000 0.499 68 I N -1.657 118.715 120.570 -0.330 0.000 4.018 68 I HA 0.179 4.349 4.170 -0.000 0.000 0.337 68 I C 2.009 178.010 176.117 -0.193 0.000 1.327 68 I CA 0.467 61.573 61.300 -0.322 0.000 1.100 68 I CB -0.649 36.985 38.000 -0.609 0.000 1.025 68 I HN 0.029 nan 8.210 nan 0.000 0.396 69 Q N 1.482 121.198 119.800 -0.140 0.000 2.226 69 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 69 Q C 2.163 178.130 176.000 -0.055 0.000 0.975 69 Q CA 2.176 57.925 55.803 -0.091 0.000 0.866 69 Q CB -0.316 28.388 28.738 -0.057 0.000 0.915 69 Q HN 0.512 nan 8.270 nan 0.000 0.440 70 T N -2.078 112.454 114.554 -0.036 0.000 3.088 70 T HA 0.101 4.451 4.350 -0.000 0.000 0.259 70 T C 1.247 175.949 174.700 0.004 0.000 1.122 70 T CA 0.956 63.050 62.100 -0.010 0.000 1.095 70 T CB -0.171 68.698 68.868 0.002 0.000 0.930 70 T HN 0.470 nan 8.240 nan 0.000 0.508 71 G N -0.008 108.789 108.800 -0.005 0.000 2.595 71 G HA2 0.057 4.017 3.960 -0.000 0.000 0.213 71 G HA3 0.057 4.017 3.960 -0.000 0.000 0.213 71 G C 1.490 176.413 174.900 0.039 0.000 1.141 71 G CA 0.377 45.493 45.100 0.026 0.000 0.806 71 G HN 0.461 nan 8.290 nan 0.000 0.530 72 V N 1.141 121.031 119.914 -0.040 0.000 2.719 72 V HA -0.051 4.069 4.120 -0.000 0.000 0.252 72 V C 2.100 178.228 176.094 0.057 0.000 1.065 72 V CA 1.744 63.999 62.300 -0.075 0.000 1.086 72 V CB -0.028 31.694 31.823 -0.168 0.000 0.700 72 V HN 0.194 nan 8.190 nan 0.000 0.467 73 D N -0.106 120.312 120.400 0.029 0.000 2.305 73 D HA 0.017 4.657 4.640 -0.000 0.000 0.206 73 D C 0.689 177.004 176.300 0.024 0.000 0.974 73 D CA 0.596 54.611 54.000 0.024 0.000 0.871 73 D CB -0.027 40.772 40.800 -0.001 0.000 0.947 73 D HN 0.391 nan 8.370 nan 0.000 0.516 74 N N 1.426 120.151 118.700 0.041 0.000 2.976 74 N HA 0.131 4.871 4.740 -0.000 0.000 0.255 74 N C -2.011 173.497 175.510 -0.003 0.000 1.312 74 N CA -0.983 52.072 53.050 0.008 0.000 0.897 74 N CB 1.969 40.467 38.487 0.017 0.000 1.184 74 N HN 0.062 nan 8.380 nan 0.000 0.497 75 P HA -0.028 nan 4.420 nan 0.000 0.223 75 P C 0.622 177.820 177.300 -0.170 0.000 1.151 75 P CA 0.844 63.735 63.100 -0.348 0.000 0.787 75 P CB 0.630 31.812 31.700 -0.863 0.000 0.788 76 G N -0.286 108.443 108.800 -0.119 0.000 2.619 76 G HA2 0.456 4.416 3.960 -0.000 0.000 0.296 76 G HA3 0.456 4.416 3.960 -0.000 0.000 0.296 76 G C -1.763 173.102 174.900 -0.058 0.000 1.334 76 G CA -0.339 44.709 45.100 -0.087 0.000 0.934 76 G HN -0.050 nan 8.290 nan 0.000 0.476 77 N N -0.062 118.606 118.700 -0.053 0.000 2.504 77 N HA 0.220 4.960 4.740 -0.000 0.000 0.280 77 N C 0.855 176.277 175.510 -0.145 0.000 1.052 77 N CA -0.687 52.337 53.050 -0.044 0.000 0.887 77 N CB 1.861 40.373 38.487 0.042 0.000 1.323 77 N HN 0.432 nan 8.380 nan 0.000 0.509 78 K N 1.702 121.902 120.400 -0.333 0.000 2.360 78 K HA -0.035 4.285 4.320 -0.000 0.000 0.201 78 K C -0.057 176.093 176.600 -0.749 0.000 1.046 78 K CA 1.196 57.107 56.287 -0.626 0.000 0.940 78 K CB -0.053 31.870 32.500 -0.961 0.000 0.748 78 K HN 0.390 nan 8.250 nan 0.000 0.465 79 F N -1.011 118.859 119.950 -0.134 0.000 2.695 79 F HA 0.303 4.830 4.527 -0.000 0.000 0.392 79 F C 0.669 176.364 175.800 -0.174 0.000 1.209 79 F CA -1.461 56.375 58.000 -0.274 0.000 1.138 79 F CB -0.159 38.690 39.000 -0.251 0.000 1.557 79 F HN -0.233 nan 8.300 nan 0.000 0.496 80 Y N -0.047 120.418 120.300 0.275 0.000 2.301 80 Y HA 0.485 5.035 4.550 -0.000 0.000 0.328 80 Y C 0.776 176.755 175.900 0.133 0.000 1.242 80 Y CA -0.280 57.908 58.100 0.146 0.000 1.323 80 Y CB 0.227 38.762 38.460 0.124 0.000 1.266 80 Y HN 0.754 nan 8.280 nan 0.000 0.527 81 G N 1.654 110.597 108.800 0.238 0.000 2.690 81 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 81 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 81 G C -1.390 173.590 174.900 0.133 0.000 1.277 81 G CA -0.961 44.241 45.100 0.169 0.000 0.799 81 G HN 0.704 nan 8.290 nan 0.000 0.613 82 K N 0.584 121.051 120.400 0.112 0.000 2.143 82 K HA 0.495 4.815 4.320 -0.000 0.000 0.272 82 K C 0.072 176.784 176.600 0.186 0.000 1.001 82 K CA -0.855 55.500 56.287 0.115 0.000 0.915 82 K CB 0.524 33.064 32.500 0.068 0.000 1.047 82 K HN 0.342 nan 8.250 nan 0.000 0.458 83 K N 1.736 122.219 120.400 0.138 0.000 2.098 83 K HA 0.174 4.494 4.320 -0.000 0.000 0.258 83 K C 0.848 177.517 176.600 0.116 0.000 0.973 83 K CA -0.348 56.016 56.287 0.128 0.000 0.898 83 K CB 1.641 34.200 32.500 0.098 0.000 1.057 83 K HN 0.652 nan 8.250 nan 0.000 0.447 84 T N -0.054 114.556 114.554 0.093 0.000 2.698 84 T HA -0.009 4.341 4.350 -0.000 0.000 0.260 84 T C 0.947 175.704 174.700 0.093 0.000 1.044 84 T CA 1.425 63.574 62.100 0.082 0.000 1.149 84 T CB -0.246 68.643 68.868 0.034 0.000 0.864 84 T HN 0.851 nan 8.240 nan 0.000 0.419 85 G N 0.892 109.737 108.800 0.076 0.000 2.130 85 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 85 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 85 G C 0.234 175.178 174.900 0.074 0.000 0.999 85 G CA -0.114 45.030 45.100 0.073 0.000 0.686 85 G HN 1.216 nan 8.290 nan 0.000 0.515 86 C N -2.129 117.218 119.300 0.079 0.000 3.275 86 C HA 0.943 5.403 4.460 -0.000 0.000 0.340 86 C C -0.145 174.872 174.990 0.046 0.000 1.366 86 C CA -0.211 58.867 59.018 0.100 0.000 1.227 86 C CB 1.627 29.531 27.740 0.273 0.000 1.512 86 C HN 1.950 nan 8.230 nan 0.000 0.461 87 V N -2.313 117.632 119.914 0.052 0.000 3.188 87 V HA 0.764 4.884 4.120 -0.000 0.000 0.305 87 V C -0.832 175.245 176.094 -0.029 0.000 1.232 87 V CA -0.834 61.430 62.300 -0.060 0.000 1.043 87 V CB 1.571 33.402 31.823 0.014 0.000 1.068 87 V HN 0.969 nan 8.190 nan 0.000 0.439 88 F N 0.896 120.905 119.950 0.098 0.000 2.394 88 F HA 0.664 5.191 4.527 -0.000 0.000 0.340 88 F C 1.585 177.461 175.800 0.126 0.000 1.105 88 F CA 0.295 58.359 58.000 0.106 0.000 1.124 88 F CB 1.990 40.973 39.000 -0.028 0.000 1.145 88 F HN 0.785 nan 8.300 nan 0.000 0.505 89 G N 0.811 109.843 108.800 0.388 0.000 2.539 89 G HA2 0.117 4.077 3.960 -0.000 0.000 0.215 89 G HA3 0.117 4.077 3.960 -0.000 0.000 0.215 89 G C -0.439 174.594 174.900 0.222 0.000 1.141 89 G CA 0.511 45.770 45.100 0.265 0.000 0.806 89 G HN 0.697 nan 8.290 nan 0.000 0.533 90 D N -2.599 117.941 120.400 0.235 0.000 2.970 90 D HA 0.058 4.698 4.640 -0.000 0.000 0.344 90 D C 0.694 177.029 176.300 0.058 0.000 1.365 90 D CA -0.609 53.488 54.000 0.162 0.000 0.910 90 D CB 0.252 41.188 40.800 0.226 0.000 1.445 90 D HN -0.090 nan 8.370 nan 0.000 0.532 91 E N -1.279 118.893 120.200 -0.048 0.000 2.160 91 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 91 E C 0.985 177.402 176.600 -0.304 0.000 0.991 91 E CA 1.236 57.483 56.400 -0.254 0.000 0.810 91 E CB -0.111 29.354 29.700 -0.391 0.000 0.742 91 E HN 0.466 nan 8.360 nan 0.000 0.466 92 Y N -0.240 120.048 120.300 -0.019 0.000 2.365 92 Y HA -0.018 4.532 4.550 -0.000 0.000 0.293 92 Y C 2.648 178.514 175.900 -0.058 0.000 1.119 92 Y CA 0.761 58.840 58.100 -0.036 0.000 1.203 92 Y CB 0.062 38.505 38.460 -0.027 0.000 1.026 92 Y HN -0.005 nan 8.280 nan 0.000 0.549 93 S N -0.010 115.788 115.700 0.164 0.000 2.392 93 S HA -0.324 4.146 4.470 -0.000 0.000 0.232 93 S C 1.739 176.508 174.600 0.282 0.000 1.041 93 S CA 1.884 60.240 58.200 0.260 0.000 1.026 93 S CB -0.824 62.721 63.200 0.575 0.000 0.845 93 S HN 0.623 nan 8.310 nan 0.000 0.465 94 Y N 2.264 122.505 120.300 -0.100 0.000 2.030 94 Y HA -0.227 4.323 4.550 -0.000 0.000 0.274 94 Y C 2.417 178.384 175.900 0.112 0.000 1.153 94 Y CA 2.002 60.040 58.100 -0.105 0.000 1.115 94 Y CB -0.335 37.819 38.460 -0.509 0.000 0.969 94 Y HN 0.208 nan 8.280 nan 0.000 0.488 95 E N -0.738 119.342 120.200 -0.201 0.000 2.106 95 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 95 E C 2.393 178.838 176.600 -0.259 0.000 0.984 95 E CA 1.049 57.287 56.400 -0.270 0.000 0.806 95 E CB -0.592 29.102 29.700 -0.011 0.000 0.750 95 E HN 0.576 nan 8.360 nan 0.000 0.458 96 C N 0.387 119.501 119.300 -0.310 0.000 2.413 96 C HA -0.174 4.286 4.460 -0.000 0.000 0.276 96 C C 1.594 176.131 174.990 -0.756 0.000 1.248 96 C CA 0.754 59.444 59.018 -0.546 0.000 1.742 96 C CB -0.846 26.405 27.740 -0.815 0.000 2.017 96 C HN 0.378 nan 8.230 nan 0.000 0.481 97 Y N 0.083 120.211 120.300 -0.287 0.000 2.764 97 Y HA 0.266 4.816 4.550 -0.000 0.000 0.350 97 Y C 1.554 177.215 175.900 -0.399 0.000 0.982 97 Y CA -0.276 57.320 58.100 -0.839 0.000 1.431 97 Y CB -0.335 37.820 38.460 -0.509 0.000 1.326 97 Y HN 0.259 nan 8.280 nan 0.000 0.550 98 K N 1.457 121.741 120.400 -0.193 0.000 2.211 98 K HA -0.208 4.112 4.320 -0.000 0.000 0.203 98 K C 1.777 178.436 176.600 0.098 0.000 1.050 98 K CA 1.553 57.762 56.287 -0.131 0.000 0.945 98 K CB 0.222 32.559 32.500 -0.272 0.000 0.732 98 K HN 0.550 nan 8.250 nan 0.000 0.451 99 E N -0.390 119.960 120.200 0.249 0.000 2.274 99 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 99 E C 1.587 178.378 176.600 0.318 0.000 0.996 99 E CA 0.599 57.172 56.400 0.288 0.000 0.840 99 E CB -0.085 29.799 29.700 0.308 0.000 0.772 99 E HN 0.418 nan 8.360 nan 0.000 0.491 100 F N -0.349 119.730 119.950 0.214 0.000 2.262 100 F HA 0.063 4.590 4.527 -0.000 0.000 0.292 100 F C 1.315 177.208 175.800 0.154 0.000 1.081 100 F CA 0.632 58.723 58.000 0.152 0.000 1.355 100 F CB -0.239 38.833 39.000 0.120 0.000 1.069 100 F HN -0.059 nan 8.300 nan 0.000 0.506 101 F N 1.309 121.171 119.950 -0.147 0.000 2.407 101 F HA -0.045 4.482 4.527 -0.000 0.000 0.299 101 F C 1.987 177.789 175.800 0.003 0.000 1.097 101 F CA 1.059 58.936 58.000 -0.205 0.000 1.422 101 F CB -0.975 38.150 39.000 0.208 0.000 1.067 101 F HN 0.018 nan 8.300 nan 0.000 0.539 102 D N -0.083 120.466 120.400 0.248 0.000 2.224 102 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 102 D C 2.031 178.443 176.300 0.185 0.000 0.965 102 D CA 0.984 55.138 54.000 0.256 0.000 0.852 102 D CB -0.071 40.863 40.800 0.223 0.000 0.947 102 D HN 0.250 nan 8.370 nan 0.000 0.494 103 K N -0.390 120.075 120.400 0.108 0.000 2.186 103 K HA 0.039 4.359 4.320 -0.000 0.000 0.202 103 K C 2.146 178.792 176.600 0.077 0.000 1.052 103 K CA 0.398 56.744 56.287 0.098 0.000 0.965 103 K CB -0.038 32.522 32.500 0.098 0.000 0.746 103 K HN 0.161 nan 8.250 nan 0.000 0.457 104 C N 1.326 120.620 119.300 -0.010 0.000 2.446 104 C HA 0.003 4.463 4.460 -0.000 0.000 0.277 104 C C 2.573 177.635 174.990 0.120 0.000 1.275 104 C CA 0.322 59.344 59.018 0.007 0.000 1.727 104 C CB -0.607 27.067 27.740 -0.111 0.000 2.010 104 C HN 0.382 nan 8.230 nan 0.000 0.486 105 I N 0.722 121.408 120.570 0.193 0.000 2.286 105 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 105 I C 2.642 178.947 176.117 0.314 0.000 1.115 105 I CA 1.617 63.092 61.300 0.292 0.000 1.392 105 I CB -0.447 37.754 38.000 0.334 0.000 1.065 105 I HN 0.473 nan 8.210 nan 0.000 0.418 106 E N 0.659 121.016 120.200 0.262 0.000 2.216 106 E HA -0.240 4.110 4.350 -0.000 0.000 0.192 106 E C 2.020 178.776 176.600 0.260 0.000 0.988 106 E CA 0.648 57.211 56.400 0.270 0.000 0.834 106 E CB 0.185 30.013 29.700 0.212 0.000 0.772 106 E HN 0.475 nan 8.360 nan 0.000 0.479 107 E N 0.376 120.695 120.200 0.198 0.000 2.046 107 E HA -0.158 4.192 4.350 -0.000 0.000 0.190 107 E C 1.922 178.608 176.600 0.144 0.000 0.982 107 E CA 1.098 57.607 56.400 0.181 0.000 0.800 107 E CB -0.007 29.778 29.700 0.142 0.000 0.756 107 E HN 0.285 nan 8.360 nan 0.000 0.449 108 I N 0.482 121.103 120.570 0.086 0.000 2.141 108 I HA -0.212 3.958 4.170 -0.000 0.000 0.236 108 I C 2.235 178.255 176.117 -0.162 0.000 1.071 108 I CA 1.117 62.401 61.300 -0.028 0.000 1.345 108 I CB -0.355 37.408 38.000 -0.394 0.000 1.066 108 I HN 