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 1xjq_1_B DATA FIRST_RESID 34 DATA SEQUENCE HVSRNKRGQV VGTRGGFRGC TVWLTGLSGA GKTTVSMALE EYLVCHGIPC DATA SEQUENCE YTLDGDNIRQ GLNKNLGFSP EDREENVRRI AEVAKLFADA GLVCITSFIS DATA SEQUENCE PYTQDRNNAR QIHEGASLPF FEVFVDAPLH VCEQRDVKGL YKKARAGEIK DATA SEQUENCE GFTGIDSEYE KPEAPELVLK TDSCDVNDCV QQVVELLQER DIVPVDASYE DATA SEQUENCE VKELYVPENK LHLAKTDAET LPALKINKVD MQWVQVLAEG WATPLNGFMR DATA SEQUENCE EREYLQCLHF DCLLDGGVIN LSVPIVLTAT HEDKERLDGC TAFALMYEGR DATA SEQUENCE RVAILRNPEF FEHRKEERCA RQWGTTCKNH PYIKMVMEQG DWLIGGDLQV DATA SEQUENCE LDRVYWNDGL DQYRLTPTEL KQKFKDMNAD AVSAFQLRNP VHNGHALLMQ DATA SEQUENCE DTHKQLLERG YRRPVLLLHP LGGWTKDDDV PLMWRMKQHA AVLEEGVLNP DATA SEQUENCE ETTVVAIFPS PMMYAGPTEV QWHCRARMVA GANFYIVGRD PAGMPHPETG DATA SEQUENCE KDLYEPSHGA KVLTMAPGLI TLEIVPFRVA AYNKKKKRMD YYDSEHHEDF DATA SEQUENCE EFISGTRMRK LAREGQKPPE GFMAPKAWTV LTEYYKSLEK 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 34 H HA 0.000 nan 4.556 nan 0.000 0.296 34 H C 0.000 175.312 175.328 -0.027 0.000 0.993 34 H CA 0.000 56.032 56.048 -0.026 0.000 1.023 34 H CB 0.000 29.744 29.762 -0.031 0.000 1.292 35 V N 2.267 122.262 119.914 0.135 0.000 2.673 35 V HA 0.066 4.163 4.120 -0.038 0.000 0.303 35 V C 1.194 177.302 176.094 0.024 0.000 1.046 35 V CA 0.243 62.576 62.300 0.054 0.000 1.126 35 V CB 0.695 32.541 31.823 0.039 0.000 0.934 35 V HN 0.815 nan 8.190 nan 0.000 0.487 36 S N 5.389 121.086 115.700 -0.005 0.000 2.584 36 S HA 0.184 4.631 4.470 -0.038 0.000 0.270 36 S C 1.113 175.655 174.600 -0.097 0.000 1.346 36 S CA -0.234 57.935 58.200 -0.052 0.000 1.018 36 S CB 0.549 63.717 63.200 -0.053 0.000 0.899 36 S HN 0.635 nan 8.310 nan 0.000 0.542 37 R N 1.455 121.818 120.500 -0.229 0.000 2.091 37 R HA -0.159 4.159 4.340 -0.038 0.000 0.238 37 R C 2.500 178.656 176.300 -0.239 0.000 1.136 37 R CA 1.727 57.545 56.100 -0.470 0.000 0.959 37 R CB -0.676 28.933 30.300 -1.153 0.000 0.856 37 R HN 0.895 nan 8.270 nan 0.000 0.437 38 N N 1.510 120.117 118.700 -0.154 0.000 2.104 38 N HA -0.222 4.496 4.740 -0.038 0.000 0.190 38 N C 1.122 176.654 175.510 0.037 0.000 1.024 38 N CA 1.675 54.713 53.050 -0.019 0.000 0.853 38 N CB 0.045 38.520 38.487 -0.019 0.000 1.008 38 N HN 0.196 nan 8.380 nan 0.000 0.424 39 K N 0.086 120.496 120.400 0.016 0.000 2.243 39 K HA 0.137 4.434 4.320 -0.038 0.000 0.201 39 K C 2.363 178.998 176.600 0.058 0.000 1.051 39 K CA 0.384 56.692 56.287 0.035 0.000 0.970 39 K CB 0.126 32.637 32.500 0.019 0.000 0.755 39 K HN 0.152 nan 8.250 nan 0.000 0.465 40 R N -0.093 120.451 120.500 0.073 0.000 2.148 40 R HA -0.037 4.280 4.340 -0.038 0.000 0.227 40 R C 2.214 178.605 176.300 0.152 0.000 1.103 40 R CA 1.276 57.437 56.100 0.102 0.000 0.983 40 R CB -0.195 30.165 30.300 0.099 0.000 0.874 40 R HN 0.271 nan 8.270 nan 0.000 0.451 41 G N 0.156 109.093 108.800 0.228 0.000 2.572 41 G HA2 -0.170 3.767 3.960 -0.038 0.000 0.216 41 G HA3 -0.170 3.767 3.960 -0.038 0.000 0.216 41 G C 1.220 176.191 174.900 0.118 0.000 1.133 41 G CA -0.060 45.169 45.100 0.215 0.000 0.791 41 G HN 0.137 nan 8.290 nan 0.000 0.538 42 Q N 0.085 119.941 119.800 0.093 0.000 2.364 42 Q HA -0.026 4.291 4.340 -0.038 0.000 0.207 42 Q C 2.592 178.621 176.000 0.048 0.000 0.970 42 Q CA 1.271 57.110 55.803 0.060 0.000 0.888 42 Q CB 0.042 28.807 28.738 0.045 0.000 0.951 42 Q HN 0.637 nan 8.270 nan 0.000 0.469 43 V N -4.737 115.208 119.914 0.053 0.000 3.612 43 V HA 0.249 4.347 4.120 -0.038 0.000 0.268 43 V C 0.800 176.916 176.094 0.036 0.000 1.365 43 V CA -0.245 62.078 62.300 0.037 0.000 1.044 43 V CB 0.487 32.328 31.823 0.030 0.000 0.820 43 V HN -0.159 nan 8.190 nan 0.000 0.444 44 V N 4.006 123.949 119.914 0.047 0.000 2.421 44 V HA 0.647 4.745 4.120 -0.038 0.000 0.271 44 V C 1.207 177.319 176.094 0.029 0.000 1.031 44 V CA 0.986 63.309 62.300 0.039 0.000 1.032 44 V CB -0.809 31.039 31.823 0.042 0.000 1.009 44 V HN 1.138 nan 8.190 nan 0.000 0.477 45 G N 4.982 113.796 108.800 0.024 0.000 2.860 45 G HA2 -0.204 3.733 3.960 -0.038 0.000 0.553 45 G HA3 -0.204 3.733 3.960 -0.038 0.000 0.553 45 G C 0.546 175.455 174.900 0.015 0.000 1.439 45 G CA -0.055 45.056 45.100 0.018 0.000 0.879 45 G HN 1.102 nan 8.290 nan 0.000 0.545 46 T N -1.887 112.672 114.554 0.009 0.000 3.051 46 T HA 0.221 4.548 4.350 -0.038 0.000 0.255 46 T C 1.193 175.897 174.700 0.006 0.000 1.085 46 T CA 0.947 63.049 62.100 0.003 0.000 1.109 46 T CB 0.166 69.030 68.868 -0.007 0.000 0.921 46 T HN 0.699 nan 8.240 nan 0.000 0.488 47 R N 1.640 122.146 120.500 0.011 0.000 2.390 47 R HA 0.551 4.869 4.340 -0.038 0.000 0.291 47 R C 0.811 177.124 176.300 0.022 0.000 1.070 47 R CA -0.420 55.689 56.100 0.015 0.000 1.014 47 R CB 0.739 31.050 30.300 0.019 0.000 1.007 47 R HN 0.374 nan 8.270 nan 0.000 0.466 48 G N 0.572 109.386 108.800 0.023 0.000 2.569 48 G HA2 0.451 4.389 3.960 -0.038 0.000 0.249 48 G HA3 0.451 4.389 3.960 -0.038 0.000 0.249 48 G C -0.033 174.897 174.900 0.050 0.000 1.216 48 G CA 0.200 45.321 45.100 0.035 0.000 0.845 48 G HN 0.789 nan 8.290 nan 0.000 0.568 49 G N -1.003 107.842 108.800 0.074 0.000 2.712 49 G HA2 0.151 4.088 3.960 -0.038 0.000 0.686 49 G HA3 0.151 4.088 3.960 -0.038 0.000 0.686 49 G C -0.485 174.499 174.900 0.139 0.000 1.181 49 G CA -0.366 44.799 45.100 0.107 0.000 0.762 49 G HN 1.162 nan 8.290 nan 0.000 0.641 50 F N 2.955 122.931 119.950 0.043 0.000 2.467 50 F HA 0.598 5.102 4.527 -0.038 0.000 0.362 50 F C 1.686 177.526 175.800 0.066 0.000 1.090 50 F CA 0.020 58.051 58.000 0.051 0.000 1.202 50 F CB 0.619 39.646 39.000 0.046 0.000 1.113 50 F HN 0.574 nan 8.300 nan 0.000 0.541 51 R N 3.985 124.143 120.500 -0.571 0.000 2.637 51 R HA 0.336 4.653 4.340 -0.038 0.000 0.446 51 R C 0.058 176.077 176.300 -0.469 0.000 1.024 51 R CA -0.439 55.440 56.100 -0.369 0.000 1.080 51 R CB -0.086 30.141 30.300 -0.122 0.000 1.421 51 R HN 0.720 nan 8.270 nan 0.000 0.593 52 G N 1.182 109.354 108.800 -1.046 0.000 2.398 52 G HA2 0.377 4.314 3.960 -0.038 0.000 0.246 52 G HA3 0.377 4.314 3.960 -0.038 0.000 0.246 52 G C 0.183 175.064 174.900 -0.031 0.000 1.289 52 G CA 0.318 45.157 45.100 -0.435 0.000 0.869 52 G HN 0.632 nan 8.290 nan 0.000 0.543 53 C N -0.924 118.440 119.300 0.107 0.000 3.249 53 C HA 0.849 5.287 4.460 -0.038 0.000 0.350 53 C C -0.387 174.728 174.990 0.209 0.000 1.431 53 C CA -0.924 58.203 59.018 0.181 0.000 1.209 53 C CB 1.317 29.197 27.740 0.233 0.000 1.546 53 C HN 0.807 nan 8.230 nan 0.000 0.450 54 T N 1.059 115.700 114.554 0.144 0.000 2.879 54 T HA 0.609 4.937 4.350 -0.038 0.000 0.290 54 T C -0.970 173.703 174.700 -0.045 0.000 0.993 54 T CA -0.252 61.901 62.100 0.089 0.000 0.975 54 T CB 1.564 70.479 68.868 0.079 0.000 0.981 54 T HN 0.812 nan 8.240 nan 0.000 0.439 55 V N 4.593 124.526 119.914 0.032 0.000 2.294 55 V HA 0.319 4.416 4.120 -0.038 0.000 0.272 55 V C -0.555 175.508 176.094 -0.053 0.000 1.027 55 V CA -0.898 61.421 62.300 0.032 0.000 0.823 55 V CB 0.731 32.584 31.823 0.050 0.000 1.030 55 V HN 0.796 nan 8.190 nan 0.000 0.457 56 W N 7.660 128.763 121.300 -0.329 0.000 2.317 56 W HA 0.498 5.135 4.660 -0.038 0.000 0.327 56 W C -1.089 175.380 176.519 -0.083 0.000 1.036 56 W CA -0.838 56.355 57.345 -0.252 0.000 1.419 56 W CB 1.076 30.241 29.460 -0.492 0.000 1.253 56 W HN 0.412 nan 8.180 nan 0.000 0.392 57 L N 5.416 126.532 121.223 -0.178 0.000 2.371 57 L HA 0.439 4.756 4.340 -0.038 0.000 0.272 57 L C 0.669 177.541 176.870 0.004 0.000 1.124 57 L CA 0.165 54.979 54.840 -0.043 0.000 0.816 57 L CB 1.417 43.413 42.059 -0.106 0.000 1.129 57 L HN 0.254 nan 8.230 nan 0.000 0.448 58 T N 1.169 115.847 114.554 0.207 0.000 2.923 58 T HA 0.796 5.123 4.350 -0.038 0.000 0.311 58 T C -0.683 174.229 174.700 0.353 0.000 1.183 58 T CA 0.060 62.348 62.100 0.313 0.000 1.020 58 T CB 1.834 70.982 68.868 0.468 0.000 1.165 58 T HN 1.004 nan 8.240 nan 0.000 0.482 59 G N 2.126 111.072 108.800 0.243 0.000 2.339 59 G HA2 0.353 4.290 3.960 -0.038 0.000 0.302 59 G HA3 0.353 4.290 3.960 -0.038 0.000 0.302 59 G C -1.392 173.328 174.900 -0.300 0.000 1.425 59 G CA -0.891 44.151 45.100 -0.097 0.000 0.899 59 G HN 0.912 nan 8.290 nan 0.000 0.619 60 L N 0.602 121.548 121.223 -0.462 0.000 2.516 60 L HA 0.270 4.588 4.340 -0.038 0.000 0.288 60 L C 1.593 178.408 176.870 -0.092 0.000 1.246 60 L CA 0.029 54.714 54.840 -0.258 0.000 0.844 60 L CB 0.473 42.441 42.059 -0.151 0.000 1.106 60 L HN 0.572 nan 8.230 nan 0.000 0.509 61 S N 0.951 116.614 115.700 -0.062 0.000 2.544 61 S HA 0.264 4.711 4.470 -0.038 0.000 0.290 61 S C 0.996 175.723 174.600 0.211 0.000 1.276 61 S CA 0.575 58.792 58.200 0.028 0.000 1.075 61 S CB -0.074 63.105 63.200 -0.035 0.000 0.849 61 S HN 0.992 nan 8.310 nan 0.000 0.494 62 G N 3.111 111.985 108.800 0.123 0.000 2.159 62 G HA2 -0.251 3.686 3.960 -0.038 0.000 0.256 62 G HA3 -0.251 3.686 3.960 -0.038 0.000 0.256 62 G C 0.831 175.733 174.900 0.003 0.000 0.977 62 G CA 0.324 45.484 45.100 0.099 0.000 0.652 62 G HN 1.226 nan 8.290 nan 0.000 0.531 63 A N -0.641 122.159 122.820 -0.033 0.000 2.016 63 A HA 0.549 4.847 4.320 -0.038 0.000 0.217 63 A C 2.400 179.930 177.584 -0.090 0.000 1.162 63 A CA 2.313 54.298 52.037 -0.087 0.000 0.662 63 A CB -0.168 18.764 19.000 -0.114 0.000 0.812 63 A HN 2.353 nan 8.150 nan 0.000 0.450 64 G N -1.492 107.264 108.800 -0.073 0.000 2.559 64 G HA2 -0.111 3.826 3.960 -0.038 0.000 0.202 64 G HA3 -0.111 3.826 3.960 -0.038 0.000 0.202 64 G C 0.850 175.700 174.900 -0.082 0.000 0.992 64 G CA 0.383 45.437 45.100 -0.078 0.000 0.764 64 G HN 0.343 nan 8.290 nan 0.000 0.525 65 K N 0.322 120.670 120.400 -0.087 0.000 2.002 65 K HA -0.047 4.251 4.320 -0.038 0.000 0.209 65 K C 2.551 179.072 176.600 -0.132 0.000 1.048 65 K CA 1.935 58.156 56.287 -0.109 0.000 0.930 65 K CB -0.379 32.046 32.500 -0.126 0.000 0.714 65 K HN 0.242 nan 8.250 nan 0.000 0.438 66 T N 0.901 115.376 114.554 -0.133 0.000 2.665 66 T HA -0.164 4.163 4.350 -0.038 0.000 0.268 66 T C 2.007 176.641 174.700 -0.110 0.000 1.035 66 T CA 2.046 64.064 62.100 -0.137 0.000 1.151 66 T CB -0.484 68.315 68.868 -0.116 0.000 0.862 66 T HN 0.300 nan 8.240 nan 0.000 0.438 67 T N 1.702 116.203 114.554 -0.088 0.000 2.737 67 T HA -0.057 4.271 4.350 -0.038 0.000 0.265 67 T C 2.208 176.864 174.700 -0.074 0.000 1.038 67 T CA 0.939 62.996 62.100 -0.072 0.000 1.144 67 T CB -0.523 68.307 68.868 -0.063 0.000 0.866 67 T HN 0.148 nan 8.240 nan 0.000 0.434 68 V N 2.342 122.207 119.914 -0.082 0.000 2.295 68 V HA -0.179 3.918 4.120 -0.038 0.000 0.246 68 V C 2.803 178.845 176.094 -0.086 0.000 1.049 68 V CA 2.092 64.344 62.300 -0.081 0.000 1.024 68 V CB -0.920 30.853 31.823 -0.084 0.000 0.648 68 V HN 0.624 nan 8.190 nan 0.000 0.447 69 S N -0.650 114.986 115.700 -0.106 0.000 2.383 69 S HA -0.155 4.292 4.470 -0.038 0.000 0.227 69 S C 1.977 176.518 174.600 -0.099 0.000 1.026 69 S CA 1.238 59.368 58.200 -0.115 0.000 0.981 69 S CB -0.388 62.716 63.200 -0.160 0.000 0.818 69 S HN 0.378 nan 8.310 nan 0.000 0.472 70 M N 2.118 121.661 119.600 -0.096 0.000 2.086 70 M HA 0.033 4.491 4.480 -0.038 0.000 0.261 70 M C 2.666 178.940 176.300 -0.042 0.000 1.067 70 M CA 1.785 57.039 55.300 -0.076 0.000 1.116 70 M CB -1.719 30.837 32.600 -0.072 0.000 1.348 70 M HN 0.545 nan 8.290 nan 0.000 0.407 71 A N -0.187 122.612 122.820 -0.034 0.000 1.968 71 A HA -0.097 4.200 4.320 -0.038 0.000 0.217 71 A C 2.194 179.795 177.584 0.029 0.000 1.169 71 A CA 1.004 53.039 52.037 -0.003 0.000 0.638 71 A CB -0.714 18.277 19.000 -0.014 0.000 0.812 71 A HN 0.409 nan 8.150 nan 0.000 0.446 72 L N 0.143 121.361 121.223 -0.007 0.000 2.056 72 L HA -0.107 4.210 4.340 -0.038 0.000 0.207 72 L C 2.274 179.178 176.870 0.055 0.000 1.078 72 L CA 2.601 57.444 54.840 0.005 0.000 0.749 72 L CB -0.564 41.463 42.059 -0.053 0.000 0.901 72 L HN 0.597 nan 8.230 nan 0.000 0.433 73 E N -0.570 119.635 120.200 0.008 0.000 2.058 73 E HA -0.311 4.016 4.350 -0.038 0.000 0.194 73 E C 2.124 178.751 176.600 0.046 0.000 0.997 73 E CA 1.614 58.019 56.400 0.008 0.000 0.801 73 E CB -0.240 29.433 29.700 -0.045 0.000 0.746 73 E HN 0.660 nan 8.360 nan 0.000 0.450 74 E N -0.593 119.632 120.200 0.042 0.000 2.058 74 E HA -0.248 4.079 4.350 -0.038 