0.220 nan 8.210 nan 0.000 0.406 109 H N -0.249 118.848 119.070 0.045 0.000 2.553 109 H HA 0.104 4.660 4.556 -0.000 0.000 0.265 109 H C -0.122 175.278 175.328 0.119 0.000 0.964 109 H CA 0.206 56.272 56.048 0.029 0.000 1.156 109 H CB 0.124 29.903 29.762 0.028 0.000 1.411 109 H HN 0.351 nan 8.280 nan 0.000 0.558 110 H N -0.906 118.351 119.070 0.311 0.000 2.748 110 H HA -0.202 4.354 4.556 -0.000 0.000 0.322 110 H C -0.771 174.741 175.328 0.308 0.000 1.208 110 H CA 0.689 56.886 56.048 0.248 0.000 1.151 110 H CB -2.615 27.261 29.762 0.190 0.000 1.505 110 H HN 0.296 nan 8.280 nan 0.000 0.429 111 F N 0.623 120.725 119.950 0.252 0.000 2.547 111 F HA 0.476 5.003 4.527 -0.000 0.000 0.316 111 F C -0.302 175.589 175.800 0.151 0.000 1.121 111 F CA -0.819 57.286 58.000 0.175 0.000 0.911 111 F CB 1.194 40.283 39.000 0.148 0.000 1.179 111 F HN -0.079 nan 8.300 nan 0.000 0.443 112 K N 6.355 126.615 120.400 -0.233 0.000 2.139 112 K HA 0.381 4.701 4.320 -0.000 0.000 0.243 112 K C -2.072 174.445 176.600 -0.138 0.000 0.983 112 K CA -1.817 54.412 56.287 -0.096 0.000 0.890 112 K CB 1.341 33.789 32.500 -0.085 0.000 1.090 112 K HN 0.299 nan 8.250 nan 0.000 0.445 113 P HA -0.139 nan 4.420 nan 0.000 0.229 113 P C 0.432 177.728 177.300 -0.007 0.000 1.150 113 P CA 1.177 64.315 63.100 0.064 0.000 0.765 113 P CB 0.049 31.807 31.700 0.097 0.000 0.783 114 S N -3.149 112.497 115.700 -0.091 0.000 2.554 114 S HA 0.170 4.640 4.470 -0.000 0.000 0.226 114 S C 0.395 174.880 174.600 -0.192 0.000 0.980 114 S CA -0.542 57.601 58.200 -0.096 0.000 0.939 114 S CB -0.024 63.137 63.200 -0.064 0.000 0.832 114 S HN -0.064 nan 8.310 nan 0.000 0.486 115 D N 2.083 122.230 120.400 -0.422 0.000 2.181 115 D HA 0.410 5.050 4.640 -0.000 0.000 0.248 115 D C -0.681 175.381 176.300 -0.397 0.000 1.020 115 D CA -0.216 53.380 54.000 -0.674 0.000 0.891 115 D CB 1.714 41.653 40.800 -1.436 0.000 1.187 115 D HN 0.201 nan 8.370 nan 0.000 0.443 116 K N 1.247 121.626 120.400 -0.035 0.000 2.345 116 K HA 0.204 4.524 4.320 -0.000 0.000 0.255 116 K C -0.756 176.078 176.600 0.390 0.000 0.934 116 K CA -0.686 55.748 56.287 0.245 0.000 0.801 116 K CB 1.224 33.786 32.500 0.104 0.000 1.137 116 K HN 0.387 nan 8.250 nan 0.000 0.424 117 H N 4.501 123.751 119.070 0.299 0.000 2.848 117 H HA 0.179 4.735 4.556 -0.000 0.000 0.341 117 H C -1.994 173.378 175.328 0.074 0.000 1.060 117 H CA -0.839 55.278 56.048 0.115 0.000 1.444 117 H CB 0.766 30.458 29.762 -0.117 0.000 1.446 117 H HN 0.431 nan 8.280 nan 0.000 0.583 118 P HA 0.108 nan 4.420 nan 0.000 0.271 118 P C -0.877 176.308 177.300 -0.191 0.000 1.233 118 P CA -0.488 62.458 63.100 -0.257 0.000 0.789 118 P CB 0.514 32.062 31.700 -0.253 0.000 0.951 119 A N 2.981 125.768 122.820 -0.055 0.000 2.511 119 A HA 0.288 4.608 4.320 -0.000 0.000 0.242 119 A C -1.829 175.766 177.584 0.019 0.000 1.069 119 A CA -0.780 51.262 52.037 0.008 0.000 0.763 119 A CB -1.659 17.352 19.000 0.020 0.000 1.001 119 A HN 0.422 nan 8.150 nan 0.000 0.498 120 P HA 0.094 nan 4.420 nan 0.000 0.267 120 P C -0.685 176.678 177.300 0.105 0.000 1.195 120 P CA 0.519 63.696 63.100 0.129 0.000 0.773 120 P CB 0.392 32.195 31.700 0.171 0.000 0.837 121 D N 1.828 122.311 120.400 0.139 0.000 2.375 121 D HA 0.199 4.839 4.640 -0.000 0.000 0.241 121 D C -0.500 175.943 176.300 0.238 0.000 1.361 121 D CA -0.224 53.863 54.000 0.144 0.000 0.995 121 D CB 0.185 41.054 40.800 0.115 0.000 1.312 121 D HN 0.144 nan 8.370 nan 0.000 0.576 122 L N 1.998 123.343 121.223 0.204 0.000 3.066 122 L HA 0.293 4.633 4.340 -0.000 0.000 0.265 122 L C 0.466 177.372 176.870 0.059 0.000 1.232 122 L CA -0.344 54.633 54.840 0.229 0.000 1.031 122 L CB 0.526 42.693 42.059 0.180 0.000 1.379 122 L HN 0.223 nan 8.230 nan 0.000 0.563 123 D N 0.988 121.433 120.400 0.075 0.000 2.383 123 D HA -0.011 4.629 4.640 -0.000 0.000 0.245 123 D C 1.384 177.640 176.300 -0.073 0.000 1.263 123 D CA -0.022 53.959 54.000 -0.033 0.000 0.936 123 D CB 0.655 41.443 40.800 -0.020 0.000 1.053 123 D HN 0.426 nan 8.370 nan 0.000 0.507 124 H N 1.457 120.357 119.070 -0.282 0.000 2.546 124 H HA 0.093 4.649 4.556 -0.000 0.000 0.277 124 H C 0.913 176.207 175.328 -0.058 0.000 1.004 124 H CA 0.502 56.338 56.048 -0.353 0.000 1.231 124 H CB 0.177 29.546 29.762 -0.655 0.000 1.382 124 H HN 0.175 nan 8.280 nan 0.000 0.580 125 N N 0.984 119.413 118.700 -0.451 0.000 2.416 125 N HA -0.063 4.677 4.740 -0.000 0.000 0.177 125 N C 0.946 176.407 175.510 -0.081 0.000 1.036 125 N CA 0.540 53.435 53.050 -0.259 0.000 0.901 125 N CB 0.135 38.433 38.487 -0.315 0.000 0.976 125 N HN 0.444 nan 8.380 nan 0.000 0.444 126 K N 0.806 121.184 120.400 -0.036 0.000 2.487 126 K HA 0.058 4.378 4.320 -0.000 0.000 0.192 126 K C 0.474 177.113 176.600 0.064 0.000 1.027 126 K CA -0.190 56.107 56.287 0.017 0.000 1.054 126 K CB -0.110 32.407 32.500 0.028 0.000 0.824 126 K HN 0.098 nan 8.250 nan 0.000 0.510 127 L N 1.960 123.247 121.223 0.107 0.000 2.369 127 L HA 0.073 4.413 4.340 -0.000 0.000 0.279 127 L C -0.406 176.506 176.870 0.069 0.000 1.108 127 L CA -0.183 54.733 54.840 0.127 0.000 0.852 127 L CB 0.824 43.019 42.059 0.226 0.000 1.169 127 L HN -0.240 nan 8.230 nan 0.000 0.452 128 V N 7.611 127.555 119.914 0.050 0.000 2.470 128 V HA 0.562 4.682 4.120 -0.000 0.000 0.276 128 V C 1.160 177.262 176.094 0.013 0.000 1.040 128 V CA 0.700 63.016 62.300 0.027 0.000 1.008 128 V CB -0.271 31.569 31.823 0.028 0.000 0.990 128 V HN 1.178 nan 8.190 nan 0.000 0.477 129 G N 4.373 113.162 108.800 -0.018 0.000 2.528 129 G HA2 0.225 4.185 3.960 -0.000 0.000 0.262 129 G HA3 0.225 4.185 3.960 -0.000 0.000 0.262 129 G C 0.797 175.598 174.900 -0.165 0.000 1.200 129 G CA -0.140 44.914 45.100 -0.075 0.000 0.951 129 G HN 2.297 nan 8.290 nan 0.000 0.566 130 G N -3.074 105.491 108.800 -0.391 0.000 2.149 130 G HA2 0.183 4.143 3.960 -0.000 0.000 0.235 130 G HA3 0.183 4.143 3.960 -0.000 0.000 0.235 130 G C 0.086 174.508 174.900 -0.796 0.000 1.018 130 G CA 0.808 45.505 45.100 -0.671 0.000 0.728 130 G HN 1.971 nan 8.290 nan 0.000 0.508 131 V N 0.985 120.418 119.914 -0.802 0.000 2.380 131 V HA 0.506 4.626 4.120 -0.000 0.000 0.268 131 V C 0.152 176.009 176.094 -0.395 0.000 1.008 131 V CA -0.968 61.054 62.300 -0.464 0.000 0.823 131 V CB 0.066 31.774 31.823 -0.192 0.000 1.053 131 V HN 0.309 nan 8.190 nan 0.000 0.446 132 F N 0.572 120.558 119.950 0.059 0.000 2.380 132 F HA 0.414 4.941 4.527 -0.000 0.000 0.325 132 F C 1.094 176.949 175.800 0.091 0.000 1.136 132 F CA -0.580 57.464 58.000 0.074 0.000 1.171 132 F CB 0.613 39.660 39.000 0.079 0.000 1.230 132 F HN 0.315 nan 8.300 nan 0.000 0.554 133 E N 0.665 121.058 120.200 0.321 0.000 2.437 133 E HA -0.098 4.252 4.350 -0.000 0.000 0.263 133 E C -0.008 176.721 176.600 0.216 0.000 1.030 133 E CA 0.007 56.553 56.400 0.243 0.000 0.934 133 E CB 0.551 30.442 29.700 0.317 0.000 0.943 133 E HN 0.626 nan 8.360 nan 0.000 0.444 134 D N 2.065 122.537 120.400 0.119 0.000 2.224 134 D HA -0.125 4.515 4.640 -0.000 0.000 0.205 134 D C 1.605 177.919 176.300 0.023 0.000 0.965 134 D CA 0.904 54.952 54.000 0.079 0.000 0.852 134 D CB 0.142 40.971 40.800 0.047 0.000 0.947 134 D HN 0.366 nan 8.370 nan 0.000 0.494 135 K N -0.603 119.758 120.400 -0.064 0.000 2.211 135 K HA -0.185 4.135 4.320 -0.000 0.000 0.204 135 K C 0.949 177.353 176.600 -0.327 0.000 1.047 135 K CA 1.271 57.399 56.287 -0.265 0.000 0.935 135 K CB 0.019 32.219 32.500 -0.500 0.000 0.728 135 K HN 0.306 nan 8.250 nan 0.000 0.452 136 Y N -0.611 119.726 120.300 0.062 0.000 2.539 136 Y HA 0.174 4.724 4.550 -0.000 0.000 0.284 136 Y C 0.448 176.376 175.900 0.046 0.000 1.134 136 Y CA -0.612 57.519 58.100 0.051 0.000 1.251 136 Y CB 0.846 39.329 38.460 0.039 0.000 1.260 136 Y HN -0.275 nan 8.280 nan 0.000 0.528 137 V N 2.787 122.833 119.914 0.221 0.000 2.364 137 V HA 0.157 4.277 4.120 -0.000 0.000 0.272 137 V C 0.377 176.550 176.094 0.131 0.000 1.036 137 V CA -0.603 61.789 62.300 0.153 0.000 0.880 137 V CB 1.407 33.341 31.823 0.185 0.000 0.991 137 V HN 0.220 nan 8.190 nan 0.000 0.460 138 K N 2.475 122.943 120.400 0.113 0.000 2.242 138 K HA 0.204 4.524 4.320 -0.000 0.000 0.200 138 K C 0.680 177.310 176.600 0.050 0.000 1.050 138 K CA 0.601 56.940 56.287 0.086 0.000 0.981 138 K CB 0.537 33.094 32.500 0.095 0.000 0.795 138 K HN 0.788 nan 8.250 nan 0.000 0.477 139 S N -1.071 114.640 115.700 0.018 0.000 2.588 139 S HA 0.484 4.954 4.470 -0.000 0.000 0.269 139 S C -0.809 173.746 174.600 -0.076 0.000 1.157 139 S CA -1.092 57.071 58.200 -0.062 0.000 0.824 139 S CB 1.472 64.553 63.200 -0.197 0.000 1.126 139 S HN 0.078 nan 8.310 nan 0.000 0.464 140 C N 0.898 120.167 119.300 -0.053 0.000 2.614 140 C HA 0.956 5.416 4.460 -0.000 0.000 0.320 140 C C -0.170 174.785 174.990 -0.059 0.000 1.200 140 C CA -0.468 58.538 59.018 -0.021 0.000 1.700 140 C CB 1.686 29.464 27.740 0.063 0.000 2.275 140 C HN 1.014 nan 8.230 nan 0.000 0.492 141 R N 1.928 122.391 120.500 -0.062 0.000 2.563 141 R HA 0.675 5.015 4.340 -0.000 0.000 0.262 141 R C -2.228 174.017 176.300 -0.093 0.000 1.128 141 R CA -0.369 55.690 56.100 -0.068 0.000 0.969 141 R CB 1.023 31.251 30.300 -0.119 0.000 1.251 141 R HN 0.809 nan 8.270 nan 0.000 0.442 142 I N 3.918 124.423 120.570 -0.109 0.000 2.534 142 I HA 0.486 4.656 4.170 -0.000 0.000 0.288 142 I C -0.415 175.528 176.117 -0.291 0.000 1.077 142 I CA -0.815 60.306 61.300 -0.299 0.000 1.051 142 I CB 2.014 39.702 38.000 -0.520 0.000 1.234 142 I HN 0.438 nan 8.210 nan 0.000 0.425 143 R N 5.779 126.125 120.500 -0.256 0.000 2.803 143 R HA 0.907 5.247 4.340 -0.000 0.000 0.276 143 R C -1.431 174.868 176.300 -0.001 0.000 0.978 143 R CA -0.287 55.770 56.100 -0.072 0.000 0.939 143 R CB 2.330 32.550 30.300 -0.134 0.000 1.179 143 R HN 0.928 nan 8.270 nan 0.000 0.472 144 C N -0.027 119.367 119.300 0.156 0.000 3.173 144 C HA 0.857 5.317 4.460 -0.000 0.000 0.310 144 C C 0.178 175.182 174.990 0.024 0.000 1.306 144 C CA -0.756 58.326 59.018 0.106 0.000 1.426 144 C CB 1.115 28.996 27.740 0.234 0.000 1.800 144 C HN 0.906 nan 8.230 nan 0.000 0.470 145 G N 1.280 110.077 108.800 -0.005 0.000 2.461 145 G HA2 0.800 4.760 3.960 -0.000 0.000 0.329 145 G HA3 0.800 4.760 3.960 -0.000 0.000 0.329 145 G C -0.932 173.936 174.900 -0.054 0.000 1.170 145 G CA -0.460 44.629 45.100 -0.018 0.000 0.935 145 G HN 0.894 nan 8.290 nan 0.000 0.492 146 R N -0.842 119.632 120.500 -0.043 0.000 2.831 146 R HA 0.730 5.070 4.340 -0.000 0.000 0.266 146 R C -0.969 175.351 176.300 0.033 0.000 1.051 146 R CA -0.756 55.311 56.100 -0.054 0.000 0.943 146 R CB 1.681 31.906 30.300 -0.124 0.000 1.228 146 R HN 0.559 nan 8.270 nan 0.000 0.467 147 S N -0.370 115.380 115.700 0.083 0.000 2.599 147 S HA 0.501 4.971 4.470 -0.000 0.000 0.287 147 S C -0.791 173.956 174.600 0.245 0.000 1.105 147 S CA -0.746 57.586 58.200 0.221 0.000 0.899 147 S CB 2.429 65.690 63.200 0.102 0.000 1.100 147 S HN 0.237 nan 8.310 nan 0.000 0.482 148 V N 2.943 123.077 119.914 0.367 0.000 2.334 148 V HA 0.287 4.407 4.120 -0.000 0.000 0.267 148 V C 0.533 176.660 176.094 0.055 0.000 1.040 148 V CA -0.695 61.621 62.300 0.026 0.000 0.866 148 V CB 0.500 32.159 31.823 -0.273 0.000 1.019 148 V HN 0.827 nan 8.190 nan 0.000 0.468 149 K N 3.872 124.306 120.400 0.057 0.000 2.485 149 K HA 0.274 4.594 4.320 -0.000 0.000 0.277 149 K C 1.041 177.659 176.600 0.030 0.000 0.990 149 K CA 1.013 57.321 56.287 0.036 0.000 0.994 149 K CB 0.312 32.824 32.500 0.019 0.000 0.906 149 K HN 1.036 nan 8.250 nan 0.000 0.488 150 G N 0.977 109.797 108.800 0.033 0.000 2.176 150 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.232 150 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.232 150 G C -0.483 174.457 174.900 0.066 0.000 0.986 150 G CA -0.037 45.095 45.100 0.054 0.000 0.643 150 G HN 0.610 nan 8.290 nan 0.000 0.522 151 V N 0.123 120.084 119.914 0.078 0.000 3.012 151 V HA 0.521 4.641 4.120 -0.000 0.000 0.307 151 V C 0.805 177.009 176.094 0.184 0.000 1.166 151 V CA -0.580 61.777 62.300 0.095 0.000 0.974 151 V CB 1.987 33.814 31.823 0.006 0.000 1.040 151 V HN 0.488 nan 8.190 nan 0.000 0.428 152 C N 4.020 123.427 119.300 0.178 0.000 2.703 152 C HA 0.301 4.761 4.460 -0.000 0.000 0.411 152 C C 0.717 175.840 174.990 0.221 0.000 1.290 152 C CA -0.455 58.675 59.018 0.186 0.000 2.054 152 C CB -0.614 27.218 27.740 0.154 0.000 2.732 152 C HN 0.650 nan 8.230 nan 0.000 0.650 153 L N 3.492 124.781 121.223 0.110 0.000 2.472 153 L HA 0.176 4.516 4.340 -0.000 0.000 0.260 153 L C -1.198 175.683 176.870 0.018 0.000 1.209 153 L CA -1.009 53.798 54.840 -0.056 0.000 0.817 153 L CB 0.130 42.167 42.059 -0.037 0.000 1.106 153 L HN 0.452 nan 8.230 nan 0.000 0.479 154 P HA -0.163 nan 4.420 nan 0.000 0.217 154 P C -1.571 175.770 177.300 0.068 0.000 1.148 154 P CA 1.389 64.517 63.100 0.048 0.000 0.834 154 P CB -0.673 31.044 31.700 0.028 0.000 0.783 155 P HA -0.092 nan 4.420 nan 0.000 0.217 155 P C 0.936 178.285 177.300 0.083 0.000 1.151 155 P CA 1.904 65.047 63.100 0.071 0.000 0.828 155 P CB -0.288 31.456 31.700 0.074 0.000 0.788 156 A N -0.776 122.102 122.820 0.097 0.000 2.431 156 A HA 0.277 4.597 4.320 -0.000 0.000 0.239 156 A C 1.302 178.945 177.584 0.098 0.000 1.230 156 A CA -0.325 51.772 52.037 0.099 0.000 0.928 156 A CB -0.738 18.332 19.000 0.117 0.000 1.006 156 A HN 0.213 nan 8.150 nan 0.000 0.520 157 M N 0.699 120.362 119.600 0.105 0.000 2.226 157 M HA 0.480 4.960 4.480 -0.000 0.000 0.324 157 M C 0.155 176.506 176.300 0.084 0.000 1.112 157 M CA 0.210 55.574 55.300 0.107 0.000 1.176 157 M CB 0.717 33.403 32.600 0.143 0.000 1.430 157 M HN 0.243 nan 8.290 nan 0.000 0.462 158 S N 1.873 117.616 115.700 0.071 0.000 2.745 158 S HA 0.462 4.932 4.470 -0.000 0.000 0.292 158 S C 0.729 175.356 174.600 0.045 0.000 1.133 158 S CA -0.910 57.323 58.200 0.055 0.000 0.998 158 S CB 1.764 64.992 63.200 0.046 0.000 1.087 158 S HN 0.905 nan 8.310 nan 0.000 0.551 159 R N 0.389 120.911 120.500 0.037 0.000 2.082 159 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 159 R C 2.650 178.959 176.300 0.014 0.000 1.136 159 R CA 1.640 57.756 56.100 0.026 0.000 0.935 159 R CB -1.218 29.097 30.300 0.025 0.000 0.842 159 R HN 0.831 nan 8.270 nan 0.000 0.430 160 A N 1.426 124.254 122.820 0.013 0.000 1.917 160 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 160 A C 1.963 179.544 177.584 -0.005 0.000 1.182 160 A CA 1.727 53.766 52.037 0.003 0.000 0.633 160 A CB -0.478 18.526 19.000 0.007 0.000 0.819 160 A HN 0.396 nan 8.150 nan 0.000 0.448 161 E N -0.923 119.280 120.200 0.006 0.000 2.058 161 E HA -0.231 4.119 4.350 -0.000 0.000 0.194 161 E C 2.365 178.951 176.600 -0.024 0.000 0.997 161 E CA 1.252 57.650 56.400 -0.003 0.000 0.801 161 E CB -0.232 29.488 29.700 0.033 0.000 0.746 161 E HN 0.604 nan 8.360 nan 0.000 0.450 162 R N 0.968 121.469 120.500 0.002 0.000 2.073 162 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 162 R C 2.423 178.702 176.300 -0.036 0.000 1.134 162 R CA 1.447 57.546 56.100 -0.002 0.000 0.952 162 R CB 0.005 30.316 30.300 0.019 0.000 0.850 162 R HN 0.031 nan 8.270 nan 0.000 0.433 163 R N 0.138 120.620 120.500 -0.030 0.000 2.073 163 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 163 R C 2.317 178.576 176.300 -0.069 0.000 1.134 163 R CA 1.417 57.494 56.100 -0.038 0.000 0.952 163 R CB -0.588 29.699 30.300 -0.022 0.000 0.850 163 R HN 0.147 nan 8.270 nan 0.000 0.433 164 L N 0.716 121.896 121.223 -0.072 0.000 1.978 164 L HA -0.246 4.094 4.340 -0.000 0.000 0.218 164 L C 2.136 178.908 176.870 -0.164 0.000 1.075 164 L CA 1.765 56.544 54.840 -0.102 0.000 0.767 164 L CB -0.670 41.336 42.059 -0.088 0.000 0.890 164 L HN -0.025 nan 8.230 nan 0.000 0.434 165 V N -0.165 119.637 119.914 -0.187 0.000 2.252 165 V HA -0.377 3.743 4.120 -0.000 0.000 0.249 165 V C 2.622 178.586 176.094 -0.217 0.000 1.056 165 V CA 2.225 64.373 62.300 -0.253 0.000 1.022 165 V CB -0.757 30.893 31.823 -0.289 0.000 0.641 165 V HN 0.656 nan 8.190 nan 0.000 0.445 166 E N -0.231 119.873 120.200 -0.160 0.000 2.097 166 E HA -0.303 4.047 4.350 -0.000 0.000 0.196 166 E C 2.371 178.822 176.600 -0.249 0.000 1.000 166 E CA 1.571 57.861 56.400 -0.183 0.000 0.804 166 E CB -0.079 29.561 29.700 -0.100 0.000 0.740 166 E HN 0.408 nan 8.360 nan 0.000 0.454 167 K N 0.456 120.743 120.400 -0.188 0.000 1.973 167 K HA -0.101 4.219 4.320 -0.000 0.000 0.210 167 K C 2.230 178.711 176.600 -0.199 0.000 1.045 167 K CA 1.130 57.315 56.287 -0.170 0.000 0.937 167 K CB -0.615 31.816 32.500 -0.115 0.000 0.721 167 K HN 0.079 nan 8.250 nan 0.000 0.438 168 V N 1.239 121.010 119.914 -0.237 0.000 2.252 168 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 168 V C 2.572 178.491 176.094 -0.292 0.000 1.056 168 V CA 1.795 63.905 62.300 -0.318 0.000 1.022 168 V CB -0.335 31.109 31.823 -0.631 0.000 0.641 168 V HN 0.096 nan 8.190 nan 0.000 0.445 169 V N 0.743 120.477 119.914 -0.300 0.000 2.295 169 V HA -0.239 3.881 4.120 -0.000 0.000 0.246 169 V C 2.684 178.600 176.094 -0.298 0.000 1.049 169 V CA 2.317 64.456 62.300 -0.269 0.000 1.024 169 V CB -0.870 30.816 31.823 -0.227 0.000 0.648 169 V HN 0.786 nan 8.190 nan 0.000 0.447 170 S N -0.226 115.263 115.700 -0.352 0.000 2.356 170 S HA -0.254 4.216 4.470 -0.000 0.000 0.223 170 S C 1.708 176.152 174.600 -0.261 0.000 1.032 170 S CA 1.543 59.507 58.200 -0.394 0.000 1.005 170 S CB -0.625 62.224 63.200 -0.585 0.000 0.867 170 S HN 0.539 nan 8.310 nan 0.000 0.449 171 D N 2.742 123.024 120.400 -0.198 0.000 2.137 171 D HA -0.110 4.530 4.640 -0.000 0.000 0.189 171 D C 2.388 178.613 176.300 -0.126 0.000 0.998 171 D CA 1.923 55.848 54.000 -0.124 0.000 0.839 171 D CB -0.992 39.757 40.800 -0.085 0.000 0.962 171 D HN 0.531 nan 8.370 nan 0.000 0.446 172 A N 0.618 123.358 122.820 -0.132 0.000 1.917 172 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 172 A C 2.509 179.980 177.584 -0.188 0.000 1.182 172 A CA 1.346 53.311 52.037 -0.119 0.000 0.633 172 A CB -0.937 18.006 19.000 -0.095 0.000 0.819 172 A HN 0.290 nan 8.150 nan 0.000 0.448 173 L N -0.679 120.359 121.223 -0.308 0.000 2.079 173 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 173 L C 2.714 179.407 176.870 -0.296 0.000 1.081 173 L CA 0.971 55.508 54.840 -0.504 0.000 0.752 173 L CB -0.897 40.592 42.059 -0.950 0.000 0.896 173 L HN 0.507 nan 8.230 nan 0.000 0.433 174 G N -0.323 108.383 108.800 -0.157 0.000 2.537 174 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 174 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 174 G C 1.348 176.238 174.900 -0.017 0.000 1.111 174 G CA 0.727 45.809 45.100 -0.031 0.000 0.748 174 G HN 0.527 nan 8.290 nan 0.000 0.564 175 G N -0.295 108.472 108.800 -0.055 0.000 3.141 175 G HA2 0.353 4.313 3.960 -0.000 0.000 0.218 175 G HA3 0.353 4.313 3.960 -0.000 0.000 0.218 175 G C 0.466 175.354 174.900 -0.021 0.000 1.170 175 G CA -0.578 44.501 45.100 -0.034 0.000 0.769 175 G HN 0.355 nan 8.290 nan 0.000 0.546 176 L N 1.572 122.792 121.223 -0.004 0.000 2.410 176 L HA 0.285 4.625 4.340 -0.000 0.000 0.273 176 L C -0.016 176.888 176.870 0.058 0.000 1.144 176 L CA -0.342 54.516 54.840 0.030 0.000 0.863 176 L CB 0.919 43.033 42.059 0.091 0.000 1.140 176 L HN -0.055 nan 8.230 nan 0.000 0.463 177 K N 2.302 122.716 120.400 0.023 0.000 2.185 177 K HA 0.728 5.048 4.320 -0.000 0.000 0.240 177 K C 0.526 177.133 176.600 0.012 0.000 0.983 177 K CA 0.037 56.334 56.287 0.017 0.000 0.873 177 K CB 1.372 33.870 32.500 -0.003 0.000 1.118 177 K HN 0.720 nan 8.250 nan 0.000 0.441 178 G N 1.869 110.676 108.800 0.011 0.000 2.527 178 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.268 178 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.268 178 G C 0.277 175.188 174.900 0.019 0.000 1.175 178 G CA 0.632 45.734 45.100 0.004 0.000 0.962 178 G HN 0.704 nan 8.290 nan 0.000 0.560 179 D N 0.765 121.168 120.400 0.005 0.000 2.349 179 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 179 D C 2.303 178.631 176.300 0.047 0.000 1.029 179 D CA 0.862 54.873 54.000 0.019 0.000 0.879 179 D CB -0.150 40.651 40.800 0.002 0.000 0.906 179 D HN 0.491 nan 8.370 nan 0.000 0.528 180 L N -0.012 121.237 121.223 0.044 0.000 2.492 180 L HA 0.230 4.570 4.340 -0.000 0.000 0.223 180 L C 1.269 178.352 176.870 0.356 0.000 1.132 180 L CA -0.036 54.888 54.840 0.140 0.000 0.850 180 L CB -0.353 41.697 42.059 -0.014 0.000 0.966 180 L HN 0.019 nan 8.230 nan 0.000 0.454 181 A N 0.290 123.246 122.820 0.227 0.000 2.511 181 A HA 0.476 4.796 4.320 -0.000 0.000 0.242 181 A C 0.570 178.303 177.584 0.249 0.000 1.069 181 A CA 0.787 52.983 52.037 0.265 0.000 0.763 181 A CB 0.059 19.142 19.000 0.139 0.000 1.001 181 A HN 0.325 nan 8.150 nan 0.000 0.498 182 G N 0.782 109.792 108.800 0.349 0.000 2.753 182 G HA2 0.583 4.543 3.960 -0.000 0.000 0.303 182 G HA3 0.583 4.543 3.960 -0.000 0.000 0.303 182 G C -1.180 173.726 174.900 0.010 0.000 1.242 182 G CA -0.460 44.617 45.100 -0.037 0.000 0.810 182 G HN 0.761 nan 8.290 nan 0.000 0.515 183 K N -0.643 119.501 120.400 -0.427 0.000 2.498 183 K HA 0.456 4.776 4.320 -0.000 0.000 0.254 183 K C -1.982 174.258 176.600 -0.600 0.000 0.933 183 K CA -0.736 55.331 56.287 -0.366 0.000 0.806 183 K CB 2.721 34.931 32.500 -0.483 0.000 1.301 183 K HN 0.501 nan 8.250 nan 0.000 0.432 184 Y N 2.631 122.737 120.300 -0.322 0.000 2.299 184 Y HA 0.300 4.850 4.550 -0.000 0.000 0.326 184 Y C -1.394 174.191 175.900 -0.525 0.000 1.164 184 Y CA -0.147 57.837 58.100 -0.194 0.000 1.234 184 Y CB 0.636 39.147 38.460 0.085 0.000 1.219 184 Y HN 0.439 nan 8.280 nan 0.000 0.497 185 Y N 7.202 127.007 120.300 -0.826 0.000 2.686 185 Y HA 0.350 4.900 4.550 -0.000 0.000 0.331 185 Y C -2.287 173.041 175.900 -0.954 0.000 0.996 185 Y CA -2.803 54.878 58.100 -0.699 0.000 1.293 185 Y CB 0.541 38.769 38.460 -0.387 0.000 1.092 185 Y HN 0.504 nan 8.280 nan 0.000 0.524 186 P HA -0.045 nan 4.420 nan 0.000 0.268 186 P C 0.667 177.866 177.300 -0.169 0.000 1.205 186 P CA -0.118 62.755 63.100 -0.378 0.000 0.771 186 P CB 1.794 33.457 31.700 -0.062 0.000 0.858 187 L N 3.582 124.746 121.223 -0.098 0.000 2.093 187 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 187 L C 2.546 179.382 176.870 -0.056 0.000 1.085 187 L CA 2.520 57.311 54.840 -0.082 0.000 0.755 187 L CB -1.432 40.571 42.059 -0.094 0.000 0.904 187 L HN 0.475 nan 8.230 nan 0.000 0.435 188 T N -4.514 110.010 114.554 -0.050 0.000 2.746 188 T HA -0.194 4.156 4.350 -0.000 0.000 0.267 188 T C 1.609 176.301 174.700 -0.013 0.000 1.039 188 T CA 1.606 63.691 62.100 -0.026 0.000 1.142 188 T CB -1.185 67.672 68.868 -0.019 0.000 0.866 188 T HN 0.474 nan 8.240 nan 0.000 0.444 189 T N -1.071 113.473 114.554 -0.018 0.000 3.169 189 T HA 0.349 4.699 4.350 -0.000 0.000 0.250 189 T C 0.460 175.150 174.700 -0.015 0.000 1.111 189 T CA -0.488 61.606 62.100 -0.011 0.000 1.010 189 T CB -0.597 68.267 68.868 -0.007 0.000 0.984 189 T HN 0.483 nan 8.240 nan 0.000 0.537 190 M N 3.917 123.502 119.600 -0.026 0.000 2.113 190 M HA 0.305 4.785 4.480 -0.000 0.000 0.352 190 M C -0.063 176.222 176.300 -0.026 0.000 1.170 190 M CA -0.832 54.448 55.300 -0.033 0.000 1.053 190 M CB 0.858 33.423 32.600 -0.059 0.000 1.601 