0.000 0.194 74 E C 2.008 178.660 176.600 0.088 0.000 0.997 74 E CA 1.278 57.705 56.400 0.044 0.000 0.801 74 E CB -0.304 29.411 29.700 0.026 0.000 0.746 74 E HN 0.387 nan 8.360 nan 0.000 0.450 75 Y N 1.364 121.684 120.300 0.034 0.000 2.081 75 Y HA -0.275 4.252 4.550 -0.038 0.000 0.280 75 Y C 2.036 178.026 175.900 0.150 0.000 1.163 75 Y CA 1.979 60.138 58.100 0.098 0.000 1.135 75 Y CB -0.429 38.044 38.460 0.022 0.000 0.970 75 Y HN 0.028 nan 8.280 nan 0.000 0.498 76 L N -1.240 120.158 121.223 0.291 0.000 2.017 76 L HA -0.242 4.075 4.340 -0.038 0.000 0.208 76 L C 2.379 179.293 176.870 0.074 0.000 1.073 76 L CA 1.363 56.323 54.840 0.199 0.000 0.745 76 L CB -0.888 41.260 42.059 0.149 0.000 0.894 76 L HN 0.128 nan 8.230 nan 0.000 0.432 77 V N -1.066 118.873 119.914 0.042 0.000 2.427 77 V HA -0.283 3.814 4.120 -0.038 0.000 0.248 77 V C 2.477 178.537 176.094 -0.056 0.000 1.051 77 V CA 1.651 63.953 62.300 0.003 0.000 1.048 77 V CB -0.479 31.345 31.823 0.003 0.000 0.666 77 V HN 0.570 nan 8.190 nan 0.000 0.456 78 C N -0.475 118.762 119.300 -0.104 0.000 2.437 78 C HA -0.086 4.351 4.460 -0.038 0.000 0.283 78 C C 1.987 176.726 174.990 -0.418 0.000 1.424 78 C CA 0.630 59.503 59.018 -0.243 0.000 1.782 78 C CB -1.502 26.061 27.740 -0.295 0.000 1.833 78 C HN 0.670 nan 8.230 nan 0.000 0.532 79 H N -0.615 118.293 119.070 -0.270 0.000 2.487 79 H HA 0.343 4.876 4.556 -0.038 0.000 0.290 79 H C 1.587 176.849 175.328 -0.109 0.000 1.081 79 H CA 0.661 56.570 56.048 -0.231 0.000 1.116 79 H CB -0.267 29.293 29.762 -0.336 0.000 1.560 79 H HN 0.380 nan 8.280 nan 0.000 0.548 80 G N 0.929 109.721 108.800 -0.012 0.000 2.136 80 G HA2 -0.262 3.676 3.960 -0.038 0.000 0.242 80 G HA3 -0.262 3.676 3.960 -0.038 0.000 0.242 80 G C 0.042 174.956 174.900 0.023 0.000 0.989 80 G CA 0.087 45.187 45.100 -0.000 0.000 0.682 80 G HN 0.392 nan 8.290 nan 0.000 0.522 81 I N 1.429 122.022 120.570 0.040 0.000 2.437 81 I HA 0.256 4.403 4.170 -0.038 0.000 0.279 81 I C -2.284 173.861 176.117 0.048 0.000 1.028 81 I CA -2.251 59.075 61.300 0.045 0.000 1.142 81 I CB 1.904 39.942 38.000 0.063 0.000 1.266 81 I HN -0.159 nan 8.210 nan 0.000 0.461 82 P HA 0.091 nan 4.420 nan 0.000 0.268 82 P C -0.665 176.682 177.300 0.078 0.000 1.205 82 P CA -0.148 62.989 63.100 0.062 0.000 0.771 82 P CB 0.560 32.297 31.700 0.061 0.000 0.858 83 C N 1.712 121.072 119.300 0.100 0.000 3.332 83 C HA 0.834 5.271 4.460 -0.038 0.000 0.329 83 C C -1.693 173.390 174.990 0.156 0.000 1.434 83 C CA -0.906 58.175 59.018 0.105 0.000 1.314 83 C CB 0.992 28.768 27.740 0.060 0.000 1.664 83 C HN 0.586 nan 8.230 nan 0.000 0.457 84 Y N -0.640 119.602 120.300 -0.098 0.000 2.521 84 Y HA 0.599 5.127 4.550 -0.038 0.000 0.332 84 Y C -0.619 175.126 175.900 -0.259 0.000 1.121 84 Y CA 0.033 58.002 58.100 -0.218 0.000 1.037 84 Y CB 2.043 40.245 38.460 -0.431 0.000 1.330 84 Y HN 0.967 nan 8.280 nan 0.000 0.452 85 T N 6.340 120.447 114.554 -0.745 0.000 2.779 85 T HA 0.571 4.898 4.350 -0.038 0.000 0.280 85 T C -0.878 173.490 174.700 -0.553 0.000 0.987 85 T CA -0.547 61.250 62.100 -0.506 0.000 0.966 85 T CB 0.462 69.088 68.868 -0.404 0.000 0.933 85 T HN 0.436 nan 8.240 nan 0.000 0.442 86 L N 4.950 126.011 121.223 -0.270 0.000 2.272 86 L HA 0.600 4.917 4.340 -0.038 0.000 0.289 86 L C -0.126 176.671 176.870 -0.123 0.000 1.032 86 L CA -0.703 54.092 54.840 -0.075 0.000 0.810 86 L CB 0.979 43.114 42.059 0.127 0.000 1.205 86 L HN 0.744 nan 8.230 nan 0.000 0.422 87 D N 1.388 121.687 120.400 -0.168 0.000 2.895 87 D HA 0.241 4.859 4.640 -0.038 0.000 0.320 87 D C 0.903 177.058 176.300 -0.241 0.000 1.249 87 D CA -0.207 53.483 54.000 -0.516 0.000 0.997 87 D CB 0.670 41.204 40.800 -0.442 0.000 1.430 87 D HN 0.301 nan 8.370 nan 0.000 0.558 88 G N -0.779 107.834 108.800 -0.311 0.000 2.442 88 G HA2 -0.220 3.718 3.960 -0.038 0.000 0.219 88 G HA3 -0.220 3.718 3.960 -0.038 0.000 0.219 88 G C 0.745 175.646 174.900 0.002 0.000 1.141 88 G CA 0.918 45.991 45.100 -0.046 0.000 0.763 88 G HN 0.503 nan 8.290 nan 0.000 0.554 89 D N 0.420 120.791 120.400 -0.048 0.000 2.363 89 D HA -0.039 4.579 4.640 -0.038 0.000 0.220 89 D C 1.915 178.215 176.300 -0.000 0.000 0.994 89 D CA 0.902 54.888 54.000 -0.023 0.000 0.890 89 D CB 0.116 40.885 40.800 -0.051 0.000 0.906 89 D HN 0.545 nan 8.370 nan 0.000 0.530 90 N N -0.643 118.065 118.700 0.013 0.000 2.360 90 N HA -0.026 4.692 4.740 -0.038 0.000 0.211 90 N C 1.405 176.975 175.510 0.100 0.000 1.147 90 N CA -0.066 53.017 53.050 0.055 0.000 0.866 90 N CB 0.132 38.654 38.487 0.057 0.000 1.206 90 N HN -0.022 nan 8.380 nan 0.000 0.478 91 I N 1.259 121.909 120.570 0.133 0.000 2.339 91 I HA 0.050 4.197 4.170 -0.038 0.000 0.245 91 I C 2.458 178.643 176.117 0.113 0.000 1.096 91 I CA 0.699 62.092 61.300 0.154 0.000 1.408 91 I CB -0.655 37.490 38.000 0.243 0.000 1.092 91 I HN 0.231 nan 8.210 nan 0.000 0.423 92 R N 1.464 122.038 120.500 0.124 0.000 2.115 92 R HA -0.137 4.181 4.340 -0.038 0.000 0.230 92 R C 1.377 177.710 176.300 0.056 0.000 1.111 92 R CA 1.390 57.545 56.100 0.091 0.000 0.976 92 R CB 0.034 30.405 30.300 0.119 0.000 0.870 92 R HN 0.480 nan 8.270 nan 0.000 0.445 93 Q N -1.232 118.602 119.800 0.057 0.000 2.219 93 Q HA 0.181 4.498 4.340 -0.038 0.000 0.209 93 Q C 0.779 176.804 176.000 0.042 0.000 0.854 93 Q CA 0.084 55.913 55.803 0.043 0.000 0.960 93 Q CB 1.502 30.264 28.738 0.041 0.000 1.116 93 Q HN 0.406 nan 8.270 nan 0.000 0.500 94 G N 0.485 109.316 108.800 0.051 0.000 2.487 94 G HA2 -0.015 3.923 3.960 -0.038 0.000 0.212 94 G HA3 -0.015 3.923 3.960 -0.038 0.000 0.212 94 G C 0.801 175.727 174.900 0.045 0.000 1.988 94 G CA -0.207 44.924 45.100 0.051 0.000 0.724 94 G HN 0.175 nan 8.290 nan 0.000 0.755 95 L N 1.039 122.296 121.223 0.056 0.000 2.081 95 L HA 0.035 4.353 4.340 -0.038 0.000 0.212 95 L C 1.498 178.383 176.870 0.026 0.000 1.080 95 L CA 1.890 56.758 54.840 0.047 0.000 0.754 95 L CB -0.517 41.580 42.059 0.064 0.000 0.893 95 L HN 0.360 nan 8.230 nan 0.000 0.433 96 N N -1.073 117.641 118.700 0.023 0.000 2.273 96 N HA 0.010 4.728 4.740 -0.038 0.000 0.231 96 N C 1.076 176.573 175.510 -0.022 0.000 1.134 96 N CA 0.129 53.176 53.050 -0.006 0.000 0.856 96 N CB 0.278 38.757 38.487 -0.015 0.000 1.068 96 N HN 0.472 nan 8.380 nan 0.000 0.510 97 K N 0.817 121.213 120.400 -0.007 0.000 2.209 97 K HA -0.104 4.193 4.320 -0.038 0.000 0.204 97 K C 0.931 177.510 176.600 -0.036 0.000 1.048 97 K CA 1.298 57.577 56.287 -0.014 0.000 0.940 97 K CB -0.172 32.332 32.500 0.005 0.000 0.729 97 K HN 0.104 nan 8.250 nan 0.000 0.451 98 N N 1.311 119.992 118.700 -0.032 0.000 2.362 98 N HA 0.052 4.769 4.740 -0.038 0.000 0.204 98 N C -0.491 174.982 175.510 -0.061 0.000 1.166 98 N CA 0.087 53.115 53.050 -0.036 0.000 0.831 98 N CB 0.046 38.521 38.487 -0.019 0.000 1.008 98 N HN 0.216 nan 8.380 nan 0.000 0.472 99 L N 0.095 121.256 121.223 -0.102 0.000 2.305 99 L HA 0.615 4.932 4.340 -0.038 0.000 0.284 99 L C 0.939 177.647 176.870 -0.270 0.000 1.013 99 L CA -0.997 53.760 54.840 -0.139 0.000 0.819 99 L CB 1.773 43.758 42.059 -0.124 0.000 1.227 99 L HN 0.176 nan 8.230 nan 0.000 0.417 100 G N 1.416 110.067 108.800 -0.247 0.000 2.882 100 G HA2 0.289 4.226 3.960 -0.038 0.000 0.164 100 G HA3 0.289 4.226 3.960 -0.038 0.000 0.164 100 G C -0.010 174.598 174.900 -0.487 0.000 1.429 100 G CA -0.086 44.782 45.100 -0.386 0.000 1.059 100 G HN 0.482 nan 8.290 nan 0.000 0.581 101 F N -0.148 119.828 119.950 0.045 0.000 2.682 101 F HA 0.411 4.915 4.527 -0.038 0.000 0.308 101 F C 1.036 176.869 175.800 0.055 0.000 1.093 101 F CA -0.187 57.845 58.000 0.054 0.000 1.244 101 F CB 0.994 40.029 39.000 0.059 0.000 1.052 101 F HN -0.005 nan 8.300 nan 0.000 0.573 102 S N 1.366 117.156 115.700 0.150 0.000 2.451 102 S HA 0.261 4.708 4.470 -0.038 0.000 0.301 102 S C -1.653 172.995 174.600 0.079 0.000 1.116 102 S CA -1.133 57.139 58.200 0.121 0.000 1.093 102 S CB 1.497 64.758 63.200 0.101 0.000 1.017 102 S HN -0.148 nan 8.310 nan 0.000 0.482 103 P HA -0.117 nan 4.420 nan 0.000 0.223 103 P C 0.543 177.880 177.300 0.061 0.000 1.140 103 P CA 1.037 64.191 63.100 0.089 0.000 0.783 103 P CB 0.221 31.959 31.700 0.063 0.000 0.759 104 E N -0.815 119.407 120.200 0.036 0.000 2.158 104 E HA -0.113 4.214 4.350 -0.038 0.000 0.191 104 E C 1.607 178.216 176.600 0.016 0.000 0.982 104 E CA 0.825 57.236 56.400 0.019 0.000 0.823 104 E CB -0.637 29.069 29.700 0.009 0.000 0.766 104 E HN 0.216 nan 8.360 nan 0.000 0.468 105 D N 0.039 120.447 120.400 0.013 0.000 2.144 105 D HA -0.092 4.525 4.640 -0.038 0.000 0.199 105 D C 1.815 178.111 176.300 -0.006 0.000 0.984 105 D CA 0.717 54.709 54.000 -0.013 0.000 0.834 105 D CB 0.088 40.861 40.800 -0.044 0.000 0.955 105 D HN -0.042 nan 8.370 nan 0.000 0.465 106 R N 0.578 121.101 120.500 0.039 0.000 2.075 106 R HA -0.080 4.237 4.340 -0.038 0.000 0.232 106 R C 2.148 178.491 176.300 0.071 0.000 1.126 106 R CA 0.803 56.946 56.100 0.073 0.000 0.963 106 R CB -0.636 29.752 30.300 0.146 0.000 0.858 106 R HN 0.431 nan 8.270 nan 0.000 0.435 107 E N 0.781 121.024 120.200 0.072 0.000 2.051 107 E HA -0.231 4.097 4.350 -0.038 0.000 0.192 107 E C 1.727 178.346 176.600 0.031 0.000 0.991 107 E CA 1.407 57.843 56.400 0.060 0.000 0.799 107 E CB 0.019 29.742 29.700 0.038 0.000 0.748 107 E HN 0.113 nan 8.360 nan 0.000 0.449 108 E N 1.223 121.431 120.200 0.014 0.000 2.160 108 E HA -0.237 4.090 4.350 -0.038 0.000 0.195 108 E C 1.735 178.331 176.600 -0.007 0.000 0.991 108 E CA 1.586 57.987 56.400 0.001 0.000 0.810 108 E CB -0.438 29.258 29.700 -0.007 0.000 0.742 108 E HN 0.352 nan 8.360 nan 0.000 0.466 109 N N -0.149 118.540 118.700 -0.018 0.000 2.058 109 N HA -0.158 4.559 4.740 -0.038 0.000 0.191 109 N C 1.783 177.246 175.510 -0.078 0.000 1.037 109 N CA 2.250 55.266 53.050 -0.057 0.000 0.848 109 N CB -0.078 38.374 38.487 -0.059 0.000 1.021 109 N HN 0.171 nan 8.380 nan 0.000 0.422 110 V N 1.808 121.709 119.914 -0.021 0.000 2.392 110 V HA -0.177 3.921 4.120 -0.038 0.000 0.249 110 V C 2.752 178.903 176.094 0.095 0.000 1.059 110 V CA 1.656 63.989 62.300 0.054 0.000 1.051 110 V CB -0.756 31.147 31.823 0.132 0.000 0.658 110 V HN 0.386 nan 8.190 nan 0.000 0.455 111 R N 0.089 120.619 120.500 0.049 0.000 2.075 111 R HA -0.125 4.192 4.340 -0.038 0.000 0.232 111 R C 2.565 178.900 176.300 0.059 0.000 1.126 111 R CA 1.431 57.557 56.100 0.044 0.000 0.963 111 R CB -0.128 30.182 30.300 0.016 0.000 0.858 111 R HN 0.447 nan 8.270 nan 0.000 0.435 112 R N 0.042 120.564 120.500 0.036 0.000 2.092 112 R HA -0.051 4.266 4.340 -0.038 0.000 0.231 112 R C 2.356 178.701 176.300 0.076 0.000 1.119 112 R CA 1.313 57.439 56.100 0.043 0.000 0.970 112 R CB -0.275 30.036 30.300 0.019 0.000 0.864 112 R HN 0.291 nan 8.270 nan 0.000 0.440 113 I N 0.719 121.318 120.570 0.048 0.000 2.226 113 I HA -0.265 3.882 4.170 -0.038 0.000 0.245 113 I C 2.616 178.898 176.117 0.276 0.000 1.100 113 I CA 1.288 62.627 61.300 0.065 0.000 1.374 113 I CB -0.381 37.498 38.000 -0.201 0.000 1.057 113 I HN 0.176 nan 8.210 nan 0.000 0.413 114 A N 0.252 123.290 122.820 0.363 0.000 1.902 114 A HA -0.186 4.111 4.320 -0.038 0.000 0.217 114 A C 2.237 180.016 177.584 0.326 0.000 1.181 114 A CA 1.423 53.738 52.037 0.463 0.000 0.623 114 A CB -0.409 18.749 19.000 0.263 0.000 0.818 114 A HN 0.341 nan 8.150 nan 0.000 0.443 115 E N -0.084 120.226 120.200 0.183 0.000 2.077 115 E HA -0.112 4.216 4.350 -0.038 0.000 0.193 115 E C 2.202 178.888 176.600 0.145 0.000 0.989 115 E CA 1.351 57.818 56.400 0.111 0.000 0.800 115 E CB -0.514 29.225 29.700 0.064 0.000 0.746 115 E HN 0.415 nan 8.360 nan 0.000 0.452 116 V N 1.607 121.641 119.914 0.200 0.000 2.427 116 V HA -0.217 3.881 4.120 -0.038 0.000 0.248 116 V C 2.462 178.797 176.094 0.401 0.000 1.051 116 V CA 1.675 64.134 62.300 0.264 0.000 1.048 116 V CB -0.834 31.161 31.823 0.287 0.000 0.666 116 V HN 0.226 nan 8.190 nan 0.000 0.456 117 A N 0.393 123.467 122.820 0.423 0.000 1.902 117 A HA -0.260 4.038 4.320 -0.038 0.000 0.217 117 A C 2.357 180.222 177.584 0.468 0.000 1.181 117 A CA 2.139 54.483 52.037 0.512 0.000 0.623 117 A CB -0.493 18.859 19.000 0.587 0.000 0.818 117 A HN 0.576 nan 8.150 nan 0.000 0.443 118 K N -0.070 120.467 120.400 0.229 0.000 2.097 118 K HA -0.069 4.229 4.320 -0.038 0.000 0.206 118 K C 1.809 178.422 176.600 0.021 0.000 1.049 118 K CA 1.363 57.562 56.287 -0.148 0.000 0.933 118 K CB -0.342 31.896 32.500 -0.435 0.000 0.717 118 K HN 0.469 nan 8.250 nan 0.000 0.442 119 L N 0.100 121.355 121.223 0.054 0.000 2.056 119 L HA -0.131 4.187 4.340 -0.038 0.000 0.207 119 L C 2.383 179.212 176.870 -0.068 0.000 1.078 119 L CA 1.168 55.987 54.840 -0.035 0.000 0.749 119 L CB -0.468 41.531 42.059 -0.100 0.000 0.901 119 L HN 0.099 nan 8.230 nan 0.000 0.433 120 F N 0.161 120.162 119.950 0.086 0.000 2.126 120 F HA -0.245 4.259 4.527 -0.038 0.000 0.299 120 F C 2.608 178.472 175.800 0.106 0.000 1.096 120 F CA 1.441 59.495 58.000 0.091 0.000 1.255 120 F CB -0.642 38.439 39.000 0.136 0.000 0.997 120 F HN 0.016 nan 8.300 nan 0.000 0.479 121 A N -0.486 122.521 122.820 0.313 0.000 1.933 121 A HA -0.255 4.042 4.320 -0.038 0.000 0.218 121 A C 1.877 179.617 177.584 0.261 0.000 1.175 121 A CA 2.017 54.206 52.037 0.252 0.000 0.628 121 A CB -1.007 18.174 19.000 0.301 0.000 0.814 121 A HN 0.382 nan 8.150 nan 0.000 0.444 122 D N -0.098 120.421 120.400 0.198 0.000 2.178 122 D HA -0.012 4.605 4.640 -0.038 0.000 0.201 122 D C 1.747 178.192 176.300 0.241 0.000 0.980 122 D CA 1.367 55.486 54.000 0.198 0.000 0.842 122 D CB -0.150 40.675 40.800 0.043 0.000 0.948 122 D HN 0.343 nan 8.370 nan 0.000 0.472 123 A N -1.169 121.734 122.820 0.137 0.000 2.208 123 A HA 0.455 4.752 4.320 -0.038 0.000 0.209 123 A C 1.854 179.531 177.584 0.155 0.000 1.161 123 A CA 1.043 53.126 52.037 0.076 0.000 0.782 123 A CB -0.261 18.693 19.000 -0.077 0.000 0.816 123 A HN 0.463 nan 8.150 nan 0.000 0.477 124 G N -2.204 106.693 108.800 0.161 0.000 2.179 124 G HA2 -0.134 3.804 3.960 -0.038 0.000 0.220 124 G HA3 -0.134 3.804 3.960 -0.038 0.000 0.220 124 G C -0.142 174.677 174.900 -0.136 0.000 0.990 124 G CA 0.095 45.119 45.100 -0.127 0.000 0.646 124 G HN 0.302 nan 8.290 nan 0.000 0.517 125 L N 0.827 122.072 121.223 0.037 0.000 2.421 125 L HA 0.638 4.956 4.340 -0.038 0.000 0.263 125 L C 0.971 177.893 176.870 0.087 0.000 1.122 125 L CA -0.728 54.172 54.840 0.100 0.000 0.804 125 L CB 1.670 43.885 42.059 0.259 0.000 1.150 125 L HN -0.027 nan 8.230 nan 0.000 0.457 126 V N 1.534 121.495 119.914 0.079 0.000 2.405 126 V HA 0.085 4.183 4.120 -0.038 0.000 0.264 126 V C 0.099 176.257 176.094 0.107 0.000 1.048 126 V CA -0.457 61.897 62.300 0.089 0.000 0.966 126 V CB 0.778 32.640 31.823 0.065 0.000 1.015 126 V HN 0.817 nan 8.190 nan 0.000 0.477 127 C N 7.968 127.351 119.300 0.139 0.000 2.307 127 C HA 0.656 5.094 4.460 -0.038 0.000 0.340 127 C C -0.018 175.000 174.990 0.046 0.000 1.275 127 C CA -0.626 58.456 59.018 0.107 0.000 1.811 127 C CB -0.988 26.892 27.740 0.234 0.000 2.372 127 C HN 0.794 nan 8.230 nan 0.000 0.531 128 I N 6.147 126.692 120.570 -0.041 0.000 2.378 128 I HA 0.403 4.550 4.170 -0.038 0.000 0.291 128 I C 0.452 176.482 176.117 -0.144 0.000 0.992 128 I CA 0.085 61.334 61.300 -0.086 0.000 1.154 128 I CB 2.123 40.057 38.000 -0.111 0.000 1.315 128 I HN 0.753 nan 8.210 nan 0.000 0.448 129 T N 1.050 115.488 114.554 -0.193 0.000 2.856 129 T HA 0.438 4.766 4.350 -0.038 0.000 0.283 129 T C -0.223 174.250 174.700 -0.378 0.000 1.008 129 T CA -0.727 61.212 62.100 -0.268 0.000 0.997 129 T CB 1.799 70.389 68.868 -0.464 0.000 0.992 129 T HN 0.413 nan 8.240 nan 0.000 0.454 130 S N 2.460 117.881 115.700 -0.466 0.000 2.062 130 S HA 0.586 5.033 4.470 -0.038 0.000 0.163 130 S C -1.493 172.632 174.600 -0.792 0.000 1.612 130 S CA -0.779 57.091 58.200 -0.550 0.000 1.251 130 S CB -0.875 62.029 63.200 -0.493 0.000 1.174 130 S HN 0.581 nan 8.310 nan 0.000 0.428 131 F N 0.581 120.369 119.950 -0.269 0.000 2.588 131 F HA 0.534 5.038 4.527 -0.038 0.000 0.314 131 F C 1.139 176.901 175.800 -0.064 0.000 1.069 131 F CA -1.076 56.836 58.000 -0.147 0.000 0.931 131 F CB 1.036 39.951 39.000 -0.142 0.000 1.260 131 F HN 0.121 nan 8.300 nan 0.000 0.465 132 I N 0.900 121.568 120.570 0.163 0.000 2.163 132 I HA -0.274 3.874 4.170 -0.038 0.000 0.243 132 I C 1.071 177.345 176.117 0.262 0.000 1.085 132 I CA 1.515 62.898 61.300 0.139 0.000 1.347 132 I CB -0.455 37.566 38.000 0.036 0.000 1.044 132 I HN 0.772 nan 8.210 nan 0.000 0.408 133 S N -0.355 115.488 115.700 0.239 0.000 3.484 133 S HA -0.114 4.333 4.470 -0.038 0.000 0.384 133 S C -1.158 173.504 174.600 0.103 0.000 0.932 133 S CA 0.430 58.789 58.200 0.265 0.000 1.293 133 S CB -1.839 61.721 63.200 0.600 0.000 0.919 133 S HN 0.388 nan 8.310 nan 0.000 0.540 134 P HA 0.023 nan 4.420 nan 0.000 0.229 134 P C 0.121 177.065 177.300 -0.595 0.000 1.160 134 P CA 0.870 63.700 63.100 -0.450 0.000 0.777 134 P CB -0.098 31.285 31.700 -0.529 0.000 0.814 135 Y N -1.004 119.213 120.300 -0.138 0.000 2.341 135 Y HA 0.210 4.737 4.550 -0.038 0.000 0.337 135 Y C 2.074 177.884 175.900 -0.150 0.000 1.014 135 Y CA -0.816 57.195 58.100 -0.149 0.000 1.111 135 Y CB 1.296 39.709 38.460 -0.078 0.000 1.194 135 Y HN -0.330 nan 8.280 nan 0.000 0.462 136 T N 0.936 115.494 114.554 0.007 0.000 2.788 136 T HA -0.247 4.080 4.350 -0.038 0.000 0.268 136 T C 1.846 176.510 174.700 -0.059 0.000 1.044 136 T CA 1.828 63.887 62.100 -0.069 0.000 1.139 136 T CB -0.089 68.732 68.868 -0.078 0.000 0.867 136 T HN 0.743 nan 8.240 nan 0.000 0.454 137 Q N 0.668 120.450 119.800 -0.031 0.000 2.124 137 Q HA -0.165 4.152 4.340 -0.038 0.000 0.202 137 Q C 1.579 177.539 176.000 -0.067 0.000 0.977 137 Q CA 1.620 57.388 55.803 -0.059 0.000 0.850 137 Q CB -0.073 28.628 28.738 -0.062 0.000 0.901 137 Q HN 0.409 nan 8.270 nan 0.000 0.429 138 D N 0.140 120.530 120.400 -0.017 0.000 2.149 138 D HA -0.098 4.519 4.640 -0.038 0.000 0.201 138 D C 1.924 178.129 176.300 -0.158 0.000 0.972 138 D CA 0.912 54.892 54.000 -0.034 0.000 0.835 138 D CB -0.021 40.820 40.800 0.068 0.000 0.966 138 D HN 0.356 nan 8.370 nan 0.000 0.476 139 R N 0.521 120.913 120.500 -0.180 0.000 2.093 139 R HA 0.003 4.321 4.340 -0.038 0.000 0.224 139 R C 1.879 177.929 176.300 -0.416 0.000 1.101 139 R CA 0.558 56.434 56.100 -0.372 0.000 0.979 139 R CB -0.102 30.065 30.300 -0.222 0.000 0.877 139 R HN 0.089 nan 8.270 nan 0.000 0.441 140 N N 0.956 119.493 118.700 -0.272 0.000 2.166 140 N HA -0.185 4.532 4.740 -0.038 0.000 0.186 140 N C 1.356 176.683 175.510 -0.304 0.000 1.019 140 N CA 1.021 53.907 53.050 -0.273 0.000 0.856 140 N CB -0.526 37.858 38.487 -0.172 0.000 0.993 140 N HN 0.340 nan 8.380 nan 0.000 0.426 141 N N 0.735 119.284 118.700 -0.251 0.000 2.120 141 N HA -0.099 4.619 4.740 -0.038 0.000 0.188 141 N C 1.501 176.832 175.510 -0.299 0.000 1.024 141 N CA 1.187 54.105 53.050 -0.219 0.000 0.852 141 N CB 0.057 38.456 38.487 -0.146 0.000 1.003 141 N HN 0.178 nan 8.380 nan 0.000 0.424 142 A N 1.728 124.287 122.820 -0.435 0.000 1.933 142 A HA -0.154 4.143 4.320 -0.038 0.000 0.218 142 A C 2.229 179.338 177.584 -0.792 0.000 1.175 142 A CA 1.112 52.852 52.037 -0.495 0.000 0.628 142 A CB -0.645 17.820 19.000 -0.892 0.000 0.814 142 A HN 0.413 nan 8.150 nan 0.000 0.444 143 R N -0.437 119.281 120.500 -1.303 0.000 2.081 143 R HA -0.200 4.118 4.340 -0.038 0.000 0.235 143 R C 2.399 178.322 176.300 -0.628 0.000 1.131 143 R CA 1.836 56.962 56.100 -1.622 0.000 0.960 143 R CB -0.318 29.351 30.300 -1.052 0.000 0.856 143 R HN 0.670 nan 8.270 nan 0.000 0.436 144 Q N 0.756 120.318 119.800 -0.396 0.000 2.123 144 Q HA -0.135 4.182 4.340 -0.038 0.000 0.199 144 Q C 2.074 177.993 176.000 -0.135 0.000 0.966 144 Q CA 1.458 57.135 55.803 -0.211 0.000 0.845 144 Q CB -0.087 28.550 28.738 -0.168 0.000 0.907 144 Q HN 0.520 nan 8.270 nan 0.000 0.439 145 I N 0.718 121.218 120.570 -0.117 0.000 2.335 145 I HA -0.290 3.858 4.170 -0.038 0.000 0.251 145 I C 1.909 177.973 176.117 -0.089 0.000 1.129 145 I CA 1.325 62.579 61.300 -0.076 0.000 1.402 145 I CB -0.165 37.810 38.000 -0.041 0.000 1.069 145 I HN 0.290 nan 8.210 nan 0.000 0.424 146 H N 0.195 119.191 119.070 -0.124 0.000 2.294 146 H HA -0.073 4.461 4.556 -0.038 0.000 0.306 146 H C 2.153 177.457 175.328 -0.040 0.000 1.065 146 H CA 1.301 57.333 56.048 -0.027 0.000 1.343 146 H CB -0.140 29.660 29.762 0.063 0.000 1.396 146 H HN 0.247 nan 8.280 nan 0.000 0.506 147 E N -0.180 120.035 120.200 0.025 0.000 2.118 147 E HA -0.123 4.204 4.350 -0.038 0.000 0.195 147 E C 2.291 178.881 176.600 -0.018 0.000 0.992 147 E CA 0.894 57.291 56.400 -0.006 0.000 0.804 147 E CB -0.252 29.419 29.700 -0.049 0.000 0.741 147 E HN 0.551 nan 8.360 nan 0.000 0.458 148 G N 0.372 109.149 108.800 -0.037 0.000 2.625 148 G HA2 -0.084 3.853 3.960 -0.038 0.000 0.214 148 G HA3 -0.084 3.853 3.960 -0.038 0.000 0.214 148 G C 1.073 175.954 174.900 -0.032 0.000 1.132 148 G CA 0.649 45.727 45.100 -0.037 0.000 0.782 148 G HN 0.285 nan 8.290 nan 0.000 0.538 149 A N -0.622 122.181 122.820 -0.027 0.000 2.589 149 A HA 0.572 4.869 4.320 -0.038 0.000 0.283 149 A C 1.249 178.832 177.584 -0.002 0.000 1.187 149 A CA 0.781 52.802 52.037 -0.026 0.000 0.957 149 A CB 0.141 19.111 19.000 -0.050 0.000 1.175 149 A HN 0.554 nan 8.150 nan 0.000 0.532 150 S N -0.972 114.736 115.700 0.013 0.000 3.641 150 S HA -0.150 4.297 4.470 -0.038 0.000 0.346 150 S C -0.124 174.524 174.600 0.080 0.000 1.074 150 S CA 0.982 59.202 58.200 0.034 0.000 1.026 150 S CB -1.986 61.223 63.200 0.015 0.000 0.908 150 S HN 0.572 nan 8.310 nan 0.000 0.479 151 L N 0.995 122.280 121.223 0.104 0.000 2.313 151 L HA 0.482 4.799 4.340 -0.038 0.000 0.283 151 L C -2.253 174.708 176.870 0.153 0.000 1.013 151 L CA -2.457 52.488 54.840 0.176 0.000 0.816 151 L CB 1.495 43.671 42.059 0.195 0.000 1.236 151 L HN -0.114 nan 8.230 nan 0.000 0.419 152 P HA 0.065 nan 4.420 nan 0.000 0.268 152 P C -1.236 175.877 177.300 -0.312 0.000 1.205 152 P CA 0.151 63.146 63.100 -0.176 0.000 0.771 152 P CB 0.361 31.949 31.700 -0.186 0.000 0.858 153 F N 3.623 123.149 119.950 -0.706 0.000 2.562 153 F HA 0.536 5.040 4.527 -0.038 0.000 0.319 153 F C -1.618 173.812 175.800 -0.618 0.000 1.154 153 F CA -0.791 56.886 58.000 -0.538 0.000 0.931 153 F CB 0.920 39.721 39.000 -0.332 0.000 1.198 153 F HN 0.119 nan 8.300 nan 0.000 0.444 154 F N 4.800 124.539 119.950 -0.351 0.000 2.403 154 F HA 0.298 4.802 4.527 -0.038 0.000 0.355 154 F C 0.007 175.641 175.800 -0.276 0.000 1.119 154 F CA -0.786 57.112 58.000 -0.170 0.000 1.007 154 F CB 1.495 40.436 39.000 -0.098 0.000 1.194 154 F HN 0.436 nan 8.300 nan 0.000 0.443 155 E N 3.645 123.875 120.200 0.051 0.000 2.152 155 E HA 0.389 4.716 4.350 -0.038 0.000 0.285 155 E C -1.288 175.427 176.600 0.191 0.000 1.043 155 E CA -0.344 56.141 56.400 0.141 0.000 0.839 155 E CB 1.031 30.879 29.700 0.247 0.000 1.069 155 E HN 0.404 nan 8.360 nan 0.000 0.399 156 V N 6.582 126.614 119.914 0.197 0.000 2.378 156 V HA 0.194 4.292 4.120 -0.038 0.000 0.288 156 V C -0.533 175.723 176.094 0.269 0.000 1.016 156 V CA -0.793 61.613 62.300 0.177 0.000 0.840 156 V CB 0.867 32.741 31.823 0.086 0.000 0.994 156 V HN 0.581 nan 8.190 nan 0.000 0.431 157 F N 6.625 126.627 119.950 0.088 0.000 2.375 157 F HA 0.479 4.983 4.527 -0.038 0.000 0.362 157 F C 0.090 175.912 175.800 0.037 0.000 1.129 157 F CA -1.178 56.880 58.000 0.098 0.000 1.154 157 F CB 1.113 40.180 39.000 0.110 0.000 1.205 157 F HN 0.250 nan 8.300 nan 0.000 0.513 158 V N 6.314 126.310 119.914 0.136 0.000 2.338 158 V HA 0.077 4.175 4.120 -0.038 0.000 0.255 158 V C -0.214 175.675 176.094 -0.343 0.000 1.082 158 V CA -0.372 61.858 62.300 -0.117 0.000 0.951 158 V CB 0.393 32.190 31.823 -0.044 0.000 1.102 158 V HN 0.553 nan 8.190 nan 0.000 0.489 159 D N 4.639 124.634 120.400 -0.675 0.000 2.443 159 D HA 0.619 5.237 4.640 -0.038 0.000 0.221 159 D C -0.144 175.903 176.300 -0.422 0.000 1.097 159 D CA 0.034 53.479 54.000 -0.926 0.000 0.865 159 D CB 1.385 41.359 40.800 -1.377 0.000 1.034 159 D HN 0.631 nan 8.370 nan 0.000 0.511 160 A N 4.136 126.784 122.820 -0.286 0.000 2.435 160 A HA 0.728 5.025 4.320 -0.038 0.000 0.304 160 A C -2.630 174.838 177.584 -0.193 0.000 1.064 160 A CA -1.516 50.388 52.037 -0.221 0.000 0.727 160 A CB 1.207 20.087 19.000 -0.199 0.000 1.284 160 A HN 0.399 nan 8.150 nan 0.000 0.415 161 P HA 0.077 nan 4.420 nan 