190 M HN 0.280 nan 8.290 nan 0.000 0.459 191 N N 3.800 122.485 118.700 -0.025 0.000 2.508 191 N HA -0.061 4.679 4.740 -0.000 0.000 0.264 191 N C 0.278 175.776 175.510 -0.020 0.000 1.216 191 N CA 0.128 53.168 53.050 -0.017 0.000 0.943 191 N CB 0.946 39.423 38.487 -0.017 0.000 1.113 191 N HN 0.961 nan 8.380 nan 0.000 0.447 192 E N 2.214 122.410 120.200 -0.007 0.000 2.108 192 E HA -0.301 4.049 4.350 -0.000 0.000 0.203 192 E C 1.196 177.785 176.600 -0.018 0.000 1.022 192 E CA 1.855 58.253 56.400 -0.004 0.000 0.823 192 E CB 0.098 29.800 29.700 0.004 0.000 0.744 192 E HN 0.702 nan 8.360 nan 0.000 0.456 193 K N 0.396 120.783 120.400 -0.022 0.000 1.991 193 K HA -0.167 4.153 4.320 -0.000 0.000 0.212 193 K C 2.009 178.584 176.600 -0.042 0.000 1.049 193 K CA 1.909 58.180 56.287 -0.028 0.000 0.932 193 K CB -0.128 32.358 32.500 -0.025 0.000 0.717 193 K HN 0.188 nan 8.250 nan 0.000 0.441 194 D N 0.286 120.655 120.400 -0.052 0.000 2.116 194 D HA -0.237 4.403 4.640 -0.000 0.000 0.193 194 D C 1.937 178.184 176.300 -0.088 0.000 0.998 194 D CA 1.298 55.252 54.000 -0.078 0.000 0.836 194 D CB -0.326 40.416 40.800 -0.095 0.000 0.951 194 D HN 0.336 nan 8.370 nan 0.000 0.449 195 Q N 0.701 120.453 119.800 -0.079 0.000 2.135 195 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 195 Q C 1.763 177.721 176.000 -0.070 0.000 0.981 195 Q CA 1.383 57.136 55.803 -0.084 0.000 0.856 195 Q CB 0.034 28.740 28.738 -0.053 0.000 0.902 195 Q HN 0.335 nan 8.270 nan 0.000 0.425 196 E N -0.116 120.053 120.200 -0.051 0.000 2.107 196 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 196 E C 2.014 178.583 176.600 -0.051 0.000 0.982 196 E CA 1.101 57.473 56.400 -0.046 0.000 0.809 196 E CB 0.060 29.739 29.700 -0.035 0.000 0.756 196 E HN 0.362 nan 8.360 nan 0.000 0.459 197 Q N 1.039 120.811 119.800 -0.047 0.000 2.046 197 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 197 Q C 2.084 178.077 176.000 -0.012 0.000 0.975 197 Q CA 1.095 56.878 55.803 -0.033 0.000 0.836 197 Q CB -0.172 28.547 28.738 -0.032 0.000 0.896 197 Q HN 0.222 nan 8.270 nan 0.000 0.428 198 L N -0.247 120.962 121.223 -0.023 0.000 2.079 198 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 198 L C 2.235 179.123 176.870 0.030 0.000 1.081 198 L CA 1.099 55.961 54.840 0.036 0.000 0.752 198 L CB -0.392 41.634 42.059 -0.056 0.000 0.896 198 L HN 0.300 nan 8.230 nan 0.000 0.433 199 I N -0.997 119.537 120.570 -0.060 0.000 2.252 199 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 199 I C 2.583 178.609 176.117 -0.152 0.000 1.102 199 I CA 1.081 62.325 61.300 -0.094 0.000 1.385 199 I CB -0.331 37.612 38.000 -0.096 0.000 1.064 199 I HN 0.268 nan 8.210 nan 0.000 0.414 200 E N 0.882 120.998 120.200 -0.139 0.000 2.058 200 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 200 E C 1.094 177.506 176.600 -0.312 0.000 0.997 200 E CA 1.388 57.668 56.400 -0.201 0.000 0.801 200 E CB -0.044 29.593 29.700 -0.106 0.000 0.746 200 E HN 0.466 nan 8.360 nan 0.000 0.450 201 D N -0.850 119.463 120.400 -0.144 0.000 2.336 201 D HA -0.044 4.596 4.640 -0.000 0.000 0.229 201 D C 0.023 176.096 176.300 -0.378 0.000 1.061 201 D CA 0.402 54.335 54.000 -0.112 0.000 0.875 201 D CB 0.080 41.021 40.800 0.235 0.000 0.904 201 D HN 0.296 nan 8.370 nan 0.000 0.525 202 H N -2.376 116.547 119.070 -0.246 0.000 3.433 202 H HA -0.177 4.379 4.556 -0.000 0.000 0.197 202 H C 0.748 175.945 175.328 -0.218 0.000 1.059 202 H CA 0.574 56.479 56.048 -0.239 0.000 1.185 202 H CB -1.783 27.805 29.762 -0.289 0.000 1.106 202 H HN 0.246 nan 8.280 nan 0.000 0.329 203 F N 0.233 120.278 119.950 0.158 0.000 2.262 203 F HA 0.155 4.682 4.527 -0.000 0.000 0.292 203 F C 1.414 177.411 175.800 0.330 0.000 1.081 203 F CA 0.348 58.458 58.000 0.183 0.000 1.355 203 F CB 0.278 39.293 39.000 0.025 0.000 1.069 203 F HN 0.013 nan 8.300 nan 0.000 0.506 204 L N 0.539 121.899 121.223 0.228 0.000 2.331 204 L HA 0.431 4.771 4.340 -0.000 0.000 0.275 204 L C -0.272 176.276 176.870 -0.537 0.000 1.022 204 L CA -1.598 53.096 54.840 -0.243 0.000 0.812 204 L CB 0.429 42.259 42.059 -0.382 0.000 1.257 204 L HN 0.042 nan 8.230 nan 0.000 0.435 205 F N 0.601 119.888 119.950 -1.104 0.000 2.539 205 F HA 0.409 4.936 4.527 -0.000 0.000 0.340 205 F C 0.616 176.197 175.800 -0.365 0.000 1.185 205 F CA -0.761 56.646 58.000 -0.988 0.000 1.333 205 F CB -0.505 37.759 39.000 -1.227 0.000 1.152 205 F HN 0.707 nan 8.300 nan 0.000 0.602 206 E N 0.880 121.103 120.200 0.037 0.000 2.376 206 E HA 0.277 4.627 4.350 -0.000 0.000 0.254 206 E C -0.941 175.697 176.600 0.064 0.000 1.213 206 E CA -1.055 55.354 56.400 0.015 0.000 0.945 206 E CB 0.486 30.168 29.700 -0.030 0.000 1.057 206 E HN 0.582 nan 8.360 nan 0.000 0.479 207 K N 1.188 121.579 120.400 -0.015 0.000 2.382 207 K HA 0.089 4.409 4.320 -0.000 0.000 0.275 207 K C -1.856 174.581 176.600 -0.272 0.000 1.009 207 K CA -1.379 54.858 56.287 -0.084 0.000 0.970 207 K CB 0.222 32.680 32.500 -0.069 0.000 0.934 207 K HN 0.475 nan 8.250 nan 0.000 0.479 208 P HA -0.034 nan 4.420 nan 0.000 0.235 208 P C -0.108 176.928 177.300 -0.440 0.000 1.720 208 P CA 0.346 62.950 63.100 -0.826 0.000 1.003 208 P CB -0.551 30.185 31.700 -1.607 0.000 1.968 209 T N -3.219 111.176 114.554 -0.265 0.000 3.145 209 T HA 0.284 4.634 4.350 -0.000 0.000 0.281 209 T C 0.871 175.508 174.700 -0.104 0.000 1.003 209 T CA -0.386 61.616 62.100 -0.162 0.000 0.901 209 T CB -0.025 68.776 68.868 -0.112 0.000 1.112 209 T HN 0.156 nan 8.240 nan 0.000 0.535 210 G N 0.565 109.296 108.800 -0.115 0.000 2.378 210 G HA2 0.506 4.466 3.960 -0.000 0.000 0.255 210 G HA3 0.506 4.466 3.960 -0.000 0.000 0.255 210 G C 1.131 176.009 174.900 -0.037 0.000 1.270 210 G CA -0.198 44.866 45.100 -0.059 0.000 0.876 210 G HN 0.394 nan 8.290 nan 0.000 0.521 211 A N 2.976 125.798 122.820 0.003 0.000 1.869 211 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 211 A C 2.347 179.930 177.584 -0.002 0.000 1.203 211 A CA 1.968 54.008 52.037 0.006 0.000 0.638 211 A CB -0.696 18.323 19.000 0.032 0.000 0.831 211 A HN 0.944 nan 8.150 nan 0.000 0.450 212 L N -0.853 120.374 121.223 0.007 0.000 1.989 212 L HA -0.148 4.192 4.340 -0.000 0.000 0.211 212 L C 2.351 179.217 176.870 -0.007 0.000 1.071 212 L CA 2.300 57.144 54.840 0.006 0.000 0.749 212 L CB -0.562 41.507 42.059 0.015 0.000 0.890 212 L HN 0.390 nan 8.230 nan 0.000 0.431 213 L N -0.710 120.500 121.223 -0.022 0.000 2.043 213 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 213 L C 2.520 179.368 176.870 -0.037 0.000 1.075 213 L CA 2.613 57.432 54.840 -0.035 0.000 0.752 213 L CB -0.758 41.252 42.059 -0.082 0.000 0.891 213 L HN 0.714 nan 8.230 nan 0.000 0.432 214 T N -5.542 108.981 114.554 -0.051 0.000 2.939 214 T HA -0.090 4.260 4.350 -0.000 0.000 0.254 214 T C 1.776 176.464 174.700 -0.021 0.000 1.041 214 T CA 0.902 62.973 62.100 -0.048 0.000 1.142 214 T CB -1.049 67.778 68.868 -0.069 0.000 0.874 214 T HN 0.480 nan 8.240 nan 0.000 0.452 215 T N 1.082 115.627 114.554 -0.016 0.000 3.007 215 T HA -0.034 4.316 4.350 -0.000 0.000 0.270 215 T C 2.079 176.779 174.700 0.000 0.000 1.107 215 T CA 1.266 63.361 62.100 -0.008 0.000 1.118 215 T CB -0.616 68.248 68.868 -0.007 0.000 0.889 215 T HN 0.607 nan 8.240 nan 0.000 0.506 216 S N -0.294 115.410 115.700 0.005 0.000 2.523 216 S HA 0.544 5.014 4.470 -0.000 0.000 0.217 216 S C 1.745 176.363 174.600 0.030 0.000 0.996 216 S CA 0.319 58.529 58.200 0.016 0.000 0.921 216 S CB 0.087 63.298 63.200 0.018 0.000 0.829 216 S HN 1.081 nan 8.310 nan 0.000 0.495 217 G N 0.159 108.977 108.800 0.030 0.000 2.184 217 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 217 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 217 G C 0.534 175.473 174.900 0.065 0.000 0.995 217 G CA -0.126 45.002 45.100 0.046 0.000 0.651 217 G HN 0.586 nan 8.290 nan 0.000 0.511 218 C N 1.273 120.608 119.300 0.059 0.000 2.578 218 C HA 0.653 5.113 4.460 -0.000 0.000 0.285 218 C C 2.327 177.409 174.990 0.153 0.000 1.297 218 C CA 0.890 59.964 59.018 0.093 0.000 1.690 218 C CB -1.014 26.765 27.740 0.065 0.000 1.773 218 C HN 0.888 nan 8.230 nan 0.000 0.594 219 A N -0.117 122.772 122.820 0.114 0.000 2.419 219 A HA 0.243 4.563 4.320 -0.000 0.000 0.233 219 A C 0.851 178.569 177.584 0.225 0.000 1.217 219 A CA -0.263 51.849 52.037 0.125 0.000 0.944 219 A CB -0.003 18.947 19.000 -0.084 0.000 1.025 219 A HN 0.564 nan 8.150 nan 0.000 0.524 220 R N 1.203 121.807 120.500 0.173 0.000 2.679 220 R HA 0.177 4.517 4.340 -0.000 0.000 0.268 220 R C -0.148 176.260 176.300 0.180 0.000 1.044 220 R CA 0.623 56.811 56.100 0.147 0.000 1.105 220 R CB 0.096 30.457 30.300 0.101 0.000 0.989 220 R HN 0.368 nan 8.270 nan 0.000 0.447 221 D N -0.557 119.930 120.400 0.146 0.000 3.006 221 D HA -0.263 4.377 4.640 -0.000 0.000 0.208 221 D C -0.300 176.092 176.300 0.153 0.000 1.116 221 D CA 0.986 55.057 54.000 0.119 0.000 0.998 221 D CB -0.935 39.910 40.800 0.075 0.000 1.124 221 D HN 0.592 nan 8.370 nan 0.000 0.413 222 W N 2.922 124.236 121.300 0.024 0.000 2.409 222 W HA 0.047 4.707 4.660 -0.000 0.000 0.338 222 W C -1.573 174.967 176.519 0.034 0.000 1.273 222 W CA 0.139 57.502 57.345 0.030 0.000 1.299 222 W CB 0.226 29.698 29.460 0.021 0.000 1.192 222 W HN 0.015 nan 8.180 nan 0.000 0.565 223 P HA 0.038 nan 4.420 nan 0.000 0.250 223 P C -0.385 176.695 177.300 -0.366 0.000 1.808 223 P CA -0.084 62.620 63.100 -0.660 0.000 1.117 223 P CB -0.040 31.382 31.700 -0.463 0.000 1.602 224 D N 1.056 121.348 120.400 -0.181 0.000 2.417 224 D HA 0.187 4.827 4.640 -0.000 0.000 0.250 224 D C 1.412 177.652 176.300 -0.100 0.000 1.166 224 D CA 1.412 55.357 54.000 -0.091 0.000 0.881 224 D CB 0.449 41.234 40.800 -0.024 0.000 1.164 224 D HN 0.364 nan 8.370 nan 0.000 0.467 225 G N 3.543 112.310 108.800 -0.055 0.000 2.162 225 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 225 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 225 G C 0.444 175.337 174.900 -0.012 0.000 0.976 225 G CA 0.220 45.307 45.100 -0.022 0.000 0.655 225 G HN 0.534 nan 8.290 nan 0.000 0.533 226 R N -0.055 120.398 120.500 -0.078 0.000 2.540 226 R HA 0.771 5.111 4.340 -0.000 0.000 0.287 226 R C 0.695 177.078 176.300 0.138 0.000 0.980 226 R CA 0.698 56.771 56.100 -0.046 0.000 0.966 226 R CB 1.812 31.868 30.300 -0.407 0.000 1.106 226 R HN 0.895 nan 8.270 nan 0.000 0.480 227 G N 0.560 109.559 108.800 0.332 0.000 2.495 227 G HA2 0.403 4.363 3.960 -0.000 0.000 0.294 227 G HA3 0.403 4.363 3.960 -0.000 0.000 0.294 227 G C -1.808 173.316 174.900 0.374 0.000 1.397 227 G CA -0.678 44.570 45.100 0.246 0.000 0.790 227 G HN 0.546 nan 8.290 nan 0.000 0.486 228 I N -0.328 120.347 120.570 0.176 0.000 2.498 228 I HA 0.718 4.888 4.170 -0.000 0.000 0.290 228 I C -1.467 174.911 176.117 0.435 0.000 1.032 228 I CA -1.295 60.216 61.300 0.352 0.000 1.073 228 I CB 1.694 39.807 38.000 0.188 0.000 1.251 228 I HN 0.703 nan 8.210 nan 0.000 0.426 229 W N 8.630 130.165 121.300 0.391 0.000 2.433 229 W HA 0.564 5.224 4.660 -0.000 0.000 0.315 229 W C -1.031 175.633 176.519 0.241 0.000 1.087 229 W CA 0.128 57.643 57.345 0.284 0.000 1.205 229 W CB 0.683 30.293 29.460 0.251 0.000 1.288 229 W HN 0.676 nan 8.180 nan 0.000 0.504 230 H N 2.150 120.794 119.070 -0.710 0.000 2.977 230 H HA 0.550 5.106 4.556 -0.000 0.000 0.350 230 H C -0.414 174.199 175.328 -1.193 0.000 1.238 230 H CA -1.220 54.336 56.048 -0.821 0.000 1.124 230 H CB 0.697 30.291 29.762 -0.279 0.000 1.866 230 H HN 0.430 nan 8.280 nan 0.000 0.550 231 N N 0.192 118.613 118.700 -0.466 0.000 2.448 231 N HA 0.084 4.824 4.740 -0.000 0.000 0.274 231 N C 0.002 175.525 175.510 0.021 0.000 1.239 231 N CA -0.554 52.367 53.050 -0.214 0.000 0.982 231 N CB 0.180 38.700 38.487 0.056 0.000 1.199 231 N HN 0.692 nan 8.380 nan 0.000 0.576 232 N N 0.054 118.763 118.700 0.015 0.000 2.188 232 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 232 N C 0.878 176.390 175.510 0.004 0.000 1.018 232 N CA 0.880 53.946 53.050 0.027 0.000 0.858 232 N CB -0.155 38.343 38.487 0.017 0.000 0.989 232 N HN 0.661 nan 8.380 nan 0.000 0.426 233 E N 0.787 120.991 120.200 0.008 0.000 2.418 233 E HA -0.018 4.332 4.350 -0.000 0.000 0.197 233 E C -0.188 176.379 176.600 -0.055 0.000 1.026 233 E CA 0.162 56.559 56.400 -0.005 0.000 0.862 233 E CB 0.056 29.773 29.700 0.029 0.000 0.799 233 E HN 0.202 nan 8.360 nan 0.000 0.518 234 K N 0.602 120.937 120.400 -0.107 0.000 3.148 234 K HA -0.200 4.120 4.320 -0.000 0.000 0.267 234 K C -0.045 176.521 176.600 -0.056 0.000 0.996 234 K CA 0.671 56.781 56.287 -0.295 0.000 0.737 234 K CB -1.179 30.893 32.500 -0.714 0.000 1.308 234 K HN 0.276 nan 8.250 nan 0.000 0.470 235 N N -0.545 118.214 118.700 0.097 0.000 2.166 235 N HA 0.102 4.842 4.740 -0.000 0.000 0.213 235 N C -0.428 175.272 175.510 0.317 0.000 1.222 235 N CA -0.249 52.923 53.050 0.204 0.000 0.900 235 N CB 0.466 39.052 38.487 0.165 0.000 1.055 235 N HN 0.131 nan 8.380 nan 0.000 0.515 236 F N 0.910 120.929 119.950 0.114 0.000 2.539 236 F HA 0.691 5.218 4.527 -0.000 0.000 0.318 236 F C -1.723 174.208 175.800 0.218 0.000 1.135 236 F CA -1.161 56.946 58.000 0.178 0.000 0.915 236 F CB 1.180 40.294 39.000 0.191 0.000 1.176 236 F HN -0.151 nan 8.300 nan 0.000 0.440 237 L N 5.301 126.402 121.223 -0.203 0.000 2.469 237 L HA 0.800 5.140 4.340 -0.000 0.000 0.256 237 L C -1.350 175.528 176.870 0.014 0.000 1.006 237 L CA -0.938 53.931 54.840 0.047 0.000 0.832 237 L CB 2.367 44.517 42.059 0.152 0.000 1.421 237 L HN 0.300 nan 8.230 nan 0.000 0.410 238 V N -0.066 120.036 119.914 0.313 0.000 2.612 238 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 238 V C -1.411 174.978 176.094 0.492 0.000 1.059 238 V CA -0.534 61.917 62.300 0.252 0.000 0.886 238 V CB 1.912 33.860 31.823 0.209 0.000 1.007 238 V HN 0.561 nan 8.190 nan 0.000 0.426 239 W N 5.268 126.746 121.300 0.298 0.000 2.335 239 W HA 0.585 5.245 4.660 -0.000 0.000 0.306 239 W C -0.130 176.600 176.519 0.352 0.000 1.216 239 W CA -1.397 56.219 57.345 0.452 0.000 1.237 239 W CB 0.492 30.322 29.460 0.617 0.000 1.243 239 W HN 0.350 nan 8.180 nan 0.000 0.493 240 I N 5.453 126.371 120.570 0.579 0.000 2.312 240 I HA 0.100 4.270 4.170 -0.000 0.000 0.290 240 I C 0.176 176.432 176.117 0.233 0.000 1.008 240 I CA -0.528 60.968 61.300 0.327 0.000 1.226 240 I CB 0.531 38.664 38.000 0.222 0.000 1.371 240 I HN 0.389 nan 8.210 nan 0.000 0.468 241 N N 4.377 123.170 118.700 0.155 0.000 2.806 241 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 241 N C 0.199 175.675 175.510 -0.057 0.000 1.081 241 N CA 0.720 53.814 53.050 0.072 0.000 0.680 241 N CB -0.506 38.003 38.487 0.037 0.000 0.941 241 N HN 0.783 nan 8.380 nan 0.000 0.554 242 E N 0.692 120.841 120.200 -0.085 0.000 3.172 242 E HA 0.092 4.442 4.350 -0.000 0.000 0.339 242 E C 1.180 177.776 176.600 -0.007 0.000 0.677 242 E CA -0.034 56.245 56.400 -0.202 0.000 1.512 242 E CB 0.233 29.596 29.700 -0.561 0.000 2.231 242 E HN 0.378 nan 8.360 nan 0.000 0.534 243 E N -0.090 120.117 120.200 0.011 0.000 2.112 243 E HA -0.058 4.292 4.350 -0.000 0.000 0.190 243 E C -0.214 176.398 176.600 0.019 0.000 0.979 243 E CA 0.636 57.056 56.400 0.033 0.000 0.814 243 E CB 0.295 30.026 29.700 0.051 0.000 0.762 243 E HN 0.146 nan 8.360 nan 0.000 0.460 244 D N -1.660 118.762 120.400 0.037 0.000 2.374 244 D HA 0.161 4.801 4.640 -0.000 0.000 0.239 244 D C 0.427 176.757 176.300 0.049 0.000 0.991 244 D CA -0.477 53.517 54.000 -0.010 0.000 0.960 244 D CB 1.027 41.839 40.800 0.019 0.000 1.284 244 D HN 0.169 nan 8.370 nan 0.000 0.512 245 H N -0.036 119.060 119.070 0.044 0.000 2.289 245 H HA -0.001 4.555 4.556 -0.000 0.000 0.296 245 H C 0.423 175.776 175.328 0.042 0.000 1.091 245 H CA 0.946 57.010 56.048 0.027 0.000 1.274 245 H CB 0.366 30.129 29.762 0.001 0.000 1.364 245 H HN 0.173 nan 8.280 nan 0.000 0.490 246 I N 0.194 120.864 120.570 0.166 0.000 2.686 246 I HA 0.320 4.490 4.170 -0.000 0.000 0.295 246 I C -0.649 175.510 176.117 0.070 0.000 1.114 246 I CA -0.820 60.541 61.300 0.102 0.000 1.038 246 I CB 2.408 40.427 38.000 0.032 0.000 1.238 246 I HN 0.052 nan 8.210 nan 0.000 0.420 247 R N 4.850 125.386 120.500 0.060 0.000 2.483 247 R HA 0.505 4.845 4.340 -0.000 0.000 0.303 247 R C -1.382 174.833 176.300 -0.141 0.000 0.987 247 R CA -0.748 55.318 56.100 -0.057 0.000 0.881 247 R CB 2.263 32.482 30.300 -0.135 0.000 1.177 247 R HN 0.297 nan 8.270 nan 0.000 0.451 248 V N 5.642 125.489 119.914 -0.111 0.000 2.465 248 V HA 0.506 4.626 4.120 -0.000 0.000 0.279 248 V C 0.439 176.520 176.094 -0.021 0.000 1.045 248 V CA -0.391 61.822 62.300 -0.146 0.000 0.938 248 V CB 1.393 33.124 31.823 -0.154 0.000 0.986 248 V HN 0.544 nan 8.190 nan 0.000 0.467 249 I N 3.489 123.976 120.570 -0.137 0.000 2.499 249 I HA 0.431 4.601 4.170 -0.000 0.000 0.288 249 I C -0.305 175.914 176.117 0.170 0.000 1.048 249 I CA -0.231 61.069 61.300 0.000 0.000 1.062 249 I CB 2.163 40.058 38.000 -0.174 0.000 1.238 249 I HN 0.530 nan 8.210 nan 0.000 0.426 250 S N 8.150 124.054 115.700 0.341 0.000 2.552 250 S HA 0.865 5.335 4.470 -0.000 0.000 0.314 250 S C -0.633 174.083 174.600 0.194 0.000 1.099 250 S CA -0.592 57.833 58.200 0.375 0.000 1.070 250 S CB 0.658 64.182 63.200 0.539 0.000 0.998 250 S HN 0.628 nan 8.310 nan 0.000 0.474 251 M N 3.789 123.497 119.600 0.179 0.000 2.520 251 M HA 0.652 5.132 4.480 -0.000 0.000 0.280 251 M C -1.782 174.588 176.300 0.116 0.000 1.232 251 M CA -0.774 54.586 55.300 0.100 0.000 0.892 251 M CB 2.099 34.727 32.600 0.046 0.000 1.728 251 M HN 0.595 nan 8.290 nan 0.000 0.475 252 Q N 0.740 120.576 119.800 0.060 0.000 2.647 252 Q HA 0.503 4.843 4.340 -0.000 0.000 0.283 252 Q C -2.034 173.981 176.000 0.025 0.000 0.943 252 Q CA -1.193 54.651 55.803 0.068 0.000 0.813 252 Q CB 2.106 30.895 28.738 0.085 0.000 1.477 252 Q HN 0.853 nan 8.270 nan 0.000 0.393 253 K N 0.440 120.858 120.400 0.031 0.000 2.258 253 K HA 0.612 4.932 4.320 -0.000 0.000 0.264 253 K C 0.274 176.898 176.600 0.040 0.000 1.007 253 K CA 1.285 57.583 56.287 0.018 0.000 0.941 253 K CB 0.725 33.243 32.500 0.030 0.000 0.966 253 K HN 0.935 nan 8.250 nan 0.000 0.480 254 G N 0.214 109.042 108.800 0.047 0.000 2.592 254 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.684 254 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.684 254 G C 0.359 175.327 174.900 0.113 0.000 1.291 254 G CA -0.540 44.605 45.100 0.074 0.000 0.891 254 G HN 0.706 nan 8.290 nan 0.000 0.544 255 G N -1.068 107.822 108.800 0.149 0.000 3.141 255 G HA2 0.331 4.291 3.960 -0.000 0.000 0.218 255 G HA3 0.331 4.291 3.960 -0.000 0.000 0.218 255 G C 0.497 175.492 174.900 0.160 0.000 1.170 255 G CA 1.044 46.299 45.100 0.259 0.000 0.769 255 G HN 0.726 nan 8.290 nan 0.000 0.546 256 D N 1.259 121.707 120.400 0.081 0.000 2.671 256 D HA 0.077 4.717 4.640 -0.000 0.000 0.228 256 D C 1.652 177.982 176.300 0.051 0.000 1.102 256 D CA -0.272 53.743 54.000 0.024 0.000 1.044 256 D CB -0.117 40.701 40.800 0.029 0.000 1.113 256 D HN 0.138 nan 8.370 nan 0.000 0.480 257 L N 1.683 122.943 121.223 0.061 0.000 2.083 257 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 257 L C 2.225 179.165 176.870 0.117 0.000 1.083 257 L CA 1.030 55.939 54.840 0.116 0.000 0.752 257 L CB 0.041 42.227 42.059 0.212 0.000 0.899 257 L HN 0.190 nan 8.230 nan 0.000 0.433 258 K N -0.301 120.143 120.400 0.073 0.000 2.097 258 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 258 K C 1.964 178.649 176.600 0.142 0.000 1.049 258 K CA 1.361 57.733 56.287 0.142 0.000 0.933 258 K CB -0.073 32.471 32.500 0.073 0.000 0.717 258 K HN 0.409 nan 8.250 nan 0.000 0.442 259 A N 0.230 123.100 122.820 0.083 0.000 1.969 259 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 259 A C 2.142 179.768 177.584 0.070 0.000 1.169 259 A CA 1.177 53.246 52.037 0.054 0.000 0.635 259 A CB -0.343 18.682 19.000 0.041 0.000 0.810 259 A HN 0.147 nan 8.150 nan 0.000 0.445 260 V N -1.083 118.901 119.914 0.116 0.000 2.270 260 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 260 V C 2.248 178.486 176.094 0.239 0.000 1.043 260 V CA 2.026 64.419 62.300 0.155 0.000 1.014 260 V CB -0.906 30.994 31.823 0.129 0.000 0.645 260 V HN 0.632 nan 8.190 nan 0.000 0.447 261 F N 1.241 121.225 119.950 0.057 0.000 2.161 261 F HA -0.205 4.322 4.527 -0.000 0.000 0.300 261 F C 2.721 178.562 175.800 0.068 0.000 1.089 261 F CA 1.690 59.740 58.000 0.083 0.000 1.282 261 F CB -0.853 38.187 39.000 0.066 0.000 1.010 261 F HN 0.179 nan 8.300 nan 0.000 0.485 262 S N 0.129 115.713 115.700 -0.193 0.000 2.356 262 S HA -0.244 4.226 4.470 -0.000 0.000 0.223 262 S C 2.442 176.796 174.600 -0.409 0.000 1.032 262 S CA 1.473 59.242 58.200 -0.719 0.000 1.005 262 S CB -0.518 62.267 63.200 -0.692 0.000 0.867 262 S HN 0.562 nan 8.310 nan 0.000 0.449 263 R N -0.786 119.630 120.500 -0.141 0.000 2.066 263 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 263 R C 2.204 178.487 176.300 -0.029 0.000 1.131 263 R CA 1.731 57.776 56.100 -0.093 0.000 0.955 263 R CB -0.768 29.537 30.300 0.009 0.000 0.851 263 R HN 0.522 nan 8.270 nan 0.000 0.432 264 F N 1.372 121.347 119.950 0.042 0.000 2.087 264 F HA -0.272 4.255 4.527 -0.000 0.000 0.299 264 F C 2.126 177.982 175.800 0.093 0.000 1.100 264 F CA 1.963 60.074 58.000 0.184 0.000 1.226 264 F CB -0.514 38.641 39.000 0.260 0.000 0.983 264 F HN 0.184 nan 8.300 nan 0.000 0.479 265 A N 0.746 123.625 122.820 0.099 0.000 1.858 265 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 265 A C 2.325 179.818 177.584 -0.152 0.000 1.190 265 A CA 1.789 53.801 52.037 -0.042 0.000 0.617 265 A CB -0.859 18.043 19.000 -0.165 0.000 0.827 265 A HN 0.456 nan 8.150 nan 0.000 0.443 266 R N -1.075 119.306 120.500 -0.199 0.000 2.136 266 R HA -0.198 4.142 4.340 -0.000 0.000 0.242 266 R C 2.342 178.488 176.300 -0.256 0.000 1.131 266 R CA 1.670 57.645 56.100 -0.209 0.000 0.937 266 R CB -0.962 29.193 30.300 -0.241 0.000 0.863 266 R HN 0.545 nan 8.270 nan 0.000 0.435 267 G N 0.792 109.349 108.800 -0.406 0.000 2.448 267 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.218 267 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.218 267 G C 1.338 176.180 174.900 -0.097 0.000 1.135 267 G CA 0.066 44.846 45.100 -0.535 0.000 0.784 267 G HN 0.128 nan 8.290 nan 0.000 0.543 268 L N 0.531 121.628 121.223 -0.209 0.000 2.027 268 L HA 0.179 4.519 4.340 -0.000 0.000 0.206 268 L C 2.647 179.429 176.870 -0.147 0.000 1.074 268 L CA 1.292 55.983 54.840 -0.247 0.000 0.745 268 L CB -0.549 41.206 42.059 -0.507 0.000 0.898 268 L HN 0.177 nan 8.230 nan 0.000 0.433 269 L N -0.657 120.491 121.223 -0.125 0.000 2.127 269 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 269 L C 2.550 179.374 176.870 -0.078 0.000 1.089 269 L CA 0.955 55.747 54.840 -0.081 0.000 0.757 269 L CB -0.575 41.446 42.059 -0.064 0.000 0.899 269 L HN 0.327 nan 8.230 nan 0.000 0.434 270 E N -0.374 119.772 120.200 -0.090 0.000 2.112 270 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 270 E C 2.366 178.922 176.600 -0.073 0.000 0.979 270 E CA 0.918 57.270 56.400 -0.080 0.000 0.814 270 E CB -0.045 29.598 29.700 -0.095 0.000 0.762 270 E HN 0.293 nan 8.360 nan 0.000 0.460 271 V N 1.821 