0.000 0.267 161 P C 1.052 178.214 177.300 -0.230 0.000 1.201 161 P CA -0.305 62.672 63.100 -0.205 0.000 0.775 161 P CB 0.505 32.004 31.700 -0.335 0.000 0.854 162 L N 3.663 124.834 121.223 -0.087 0.000 2.046 162 L HA -0.224 4.093 4.340 -0.038 0.000 0.208 162 L C 2.387 179.178 176.870 -0.131 0.000 1.077 162 L CA 2.120 56.925 54.840 -0.058 0.000 0.747 162 L CB -1.477 40.619 42.059 0.061 0.000 0.896 162 L HN 0.578 nan 8.230 nan 0.000 0.432 163 H N -2.510 116.509 119.070 -0.086 0.000 2.352 163 H HA -0.119 4.414 4.556 -0.038 0.000 0.299 163 H C 1.884 177.125 175.328 -0.144 0.000 1.097 163 H CA 1.733 57.717 56.048 -0.107 0.000 1.311 163 H CB -1.271 28.456 29.762 -0.060 0.000 1.377 163 H HN 0.185 nan 8.280 nan 0.000 0.504 164 V N 0.497 120.066 119.914 -0.576 0.000 2.343 164 V HA -0.298 3.799 4.120 -0.038 0.000 0.247 164 V C 2.673 178.603 176.094 -0.274 0.000 1.051 164 V CA 1.704 63.776 62.300 -0.380 0.000 1.036 164 V CB -0.607 30.971 31.823 -0.409 0.000 0.654 164 V HN 0.740 nan 8.190 nan 0.000 0.451 165 C N -0.589 118.526 119.300 -0.308 0.000 2.435 165 C HA -0.091 4.346 4.460 -0.038 0.000 0.279 165 C C 2.631 177.282 174.990 -0.565 0.000 1.321 165 C CA 0.512 59.349 59.018 -0.302 0.000 1.752 165 C CB -0.874 26.747 27.740 -0.197 0.000 1.959 165 C HN 0.605 nan 8.230 nan 0.000 0.500 166 E N 0.491 120.221 120.200 -0.783 0.000 2.031 166 E HA -0.263 4.065 4.350 -0.038 0.000 0.193 166 E C 2.207 178.628 176.600 -0.298 0.000 0.994 166 E CA 1.173 57.108 56.400 -0.775 0.000 0.800 166 E CB -0.217 29.204 29.700 -0.464 0.000 0.752 166 E HN 0.590 nan 8.360 nan 0.000 0.447 167 Q N 0.640 120.324 119.800 -0.192 0.000 2.062 167 Q HA -0.235 4.082 4.340 -0.038 0.000 0.209 167 Q C 2.108 178.057 176.000 -0.085 0.000 0.996 167 Q CA 2.064 57.809 55.803 -0.097 0.000 0.859 167 Q CB 0.018 28.714 28.738 -0.070 0.000 0.920 167 Q HN 0.111 nan 8.270 nan 0.000 0.415 168 R N 0.275 120.713 120.500 -0.103 0.000 2.096 168 R HA -0.110 4.207 4.340 -0.038 0.000 0.235 168 R C 0.523 176.814 176.300 -0.015 0.000 1.127 168 R CA 0.824 56.891 56.100 -0.055 0.000 0.968 168 R CB -0.309 29.959 30.300 -0.054 0.000 0.861 168 R HN 0.258 nan 8.270 nan 0.000 0.440 169 D N 0.601 121.003 120.400 0.003 0.000 2.859 169 D HA -0.146 4.472 4.640 -0.038 0.000 0.214 169 D C 0.638 176.988 176.300 0.084 0.000 1.250 169 D CA 0.262 54.331 54.000 0.115 0.000 0.635 169 D CB -0.403 40.453 40.800 0.092 0.000 0.961 169 D HN -0.028 nan 8.370 nan 0.000 0.395 170 V N 0.795 120.757 119.914 0.079 0.000 2.439 170 V HA -0.247 3.851 4.120 -0.038 0.000 0.253 170 V C 2.186 178.300 176.094 0.034 0.000 1.074 170 V CA 2.232 64.557 62.300 0.043 0.000 1.076 170 V CB -0.225 31.619 31.823 0.036 0.000 0.664 170 V HN 0.434 nan 8.190 nan 0.000 0.461 171 K N -1.358 119.071 120.400 0.047 0.000 2.469 171 K HA 0.373 4.670 4.320 -0.038 0.000 0.204 171 K C 1.206 177.805 176.600 -0.002 0.000 1.047 171 K CA 0.550 56.847 56.287 0.017 0.000 1.072 171 K CB 1.181 33.691 32.500 0.016 0.000 0.863 171 K HN 0.445 nan 8.250 nan 0.000 0.530 172 G N 1.581 110.389 108.800 0.013 0.000 2.155 172 G HA2 -0.260 3.677 3.960 -0.038 0.000 0.257 172 G HA3 -0.260 3.677 3.960 -0.038 0.000 0.257 172 G C 0.689 175.543 174.900 -0.076 0.000 0.983 172 G CA 0.052 45.145 45.100 -0.012 0.000 0.676 172 G HN 0.144 nan 8.290 nan 0.000 0.528 173 L N -1.010 120.135 121.223 -0.130 0.000 2.141 173 L HA 0.145 4.462 4.340 -0.038 0.000 0.209 173 L C 2.535 179.021 176.870 -0.640 0.000 1.094 173 L CA 1.659 56.250 54.840 -0.415 0.000 0.763 173 L CB -1.243 40.533 42.059 -0.472 0.000 0.908 173 L HN 0.437 nan 8.230 nan 0.000 0.437 174 Y N 0.595 120.717 120.300 -0.296 0.000 2.242 174 Y HA -0.270 4.258 4.550 -0.038 0.000 0.291 174 Y C 2.451 178.252 175.900 -0.165 0.000 1.137 174 Y CA 1.683 59.661 58.100 -0.203 0.000 1.181 174 Y CB -0.321 38.132 38.460 -0.012 0.000 0.989 174 Y HN 0.290 nan 8.280 nan 0.000 0.527 175 K N 0.266 120.668 120.400 0.002 0.000 2.296 175 K HA -0.069 4.228 4.320 -0.038 0.000 0.200 175 K C 1.644 178.206 176.600 -0.063 0.000 1.048 175 K CA 1.397 57.676 56.287 -0.012 0.000 0.966 175 K CB -0.069 32.428 32.500 -0.004 0.000 0.754 175 K HN 0.037 nan 8.250 nan 0.000 0.466 176 K N -0.222 120.099 120.400 -0.131 0.000 2.361 176 K HA 0.183 4.480 4.320 -0.038 0.000 0.196 176 K C 1.757 178.238 176.600 -0.198 0.000 1.039 176 K CA 0.674 56.865 56.287 -0.160 0.000 1.001 176 K CB 0.264 32.645 32.500 -0.198 0.000 0.795 176 K HN 0.319 nan 8.250 nan 0.000 0.495 177 A N 0.478 123.144 122.820 -0.256 0.000 1.997 177 A HA 0.036 4.333 4.320 -0.038 0.000 0.212 177 A C 1.658 179.198 177.584 -0.072 0.000 1.178 177 A CA 0.453 52.362 52.037 -0.214 0.000 0.698 177 A CB 0.085 18.882 19.000 -0.338 0.000 0.842 177 A HN 0.011 nan 8.150 nan 0.000 0.458 178 R N -0.083 120.394 120.500 -0.037 0.000 2.280 178 R HA 0.129 4.446 4.340 -0.038 0.000 0.207 178 R C 0.933 177.231 176.300 -0.004 0.000 1.043 178 R CA 0.927 57.033 56.100 0.009 0.000 1.006 178 R CB -0.646 29.673 30.300 0.031 0.000 0.885 178 R HN 0.458 nan 8.270 nan 0.000 0.467 179 A N -0.333 122.472 122.820 -0.026 0.000 2.594 179 A HA 0.412 4.709 4.320 -0.038 0.000 0.292 179 A C 0.364 177.929 177.584 -0.031 0.000 1.026 179 A CA 0.075 52.098 52.037 -0.023 0.000 0.983 179 A CB 0.162 19.146 19.000 -0.027 0.000 1.233 179 A HN 0.184 nan 8.150 nan 0.000 0.519 180 G N 0.152 108.931 108.800 -0.033 0.000 2.793 180 G HA2 -0.106 3.831 3.960 -0.038 0.000 0.335 180 G HA3 -0.106 3.831 3.960 -0.038 0.000 0.335 180 G C 0.032 174.896 174.900 -0.058 0.000 0.098 180 G CA 0.733 45.808 45.100 -0.042 0.000 1.221 180 G HN 0.699 nan 8.290 nan 0.000 0.582 181 E N 0.687 120.837 120.200 -0.084 0.000 3.601 181 E HA 0.113 4.440 4.350 -0.038 0.000 0.142 181 E C 0.363 176.893 176.600 -0.116 0.000 0.966 181 E CA -0.308 56.046 56.400 -0.077 0.000 1.527 181 E CB -0.031 29.633 29.700 -0.060 0.000 1.089 181 E HN 0.826 nan 8.360 nan 0.000 0.383 182 I N -1.010 119.477 120.570 -0.137 0.000 2.411 182 I HA 0.503 4.650 4.170 -0.038 0.000 0.284 182 I C 0.591 176.673 176.117 -0.059 0.000 1.012 182 I CA -1.025 60.185 61.300 -0.150 0.000 1.119 182 I CB 1.417 39.274 38.000 -0.239 0.000 1.261 182 I HN -0.083 nan 8.210 nan 0.000 0.448 183 K N 4.347 124.714 120.400 -0.055 0.000 2.470 183 K HA -0.245 4.053 4.320 -0.038 0.000 0.104 183 K C 0.958 177.595 176.600 0.061 0.000 1.194 183 K CA 2.384 58.672 56.287 0.002 0.000 0.725 183 K CB -0.383 32.104 32.500 -0.023 0.000 0.445 183 K HN 1.075 nan 8.250 nan 0.000 1.067 184 G N 0.439 109.292 108.800 0.088 0.000 3.860 184 G HA2 0.241 4.179 3.960 -0.038 0.000 0.269 184 G HA3 0.241 4.179 3.960 -0.038 0.000 0.269 184 G C -0.580 174.394 174.900 0.122 0.000 1.112 184 G CA -0.504 44.661 45.100 0.109 0.000 1.674 184 G HN 0.398 nan 8.290 nan 0.000 0.628 185 F N 2.923 122.849 119.950 -0.040 0.000 2.549 185 F HA 0.069 4.574 4.527 -0.038 0.000 0.400 185 F C 1.568 177.349 175.800 -0.032 0.000 1.011 185 F CA 0.180 58.132 58.000 -0.079 0.000 1.148 185 F CB 0.698 39.609 39.000 -0.149 0.000 0.993 185 F HN 0.242 nan 8.300 nan 0.000 0.540 186 T N 4.096 118.385 114.554 -0.442 0.000 2.946 186 T HA 0.364 4.692 4.350 -0.038 0.000 0.311 186 T C 1.158 175.761 174.700 -0.162 0.000 1.063 186 T CA 0.476 62.432 62.100 -0.238 0.000 1.139 186 T CB 0.747 69.495 68.868 -0.201 0.000 0.994 186 T HN 1.353 nan 8.240 nan 0.000 0.547 187 G N 3.302 112.127 108.800 0.041 0.000 2.299 187 G HA2 -0.234 3.703 3.960 -0.038 0.000 0.237 187 G HA3 -0.234 3.703 3.960 -0.038 0.000 0.237 187 G C 0.700 175.709 174.900 0.182 0.000 1.027 187 G CA 0.445 45.628 45.100 0.139 0.000 0.619 187 G HN 0.738 nan 8.290 nan 0.000 0.513 188 I N -0.347 120.337 120.570 0.189 0.000 3.523 188 I HA 0.293 4.441 4.170 -0.038 0.000 0.244 188 I C 1.545 177.747 176.117 0.142 0.000 1.110 188 I CA 0.784 62.202 61.300 0.196 0.000 1.517 188 I CB 0.150 38.307 38.000 0.261 0.000 1.505 188 I HN -0.034 nan 8.210 nan 0.000 0.460 189 D N -0.096 120.387 120.400 0.138 0.000 2.449 189 D HA 0.215 4.832 4.640 -0.038 0.000 0.210 189 D C 0.375 176.739 176.300 0.107 0.000 1.094 189 D CA 0.399 54.464 54.000 0.109 0.000 0.846 189 D CB 0.805 41.663 40.800 0.097 0.000 1.003 189 D HN 0.090 nan 8.370 nan 0.000 0.504 190 S N 0.132 115.897 115.700 0.108 0.000 2.739 190 S HA 0.413 4.860 4.470 -0.038 0.000 0.306 190 S C 0.069 174.742 174.600 0.122 0.000 1.115 190 S CA -0.794 57.480 58.200 0.122 0.000 0.985 190 S CB 2.202 65.468 63.200 0.109 0.000 1.133 190 S HN -0.051 nan 8.310 nan 0.000 0.541 191 E N 0.134 120.433 120.200 0.165 0.000 2.222 191 E HA 0.337 4.665 4.350 -0.038 0.000 0.272 191 E C -1.632 175.033 176.600 0.107 0.000 0.982 191 E CA -0.519 55.975 56.400 0.156 0.000 0.842 191 E CB 1.432 31.238 29.700 0.176 0.000 1.144 191 E HN 0.578 nan 8.360 nan 0.000 0.397 192 Y N 1.255 121.562 120.300 0.011 0.000 2.335 192 Y HA 0.191 4.718 4.550 -0.038 0.000 0.338 192 Y C -0.750 175.152 175.900 0.003 0.000 0.977 192 Y CA -0.606 57.472 58.100 -0.037 0.000 1.114 192 Y CB 1.147 39.596 38.460 -0.019 0.000 1.182 192 Y HN 0.402 nan 8.280 nan 0.000 0.463 193 E N 6.148 125.988 120.200 -0.601 0.000 2.109 193 E HA 0.232 4.560 4.350 -0.038 0.000 0.278 193 E C -0.970 175.307 176.600 -0.538 0.000 0.954 193 E CA -0.874 55.320 56.400 -0.343 0.000 0.779 193 E CB 1.309 30.903 29.700 -0.177 0.000 1.093 193 E HN 0.545 nan 8.360 nan 0.000 0.401 194 K N 3.471 123.720 120.400 -0.252 0.000 2.382 194 K HA 0.157 4.454 4.320 -0.038 0.000 0.275 194 K C -2.243 174.152 176.600 -0.342 0.000 1.009 194 K CA -1.551 54.544 56.287 -0.320 0.000 0.970 194 K CB 0.030 32.476 32.500 -0.089 0.000 0.934 194 K HN 0.223 nan 8.250 nan 0.000 0.479 195 P HA -0.014 nan 4.420 nan 0.000 0.268 195 P C -0.335 176.904 177.300 -0.102 0.000 1.204 195 P CA 0.189 63.157 63.100 -0.220 0.000 0.768 195 P CB 0.688 32.288 31.700 -0.166 0.000 0.842 196 E N 1.790 121.960 120.200 -0.050 0.000 2.170 196 E HA 0.075 4.402 4.350 -0.038 0.000 0.191 196 E C 0.562 177.176 176.600 0.023 0.000 0.981 196 E CA 0.636 57.031 56.400 -0.008 0.000 0.830 196 E CB 0.160 29.852 29.700 -0.014 0.000 0.775 196 E HN 0.459 nan 8.360 nan 0.000 0.470 197 A N 2.111 124.947 122.820 0.027 0.000 3.308 197 A HA 0.255 4.552 4.320 -0.038 0.000 0.275 197 A C -2.536 175.095 177.584 0.078 0.000 0.950 197 A CA -1.101 50.966 52.037 0.050 0.000 0.987 197 A CB 0.009 19.031 19.000 0.036 0.000 1.146 197 A HN -0.034 nan 8.150 nan 0.000 0.488 198 P HA 0.170 nan 4.420 nan 0.000 0.268 198 P C 0.190 177.574 177.300 0.140 0.000 1.205 198 P CA 0.236 63.422 63.100 0.143 0.000 0.771 198 P CB 1.152 32.971 31.700 0.199 0.000 0.858 199 E N 0.541 120.837 120.200 0.160 0.000 2.268 199 E HA 0.018 4.346 4.350 -0.038 0.000 0.195 199 E C 0.317 176.983 176.600 0.110 0.000 0.995 199 E CA 0.953 57.447 56.400 0.156 0.000 0.836 199 E CB -0.158 29.688 29.700 0.244 0.000 0.763 199 E HN 0.266 nan 8.360 nan 0.000 0.491 200 L N -1.071 120.221 121.223 0.116 0.000 2.545 200 L HA 0.342 4.660 4.340 -0.038 0.000 0.258 200 L C -1.756 175.179 176.870 0.108 0.000 0.942 200 L CA -0.795 54.091 54.840 0.076 0.000 0.855 200 L CB 2.088 44.161 42.059 0.023 0.000 1.374 200 L HN -0.314 nan 8.230 nan 0.000 0.411 201 V N 5.356 125.312 119.914 0.070 0.000 2.384 201 V HA 0.497 4.594 4.120 -0.038 0.000 0.287 201 V C -0.303 175.753 176.094 -0.064 0.000 1.020 201 V CA -0.469 61.851 62.300 0.034 0.000 0.850 201 V CB 1.484 33.331 31.823 0.040 0.000 0.987 201 V HN 0.570 nan 8.190 nan 0.000 0.436 202 L N 5.687 126.835 121.223 -0.125 0.000 2.262 202 L HA 0.509 4.827 4.340 -0.038 0.000 0.288 202 L C 0.389 177.137 176.870 -0.204 0.000 1.035 202 L CA -0.552 54.204 54.840 -0.139 0.000 0.820 202 L CB 1.074 43.065 42.059 -0.113 0.000 1.204 202 L HN 0.440 nan 8.230 nan 0.000 0.424 203 K N 2.566 122.868 120.400 -0.163 0.000 2.180 203 K HA 0.115 4.412 4.320 -0.038 0.000 0.250 203 K C 1.212 177.727 176.600 -0.141 0.000 1.135 203 K CA -0.090 56.094 56.287 -0.170 0.000 1.037 203 K CB 0.685 33.112 32.500 -0.122 0.000 1.624 203 K HN 0.645 nan 8.250 nan 0.000 0.382 204 T N -2.657 111.802 114.554 -0.158 0.000 3.155 204 T HA -0.102 4.225 4.350 -0.038 0.000 0.264 204 T C 1.071 175.704 174.700 -0.111 0.000 1.160 204 T CA 