121.696 119.914 -0.066 0.000 2.379 271 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 271 V C 2.146 178.184 176.094 -0.094 0.000 1.044 271 V CA 1.550 63.795 62.300 -0.091 0.000 1.036 271 V CB -0.392 31.376 31.823 -0.092 0.000 0.664 271 V HN 0.224 nan 8.190 nan 0.000 0.453 272 E N 0.101 120.246 120.200 -0.092 0.000 2.106 272 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 272 E C 2.388 178.955 176.600 -0.055 0.000 0.984 272 E CA 1.176 57.528 56.400 -0.080 0.000 0.806 272 E CB -0.202 29.448 29.700 -0.084 0.000 0.750 272 E HN 0.499 nan 8.360 nan 0.000 0.458 273 R N 1.345 121.812 120.500 -0.055 0.000 2.070 273 R HA -0.139 4.201 4.340 -0.000 0.000 0.232 273 R C 2.427 178.698 176.300 -0.049 0.000 1.138 273 R CA 1.155 57.227 56.100 -0.047 0.000 0.936 273 R CB -0.380 29.891 30.300 -0.048 0.000 0.839 273 R HN 0.137 nan 8.270 nan 0.000 0.429 274 L N 0.474 121.662 121.223 -0.058 0.000 2.079 274 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 274 L C 2.765 179.611 176.870 -0.041 0.000 1.081 274 L CA 1.119 55.924 54.840 -0.058 0.000 0.752 274 L CB -0.358 41.653 42.059 -0.080 0.000 0.896 274 L HN 0.348 nan 8.230 nan 0.000 0.433 275 M N -0.338 119.241 119.600 -0.036 0.000 2.156 275 M HA -0.191 4.289 4.480 -0.000 0.000 0.264 275 M C 2.294 178.605 176.300 0.017 0.000 1.067 275 M CA 1.550 56.857 55.300 0.013 0.000 1.131 275 M CB -0.817 31.776 32.600 -0.011 0.000 1.368 275 M HN 0.212 nan 8.290 nan 0.000 0.416 276 K N 0.653 121.042 120.400 -0.018 0.000 2.057 276 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 276 K C 1.887 178.450 176.600 -0.062 0.000 1.049 276 K CA 1.674 57.940 56.287 -0.035 0.000 0.931 276 K CB -0.090 32.390 32.500 -0.033 0.000 0.714 276 K HN 0.309 nan 8.250 nan 0.000 0.440 277 E N -0.117 120.050 120.200 -0.056 0.000 2.077 277 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 277 E C 1.385 177.932 176.600 -0.087 0.000 0.989 277 E CA 1.402 57.764 56.400 -0.063 0.000 0.800 277 E CB 0.001 29.671 29.700 -0.050 0.000 0.746 277 E HN 0.424 nan 8.360 nan 0.000 0.452 278 C N -0.109 119.134 119.300 -0.095 0.000 2.576 278 C HA 0.280 4.740 4.460 -0.000 0.000 0.267 278 C C 1.400 176.152 174.990 -0.396 0.000 1.364 278 C CA 0.551 59.479 59.018 -0.149 0.000 1.723 278 C CB -0.786 26.939 27.740 -0.025 0.000 1.778 278 C HN 0.739 nan 8.230 nan 0.000 0.572 279 G N 0.348 108.933 108.800 -0.357 0.000 2.131 279 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.201 279 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.201 279 G C -0.426 174.185 174.900 -0.482 0.000 1.000 279 G CA -0.309 44.557 45.100 -0.390 0.000 0.680 279 G HN 0.715 nan 8.290 nan 0.000 0.514 280 H N -0.260 118.784 119.070 -0.044 0.000 2.539 280 H HA 0.593 5.149 4.556 -0.000 0.000 0.332 280 H C 0.888 176.195 175.328 -0.035 0.000 1.031 280 H CA -0.049 55.972 56.048 -0.044 0.000 1.206 280 H CB 1.622 31.348 29.762 -0.061 0.000 1.446 280 H HN 0.422 nan 8.280 nan 0.000 0.496 281 G N 2.067 110.913 108.800 0.076 0.000 2.588 281 G HA2 0.514 4.474 3.960 -0.000 0.000 0.281 281 G HA3 0.514 4.474 3.960 -0.000 0.000 0.281 281 G C -0.809 174.132 174.900 0.067 0.000 1.236 281 G CA -0.697 44.432 45.100 0.050 0.000 0.969 281 G HN 0.492 nan 8.290 nan 0.000 0.504 282 L N -0.209 121.066 121.223 0.086 0.000 2.436 282 L HA 0.341 4.681 4.340 -0.000 0.000 0.268 282 L C 0.059 177.032 176.870 0.171 0.000 0.974 282 L CA -0.696 54.218 54.840 0.123 0.000 0.826 282 L CB 2.388 44.521 42.059 0.125 0.000 1.291 282 L HN 0.428 nan 8.230 nan 0.000 0.406 283 M N 3.300 122.976 119.600 0.127 0.000 2.408 283 M HA 0.015 4.495 4.480 -0.000 0.000 0.363 283 M C -0.513 175.854 176.300 0.112 0.000 1.636 283 M CA 0.976 56.313 55.300 0.061 0.000 1.029 283 M CB -0.516 32.078 32.600 -0.010 0.000 2.068 283 M HN 0.459 nan 8.290 nan 0.000 0.466 284 H N 2.277 121.274 119.070 -0.123 0.000 2.947 284 H HA 0.454 5.010 4.556 -0.000 0.000 0.354 284 H C -1.543 173.618 175.328 -0.277 0.000 1.085 284 H CA -0.789 55.099 56.048 -0.267 0.000 1.253 284 H CB 1.331 30.876 29.762 -0.363 0.000 1.757 284 H HN 0.717 nan 8.280 nan 0.000 0.523 285 N N 2.780 120.993 118.700 -0.811 0.000 2.399 285 N HA 0.124 4.864 4.740 -0.000 0.000 0.295 285 N C 0.302 175.406 175.510 -0.676 0.000 1.048 285 N CA -0.420 52.275 53.050 -0.593 0.000 0.886 285 N CB 1.625 39.776 38.487 -0.560 0.000 1.185 285 N HN 0.760 nan 8.380 nan 0.000 0.487 286 D N 1.187 121.404 120.400 -0.305 0.000 2.117 286 D HA -0.044 4.596 4.640 -0.000 0.000 0.198 286 D C 1.626 177.852 176.300 -0.124 0.000 0.982 286 D CA 1.401 55.311 54.000 -0.149 0.000 0.828 286 D CB 0.376 41.154 40.800 -0.038 0.000 0.967 286 D HN 0.432 nan 8.370 nan 0.000 0.464 287 R N -0.707 119.724 120.500 -0.115 0.000 2.093 287 R HA 0.110 4.450 4.340 -0.000 0.000 0.224 287 R C 1.410 177.682 176.300 -0.046 0.000 1.101 287 R CA 0.657 56.751 56.100 -0.009 0.000 0.979 287 R CB 0.096 30.419 30.300 0.038 0.000 0.877 287 R HN 0.269 nan 8.270 nan 0.000 0.441 288 L N -0.093 120.951 121.223 -0.298 0.000 2.769 288 L HA 0.267 4.607 4.340 -0.000 0.000 0.240 288 L C 0.993 177.468 176.870 -0.658 0.000 1.163 288 L CA -0.123 54.425 54.840 -0.488 0.000 0.962 288 L CB 0.578 42.278 42.059 -0.599 0.000 1.258 288 L HN 0.301 nan 8.230 nan 0.000 0.513 289 G N 0.082 108.493 108.800 -0.648 0.000 2.581 289 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.291 289 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.291 289 G C -0.306 174.097 174.900 -0.828 0.000 1.277 289 G CA -0.022 44.630 45.100 -0.746 0.000 0.959 289 G HN 0.123 nan 8.290 nan 0.000 0.554 290 Y N -0.277 119.853 120.300 -0.284 0.000 2.379 290 Y HA 0.586 5.136 4.550 -0.000 0.000 0.337 290 Y C 1.174 176.920 175.900 -0.258 0.000 1.238 290 Y CA 0.236 58.244 58.100 -0.153 0.000 1.405 290 Y CB 0.687 39.139 38.460 -0.013 0.000 1.310 290 Y HN 0.465 nan 8.280 nan 0.000 0.569 291 I N 2.197 122.742 120.570 -0.043 0.000 2.500 291 I HA 0.302 4.472 4.170 -0.000 0.000 0.286 291 I C -0.867 175.216 176.117 -0.057 0.000 1.063 291 I CA -0.091 61.117 61.300 -0.153 0.000 1.062 291 I CB 1.045 38.830 38.000 -0.359 0.000 1.223 291 I HN 0.641 nan 8.210 nan 0.000 0.435 292 C N 2.241 121.548 119.300 0.011 0.000 3.018 292 C HA 0.376 4.836 4.460 -0.000 0.000 0.393 292 C C 2.157 177.233 174.990 0.144 0.000 2.195 292 C CA -0.190 58.848 59.018 0.034 0.000 1.696 292 C CB 1.518 29.265 27.740 0.011 0.000 2.455 292 C HN 0.814 nan 8.230 nan 0.000 0.478 293 T N -0.114 114.481 114.554 0.069 0.000 2.674 293 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 293 T C 0.657 175.372 174.700 0.026 0.000 1.039 293 T CA 1.358 63.503 62.100 0.075 0.000 1.150 293 T CB -0.186 68.691 68.868 0.014 0.000 0.864 293 T HN 0.774 nan 8.240 nan 0.000 0.427 294 C N 2.519 121.812 119.300 -0.012 0.000 2.365 294 C HA 0.419 4.879 4.460 -0.000 0.000 0.351 294 C C -1.446 173.491 174.990 -0.089 0.000 1.240 294 C CA -2.176 56.789 59.018 -0.089 0.000 2.062 294 C CB 1.079 28.787 27.740 -0.053 0.000 2.387 294 C HN 0.292 nan 8.230 nan 0.000 0.537 295 P HA -0.065 nan 4.420 nan 0.000 0.226 295 P C 1.469 178.808 177.300 0.064 0.000 1.153 295 P CA 1.765 64.817 63.100 -0.080 0.000 0.777 295 P CB -0.075 31.522 31.700 -0.172 0.000 0.794 296 T N -4.766 109.772 114.554 -0.028 0.000 2.995 296 T HA -0.021 4.329 4.350 -0.000 0.000 0.269 296 T C 1.051 175.743 174.700 -0.013 0.000 1.091 296 T CA 0.727 62.779 62.100 -0.081 0.000 1.128 296 T CB -0.808 67.874 68.868 -0.310 0.000 0.891 296 T HN -0.068 nan 8.240 nan 0.000 0.492 297 N N 1.729 120.415 118.700 -0.023 0.000 3.324 297 N HA 0.434 5.174 4.740 -0.000 0.000 0.302 297 N C -0.659 174.822 175.510 -0.048 0.000 1.360 297 N CA 0.083 53.113 53.050 -0.032 0.000 1.190 297 N CB 0.103 38.578 38.487 -0.020 0.000 1.462 297 N HN 0.585 nan 8.380 nan 0.000 0.532 298 M N -1.783 117.741 119.600 -0.128 0.000 2.719 298 M HA 0.501 4.981 4.480 -0.000 0.000 0.291 298 M C 1.100 177.149 176.300 -0.417 0.000 1.264 298 M CA -0.754 54.391 55.300 -0.259 0.000 0.811 298 M CB 2.149 34.558 32.600 -0.318 0.000 1.756 298 M HN 0.316 nan 8.290 nan 0.000 0.464 299 G N 0.738 109.184 108.800 -0.590 0.000 2.950 299 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.299 299 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.299 299 G C 0.752 175.340 174.900 -0.521 0.000 1.310 299 G CA 1.176 45.656 45.100 -1.033 0.000 0.994 299 G HN 0.925 nan 8.290 nan 0.000 0.575 300 T N -1.499 112.971 114.554 -0.140 0.000 3.031 300 T HA 0.356 4.706 4.350 -0.000 0.000 0.254 300 T C 1.529 176.267 174.700 0.063 0.000 1.060 300 T CA 1.705 63.878 62.100 0.123 0.000 1.135 300 T CB 0.038 69.011 68.868 0.175 0.000 0.896 300 T HN 2.183 nan 8.240 nan 0.000 0.472 301 V N 0.076 119.977 119.914 -0.022 0.000 5.658 301 V HA -0.122 3.998 4.120 -0.000 0.000 0.312 301 V C -0.007 176.083 176.094 -0.007 0.000 0.480 301 V CA 0.386 62.671 62.300 -0.024 0.000 0.684 301 V CB -2.825 28.992 31.823 -0.010 0.000 0.426 301 V HN 0.516 nan 8.190 nan 0.000 1.241 302 V N 1.036 120.938 119.914 -0.021 0.000 2.409 302 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 302 V C 0.480 176.513 176.094 -0.102 0.000 1.020 302 V CA -0.422 61.843 62.300 -0.058 0.000 0.848 302 V CB 1.983 33.767 31.823 -0.066 0.000 0.990 302 V HN 0.552 nan 8.190 nan 0.000 0.430 303 R N 4.190 124.615 120.500 -0.124 0.000 2.332 303 R HA 0.648 4.988 4.340 -0.000 0.000 0.306 303 R C -0.041 176.168 176.300 -0.152 0.000 1.117 303 R CA -0.332 55.699 56.100 -0.115 0.000 1.108 303 R CB 0.853 31.105 30.300 -0.079 0.000 1.126 303 R HN 0.820 nan 8.270 nan 0.000 0.548 304 A N 2.571 125.289 122.820 -0.170 0.000 2.409 304 A HA 0.386 4.706 4.320 -0.000 0.000 0.267 304 A C -0.111 177.421 177.584 -0.087 0.000 1.127 304 A CA -0.098 51.837 52.037 -0.170 0.000 0.795 304 A CB 0.530 19.408 19.000 -0.203 0.000 1.061 304 A HN 0.759 nan 8.150 nan 0.000 0.502 305 S N 1.122 116.780 115.700 -0.069 0.000 2.661 305 S HA 0.818 5.288 4.470 -0.000 0.000 0.285 305 S C -0.600 173.983 174.600 -0.029 0.000 1.138 305 S CA 0.011 58.193 58.200 -0.030 0.000 0.855 305 S CB 1.486 64.679 63.200 -0.012 0.000 1.136 305 S HN 2.109 nan 8.310 nan 0.000 0.484 306 V N -0.788 119.125 119.914 -0.001 0.000 2.971 306 V HA 0.600 4.720 4.120 -0.000 0.000 0.309 306 V C -1.210 174.951 176.094 0.112 0.000 1.130 306 V CA -0.824 61.476 62.300 0.001 0.000 0.964 306 V CB 1.310 33.105 31.823 -0.046 0.000 1.029 306 V HN 1.095 nan 8.190 nan 0.000 0.427 307 H N 4.398 123.458 119.070 -0.017 0.000 2.820 307 H HA 0.472 5.028 4.556 -0.000 0.000 0.278 307 H C -0.585 174.758 175.328 0.025 0.000 1.142 307 H CA -0.461 55.585 56.048 -0.004 0.000 1.346 307 H CB 1.218 30.948 29.762 -0.053 0.000 1.438 307 H HN 0.521 nan 8.280 nan 0.000 0.473 308 L N 4.816 126.139 121.223 0.165 0.000 2.294 308 L HA 0.317 4.657 4.340 -0.000 0.000 0.283 308 L C -0.077 176.899 176.870 0.176 0.000 1.015 308 L CA -0.703 54.215 54.840 0.130 0.000 0.831 308 L CB 0.941 43.040 42.059 0.067 0.000 1.217 308 L HN 0.544 nan 8.230 nan 0.000 0.420 309 R N 5.657 126.262 120.500 0.174 0.000 2.267 309 R HA 0.437 4.777 4.340 -0.000 0.000 0.319 309 R C -1.321 175.114 176.300 0.224 0.000 1.067 309 R CA -0.316 55.883 56.100 0.165 0.000 0.936 309 R CB 0.473 30.834 30.300 0.102 0.000 1.006 309 R HN 0.661 nan 8.270 nan 0.000 0.452 310 L N 5.432 126.769 121.223 0.191 0.000 2.488 310 L HA 0.356 4.696 4.340 -0.000 0.000 0.250 310 L C 0.839 177.754 176.870 0.076 0.000 1.280 310 L CA -0.361 54.557 54.840 0.130 0.000 0.929 310 L CB 1.584 43.640 42.059 -0.005 0.000 1.200 310 L HN 0.816 nan 8.230 nan 