0.799 62.824 62.100 -0.125 0.000 1.075 204 T CB 0.027 68.819 68.868 -0.126 0.000 0.921 204 T HN 0.219 nan 8.240 nan 0.000 0.533 205 D N 0.227 120.556 120.400 -0.117 0.000 2.349 205 D HA 0.171 4.788 4.640 -0.038 0.000 0.214 205 D C 1.065 177.320 176.300 -0.075 0.000 1.063 205 D CA -0.073 53.866 54.000 -0.101 0.000 0.847 205 D CB 0.142 40.869 40.800 -0.121 0.000 0.933 205 D HN 0.353 nan 8.370 nan 0.000 0.513 206 S N -0.697 114.959 115.700 -0.073 0.000 2.900 206 S HA 0.248 4.696 4.470 -0.038 0.000 0.253 206 S C -0.255 174.312 174.600 -0.054 0.000 1.029 206 S CA -0.467 57.700 58.200 -0.056 0.000 1.096 206 S CB 0.214 63.382 63.200 -0.053 0.000 1.067 206 S HN 0.494 nan 8.310 nan 0.000 0.610 207 C N 0.796 120.060 119.300 -0.060 0.000 3.311 207 C HA 0.837 5.274 4.460 -0.038 0.000 0.325 207 C C -1.379 173.578 174.990 -0.055 0.000 1.352 207 C CA -1.053 57.932 59.018 -0.055 0.000 1.308 207 C CB 1.033 28.735 27.740 -0.062 0.000 1.619 207 C HN 0.364 nan 8.230 nan 0.000 0.469 208 D N 0.779 121.150 120.400 -0.048 0.000 2.549 208 D HA 0.454 5.071 4.640 -0.038 0.000 0.270 208 D C 1.077 177.348 176.300 -0.049 0.000 1.181 208 D CA -0.619 53.354 54.000 -0.045 0.000 1.070 208 D CB 0.484 41.264 40.800 -0.034 0.000 1.154 208 D HN 0.349 nan 8.370 nan 0.000 0.602 209 V N 0.481 120.369 119.914 -0.044 0.000 2.343 209 V HA -0.243 3.855 4.120 -0.038 0.000 0.247 209 V C 2.006 178.074 176.094 -0.045 0.000 1.051 209 V CA 2.151 64.423 62.300 -0.046 0.000 1.036 209 V CB -1.221 30.579 31.823 -0.038 0.000 0.654 209 V HN 0.514 nan 8.190 nan 0.000 0.451 210 N N 0.015 118.695 118.700 -0.034 0.000 2.166 210 N HA -0.189 4.528 4.740 -0.038 0.000 0.186 210 N C 1.502 176.982 175.510 -0.050 0.000 1.019 210 N CA 1.368 54.399 53.050 -0.031 0.000 0.856 210 N CB -0.167 38.310 38.487 -0.016 0.000 0.993 210 N HN 0.484 nan 8.380 nan 0.000 0.426 211 D N 0.610 120.980 120.400 -0.051 0.000 2.104 211 D HA -0.126 4.492 4.640 -0.038 0.000 0.194 211 D C 2.056 178.310 176.300 -0.076 0.000 0.994 211 D CA 0.833 54.797 54.000 -0.059 0.000 0.830 211 D CB -0.658 40.110 40.800 -0.054 0.000 0.959 211 D HN 0.310 nan 8.370 nan 0.000 0.452 212 C N 0.372 119.625 119.300 -0.078 0.000 2.413 212 C HA -0.110 4.327 4.460 -0.038 0.000 0.277 212 C C 2.994 177.918 174.990 -0.110 0.000 1.228 212 C CA 0.394 59.358 59.018 -0.090 0.000 1.731 212 C CB -0.898 26.792 27.740 -0.084 0.000 2.042 212 C HN 0.177 nan 8.230 nan 0.000 0.468 213 V N 0.370 120.217 119.914 -0.112 0.000 2.427 213 V HA -0.242 3.855 4.120 -0.038 0.000 0.248 213 V C 2.434 178.392 176.094 -0.226 0.000 1.051 213 V CA 2.108 64.313 62.300 -0.159 0.000 1.048 213 V CB -0.860 30.890 31.823 -0.122 0.000 0.666 213 V HN 0.643 nan 8.190 nan 0.000 0.456 214 Q N -0.394 119.303 119.800 -0.173 0.000 2.119 214 Q HA -0.232 4.085 4.340 -0.038 0.000 0.201 214 Q C 2.311 178.206 176.000 -0.174 0.000 0.972 214 Q CA 1.609 57.302 55.803 -0.183 0.000 0.847 214 Q CB -0.047 28.624 28.738 -0.112 0.000 0.903 214 Q HN 0.676 nan 8.270 nan 0.000 0.433 215 Q N -0.557 119.159 119.800 -0.139 0.000 2.079 215 Q HA -0.127 4.191 4.340 -0.038 0.000 0.200 215 Q C 2.171 178.079 176.000 -0.153 0.000 0.974 215 Q CA 1.620 57.349 55.803 -0.123 0.000 0.840 215 Q CB 0.175 28.856 28.738 -0.095 0.000 0.898 215 Q HN 0.278 nan 8.270 nan 0.000 0.430 216 V N 0.060 119.869 119.914 -0.176 0.000 2.307 216 V HA -0.207 3.890 4.120 -0.038 0.000 0.245 216 V C 2.250 178.183 176.094 -0.268 0.000 1.045 216 V CA 1.304 63.483 62.300 -0.203 0.000 1.024 216 V CB -0.454 31.259 31.823 -0.184 0.000 0.651 216 V HN 0.164 nan 8.190 nan 0.000 0.449 217 V N 0.156 119.870 119.914 -0.334 0.000 2.332 217 V HA -0.292 3.805 4.120 -0.038 0.000 0.248 217 V C 2.429 178.353 176.094 -0.284 0.000 1.055 217 V CA 2.194 64.251 62.300 -0.406 0.000 1.038 217 V CB -0.730 30.670 31.823 -0.704 0.000 0.651 217 V HN 0.631 nan 8.190 nan 0.000 0.450 218 E N -0.220 119.843 120.200 -0.228 0.000 2.153 218 E HA -0.237 4.090 4.350 -0.038 0.000 0.194 218 E C 2.110 178.611 176.600 -0.165 0.000 0.988 218 E CA 1.245 57.547 56.400 -0.163 0.000 0.811 218 E CB -0.234 29.393 29.700 -0.122 0.000 0.746 218 E HN 0.467 nan 8.360 nan 0.000 0.466 219 L N 0.960 122.063 121.223 -0.199 0.000 2.017 219 L HA -0.179 4.138 4.340 -0.038 0.000 0.208 219 L C 2.021 178.700 176.870 -0.318 0.000 1.073 219 L CA 1.657 56.355 54.840 -0.237 0.000 0.745 219 L CB -0.285 41.608 42.059 -0.277 0.000 0.894 219 L HN 0.106 nan 8.230 nan 0.000 0.432 220 L N -1.078 119.929 121.223 -0.360 0.000 2.201 220 L HA -0.181 4.137 4.340 -0.038 0.000 0.212 220 L C 2.589 179.347 176.870 -0.188 0.000 1.105 220 L CA 1.005 55.630 54.840 -0.359 0.000 0.775 220 L CB -0.502 41.381 42.059 -0.294 0.000 0.913 220 L HN 0.441 nan 8.230 nan 0.000 0.440 221 Q N 0.017 119.725 119.800 -0.154 0.000 2.020 221 Q HA -0.206 4.112 4.340 -0.038 0.000 0.198 221 Q C 2.056 178.017 176.000 -0.065 0.000 0.974 221 Q CA 1.401 57.150 55.803 -0.090 0.000 0.829 221 Q CB -0.084 28.603 28.738 -0.085 0.000 0.894 221 Q HN 0.482 nan 8.270 nan 0.000 0.433 222 E N 0.380 120.534 120.200 -0.076 0.000 2.114 222 E HA -0.192 4.135 4.350 -0.038 0.000 0.199 222 E C 1.517 178.107 176.600 -0.016 0.000 1.008 222 E CA 0.924 57.298 56.400 -0.043 0.000 0.810 222 E CB 0.063 29.735 29.700 -0.047 0.000 0.739 222 E HN 0.094 nan 8.360 nan 0.000 0.456 223 R N 0.820 121.299 120.500 -0.034 0.000 2.356 223 R HA 0.017 4.334 4.340 -0.038 0.000 0.234 223 R C -0.449 175.896 176.300 0.075 0.000 0.929 223 R CA 0.202 56.332 56.100 0.050 0.000 1.084 223 R CB -0.195 30.161 30.300 0.093 0.000 1.105 223 R HN 0.162 nan 8.270 nan 0.000 0.515 224 D N -0.099 120.319 120.400 0.031 0.000 2.981 224 D HA -0.188 4.430 4.640 -0.038 0.000 0.223 224 D C 0.822 177.154 176.300 0.053 0.000 1.151 224 D CA 0.626 54.652 54.000 0.044 0.000 0.827 224 D CB -0.835 40.003 40.800 0.063 0.000 1.101 224 D HN 0.221 nan 8.370 nan 0.000 0.426 225 I N -0.495 120.094 120.570 0.032 0.000 2.628 225 I HA 0.003 4.151 4.170 -0.038 0.000 0.255 225 I C 1.260 177.382 176.117 0.008 0.000 1.119 225 I CA 0.814 62.135 61.300 0.035 0.000 1.448 225 I CB 0.069 38.100 38.000 0.052 0.000 1.133 225 I HN -0.139 nan 8.210 nan 0.000 0.438 226 V N 3.633 123.538 119.914 -0.014 0.000 2.398 226 V HA 0.318 4.415 4.120 -0.038 0.000 0.286 226 V C -2.270 173.822 176.094 -0.002 0.000 1.026 226 V CA -1.491 60.807 62.300 -0.002 0.000 0.868 226 V CB 1.550 33.361 31.823 -0.019 0.000 0.982 226 V HN 0.060 nan 8.190 nan 0.000 0.443 227 P HA 0.211 nan 4.420 nan 0.000 0.274 227 P C -0.685 176.617 177.300 0.003 0.000 1.231 227 P CA -0.309 62.796 63.100 0.009 0.000 0.790 227 P CB 0.629 32.339 31.700 0.016 0.000 0.951 228 V N 3.110 123.023 119.914 -0.003 0.000 2.356 228 V HA 0.086 4.183 4.120 -0.038 0.000 0.258 228 V C 0.295 176.387 176.094 -0.004 0.000 1.065 228 V CA -0.208 62.088 62.300 -0.006 0.000 0.935 228 V CB -0.364 31.452 31.823 -0.013 0.000 1.061 228 V HN 0.492 nan 8.190 nan 0.000 0.484 229 D N 3.395 123.798 120.400 0.004 0.000 2.382 229 D HA 0.348 4.966 4.640 -0.038 0.000 0.240 229 D C 0.607 176.888 176.300 -0.031 0.000 1.146 229 D CA 0.129 54.127 54.000 -0.004 0.000 0.897 229 D CB 1.170 41.981 40.800 0.019 0.000 1.197 229 D HN 0.680 nan 8.370 nan 0.000 0.432 230 A N 1.227 124.013 122.820 -0.057 0.000 2.498 230 A HA 0.364 4.662 4.320 -0.038 0.000 0.239 230 A C 0.462 177.958 177.584 -0.148 0.000 1.068 230 A CA 0.194 52.171 52.037 -0.101 0.000 0.766 230 A CB 0.277 19.205 19.000 -0.121 0.000 1.003 230 A HN 0.346 nan 8.150 nan 0.000 0.497 231 S N 0.362 115.959 115.700 -0.173 0.000 2.595 231 S HA 0.594 5.041 4.470 -0.038 0.000 0.281 231 S C -0.417 174.046 174.600 -0.229 0.000 1.117 231 S CA -0.491 57.613 58.200 -0.160 0.000 0.873 231 S CB 0.759 63.931 63.200 -0.046 0.000 1.108 231 S HN 0.529 nan 8.310 nan 0.000 0.477 232 Y N 0.843 121.151 120.300 0.014 0.000 2.468 232 Y HA 0.329 4.856 4.550 -0.038 0.000 0.268 232 Y C 1.134 177.037 175.900 0.005 0.000 1.177 232 Y CA -0.198 57.910 58.100 0.014 0.000 1.265 232 Y CB 0.359 38.826 38.460 0.012 0.000 1.103 232 Y HN 0.638 nan 8.280 nan 0.000 0.522 233 E N 1.600 121.868 120.200 0.114 0.000 2.417 233 E HA 0.063 4.390 4.350 -0.038 0.000 0.261 233 E C -0.183 176.445 176.600 0.046 0.000 1.000 233 E CA -0.277 56.164 56.400 0.069 0.000 0.919 233 E CB 0.731 30.456 29.700 0.040 0.000 0.955 233 E HN -0.050 nan 8.360 nan 0.000 0.455 234 V N 5.408 125.336 119.914 0.024 0.000 2.752 234 V HA -0.137 3.961 4.120 -0.038 0.000 0.306 234 V C 0.673 176.761 176.094 -0.010 0.000 1.099 234 V CA 1.053 63.347 62.300 -0.010 0.000 1.240 234 V CB 0.235 32.023 31.823 -0.060 0.000 0.887 234 V HN 0.623 nan 8.190 nan 0.000 0.499 235 K N 4.515 124.906 120.400 -0.015 0.000 2.621 235 K HA 0.315 4.612 4.320 -0.038 0.000 0.233 235 K C -0.275 176.307 176.600 -0.030 0.000 0.972 235 K CA -0.431 55.847 56.287 -0.014 0.000 0.988 235 K CB 0.869 33.365 32.500 -0.006 0.000 1.187 235 K HN 0.805 nan 8.250 nan 0.000 0.471 236 E N 3.657 123.842 120.200 -0.026 0.000 2.354 236 E HA 0.076 4.403 4.350 -0.038 0.000 0.269 236 E C 0.612 177.186 176.600 -0.043 0.000 1.036 236 E CA -0.119 56.261 56.400 -0.034 0.000 0.876 236 E CB 1.132 30.861 29.700 0.048 0.000 1.009 236 E HN 0.528 nan 8.360 nan 0.000 0.416 237 L N 2.298 123.450 121.223 -0.119 0.000 2.607 237 L HA 0.154 4.472 4.340 -0.038 0.000 0.228 237 L C 0.198 177.009 176.870 -0.098 0.000 1.123 237 L CA -0.215 54.556 54.840 -0.117 0.000 0.890 237 L CB -0.139 41.825 42.059 -0.159 0.000 1.103 237 L HN 0.529 nan 8.230 nan 0.000 0.468 238 Y N 0.671 120.959 120.300 -0.021 0.000 2.620 238 Y HA -0.021 4.506 4.550 -0.038 0.000 0.330 238 Y C 0.805 176.698 175.900 -0.011 0.000 1.186 238 Y CA -0.310 57.779 58.100 -0.017 0.000 1.467 238 Y CB 0.760 39.207 38.460 -0.021 0.000 1.262 238 Y HN -0.182 nan 8.280 nan 0.000 0.550 239 V N 7.373 127.393 119.914 0.177 0.000 2.673 239 V HA 0.063 4.160 4.120 -0.038 0.000 0.303 239 V C -2.075 174.067 176.094 0.081 0.000 1.046 239 V CA -1.803 60.555 62.300 0.097 0.000 1.126 239 V CB 0.472 32.339 31.823 0.073 0.000 0.934 239 V HN 0.579 nan 8.190 nan 0.000 0.487 240 P HA -0.004 nan 4.420 nan 0.000 0.261 240 P C 0.498 177.810 177.300 0.019 0.000 1.165 240 P CA 0.299 63.417 63.100 0.030 0.000 0.759 240 P CB 0.400 32.115 31.700 0.025 0.000 0.772 241 E N 3.686 123.886 120.200 -0.001 0.000 2.136 241 E HA -0.317 4.010 4.350 -0.038 0.000 0.202 241 E C 1.135 177.745 176.600 0.017 0.000 1.019 241 E CA 2.216 58.614 56.400 -0.004 0.000 0.819 241 E CB -1.531 28.158 29.700 -0.017 0.000 0.739 241 E HN 0.561 nan 8.360 nan 0.000 0.458 242 N N 0.499 119.210 118.700 0.019 0.000 2.457 242 N HA -0.093 4.624 4.740 -0.038 0.000 0.180 242 N C 0.993 176.524 175.510 0.035 0.000 1.050 242 N CA 0.771 53.837 53.050 0.027 0.000 0.906 242 N CB 0.075 38.573 38.487 0.019 0.000 0.968 242 N HN 0.018 nan 8.380 nan 0.000 0.445 243 K N -0.054 120.366 120.400 0.034 0.000 2.367 243 K HA 0.168 4.465 4.320 -0.038 0.000 0.194 243 K C 1.502 178.134 176.600 0.054 0.000 1.027 243 K CA -0.259 56.050 56.287 0.037 0.000 1.075 243 K CB -0.168 32.349 32.500 0.029 0.000 0.845 243 K HN 0.152 nan 8.250 nan 0.000 0.529 244 L N 1.094 122.355 121.223 0.062 0.000 1.990 244 L HA -0.231 4.086 4.340 -0.038 0.000 0.213 244 L C 2.388 179.333 176.870 0.126 0.000 1.072 244 L CA 2.025 56.910 54.840 0.075 0.000 0.755 244 L CB -0.544 41.546 42.059 0.051 0.000 0.889 244 L HN 0.397 nan 8.230 nan 0.000 0.432 245 H N -1.866 117.211 119.070 0.011 0.000 2.357 245 H HA -0.134 4.399 4.556 -0.038 0.000 0.301 245 H C 2.135 177.471 175.328 0.014 0.000 1.082 245 H CA 0.978 57.033 56.048 0.012 0.000 1.342 245 H CB 0.247 30.014 29.762 0.008 0.000 1.389 245 H HN 0.276 nan 8.280 nan 0.000 0.511 246 L N 1.164 122.408 121.223 0.035 0.000 2.012 246 L HA -0.155 4.162 4.340 -0.038 0.000 0.210 246 L C 2.815 179.696 176.870 0.018 0.000 1.073 246 L CA 1.913 56.736 54.840 -0.028 0.000 0.748 246 L CB -1.625 40.423 42.059 -0.019 0.000 0.891 246 L HN 0.428 nan 8.230 nan 0.000 0.431 247 A N -0.767 122.081 122.820 0.045 0.000 1.902 247 A HA -0.229 4.068 4.320 -0.038 0.000 0.217 247 A C 2.287 179.905 177.584 0.057 0.000 1.181 247 A CA 1.638 53.703 