0.000 0.495 311 A N 0.636 123.506 122.820 0.083 0.000 2.067 311 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 311 A C 1.627 179.035 177.584 -0.293 0.000 1.158 311 A CA 1.617 53.586 52.037 -0.114 0.000 0.661 311 A CB -0.231 18.656 19.000 -0.188 0.000 0.801 311 A HN 0.551 nan 8.150 nan 0.000 0.452 312 F N -1.716 118.220 119.950 -0.023 0.000 2.419 312 F HA 0.238 4.765 4.527 -0.000 0.000 0.283 312 F C 1.881 177.615 175.800 -0.110 0.000 1.044 312 F CA 0.465 58.439 58.000 -0.044 0.000 1.376 312 F CB -0.262 38.723 39.000 -0.024 0.000 1.131 312 F HN 0.131 nan 8.300 nan 0.000 0.585 313 L N 0.844 122.051 121.223 -0.026 0.000 2.141 313 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 313 L C 2.463 178.995 176.870 -0.563 0.000 1.094 313 L CA 1.370 56.050 54.840 -0.267 0.000 0.763 313 L CB -0.427 41.413 42.059 -0.366 0.000 0.908 313 L HN 0.289 nan 8.230 nan 0.000 0.437 314 E N -0.487 119.355 120.200 -0.596 0.000 2.265 314 E HA -0.284 4.066 4.350 -0.000 0.000 0.196 314 E C 1.781 178.287 176.600 -0.156 0.000 0.996 314 E CA 1.043 57.094 56.400 -0.582 0.000 0.832 314 E CB -0.002 29.643 29.700 -0.092 0.000 0.756 314 E HN 0.293 nan 8.360 nan 0.000 0.491 315 K N 0.435 120.781 120.400 -0.089 0.000 2.228 315 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 315 K C 0.847 177.466 176.600 0.033 0.000 1.051 315 K CA 0.423 56.705 56.287 -0.008 0.000 0.960 315 K CB -0.240 32.255 32.500 -0.009 0.000 0.743 315 K HN 0.270 nan 8.250 nan 0.000 0.458 316 H N 1.394 120.427 119.070 -0.061 0.000 2.897 316 H HA -0.005 4.551 4.556 -0.000 0.000 0.347 316 H C -1.724 173.619 175.328 0.025 0.000 1.068 316 H CA -1.004 55.032 56.048 -0.020 0.000 1.426 316 H CB 1.237 30.976 29.762 -0.039 0.000 1.410 316 H HN -0.023 nan 8.280 nan 0.000 0.597 317 P HA 0.001 nan 4.420 nan 0.000 0.236 317 P C 0.506 177.788 177.300 -0.029 0.000 1.177 317 P CA 0.788 63.797 63.100 -0.152 0.000 0.773 317 P CB 0.286 31.860 31.700 -0.210 0.000 0.878 318 R N -1.829 118.730 120.500 0.099 0.000 2.466 318 R HA 0.160 4.500 4.340 -0.000 0.000 0.279 318 R C 1.457 177.919 176.300 0.272 0.000 0.976 318 R CA -0.460 55.764 56.100 0.207 0.000 1.081 318 R CB -0.451 29.988 30.300 0.231 0.000 1.215 318 R HN 0.023 nan 8.270 nan 0.000 0.546 319 F N 2.829 122.830 119.950 0.084 0.000 2.000 319 F HA -0.286 4.241 4.527 -0.000 0.000 0.296 319 F C 1.658 177.408 175.800 -0.084 0.000 1.159 319 F CA 1.738 59.724 58.000 -0.024 0.000 1.183 319 F CB -0.313 38.644 39.000 -0.071 0.000 0.959 319 F HN 0.025 nan 8.300 nan 0.000 0.490 320 D N -0.041 120.242 120.400 -0.195 0.000 2.228 320 D HA -0.217 4.423 4.640 -0.000 0.000 0.203 320 D C 2.198 178.373 176.300 -0.207 0.000 0.988 320 D CA 1.429 55.220 54.000 -0.349 0.000 0.864 320 D CB -0.404 40.254 40.800 -0.237 0.000 0.928 320 D HN 0.605 nan 8.370 nan 0.000 0.469 321 E N 0.399 120.544 120.200 -0.092 0.000 2.051 321 E HA -0.124 4.226 4.350 -0.000 0.000 0.189 321 E C 2.165 178.731 176.600 -0.057 0.000 0.979 321 E CA 0.213 56.575 56.400 -0.064 0.000 0.803 321 E CB -0.076 29.613 29.700 -0.017 0.000 0.761 321 E HN 0.132 nan 8.360 nan 0.000 0.451 322 M N 0.866 120.456 119.600 -0.016 0.000 2.082 322 M HA -0.215 4.265 4.480 -0.000 0.000 0.258 322 M C 2.160 178.426 176.300 -0.057 0.000 1.069 322 M CA 1.497 56.792 55.300 -0.008 0.000 1.102 322 M CB -0.110 32.520 32.600 0.049 0.000 1.336 322 M HN 0.185 nan 8.290 nan 0.000 0.404 323 L N -0.448 120.697 121.223 -0.130 0.000 1.990 323 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 323 L C 2.666 179.443 176.870 -0.155 0.000 1.072 323 L CA 1.663 56.394 54.840 -0.183 0.000 0.755 323 L CB -1.746 40.102 42.059 -0.351 0.000 0.889 323 L HN 0.536 nan 8.230 nan 0.000 0.432 324 G N -0.013 108.682 108.800 -0.176 0.000 2.446 324 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 324 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 324 G C 1.641 176.478 174.900 -0.105 0.000 1.168 324 G CA 0.643 45.634 45.100 -0.182 0.000 0.771 324 G HN 0.334 nan 8.290 nan 0.000 0.551 325 K N -0.063 120.297 120.400 -0.066 0.000 2.209 325 K HA 0.098 4.418 4.320 -0.000 0.000 0.204 325 K C 2.217 178.811 176.600 -0.010 0.000 1.048 325 K CA 0.468 56.739 56.287 -0.027 0.000 0.940 325 K CB -0.167 32.322 32.500 -0.020 0.000 0.729 325 K HN 0.298 nan 8.250 nan 0.000 0.451 326 L N 0.351 121.560 121.223 -0.023 0.000 2.554 326 L HA 0.080 4.420 4.340 -0.000 0.000 0.226 326 L C 0.060 176.939 176.870 0.016 0.000 1.137 326 L CA -0.077 54.761 54.840 -0.004 0.000 0.863 326 L CB -0.013 42.037 42.059 -0.015 0.000 0.985 326 L HN 0.125 nan 8.230 nan 0.000 0.451 327 R N 0.459 120.960 120.500 0.003 0.000 3.423 327 R HA -0.127 4.213 4.340 -0.000 0.000 0.271 327 R C -0.687 175.665 176.300 0.087 0.000 1.093 327 R CA 0.597 56.722 56.100 0.042 0.000 0.730 327 R CB -2.599 27.769 30.300 0.113 0.000 1.190 327 R HN 0.318 nan 8.270 nan 0.000 0.437 328 L N -0.794 120.440 121.223 0.017 0.000 2.334 328 L HA 0.706 5.046 4.340 -0.000 0.000 0.272 328 L C 1.446 178.351 176.870 0.059 0.000 1.020 328 L CA -0.533 54.335 54.840 0.047 0.000 0.812 328 L CB 1.751 43.802 42.059 -0.014 0.000 1.264 328 L HN 0.173 nan 8.230 nan 0.000 0.439 329 G N 0.591 109.483 108.800 0.153 0.000 2.488 329 G HA2 0.546 4.506 3.960 -0.000 0.000 0.318 329 G HA3 0.546 4.506 3.960 -0.000 0.000 0.318 329 G C -1.331 173.609 174.900 0.067 0.000 1.188 329 G CA -0.391 44.835 45.100 0.209 0.000 0.944 329 G HN 0.539 nan 8.290 nan 0.000 0.495 330 K N -0.069 120.378 120.400 0.078 0.000 2.507 330 K HA 0.586 4.906 4.320 -0.000 0.000 0.251 330 K C -0.530 176.199 176.600 0.215 0.000 0.943 330 K CA -0.667 55.633 56.287 0.022 0.000 0.794 330 K CB 1.556 33.924 32.500 -0.219 0.000 1.188 330 K HN 0.585 nan 8.250 nan 0.000 0.428 331 R N 1.283 121.948 120.500 0.275 0.000 2.817 331 R HA 0.432 4.772 4.340 -0.000 0.000 0.268 331 R C -0.232 176.309 176.300 0.402 0.000 1.027 331 R CA -1.111 55.223 56.100 0.390 0.000 0.928 331 R CB 1.601 32.036 30.300 0.224 0.000 1.228 331 R HN 0.739 nan 8.270 nan 0.000 0.469 332 G N -0.437 108.562 108.800 0.331 0.000 2.684 332 G HA2 0.076 4.036 3.960 -0.000 0.000 0.255 332 G HA3 0.076 4.036 3.960 -0.000 0.000 0.255 332 G C 0.485 175.411 174.900 0.044 0.000 1.219 332 G CA -0.308 44.910 45.100 0.197 0.000 0.901 332 G HN 0.529 nan 8.290 nan 0.000 0.548 333 T N -0.073 114.430 114.554 -0.084 0.000 2.995 333 T HA 0.018 4.368 4.350 -0.000 0.000 0.269 333 T C 2.126 176.841 174.700 0.025 0.000 1.091 333 T CA 1.199 63.139 62.100 -0.267 0.000 1.128 333 T CB 0.081 68.758 68.868 -0.318 0.000 0.891 333 T HN 0.601 nan 8.240 nan 0.000 0.492 334 G N -0.004 108.839 108.800 0.072 0.000 3.088 334 G HA2 0.522 4.482 3.960 -0.000 0.000 0.217 334 G HA3 0.522 4.482 3.960 -0.000 0.000 0.217 334 G C 0.712 175.672 174.900 0.100 0.000 1.159 334 G CA 0.182 45.357 45.100 0.125 0.000 0.760 334 G HN 0.802 nan 8.290 nan 0.000 0.550 335 G N -0.063 108.790 108.800 0.088 0.000 2.301 335 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.194 335 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.194 335 G C 0.440 175.332 174.900 -0.015 0.000 1.266 335 G CA 0.266 45.414 45.100 0.081 0.000 1.210 335 G HN 0.104 nan 8.290 nan 0.000 0.524 336 E N 0.117 120.288 120.200 -0.049 0.000 2.006 336 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 336 E C 2.292 178.626 176.600 -0.444 0.000 0.993 336 E CA 1.454 57.789 56.400 -0.108 0.000 0.808 336 E CB -0.199 29.473 29.700 -0.047 0.000 0.764 336 E HN 0.637 nan 8.360 nan 0.000 0.449 337 S N 0.424 115.767 115.700 -0.595 0.000 2.930 337 S HA 0.123 4.593 4.470 -0.000 0.000 0.257 337 S C -0.047 173.675 174.600 -1.464 0.000 1.208 337 S CA -0.125 57.272 58.200 -1.338 0.000 1.233 337 S CB -0.261 62.613 63.200 -0.543 0.000 0.900 337 S HN 0.216 nan 8.310 nan 0.000 0.472 338 S N 0.229 115.275 115.700 -1.090 0.000 2.776 338 S HA 0.829 5.299 4.470 -0.000 0.000 0.292 338 S C -0.953 173.540 174.600 -0.178 0.000 1.187 338 S CA -1.104 56.837 58.200 -0.431 0.000 0.834 338 S CB 0.855 63.944 63.200 -0.186 0.000 1.199 338 S HN 0.332 nan 8.310 nan 0.000 0.514 339 L N 0.340 121.557 121.223 -0.011 0.000 2.283 339 L HA 0.810 5.150 4.340 -0.000 0.000 0.259 339 L C 0.246 177.185 176.870 0.116 0.000 1.027 339 L CA -1.411 53.474 54.840 0.074 0.000 0.828 339 L CB 1.707 43.812 42.059 0.077 0.000 1.380 339 L HN 0.996 nan 8.230 nan 0.000 0.425 340 A N 0.869 123.799 122.820 0.184 0.000 2.548 340 A HA 0.406 4.726 4.320 -0.000 0.000 0.247 340 A C 0.230 177.720 177.584 -0.158 0.000 1.067 340 A CA 0.292 52.199 52.037 -0.217 0.000 0.757 340 A CB -0.387 18.177 19.000 -0.726 0.000 0.996 340 A HN 0.669 nan 8.150 nan 0.000 0.504 341 T N -0.374 114.069 114.554 -0.185 0.000 2.829 341 T HA 0.524 4.874 4.350 -0.000 0.000 0.280 341 T C -0.078 174.537 174.700 -0.141 0.000 0.999 341 T CA 0.198 62.226 62.100 -0.120 0.000 0.983 341 T CB 1.292 70.113 68.868 -0.078 0.000 0.968 341 T HN 0.805 nan 8.240 nan 0.000 0.446 342 D N 1.466 121.807 120.400 -0.099 0.000 2.945 342 D HA -0.212 4.428 4.640 -0.000 0.000 0.225 342 D C 0.506 176.749 176.300 -0.095 0.000 1.158 342 D CA 1.482 55.434 54.000 -0.081 0.000 0.805 342 D CB -1.511 39.250 40.800 -0.066 0.000 1.098 342 D HN 0.922 nan 8.370 nan 0.000 0.426 343 S N -2.321 113.300 115.700 -0.131 0.000 3.382 343 S HA -0.211 4.259 4.470 -0.000 0.000 0.293 343 S C 0.265 174.792 174.600 -0.121 0.000 1.262 343 S CA 1.206 59.346 58.200 -0.100 0.000 0.969 343 S CB -1.225 61.956 63.200 -0.032 0.000 1.136 343 S HN 0.526 nan 8.310 nan 0.000 0.635 344 T N 1.409 115.804 114.554 -0.264 0.000 2.797 344 T HA 0.632 4.982 4.350 -0.000 0.000 0.279 344 T C -0.719 173.743 174.700 -0.396 0.000 0.991 344 T CA -0.191 61.792 62.100 -0.195 0.000 0.979 344 T CB 0.838 69.622 68.868 -0.141 0.000 0.943 344 T HN 0.200 nan 8.240 nan 0.000 0.444 345 Y N 1.317 121.610 120.300 -0.013 0.000 2.361 345 Y HA 0.315 4.865 4.550 -0.000 0.000 0.337 345 Y C 0.193 176.109 175.900 0.026 0.000 0.965 345 Y CA -1.570 56.533 58.100 0.005 0.000 1.091 345 Y CB 1.167 39.660 38.460 0.056 0.000 1.182 345 Y HN 0.590 nan 8.280 nan 0.000 0.450 346 D N 4.035 124.536 120.400 0.168 0.000 2.368 346 D HA 0.055 4.695 4.640 -0.000 0.000 0.268 346 D C -0.490 175.934 176.300 0.208 0.000 1.298 346 D CA 0.445 54.620 54.000 0.291 0.000 0.938 346 D CB 0.311 41.294 40.800 0.304 0.000 1.101 346 D HN 0.292 nan 8.370 nan 0.000 0.509 347 I N 2.549 123.214 120.570 0.158 0.000 2.607 347 I HA 0.459 4.629 4.170 -0.000 0.000 0.305 347 I C 0.488 176.637 176.117 0.054 0.000 0.995 347 I CA -0.582 60.767 61.300 0.082 0.000 1.148 347 I CB 1.223 39.249 38.000 0.043 0.000 1.323 347 I HN 0.629 nan 8.210 nan 0.000 0.461 348 S N 3.515 119.242 115.700 0.045 0.000 2.595 348 S HA 0.320 4.790 4.470 -0.000 0.000 0.270 348 S C -1.148 173.482 174.600 0.050 0.000 1.145 348 S CA -1.083 57.136 58.200 0.032 0.000 0.825 348 S CB 1.667 64.886 63.200 0.032 0.000 1.107 348 S HN 0.660 nan 8.310 nan 0.000 0.461 349 N N 2.118 120.834 118.700 0.027 0.000 2.468 349 N HA -0.054 4.686 4.740 -0.000 0.000 0.265 349 N C 0.856 176.425 175.510 0.099 0.000 1.199 349 N CA -0.465 52.618 53.050 0.055 0.000 0.928 349 N CB 0.356 38.848 38.487 0.009 0.000 1.059 349 N HN 0.938 nan 8.380 nan 0.000 0.467 350 W N 3.178 124.456 121.300 -0.036 0.000 2.407 350 W HA 0.060 4.720 4.660 -0.000 0.000 0.305 350 W C -0.097 176.394 176.519 -0.048 0.000 1.196 350 W CA 1.049 58.364 57.345 -0.051 0.000 1.311 350 W CB -0.063 29.354 29.460 -0.073 0.000 1.135 350 W HN 0.599 nan 8.180 nan 0.000 0.514 351 A N 1.290 124.127 122.820 0.029 0.000 2.304 351 A HA 0.436 4.756 4.320 -0.000 0.000 0.271 351 A C 0.709 178.318 177.584 0.042 0.000 1.091 351 A CA -0.168 51.868 52.037 -0.003 0.000 0.812 351 A CB 0.565 19.667 19.000 0.170 0.000 1.056 351 A HN 0.407 nan 8.150 nan 0.000 0.489 352 R N -0.027 120.562 120.500 0.148 0.000 2.504 352 R HA 0.284 4.624 4.340 -0.000 0.000 0.341 352 R C -0.814 175.417 176.300 -0.115 0.000 0.905 352 R CA -0.191 55.918 56.100 0.013 0.000 1.133 352 R CB 0.305 30.591 30.300 -0.024 0.000 1.704 352 R HN 0.552 nan 8.270 nan 0.000 0.503 353 L N 0.319 121.383 121.223 -0.264 0.000 2.362 353 L HA 0.540 4.880 4.340 -0.000 0.000 0.271 353 L C 0.420 177.199 176.870 -0.152 0.000 1.002 353 L CA 0.123 54.657 54.840 -0.511 0.000 0.818 353 L CB 1.912 43.214 42.059 -1.261 0.000 1.298 353 L HN 0.424 nan 8.230 nan 0.000 0.420 354 G N 2.750 111.615 108.800 0.109 0.000 2.175 354 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.244 354 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.244 354 G C -0.030 174.953 174.900 0.139 0.000 0.982 354 G CA 0.135 45.394 45.100 0.265 0.000 0.641 354 G HN 0.531 nan 8.290 nan 0.000 0.527 355 K N 0.113 120.555 120.400 0.071 0.000 2.508 355 K HA 0.612 4.932 4.320 -0.000 0.000 0.260 355 K C 0.015 176.608 176.600 -0.011 0.000 0.949 355 K CA -0.192 56.106 56.287 0.018 0.000 0.834 355 K CB 2.013 34.554 32.500 0.068 0.000 1.365 355 K HN 0.410 nan 8.250 nan 0.000 0.437 356 S N 0.326 116.011 115.700 -0.025 0.000 2.632 356 S HA 0.132 4.602 4.470 -0.000 0.000 0.271 356 S C 0.794 175.428 174.600 0.057 0.000 1.260 356 S CA -0.432 57.778 58.200 0.016 0.000 1.010 356 S CB 1.226 64.438 63.200 0.020 0.000 0.965 356 S HN 0.597 nan 8.310 nan 0.000 0.534 357 E N 1.279 121.540 120.200 0.101 0.000 2.086 357 E HA -0.231 4.119 4.350 -0.000 0.000 0.205 357 E C 2.046 178.596 176.600 -0.083 0.000 1.027 357 E CA 1.881 58.309 56.400 0.048 0.000 0.830 357 E CB -0.288 29.535 29.700 0.204 0.000 0.751 357 E HN 0.704 nan 8.360 nan 0.000 0.456 358 R N 0.718 121.260 120.500 0.070 0.000 2.080 358 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 358 R C 2.108 178.403 176.300 -0.009 0.000 1.137 358 R CA 1.871 58.011 56.100 0.067 0.000 0.943 358 R CB -0.144 30.307 30.300 0.252 0.000 0.846 358 R HN 0.289 nan 8.270 nan 0.000 0.431 359 E N 0.315 120.529 120.200 0.023 0.000 2.085 359 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 359 E C 2.072 178.669 176.600 -0.004 0.000 0.994 359 E CA 1.375 57.787 56.400 0.020 0.000 0.801 359 E CB -0.132 29.587 29.700 0.032 0.000 0.743 359 E HN 0.389 nan 8.360 nan 0.000 0.453 360 L N 0.488 121.693 121.223 -0.030 0.000 2.217 360 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 360 L C 2.254 179.068 176.870 -0.093 0.000 1.107 360 L CA 0.356 55.171 54.840 -0.041 0.000 0.783 360 L CB -0.020 42.014 42.059 -0.041 0.000 0.919 360 L HN 0.041 nan 8.230 nan 0.000 0.442 361 V N -0.950 118.855 119.914 -0.182 0.000 2.719 361 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 361 V C 2.273 178.327 176.094 -0.066 0.000 1.065 361 V CA 1.119 63.291 62.300 -0.213 0.000 1.086 361 V CB -0.181 31.337 31.823 -0.510 0.000 0.700 361 V HN 0.367 nan 8.190 nan 0.000 0.467 362 Q N 0.222 120.004 119.800 -0.030 0.000 2.083 362 Q HA -0.100 4.240 4.340 -0.000 0.000 0.198 362 Q C 2.143 178.165 176.000 0.036 0.000 0.969 362 Q CA 1.646 57.464 55.803 0.025 0.000 0.838 362 Q CB -0.438 28.321 28.738 0.035 0.000 0.900 362 Q HN 0.403 nan 8.270 nan 0.000 0.436 363 V N 0.816 120.745 119.914 0.024 0.000 2.231 363 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 363 V C 2.281 178.395 176.094 0.033 0.000 1.054 363 V CA 2.077 64.398 62.300 0.034 0.000 1.015 363 V CB -0.800 31.045 31.823 0.038 0.000 0.638 363 V HN 0.519 nan 8.190 nan 0.000 0.444 364 L N -0.129 121.107 121.223 0.021 0.000 1.989 364 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 364 L C 2.496 179.396 176.870 0.052 0.000 1.071 364 L CA 2.274 57.127 54.840 0.020 0.000 0.749 364 L CB -0.602 41.458 42.059 0.001 0.000 0.890 364 L HN 0.229 nan 8.230 nan 0.000 0.431 365 V N 0.695 120.685 119.914 0.126 0.000 2.287 365 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 365 V C 2.380 178.588 176.094 0.190 0.000 1.053 365 V CA 2.124 64.593 62.300 0.281 0.000 1.027 365 V CB -0.664 31.333 31.823 0.290 0.000 0.646 365 V HN 0.476 nan 8.190 nan 0.000 0.447 366 D N 0.435 120.900 120.400 0.109 0.000 2.097 366 D HA -0.116 4.524 4.640 -0.000 0.000 0.195 366 D C 2.192 178.517 176.300 0.040 0.000 0.989 366 D CA 1.629 55.673 54.000 0.073 0.000 0.827 366 D CB -0.751 40.080 40.800 0.052 0.000 0.966 366 D HN 0.461 nan 8.370 nan 0.000 0.456 367 G N 0.993 109.808 108.800 0.024 0.000 2.514 367 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 367 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 367 G C 1.902 176.781 174.900 -0.035 0.000 1.198 367 G CA 1.172 46.270 45.100 -0.003 0.000 0.780 367 G HN 0.247 nan 8.290 nan 0.000 0.565 368 V N 1.668 121.537 119.914 -0.075 0.000 2.324 368 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 368 V C 2.714 178.723 176.094 -0.141 0.000 1.060 368 V CA 2.120 64.307 62.300 -0.189 0.000 1.042 368 V CB -0.509 31.018 31.823 -0.494 0.000 0.650 368 V HN 0.360 nan 8.190 nan 0.000 0.450 369 N N -0.310 118.372 118.700 -0.029 0.000 2.166 369 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 369 N C 1.611 177.096 175.510 -0.042 0.000 1.019 369 N CA 1.164 54.220 53.050 0.010 0.000 0.856 369 N CB -0.407 38.132 38.487 0.087 0.000 0.993 369 N HN 0.382 nan 8.380 nan 0.000 0.426 370 L N 1.132 122.332 121.223 -0.039 0.000 2.072 370 L HA 0.052 4.392 4.340 -0.000 0.000 0.205 370 L C 2.016 178.840 176.870 -0.077 0.000 1.079 370 L CA 1.098 55.909 54.840 -0.048 0.000 0.752 370 L CB -0.581 41.460 42.059 -0.029 0.000 0.906 370 L HN 0.080 nan 8.230 nan 0.000 0.436 371 L N -1.057 120.119 121.223 -0.078 0.000 2.042 371 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 371 L C 2.471 179.249 176.870 -0.153 0.000 1.076 371 L CA 1.513 56.302 54.840 -0.085 0.000 0.749 371 L CB -0.526 41.503 42.059 -0.049 0.000 0.893 371 L HN 0.274 nan 8.230 nan 0.000 0.432 372 I N -0.310 120.137 120.570 -0.205 0.000 2.286 372 I HA -0.231 3.939 4.170 -0.000 0.000 0.245 372 I C 2.857 178.802 176.117 -0.287 0.000 1.104 372 I CA 0.961 62.050 61.300 -0.352 0.000 1.397 372 I CB -0.515 37.224 38.000 -0.436 0.000 1.072 372 I HN 0.174 nan 8.210 nan 0.000 0.417 373 A N 0.438 123.148 122.820 -0.183 0.000 1.873 373 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 373 A C 2.493 179.993 177.584 -0.139 0.000 1.193 373 A CA 2.256 54.212 52.037 -0.135 0.000 0.629 373 A CB -1.374 17.573 19.000 -0.088 0.000 0.826 373 A HN 0.553 nan 8.150 nan 0.000 0.447 374 C N -1.118 118.097 119.300 -0.141 0.000 2.413 374 C HA -0.119 4.341 4.460 -0.000 0.000 0.277 374 C C 2.466 177.359 174.990 -0.160 0.000 1.228 374 C CA 1.253 60.178 59.018 -0.155 0.000 1.731 374 C CB -1.497 26.141 27.740 -0.170 0.000 2.042 374 C HN 0.788 nan 8.230 nan 0.000 0.468 375 D N 0.279 120.585 120.400 -0.156 0.000 2.126 375 D HA -0.174 4.466 4.640 -0.000 0.000 0.190 375 D C 2.215 178.426 176.300 -0.149 0.000 1.001 375 D CA 1.557 55.496 54.000 -0.101 0.000 0.841 375 D CB -0.071 40.683 40.800 -0.076 0.000 0.949 375 D HN 0.425 nan 8.370 nan 0.000 0.446 376 K N -0.018 120.282 120.400 -0.166 0.000 2.001 376 K HA -0.199 4.121 4.320 -0.000 0.000 0.214 376 K C 2.194 178.685 176.600 -0.182 0.000 1.050 376 K CA 1.197 57.394 56.287 -0.149 0.000 0.934 376 K CB -0.093 32.340 32.500 -0.112 0.000 0.718 376 K HN 0.100 nan 8.250 nan 0.000 0.443 377 K N 0.989 121.300 120.400 -0.149 0.000 2.074 377 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 377 K C 2.217 178.726 176.600 -0.151 0.000 1.048 377 K CA 1.213 57.422 56.287 -0.130 0.000 0.926 377 K CB -0.465 31.970 32.500 -0.108 0.000 0.713 377 K HN 0.222 nan 8.250 nan 0.000 0.444 378 L N 0.725 121.848 121.223 -0.167 0.000 2.046 378 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 378 L C 2.603 179.283 176.870 -0.316 0.000 1.077 378 L CA 1.268 56.028 54.840 -0.133 0.000 0.747 378 L CB -0.408 41.642 42.059 -0.016 0.000 0.896 378 L HN 0.341 nan 8.230 nan 0.000 0.432 379 E N 0.427 120.203 120.200 -0.706 0.000 2.153 379 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 379 E C 1.697 178.013 176.600 -0.472 0.000 0.988 379 E CA 1.042 56.728 56.400 -1.190 0.000 0.811 379 E CB 0.082 29.073 29.700 -1.182 0.000 0.746 379 E HN 0.454 nan 8.360 nan 0.000 0.466 380 A N 0.227 122.881 122.820 -0.277 0.000 2.327 380 A HA 0.299 4.619 4.320 -0.000 0.000 0.228 380 A C 1.207 178.736 177.584 -0.091 0.000 1.275 380 A CA 0.597 52.548 52.037 -0.144 0.000 0.875 380 A CB -0.490 18.446 19.000 -0.107 0.000 0.925 380 A HN 0.338 nan 8.150 nan 0.000 0.493 381 G N -0.540 108.208 108.800 -0.088 0.000 2.338 381 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.296 381 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.296 381 G C -0.086 174.801 174.900 -0.022 0.000 1.040 381 G CA 0.832 45.916 45.100 -0.026 0.000 1.004 381 G HN 0.849 nan 8.290 nan 0.000 0.509 382 Q N -0.740 119.039 119.800 -0.036 0.000 2.496 382 Q HA 0.727 5.067 4.340 -0.000 0.000 0.286 382 Q C 0.457 176.445 176.000 -0.020 0.000 1.103 382 Q CA -0.264 55.522 55.803 -0.028 0.000 0.813 382 Q CB 1.420 30.132 28.738 -0.043 0.000 1.444 382 Q HN 0.543 nan 8.270 nan 0.000 0.443 383 S N 0.958 116.651 115.700 -0.013 0.000 2.610 383 S HA 0.459 4.929 4.470 -0.000 0.000 0.273 383 S C 0.600 175.181 174.600 -0.032 0.000 1.274 383 S CA -0.633 57.566 58.200 -0.001 0.000 1.023 383 S CB 0.641 63.849 63.200 0.013 0.000 0.962 383 S HN 0.677 nan 8.310 nan 0.000 0.523 384 I N -2.899 117.645 120.570 -0.043 0.000 3.994 384 I HA 0.353 4.523 4.170 -0.000 0.000 0.323 384 I C 0.831 176.916 176.117 -0.053 0.000 1.501 384 I CA -0.273 60.972 61.300 -0.092 0.000 1.112 384 I CB 0.080 37.954 38.000 -0.211 0.000 1.254 384 I HN 0.651 nan 8.210 nan 0.000 0.495 385 D N 3.030 123.434 120.400 0.007 0.000 2.190 385 D HA -0.297 4.343 4.640 -0.000 0.000 0.200 385 D C 1.666 177.973 176.300 0.010 0.000 0.992 385 D CA 2.301 56.321 54.000 0.033 0.000 0.854 385 D CB 0.167 40.991 40.800 0.040 0.000 0.936 385 D HN 0.649 nan 8.370 nan 0.000 0.462 386 D N -0.589 119.808 120.400 -0.004 0.000 2.349 386 D HA -0.081 4.559 4.640 -0.000 0.000 0.215 386 D C 1.696 177.986 176.300 -0.015 0.000 1.016 386 D CA 0.260 54.255 54.000 -0.007 0.000 0.870 386 D CB -0.214 40.581 40.800 -0.008 0.000 0.917 386 D HN 0.441 nan 8.370 nan 0.000 0.524 387 M N 0.054 119.637 119.600 -0.028 0.000 2.514 387 M HA 0.253 4.733 4.480 -0.000 0.000 0.258 387 M C 1.002 177.284 176.300 -0.030 0.000 1.159 387 M CA -0.067 55.212 55.300 -0.035 0.000 1.116 387 M CB 0.600 33.166 32.600 -0.056 0.000 1.333 387 M HN -0.192 nan 8.290 nan 0.000 0.487 388 I N 3.359 123.914 120.570 -0.025 0.000 2.683 388 I HA 0.040 4.210 4.170 -0.000 0.000 0.286 388 I C -1.951 174.165 176.117 -0.002 0.000 1.175 388 I CA -1.546 59.749 61.300 -0.009 0.000 1.429 388 I CB -0.156 37.854 38.000 0.016 0.000 1.371 388 I HN -0.138 nan 8.210 nan 0.000 0.569 389 P HA 0.082 nan 4.420 nan 0.000 0.268 389 P C -0.545 176.756 177.300 0.002 0.000 1.208 389 P CA -0.223 62.876 63.100 -0.001 0.000 0.777 389 P CB 0.579 32.278 31.700 -0.001 0.000 0.875 390 K N 0.000 120.401 120.400 0.001 0.000 2.780 390 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 390 K CA 0.000 56.288 56.287 0.001 0.000 0.838 390 K CB 0.000 32.501 32.500 0.001 0.000 1.064 390 K HN 0.000 nan 8.250 nan 0.000 0.543