52.037 0.046 0.000 0.623 247 A CB -0.364 18.666 19.000 0.050 0.000 0.818 247 A HN 0.425 nan 8.150 nan 0.000 0.443 248 K N -0.781 119.668 120.400 0.082 0.000 2.020 248 K HA -0.143 4.155 4.320 -0.038 0.000 0.212 248 K C 2.160 178.810 176.600 0.083 0.000 1.050 248 K CA 1.927 58.270 56.287 0.093 0.000 0.929 248 K CB -0.649 31.927 32.500 0.127 0.000 0.714 248 K HN 0.478 nan 8.250 nan 0.000 0.443 249 T N 1.221 115.822 114.554 0.078 0.000 2.622 249 T HA -0.219 4.108 4.350 -0.038 0.000 0.266 249 T C 1.600 176.320 174.700 0.032 0.000 1.047 249 T CA 1.997 64.122 62.100 0.041 0.000 1.159 249 T CB -0.562 68.300 68.868 -0.011 0.000 0.863 249 T HN 0.341 nan 8.240 nan 0.000 0.422 250 D N 1.275 121.690 120.400 0.024 0.000 2.149 250 D HA -0.138 4.479 4.640 -0.038 0.000 0.194 250 D C 2.127 178.450 176.300 0.038 0.000 1.001 250 D CA 1.472 55.488 54.000 0.026 0.000 0.849 250 D CB -0.416 40.397 40.800 0.021 0.000 0.939 250 D HN 0.387 nan 8.370 nan 0.000 0.449 251 A N -0.253 122.595 122.820 0.046 0.000 2.019 251 A HA -0.138 4.159 4.320 -0.038 0.000 0.219 251 A C 2.130 179.749 177.584 0.059 0.000 1.164 251 A CA 1.727 53.797 52.037 0.054 0.000 0.644 251 A CB -0.614 18.422 19.000 0.059 0.000 0.805 251 A HN 0.251 nan 8.150 nan 0.000 0.449 252 E N -0.098 120.134 120.200 0.054 0.000 2.106 252 E HA -0.129 4.199 4.350 -0.038 0.000 0.192 252 E C 2.122 178.751 176.600 0.047 0.000 0.984 252 E CA 1.774 58.205 56.400 0.051 0.000 0.806 252 E CB -0.438 29.290 29.700 0.046 0.000 0.750 252 E HN 0.678 nan 8.360 nan 0.000 0.458 253 T N -1.651 112.929 114.554 0.043 0.000 3.098 253 T HA 0.009 4.336 4.350 -0.038 0.000 0.266 253 T C 0.751 175.481 174.700 0.051 0.000 1.145 253 T CA 0.140 62.264 62.100 0.040 0.000 1.092 253 T CB -0.318 68.569 68.868 0.033 0.000 0.908 253 T HN -0.025 nan 8.240 nan 0.000 0.526 254 L N 1.518 122.780 121.223 0.066 0.000 2.375 254 L HA 0.518 4.835 4.340 -0.038 0.000 0.268 254 L C -1.983 174.947 176.870 0.100 0.000 1.058 254 L CA -2.891 52.003 54.840 0.090 0.000 0.803 254 L CB 0.546 42.673 42.059 0.112 0.000 1.212 254 L HN -0.053 nan 8.230 nan 0.000 0.451 255 P HA 0.251 nan 4.420 nan 0.000 0.271 255 P C -1.187 176.204 177.300 0.150 0.000 1.244 255 P CA -0.363 62.793 63.100 0.092 0.000 0.793 255 P CB 0.613 32.347 31.700 0.057 0.000 0.984 256 A N 0.373 123.257 122.820 0.107 0.000 2.498 256 A HA 0.705 5.003 4.320 -0.038 0.000 0.298 256 A C -1.742 175.902 177.584 0.101 0.000 1.075 256 A CA -0.567 51.560 52.037 0.151 0.000 0.714 256 A CB 1.213 20.282 19.000 0.114 0.000 1.299 256 A HN 0.484 nan 8.150 nan 0.000 0.407 257 L N 0.753 122.083 121.223 0.179 0.000 2.381 257 L HA 0.564 4.881 4.340 -0.038 0.000 0.274 257 L C -0.588 176.364 176.870 0.138 0.000 0.988 257 L CA -0.210 54.699 54.840 0.116 0.000 0.824 257 L CB 1.656 43.793 42.059 0.130 0.000 1.263 257 L HN 0.659 nan 8.230 nan 0.000 0.410 258 K N 6.124 126.581 120.400 0.095 0.000 2.297 258 K HA 0.518 4.815 4.320 -0.038 0.000 0.286 258 K C -0.430 176.241 176.600 0.119 0.000 1.053 258 K CA -0.246 56.109 56.287 0.112 0.000 0.940 258 K CB 0.859 33.410 32.500 0.086 0.000 1.019 258 K HN 0.696 nan 8.250 nan 0.000 0.475 259 I N -0.262 120.406 120.570 0.164 0.000 2.863 259 I HA 0.451 4.599 4.170 -0.038 0.000 0.311 259 I C -0.224 176.028 176.117 0.224 0.000 1.026 259 I CA -1.100 60.291 61.300 0.151 0.000 1.077 259 I CB 1.726 39.800 38.000 0.124 0.000 1.262 259 I HN 0.505 nan 8.210 nan 0.000 0.461 260 N N 1.948 120.743 118.700 0.159 0.000 2.643 260 N HA 0.290 5.007 4.740 -0.038 0.000 0.305 260 N C 0.309 175.880 175.510 0.103 0.000 1.283 260 N CA -0.790 52.380 53.050 0.201 0.000 0.946 260 N CB 0.655 39.220 38.487 0.130 0.000 1.149 260 N HN 0.787 nan 8.380 nan 0.000 0.600 261 K N -0.759 119.737 120.400 0.159 0.000 2.103 261 K HA 0.017 4.314 4.320 -0.038 0.000 0.204 261 K C 1.212 177.823 176.600 0.017 0.000 1.052 261 K CA 0.738 57.046 56.287 0.034 0.000 0.945 261 K CB -0.185 32.456 32.500 0.236 0.000 0.722 261 K HN 0.362 nan 8.250 nan 0.000 0.443 262 V N 2.280 122.223 119.914 0.049 0.000 2.343 262 V HA -0.248 3.850 4.120 -0.038 0.000 0.247 262 V C 1.681 177.856 176.094 0.134 0.000 1.051 262 V CA 2.016 64.338 62.300 0.036 0.000 1.036 262 V CB -0.501 31.289 31.823 -0.055 0.000 0.654 262 V HN 0.383 nan 8.190 nan 0.000 0.451 263 D N -0.209 120.295 120.400 0.172 0.000 2.104 263 D HA -0.234 4.383 4.640 -0.038 0.000 0.194 263 D C 2.044 178.484 176.300 0.233 0.000 0.994 263 D CA 1.690 55.846 54.000 0.260 0.000 0.830 263 D CB -0.296 40.576 40.800 0.121 0.000 0.959 263 D HN 0.410 nan 8.370 nan 0.000 0.452 264 M N 0.864 120.475 119.600 0.018 0.000 2.159 264 M HA -0.164 4.294 4.480 -0.038 0.000 0.263 264 M C 1.925 178.313 176.300 0.146 0.000 1.063 264 M CA 1.507 56.776 55.300 -0.052 0.000 1.110 264 M CB -0.198 32.064 32.600 -0.563 0.000 1.374 264 M HN -0.089 nan 8.290 nan 0.000 0.411 265 Q N -1.680 118.224 119.800 0.172 0.000 2.167 265 Q HA -0.181 4.136 4.340 -0.038 0.000 0.202 265 Q C 1.847 177.868 176.000 0.036 0.000 0.970 265 Q CA 1.962 57.845 55.803 0.133 0.000 0.855 265 Q CB -0.320 28.353 28.738 -0.109 0.000 0.911 265 Q HN 0.705 nan 8.270 nan 0.000 0.438 266 W N -0.397 120.979 121.300 0.128 0.000 2.418 266 W HA -0.130 4.508 4.660 -0.037 0.000 0.292 266 W C 2.022 178.568 176.519 0.045 0.000 1.213 266 W CA 0.208 57.619 57.345 0.109 0.000 1.283 266 W CB 0.026 29.616 29.460 0.216 0.000 1.119 266 W HN -0.087 nan 8.180 nan 0.000 0.542 267 V N 0.365 120.470 119.914 0.319 0.000 2.469 267 V HA -0.363 3.734 4.120 -0.038 0.000 0.251 267 V C 2.135 178.253 176.094 0.040 0.000 1.064 267 V CA 2.291 64.667 62.300 0.127 0.000 1.066 267 V CB -0.796 31.122 31.823 0.158 0.000 0.667 267 V HN 0.335 nan 8.190 nan 0.000 0.461 268 Q N -0.551 119.313 119.800 0.107 0.000 2.163 268 Q HA -0.105 4.212 4.340 -0.038 0.000 0.198 268 Q C 2.262 178.361 176.000 0.166 0.000 0.954 268 Q CA 1.224 57.088 55.803 0.101 0.000 0.851 268 Q CB 0.099 28.951 28.738 0.189 0.000 0.928 268 Q HN 0.472 nan 8.270 nan 0.000 0.459 269 V N 1.534 121.559 119.914 0.185 0.000 2.250 269 V HA -0.338 3.759 4.120 -0.038 0.000 0.250 269 V C 2.379 178.676 176.094 0.339 0.000 1.060 269 V CA 1.908 64.412 62.300 0.339 0.000 1.030 269 V CB -0.582 31.456 31.823 0.358 0.000 0.643 269 V HN 0.409 nan 8.190 nan 0.000 0.445 270 L N -0.391 120.911 121.223 0.130 0.000 2.056 270 L HA -0.136 4.181 4.340 -0.038 0.000 0.207 270 L C 2.720 179.531 176.870 -0.097 0.000 1.078 270 L CA 1.490 56.322 54.840 -0.012 0.000 0.749 270 L CB -0.776 41.145 42.059 -0.231 0.000 0.901 270 L HN 0.364 nan 8.230 nan 0.000 0.433 271 A N -0.077 122.613 122.820 -0.217 0.000 1.917 271 A HA -0.250 4.048 4.320 -0.038 0.000 0.219 271 A C 2.080 179.392 177.584 -0.453 0.000 1.182 271 A CA 1.933 53.631 52.037 -0.565 0.000 0.633 271 A CB -0.461 17.996 19.000 -0.906 0.000 0.819 271 A HN 0.506 nan 8.150 nan 0.000 0.448 272 E N -2.038 118.067 120.200 -0.159 0.000 2.481 272 E HA 0.258 4.585 4.350 -0.038 0.000 0.195 272 E C 1.117 177.597 176.600 -0.199 0.000 1.047 272 E CA 0.311 56.664 56.400 -0.077 0.000 0.867 272 E CB -0.021 29.735 29.700 0.094 0.000 0.858 272 E HN 0.795 nan 8.360 nan 0.000 0.513 273 G N 0.543 109.280 108.800 -0.106 0.000 2.159 273 G HA2 -0.237 3.700 3.960 -0.038 0.000 0.227 273 G HA3 -0.237 3.700 3.960 -0.038 0.000 0.227 273 G C 0.413 175.289 174.900 -0.040 0.000 0.986 273 G CA 0.038 45.080 45.100 -0.097 0.000 0.651 273 G HN 0.321 nan 8.290 nan 0.000 0.523 274 W N 0.399 121.792 121.300 0.154 0.000 2.425 274 W HA 0.404 5.042 4.660 -0.036 0.000 0.277 274 W C 2.311 179.013 176.519 0.306 0.000 1.231 274 W CA 1.252 58.718 57.345 0.203 0.000 1.248 274 W CB 0.109 29.721 29.460 0.254 0.000 1.117 274 W HN 0.611 nan 8.180 nan 0.000 0.568 275 A N -0.067 123.078 122.820 0.542 0.000 2.532 275 A HA 0.242 4.540 4.320 -0.038 0.000 0.273 275 A C 0.531 178.272 177.584 0.262 0.000 1.342 275 A CA -0.065 52.256 52.037 0.473 0.000 0.929 275 A CB -0.847 18.363 19.000 0.349 0.000 1.051 275 A HN -0.094 nan 8.150 nan 0.000 0.521 276 T N 3.084 117.766 114.554 0.214 0.000 2.946 276 T HA 0.171 4.498 4.350 -0.038 0.000 0.312 276 T C -1.615 173.166 174.700 0.135 0.000 1.066 276 T CA 0.235 62.414 62.100 0.133 0.000 1.138 276 T CB 0.636 69.579 68.868 0.126 0.000 1.014 276 T HN 0.324 nan 8.240 nan 0.000 0.544 277 P HA 0.229 nan 4.420 nan 0.000 0.254 277 P C -0.005 177.297 177.300 0.003 0.000 1.620 277 P CA -0.177 62.927 63.100 0.006 0.000 1.050 277 P CB -0.006 31.669 31.700 -0.042 0.000 1.539 278 L N 0.938 122.173 121.223 0.022 0.000 2.514 278 L HA 0.032 4.349 4.340 -0.038 0.000 0.280 278 L C 1.587 178.439 176.870 -0.029 0.000 1.223 278 L CA 0.259 55.096 54.840 -0.005 0.000 0.864 278 L CB 0.065 42.117 42.059 -0.012 0.000 1.118 278 L HN 0.005 nan 8.230 nan 0.000 0.494 279 N N 1.498 120.176 118.700 -0.037 0.000 2.280 279 N HA 0.192 4.910 4.740 -0.038 0.000 0.192 279 N C 0.349 175.816 175.510 -0.071 0.000 1.109 279 N CA 0.460 53.483 53.050 -0.045 0.000 0.855 279 N CB 1.269 39.738 38.487 -0.030 0.000 0.974 279 N HN 0.818 nan 8.380 nan 0.000 0.482 280 G N -0.403 108.338 108.800 -0.100 0.000 2.336 280 G HA2 0.209 4.146 3.960 -0.038 0.000 0.286 280 G HA3 0.209 4.146 3.960 -0.038 0.000 0.286 280 G C -1.514 173.270 174.900 -0.193 0.000 1.269 280 G CA -0.977 44.027 45.100 -0.159 0.000 0.873 280 G HN -0.024 nan 8.290 nan 0.000 0.494 281 F N 1.359 121.272 119.950 -0.062 0.000 2.563 281 F HA 0.373 4.877 4.527 -0.038 0.000 0.363 281 F C 1.701 177.475 175.800 -0.044 0.000 1.123 281 F CA 0.245 58.198 58.000 -0.079 0.000 1.307 281 F CB 0.622 39.561 39.000 -0.103 0.000 1.115 281 F HN 0.141 nan 8.300 nan 0.000 0.592 282 M N 4.100 123.789 119.600 0.149 0.000 2.260 282 M HA 0.039 4.496 4.480 -0.038 0.000 0.348 282 M C 0.440 176.843 176.300 0.170 0.000 1.342 282 M CA 0.715 56.086 55.300 0.118 0.000 1.040 282 M CB 0.346 33.027 32.600 0.136 0.000 1.810 282 M HN 0.570 nan 8.290 nan 0.000 0.453 283 R N 1.508 122.045 120.500 0.062 0.000 2.652 283 R HA 0.038 4.355 4.340 -0.038 0.000 0.271 283 R C 1.201 177.260 176.300 -0.401 0.000 1.129 283 R CA -0.415 55.647 56.100 -0.063 0.000 1.200 283 R CB 0.396 30.654 30.300 -0.070 0.000 1.146 283 R HN 0.690 nan 8.270 nan 0.000 0.581 284 E N 1.284 120.888 120.200 -0.993 0.000 2.070 284 E HA -0.313 4.014 4.350 -0.038 0.000 0.197 284 E C 2.013 178.391 176.600 -0.371 0.000 1.004 284 E CA 1.624 57.298 56.400 -1.211 0.000 0.805 284 E CB 0.084 29.252 29.700 -0.887 0.000 0.744 284 E HN 0.400 nan 8.360 nan 0.000 0.451 285 R N 0.465 120.827 120.500 -0.230 0.000 2.081 285 R HA -0.189 4.129 4.340 -0.038 0.000 0.235 285 R C 1.991 178.276 176.300 -0.025 0.000 1.131 285 R CA 2.020 58.069 56.100 -0.084 0.000 0.960 285 R CB -0.078 30.183 30.300 -0.064 0.000 0.856 285 R HN 0.229 nan 8.270 nan 0.000 0.436 286 E N -0.717 119.467 120.200 -0.025 0.000 2.106 286 E HA -0.222 4.105 4.350 -0.038 0.000 0.192 286 E C 1.735 178.374 176.600 0.065 0.000 0.984 286 E CA 1.230 57.645 56.400 0.024 0.000 0.806 286 E CB -0.287 29.427 29.700 0.022 0.000 0.750 286 E HN 0.391 nan 8.360 nan 0.000 0.458 287 Y N 1.531 121.793 120.300 -0.065 0.000 2.181 287 Y HA -0.168 4.359 4.550 -0.038 0.000 0.288 287 Y C 1.817 177.704 175.900 -0.021 0.000 1.146 287 Y CA 1.322 59.413 58.100 -0.016 0.000 1.164 287 Y CB -0.103 38.412 38.460 0.092 0.000 0.982 287 Y HN -0.060 nan 8.280 nan 0.000 0.515 288 L N -0.255 120.960 121.223 -0.015 0.000 2.156 288 L HA -0.216 4.102 4.340 -0.038 0.000 0.208 288 L C 2.445 179.287 176.870 -0.047 0.000 1.095 288 L CA 1.325 56.137 54.840 -0.046 0.000 0.770 288 L CB -0.587 41.495 42.059 0.040 0.000 0.914 288 L HN 0.264 nan 8.230 nan 0.000 0.439 289 Q N -0.894 118.920 119.800 0.025 0.000 2.084 289 Q HA -0.251 4.067 4.340 -0.038 0.000 0.202 289 Q C 2.546 178.560 176.000 0.023 0.000 0.978 289 Q CA 1.884 57.781 55.803 0.157 0.000 0.844 289 Q CB -0.414 28.456 28.738 0.220 0.000 0.898 289 Q HN 0.649 nan 8.270 nan 0.000 0.426 290 C N 0.430 119.692 119.300 -0.064 0.000 2.453 290 C HA -0.068 4.369 4.460 -0.038 0.000 0.277 290 C C 2.442 177.291 174.990 -0.235 0.000 1.262 290 C CA 0.440 59.393 59.018 -0.108 0.000 1.718 290 C CB -0.952 26.719 27.740 -0.116 0.000 2.031 290 C HN 0.486 nan 8.230 nan 0.000 0.480 291 L N -0.264 120.721 121.223 -0.397 0.000 2.093 291 L HA -0.083 4.235 4.340 -0.038 0.000 0.208 291 L C 2.803 179.300 176.870 -0.621 0.000 1.085 291 L CA 1.457 55.975 54.840 -0.537 0.000 0.755 291 L CB -0.763 40.858 42.059 -0.729 0.000 0.904 291 L HN 0.538 nan 8.230 nan 0.000 0.435 292 H N -1.664 117.067 119.070 -0.566 0.000 2.451 292 H HA 0.060 4.594 4.556 -0.037 0.000 0.294 292 H C 1.550 176.483 175.328 -0.658 0.000 1.028 292 H CA 1.135 56.729 56.048 -0.756 0.000 1.349 292 H CB 0.328 29.320 29.762 -1.282 0.000 1.444 292 H HN 0.326 nan 8.280 nan 0.000 0.538 293 F N 0.080 120.050 119.950 0.034 0.000 2.706 293 F HA 0.145 4.649 4.527 -0.038 0.000 0.308 293 F C 0.208 175.995 175.800 -0.021 0.000 1.095 293 F CA -0.359 57.646 58.000 0.008 0.000 1.244 293 F CB 0.756 39.764 39.000 0.014 0.000 1.063 293 F HN -0.136 nan 8.300 nan 0.000 0.582 294 D N 0.095 120.535 120.400 0.066 0.000 3.059 294 D HA -0.194 4.423 4.640 -0.038 0.000 0.220 294 D C -0.704 175.635 176.300 0.064 0.000 1.169 294 D CA 0.621 54.633 54.000 0.020 0.000 0.902 294 D CB -1.502 39.299 40.800 0.002 0.000 1.116 294 D HN 0.212 nan 8.370 nan 0.000 0.417 295 C N -0.266 119.102 119.300 0.115 0.000 2.994 295 C HA 0.609 5.046 4.460 -0.038 0.000 0.305 295 C C 0.140 175.192 174.990 0.103 0.000 1.251 295 C CA -1.130 57.950 59.018 0.103 0.000 1.478 295 C CB 1.728 29.524 27.740 0.094 0.000 1.922 295 C HN 0.161 nan 8.230 nan 0.000 0.472 296 L N 2.516 123.778 121.223 0.065 0.000 2.312 296 L HA 0.413 4.730 4.340 -0.038 0.000 0.281 296 L C 0.428 177.308 176.870 0.018 0.000 1.070 296 L CA -0.119 54.748 54.840 0.044 0.000 0.805 296 L CB 0.701 42.772 42.059 0.021 0.000 1.174 296 L HN 0.702 nan 8.230 nan 0.000 0.434 297 L N 0.349 121.580 121.223 0.014 0.000 2.672 297 L HA 0.177 4.494 4.340 -0.038 0.000 0.236 297 L C -0.106 176.746 176.870 -0.030 0.000 1.092 297 L CA -0.181 54.646 54.840 -0.023 0.000 0.887 297 L CB 0.194 42.223 42.059 -0.050 0.000 1.168 297 L HN 0.568 nan 8.230 nan 0.000 0.502 298 D N 2.035 122.424 120.400 -0.019 0.000 2.382 298 D HA 0.278 4.895 4.640 -0.038 0.000 0.259 298 D C 1.245 177.528 176.300 -0.029 0.000 1.224 298 D CA 1.150 55.137 54.000 -0.021 0.000 0.894 298 D CB 0.940 41.732 40.800 -0.013 0.000 1.127 298 D HN 0.305 nan 8.370 nan 0.000 0.487 299 G N 1.567 110.351 108.800 -0.027 0.000 2.136 299 G HA2 0.110 4.048 3.960 -0.038 0.000 0.242 299 G HA3 0.110 4.048 3.960 -0.038 0.000 0.242 299 G C 0.579 175.456 174.900 -0.038 0.000 0.989 299 G CA 0.223 45.307 45.100 -0.027 0.000 0.682 299 G HN 1.209 nan 8.290 nan 0.000 0.522 300 G N -2.712 106.062 108.800 -0.044 0.000 2.362 300 G HA2 0.400 4.338 3.960 -0.038 0.000 0.656 300 G HA3 0.400 4.338 3.960 -0.038 0.000 0.656 300 G C -0.572 174.292 174.900 -0.061 0.000 1.376 300 G CA -0.073 44.996 45.100 -0.052 0.000 0.971 300 G HN 1.389 nan 8.290 nan 0.000 0.636 301 V N 2.045 121.928 119.914 -0.051 0.000 2.455 301 V HA 0.455 4.553 4.120 -0.038 0.000 0.273 301 V C 0.405 176.478 176.094 -0.036 0.000 1.045 301 V CA -0.309 61.970 62.300 -0.034 0.000 0.976 301 V CB 0.988 32.802 31.823 -0.016 0.000 0.993 301 V HN 0.565 nan 8.190 nan 0.000 0.475 302 I N 4.805 125.359 120.570 -0.026 0.000 2.447 302 I HA 0.287 4.434 4.170 -0.038 0.000 0.287 302 I C 0.240 176.427 176.117 0.117 0.000 1.023 302 I CA -0.526 60.759 61.300 -0.025 0.000 1.083 302 I CB 1.698 39.617 38.000 -0.136 0.000 1.245 302 I HN 0.604 nan 8.210 nan 0.000 0.434 303 N N 7.776 126.615 118.700 0.232 0.000 2.440 303 N HA 0.179 4.896 4.740 -0.038 0.000 0.265 303 N C -1.207 174.424 175.510 0.203 0.000 1.239 303 N CA 0.496 53.654 53.050 0.178 0.000 0.909 303 N CB 0.764 39.339 38.487 0.145 0.000 1.066 303 N HN 0.564 nan 8.380 nan 0.000 0.474 304 L N 3.286 124.596 121.223 0.145 0.000 2.752 304 L HA 0.041 4.359 4.340 -0.038 0.000 0.257 304 L C 0.562 177.462 176.870 0.050 0.000 0.968 304 L CA -0.159 54.773 54.840 0.153 0.000 0.953 304 L CB 1.047 43.185 42.059 0.132 0.000 1.286 304 L HN 0.608 nan 8.230 nan 0.000 0.443 305 S N 1.649 117.368 115.700 0.031 0.000 2.540 305 S HA 0.212 4.659 4.470 -0.038 0.000 0.218 305 S C 0.195 174.686 174.600 -0.181 0.000 0.977 305 S CA 0.160 58.320 58.200 -0.067 0.000 0.918 305 S CB 0.374 63.543 63.200 -0.051 0.000 0.806 305 S HN 0.366 nan 8.310 nan 0.000 0.496 306 V N -1.594 118.173 119.914 -0.244 0.000 2.656 306 V HA 0.702 4.799 4.120 -0.038 0.000 0.307 306 V C -3.352 172.507 176.094 -0.392 0.000 1.051 306 V CA -3.025 59.041 62.300 -0.390 0.000 0.893 306 V CB 1.303 32.811 31.823 -0.525 0.000 0.999 306 V HN -0.123 nan 8.190 nan 0.000 0.426 307 P HA 0.342 nan 4.420 nan 0.000 0.266 307 P C -0.535 176.488 177.300 -0.462 0.000 1.195 307 P CA 0.384 63.360 63.100 -0.206 0.000 0.768 307 P CB 0.330 32.041 31.700 0.018 0.000 0.838 308 I N 3.237 123.584 120.570 -0.371 0.000 2.623 308 I HA 0.230 4.377 4.170 -0.038 0.000 0.275 308 I C -0.116 175.935 176.117 -0.110 0.000 1.108 308 I CA -0.786 60.211 61.300 -0.505 0.000 1.120 308 I CB 1.072 38.812 38.000 -0.434 0.000 1.249 308 I HN 0.089 nan 8.210 nan 0.000 0.500 309 V N 3.044 122.852 119.914 -0.175 0.000 3.001 309 V HA 0.674 4.771 4.120 -0.038 0.000 0.314 309 V C -1.204 174.647 176.094 -0.405 0.000 1.099 309 V CA -0.965 61.252 62.300 -0.140 0.000 0.989 309 V CB 2.660 34.290 31.823 -0.321 0.000 1.040 309 V HN 0.409 nan 8.190 nan 0.000 0.434 310 L N 3.274 124.074 121.223 -0.705 0.000 2.322 310 L HA 0.825 5.142 4.340 -0.038 0.000 0.281 310 L C 0.541 177.097 176.870 -0.523 0.000 1.014 310 L CA 0.484 54.816 54.840 -0.847 0.000 0.815 310 L CB 1.874 43.193 42.059 -1.234 0.000 1.247 310 L HN 1.202 nan 8.230 nan 0.000 0.421 311 T N 1.796 116.123 114.554 -0.379 0.000 2.897 311 T HA 0.956 5.283 4.350 -0.038 0.000 0.278 311 T C -0.301 174.317 174.700 -0.136 0.000 0.981 311 T CA -0.198 61.736 62.100 -0.276 0.000 0.973 311 T CB 1.700 70.459 68.868 -0.182 0.000 1.092 311 T HN 1.096 nan 8.240 nan 0.000 0.543 312 A N 1.086 123.883 122.820 -0.039 0.000 2.582 312 A HA 0.651 4.949 4.320 -0.038 0.000 0.297 312 A C 0.160 177.806 177.584 0.103 0.000 1.059 312 A CA -0.672 51.384 52.037 0.032 0.000 0.705 312 A CB 0.593 19.632 19.000 0.065 0.000 1.279 312 A HN 1.345 nan 8.150 nan 0.000 0.404 313 T N -0.728 113.875 114.554 0.082 0.000 2.788 313 T HA 0.367 4.694 4.350 -0.038 0.000 0.287 313 T C 1.056 175.849 174.700 0.155 0.000 1.007 313 T CA 0.675 62.851 62.100 0.127 0.000 1.005 313 T CB 0.172 69.098 68.868 0.097 0.000 1.012 313 T HN 0.624 nan 8.240 nan 0.000 0.530 314 H N 0.174 119.381 119.070 0.228 0.000 2.422 314 H HA -0.043 4.490 4.556 -0.038 0.000 0.298 314 H C 2.102 177.396 175.328 -0.056 0.000 1.098 314 H CA 2.084 58.221 56.048 0.147 0.000 1.315 314 H CB 0.006 29.878 29.762 0.184 0.000 1.382 314 H HN 0.650 nan 8.280 nan 0.000 0.523 315 E N 0.077 120.324 120.200 0.079 0.000 2.072 315 E HA -0.104 4.223 4.350 -0.038 0.000 0.190 315 E C 1.685 178.233 176.600 -0.087 0.000 0.982 315 E CA 0.970 57.363 56.400 -0.012 0.000 0.803 315 E CB -0.071 29.632 29.700 0.005 0.000 0.755 315 E HN 0.467 nan 8.360 nan 0.000 0.453 316 D N 0.149 120.500 120.400 -0.081 0.000 2.183 316 D HA -0.103 4.515 4.640 -0.038 0.000 0.203 316 D C 1.717 177.877 176.300 -0.233 0.000 0.969 316 D CA 0.633 54.554 54.000 -0.131 0.000 0.842 316 D CB 0.050 40.801 40.800 -0.083 0.000 0.957 316 D HN 0.066 nan 8.370 nan 0.000 0.484 317 K N 1.179 121.399 120.400 -0.300 0.000 2.057 317 K HA -0.131 4.166 4.320 -0.038 0.000 0.206 317 K C 1.687 177.866 176.600 -0.701 0.000 1.050 317 K CA 0.979 56.882 56.287 -0.640 0.000 0.935 317 K CB 0.149 32.065 32.500 -0.974 0.000 0.715 317 K HN 0.150 nan 8.250 nan 0.000 0.439 318 E N 0.020 119.949 120.200 -0.451 0.000 2.112 318 E HA -0.151 4.177 4.350 -0.038 0.000 0.190 318 E C 2.205 178.624 176.600 -0.302 0.000 0.979 318 E CA 0.473 56.653 56.400 -0.367 0.000 0.814 318 E CB 0.002 29.564 29.700 -0.231 0.000 0.762 318 E HN 0.233 nan 8.360 nan 0.000 0.460 319 R N 0.899 121.249 120.500 -0.250 0.000 2.094 319 R HA -0.151 4.166 4.340 -0.038 0.000 0.239 319 R C 2.077 178.231 176.300 -0.243 0.000 1.137 319 R CA 1.408 57.384 56.100 -0.207 0.000 0.943 319 R CB -0.112 30.086 30.300 -0.170 0.000 0.850 319 R HN 0.130 nan 8.270 nan 0.000 0.433 320 L N 0.040 121.061 121.223 -0.338 0.000 2.477 320 L HA 0.104 4.421 4.340 -0.038 0.000 0.220 320 L C 0.345 177.045 176.870 -0.283 0.000 1.106 320 L CA -0.363 54.300 54.840 -0.295 0.000 0.851 320 L CB -0.049 41.774 42.059 -0.394 0.000 0.994 320 L HN 0.170 nan 8.230 nan 0.000 0.462 321 D N 0.493 120.524 120.400 -0.616 0.000 2.401 321 D HA 0.287 4.904 4.640 -0.038 0.000 0.254 321 D C 1.074 177.225 176.300 -0.250 0.000 1.192 321 D CA 1.386 54.967 54.000 -0.699 0.000 0.885 321 D CB 1.127 41.385 40.800 -0.903 0.000 1.147 321 D HN 0.273 nan 8.370 nan 0.000 0.478 322 G N 2.481 111.242 108.800 -0.065 0.000 2.284 322 G HA2 -0.247 3.690 3.960 -0.038 0.000 0.216 322 G HA3 -0.247 3.690 3.960 -0.038 0.000 0.216 322 G C 0.702 175.629 174.900 0.044 0.000 1.009 322 G CA 0.043 45.135 45.100 -0.014 0.000 0.625 322 G HN 0.968 nan 8.290 nan 0.000 0.501 323 C N 1.899 121.245 119.300 0.077 0.000 2.539 323 C HA 0.778 5.215 4.460 -0.038 0.000 0.392 323 C C 2.122 177.218 174.990 0.176 0.000 1.269 323 C CA 0.984 60.073 59.018 0.119 0.000 2.250 323 C CB 0.911 28.727 27.740 0.127 0.000 2.584 323 C HN 1.075 nan 8.230 nan 0.000 0.589 324 T N -0.032 114.603 114.554 0.135 0.000 3.107 324 T HA 0.491 4.819 4.350 -0.038 0.000 0.249 324 T C 0.317 175.083 174.700 0.110 0.000 1.096 324 T CA 0.496 62.666 62.100 0.116 0.000 1.012 324 T CB -0.224 68.689 68.868 0.074 0.000 0.977 324 T HN 2.014 nan 8.240 nan 0.000 0.527 325 A N 0.890 123.801 122.820 0.152 0.000 2.583 325 A HA 0.630 4.927 4.320 -0.038 0.000 0.298 325 A C -1.377 176.335 177.584 0.213 0.000 1.055 325 A CA -1.268 50.827 52.037 0.096 0.000 0.714 325 A CB 0.637 19.663 19.000 0.043 0.000 1.277 325 A HN 0.714 nan 8.150 nan 0.000 0.406 326 F N -0.266 119.717 119.950 0.056 0.000 2.645 326 F HA 0.918 5.422 4.527 -0.038 0.000 0.310 326 F C -0.169 175.664 175.800 0.056 0.000 1.102 326 F CA -0.748 57.285 58.000 0.056 0.000 0.952 326 F CB 1.272 40.310 39.000 0.064 0.000 1.326 326 F HN 1.093 nan 8.300 nan 0.000 0.456 327 A N 2.590 125.563 122.820 0.256 0.000 2.312 327 A HA 0.798 5.095 4.320 -0.038 0.000 0.326 327 A C -1.081 176.633 177.584 0.216 0.000 1.172 327 A CA -0.856 51.264 52.037 0.139 0.000 0.821 327 A CB 0.806 19.883 19.000 0.128 0.000 1.166 327 A HN 0.818 nan 8.150 nan 0.000 0.493 328 L N 2.062 123.369 121.223 0.138 0.000 2.307 328 L HA 0.554 4.872 4.340 -0.038 0.000 0.282 328 L C -0.002 176.966 176.870 0.164 0.000 1.051 328 L CA -0.064 54.882 54.840 0.177 0.000 0.804 328 L CB 1.399 43.551 42.059 0.154 0.000 1.197 328 L HN 0.776 nan 8.230 nan 0.000 0.431 329 M N 3.978 123.684 119.600 0.177 0.000 2.085 329 M HA 0.347 4.805 4.480 -0.038 0.000 0.309 329 M C -1.819 174.617 176.300 0.226 0.000 0.947 329 M CA -0.618 54.780 55.300 0.164 0.000 0.918 329 M CB 1.319 33.995 32.600 0.126 0.000 1.504 329 M HN 0.488 nan 8.290 nan 0.000 0.420 330 Y N 4.003 124.348 120.300 0.075 0.000 2.331 330 Y HA 0.306 4.832 4.550 -0.039 0.000 0.338 330 Y C -0.078 175.860 175.900 0.065 0.000 0.992 330 Y CA -0.466 57.681 58.100 0.079 0.000 1.121 330 Y CB 0.827 39.336 38.460 0.081 0.000 1.184 330 Y HN 0.846 nan 8.280 nan 0.000 0.469 331 E N 4.154 124.140 120.200 -0.356 0.000 2.252 331 E HA -0.259 4.068 4.350 -0.038 0.000 0.218 331 E C 1.091 177.610 176.600 -0.135 0.000 1.253 331 E CA 0.787 56.992 56.400 -0.325 0.000 0.705 331 E CB -1.277 28.122 29.700 -0.501 0.000 1.172 331 E HN 1.206 nan 8.360 nan 0.000 0.369 332 G N 0.191 108.961 108.800 -0.049 0.000 2.205 332 G HA2 -0.419 3.518 3.960 -0.038 0.000 0.269 332 G HA3 -0.419 3.518 3.960 -0.038 0.000 0.269 332 G C 0.310 175.217 174.900 0.013 0.000 0.977 332 G CA 1.023 46.120 45.100 -0.005 0.000 0.652 332 G HN 0.371 nan 8.290 nan 0.000 0.539 333 R N 0.124 120.633 120.500 0.015 0.000 2.349 333 R HA 0.474 4.791 4.340 -0.038 0.000 0.299 333 R C 0.336 176.683 176.300 0.079 0.000 1.027 333 R CA -0.822 55.302 56.100 0.041 0.000 0.958 333 R CB 0.869 31.188 30.300 0.031 0.000 1.047 333 R HN 0.196 nan 8.270 nan 0.000 0.468 334 R N 2.052 122.598 120.500 0.075 0.000 2.357 334 R HA -0.002 4.315 4.340 -0.038 0.000 0.330 334 R C 1.173 177.527 176.300 0.090 0.000 1.102 334 R CA -0.059 56.093 56.100 0.088 0.000 0.974 334 R CB 0.318 30.665 30.300 0.078 0.000 1.002 334 R HN 0.544 nan 8.270 nan 0.000 0.463 335 V N -0.519 119.461 119.914 0.109 0.000 3.644 335 V HA 0.488 4.586 4.120 -0.038 0.000 0.267 335 V C 0.520 176.669 176.094 0.092 0.000 1.277 335 V CA 0.515 62.878 62.300 0.105 0.000 1.096 335 V CB 0.095 31.994 31.823 0.126 0.000 0.828 335 V HN 0.636 nan 8.190 nan 0.000 0.446 336 A N -0.253 122.614 122.820 0.080 0.000 2.583 336 A HA 0.756 5.053 4.320 -0.038 0.000 0.292 336 A C -1.434 176.161 177.584 0.019 0.000 1.045 336 A CA -0.549 51.518 52.037 0.051 0.000 0.672 336 A CB 0.972 20.003 19.000 0.053 0.000 1.283 336 A HN 0.219 nan 8.150 nan 0.000 0.419 337 I N 0.894 121.452 120.570 -0.019 0.000 2.474 337 I HA 0.475 4.623 4.170 -0.038 0.000 0.294 337 I C -1.080 174.944 176.117 -0.156 0.000 1.005 337 I CA -0.806 60.449 61.300 -0.075 0.000 1.113 337 I CB 1.855 39.834 38.000 -0.035 0.000 1.289 337 I HN 0.558 nan 8.210 nan 0.000 0.436 338 L N 7.297 128.311 121.223 -0.349 0.000 2.294 338 L HA 0.474 4.791 4.340 -0.038 0.000 0.283 338 L C -0.279 176.393 176.870 -0.331 0.000 1.015 338 L CA -0.073 54.539 54.840 -0.380 0.000 0.831 338 L CB 0.568 42.224 42.059 -0.671 0.000 1.217 338 L HN 0.486 nan 8.230 nan 0.000 0.420 339 R N 3.996 124.405 120.500 -0.152 0.000 2.457 339 R HA 0.396 4.714 4.340 -0.038 0.000 0.284 339 R C -0.144 176.137 176.300 -0.030 0.000 1.024 339 R CA -0.732 55.326 56.100 -0.069 0.000 1.025 339 R CB 0.701 30.981 30.300 -0.034 0.000 1.063 339 R HN 0.677 nan 8.270 nan 0.000 0.493 340 N N 0.714 119.424 118.700 0.017 0.000 2.708 340 N HA -0.106 4.611 4.740 -0.038 0.000 0.255 340 N C -2.567 172.970 175.510 0.045 0.000 1.046 340 N CA 0.466 53.541 53.050 0.042 0.000 0.715 340 N CB -1.127 37.376 38.487 0.026 0.000 0.895 340 N HN 0.451 nan 8.380 nan 0.000 0.545 341 P HA 0.175 nan 4.420 nan 0.000 0.277 341 P C -0.111 177.201 177.300 0.019 0.000 1.240 341 P CA 0.155 63.265 63.100 0.017 0.000 0.798 341 P CB 0.885 32.657 31.700 0.119 0.000 0.979 342 E N 0.879 121.027 120.200 -0.087 0.000 2.317 342 E HA 0.566 4.893 4.350 -0.038 0.000 0.270 342 E C -1.497 175.041 176.600 -0.104 0.000 0.885 342 E CA -0.815 55.613 56.400 0.047 0.000 0.760 342 E CB 1.147 30.934 29.700 0.145 0.000 1.227 342 E HN 0.132 nan 8.360 nan 0.000 0.434 343 F N 2.253 122.347 119.950 0.239 0.000 2.436 343 F HA 0.561 5.066 4.527 -0.038 0.000 0.340 343 F C -0.368 175.729 175.800 0.495 0.000 1.113 343 F CA -0.718 57.416 58.000 0.222 0.000 1.022 343 F CB 1.004 39.981 39.000 -0.039 0.000 1.128 343 F HN 0.495 nan 8.300 nan 0.000 0.466 344 F N -1.431 118.784 119.950 0.442 0.000 2.662 344 F HA 0.635 5.139 4.527 -0.038 0.000 0.312 344 F C -0.853 175.011 175.800 0.107 0.000 1.113 344 F CA -1.552 56.647 58.000 0.330 0.000 0.951 344 F CB 1.027 40.102 39.000 0.125 0.000 1.344 344 F HN 0.289 nan 8.300 nan 0.000 0.462 345 E N 0.370 120.547 120.200 -0.039 0.000 2.360 345 E HA 0.024 4.351 4.350 -0.038 0.000 0.269 345 E C -1.065 175.382 176.600 -0.255 0.000 1.022 345 E CA -0.148 55.985 56.400 -0.444 0.000 0.887 345 E CB 0.463 29.953 29.700 -0.351 0.000 0.990 345 E HN 0.657 nan 8.360 nan 0.000 0.426 346 H N 4.256 123.041 119.070 -0.475 0.000 2.914 346 H HA 0.102 4.635 4.556 -0.038 0.000 0.264 346 H C -0.411 174.802 175.328 -0.192 0.000 1.433 346 H CA -0.974 54.888 56.048 -0.311 0.000 1.342 346 H CB 0.073 29.643 29.762 -0.319 0.000 1.582 346 H HN 0.178 nan 8.280 nan 0.000 0.525 347 R N 4.403 124.939 120.500 0.059 0.000 2.441 347 R HA 0.007 4.324 4.340 -0.038 0.000 0.300 347 R C 0.650 176.927 176.300 -0.038 0.000 1.284 347 R CA -0.154 55.939 56.100 -0.011 0.000 1.069 347 R CB 0.328 30.658 30.300 0.051 0.000 1.087 347 R HN 0.671 nan 8.270 nan 0.000 0.519 348 K N 1.541 121.821 120.400 -0.200 0.000 2.062 348 K HA -0.164 4.133 4.320 -0.038 0.000 0.205 348 K C 1.787 178.322 176.600 -0.109 0.000 1.051 348 K CA 1.109 57.226 56.287 -0.284 0.000 0.941 348 K CB 0.196 32.463 32.500 -0.388 0.000 0.719 348 K HN 0.519 nan 8.250 nan 0.000 0.440 349 E N 1.503 121.654 120.200 -0.081 0.000 2.051 349 E HA -0.254 4.074 4.350 -0.038 0.000 0.192 349 E C 2.035 178.630 176.600 -0.007 0.000 0.991 349 E CA 1.227 57.603 56.400 -0.040 0.000 0.799 349 E CB 0.119 29.797 29.700 -0.036 0.000 0.748 349 E HN 0.275 nan 8.360 nan 0.000 0.449 350 E N 0.695 120.893 120.200 -0.003 0.000 2.077 350 E HA -0.251 4.076 4.350 -0.038 0.000 0.193 350 E C 2.341 178.943 176.600 0.003 0.000 0.989 350 E CA 0.972 57.372 56.400 -0.000 0.000 0.800 350 E CB -0.126 29.575 29.700 0.003 0.000 0.746 350 E HN 0.145 nan 8.360 nan 0.000 0.452 351 R N 0.171 120.704 120.500 0.054 0.000 2.073 351 R HA -0.151 4.167 4.340 -0.038 0.000 0.234 351 R C 2.361 178.748 176.300 0.146 0.000 1.134 351 R CA 1.850 58.007 56.100 0.095 0.000 0.952 351 R CB -0.622 29.839 30.300 0.268 0.000 0.850 351 R HN 0.310 nan 8.270 nan 0.000 0.433 352 C N 0.614 120.028 119.300 0.190 0.000 2.436 352 C HA -0.031 4.406 4.460 -0.038 0.000 0.277 352 C C 3.011 178.156 174.990 0.258 0.000 1.241 352 C CA 0.858 60.070 59.018 0.324 0.000 1.721 352 C CB -1.166 26.632 27.740 0.098 0.000 2.043 352 C HN 0.734 nan 8.230 nan 0.000 0.472 353 A N 0.936 123.821 122.820 0.107 0.000 1.884 353 A HA -0.271 4.026 4.320 -0.038 0.000 0.219 353 A C 2.210 179.815 177.584 0.035 0.000 1.197 353 A CA 2.077 54.151 52.037 0.062 0.000 0.637 353 A CB -0.629 18.383 19.000 0.021 0.000 0.827 353 A HN 0.712 nan 8.150 nan 0.000 0.450 354 R N -1.122 119.362 120.500 -0.026 0.000 2.092 354 R HA -0.127 4.191 4.340 -0.038 0.000 0.231 354 R C 2.542 178.760 176.300 -0.137 0.000 1.119 354 R CA 1.460 57.492 56.100 -0.113 0.000 0.970 354 R CB -0.309 29.846 30.300 -0.243 0.000 0.864 354 R HN 0.821 nan 8.270 nan 0.000 0.440 355 Q N -0.229 119.490 119.800 -0.134 0.000 2.096 355 Q HA -0.116 4.201 4.340 -0.038 0.000 0.197 355 Q C 1.173 176.946 176.000 -0.378 0.000 0.964 355 Q CA 1.055 56.647 55.803 -0.351 0.000 0.838 355 Q CB 0.278 28.684 28.738 -0.554 0.000 0.906 355 Q HN 0.433 nan 8.270 nan 0.000 0.444 356 W N -0.805 120.459 121.300 -0.060 0.000 3.103 356 W HA 0.316 4.954 4.660 -0.038 0.000 0.325 356 W C 0.776 177.349 176.519 0.090 0.000 1.170 356 W CA 0.587 57.932 57.345 -0.001 0.000 1.712 356 W CB 0.714 30.087 29.460 -0.144 0.000 1.068 356 W HN 0.442 nan 8.180 nan 0.000 0.592 357 G N 2.093 111.010 108.800 0.195 0.000 2.179 357 G HA2 -0.274 3.663 3.960 -0.038 0.000 0.257 357 G HA3 -0.274 3.663 3.960 -0.038 0.000 0.257 357 G C 0.043 175.005 174.900 0.103 0.000 1.010 357 G CA 1.197 46.382 45.100 0.142 0.000 0.736 357 G HN 0.232 nan 8.290 nan 0.000 0.513 358 T N -2.224 112.387 114.554 0.096 0.000 2.886 358 T HA 0.595 4.922 4.350 -0.038 0.000 0.330 358 T C 0.795 175.504 174.700 0.014 0.000 1.488 358 T CA 1.021 63.140 62.100 0.031 0.000 1.054 358 T CB 1.009 69.842 68.868 -0.059 0.000 1.348 358 T HN 0.978 nan 8.240 nan 0.000 0.489 359 T N -0.064 114.489 114.554 -0.002 0.000 3.129 359 T HA 0.206 4.534 4.350 -0.038 0.000 0.267 359 T C 1.220 175.888 174.700 -0.052 0.000 1.018 359 T CA -0.130 61.951 62.100 -0.032 0.000 0.903 359 T CB -1.003 67.857 68.868 -0.013 0.000 1.067 359 T HN 0.792 nan 8.240 nan 0.000 0.549 360 C N 3.470 122.743 119.300 -0.044 0.000 2.041 360 C HA 0.038 4.476 4.460 -0.038 0.000 0.416 360 C C 2.125 177.085 174.990 -0.051 0.000 1.521 360 C CA 0.135 59.137 59.018 -0.026 0.000 1.444 360 C CB -1.388 26.322 27.740 -0.051 0.000 2.659 360 C HN 0.650 nan 8.230 nan 0.000 0.615 361 K N 3.366 123.747 120.400 -0.032 0.000 2.173 361 K HA -0.156 4.141 4.320 -0.038 0.000 0.207 361 K C 1.232 177.813 176.600 -0.031 0.000 1.046 361 K CA 1.740 58.003 56.287 -0.040 0.000 0.929 361 K CB -0.005 32.481 32.500 -0.023 0.000 0.720 361 K HN 0.748 nan 8.250 nan 0.000 0.453 362 N N 0.162 118.856 118.700 -0.010 0.000 2.270 362 N HA -0.048 4.669 4.740 -0.038 0.000 0.198 362 N C -0.191 175.312 175.510 -0.012 0.000 1.117 362 N CA 0.123 53.169 53.050 -0.008 0.000 0.845 362 N CB 0.044 38.535 38.487 0.005 0.000 0.980 362 N HN 0.292 nan 8.380 nan 0.000 0.486 363 H N 2.349 121.346 119.070 -0.122 0.000 2.764 363 H HA 0.103 4.637 4.556 -0.036 0.000 0.341 363 H C -1.287 173.988 175.328 -0.087 0.000 1.072 363 H CA -1.004 54.964 56.048 -0.133 0.000 1.444 363 H CB 1.431 31.044 29.762 -0.248 0.000 1.458 363 H HN -0.047 nan 8.280 nan 0.000 0.572 364 P HA -0.171 nan 4.420 nan 0.000 0.222 364 P C 0.860 178.245 177.300 0.140 0.000 1.153 364 P CA 1.127 64.247 63.100 0.033 0.000 0.798 364 P CB 0.118 31.879 31.700 0.102 0.000 0.796 365 Y N 0.596 120.986 120.300 0.150 0.000 2.269 365 Y HA 0.035 4.562 4.550 -0.038 0.000 0.294 365 Y C 2.456 178.234 175.900 -0.204 0.000 1.120 365 Y CA 0.846 58.947 58.100 0.003 0.000 1.159 365 Y CB -0.816 37.871 38.460 0.379 0.000 1.024 365 Y HN -0.283 nan 8.280 nan 0.000 0.532 366 I N 0.339 120.813 120.570 -0.159 0.000 2.208 366 I HA -0.385 3.762 4.170 -0.038 0.000 0.245 366 I C 2.509 178.499 176.117 -0.212 0.000 1.097 366 I CA 1.818 62.861 61.300 -0.428 0.000 1.363 366 I CB -0.420 37.248 38.000 -0.553 0.000 1.051 366 I HN 0.159 nan 8.210 nan 0.000 0.413 367 K N 1.083 121.403 120.400 -0.134 0.000 2.074 367 K HA -0.236 4.062 4.320 -0.038 0.000 0.209 367 K C 2.197 178.706 176.600 -0.153 0.000 1.048 367 K CA 1.785 58.004 56.287 -0.112 0.000 0.926 367 K CB -0.075 32.389 32.500 -0.060 0.000 0.713 367 K HN 0.247 nan 8.250 nan 0.000 0.444 368 M N 0.093 119.544 119.600 -0.248 0.000 2.117 368 M HA -0.154 4.303 4.480 -0.038 0.000 0.262 368 M C 2.167 178.334 176.300 -0.222 0.000 1.065 368 M CA 1.204 56.324 55.300 -0.300 0.000 1.114 368 M CB -0.196 32.054 32.600 -0.583 0.000 1.361 368 M HN -0.007 nan 8.290 nan 0.000 0.408 369 V N 0.570 120.369 119.914 -0.192 0.000 2.343 369 V HA -0.257 3.840 4.120 -0.038 0.000 0.247 369 V C 2.532 178.571 176.094 -0.092 0.000 1.051 369 V CA 1.426 63.697 62.300 -0.048 0.000 1.036 369 V CB -0.566 31.293 31.823 0.061 0.000 0.654 369 V HN 0.481 nan 8.190 nan 0.000 0.451 370 M N -0.499 119.027 119.600 -0.125 0.000 2.358 370 M HA -0.139 4.318 4.480 -0.038 0.000 0.264 370 M C 1.881 178.127 176.300 -0.090 0.000 1.064 370 M CA 1.371 56.599 55.300 -0.120 0.000 1.093 370 M CB -1.167 31.371 32.600 -0.105 0.000 1.401 370 M HN 0.467 nan 8.290 nan 0.000 0.440 371 E N -0.357 119.795 120.200 -0.079 0.000 2.478 371 E HA 0.015 4.342 4.350 -0.038 0.000 0.194 371 E C 0.442 177.023 176.600 -0.032 0.000 1.045 371 E CA -0.096 56.274 56.400 -0.051 0.000 0.868 371 E CB 0.302 29.971 29.700 -0.052 0.000 0.885 371 E HN 0.597 nan 8.360 nan 0.000 0.505 372 Q N 0.065 119.850 119.800 -0.026 0.000 2.407 372 Q HA 0.290 4.607 4.340 -0.038 0.000 0.214 372 Q C 0.647 176.667 176.000 0.032 0.000 1.043 372 Q CA -0.351 55.461 55.803 0.016 0.000 0.983 372 Q CB 0.507 29.286 28.738 0.068 0.000 1.211 372 Q HN 0.126 nan 8.270 nan 0.000 0.564 373 G N -0.094 108.738 108.800 0.053 0.000 2.684 373 G HA2 -0.028 3.909 3.960 -0.038 0.000 0.255 373 G HA3 -0.028 3.909 3.960 -0.038 0.000 0.255 373 G C -0.555 174.376 174.900 0.051 0.000 1.219 373 G CA -0.275 44.859 45.100 0.057 0.000 0.901 373 G HN 0.613 nan 8.290 nan 0.000 0.548 374 D N -1.122 119.229 120.400 -0.081 0.000 2.349 374 D HA 0.167 4.784 4.640 -0.038 0.000 0.214 374 D C -0.445 175.455 176.300 -0.667 0.000 1.063 374 D CA 0.075 53.885 54.000 -0.316 0.000 0.847 374 D CB 0.267 40.840 40.800 -0.379 0.000 0.933 374 D HN 0.351 nan 8.370 nan 0.000 0.513 375 W N 0.377 121.567 121.300 -0.183 0.000 2.781 375 W HA 0.590 5.228 4.660 -0.038 0.000 0.345 375 W C -0.422 175.858 176.519 -0.399 0.000 1.085 375 W CA -0.773 56.425 57.345 -0.244 0.000 1.198 375 W CB 1.170 30.542 29.460 -0.148 0.000 1.423 375 W HN -0.362 nan 8.180 nan 0.000 0.532 376 L N 3.079 124.034 121.223 -0.445 0.000 2.323 376 L HA 0.683 5.000 4.340 -0.038 0.000 0.265 376 L C -0.509 175.930 176.870 -0.719 0.000 1.012 376 L CA -1.221 53.129 54.840 -0.817 0.000 0.820 376 L CB 1.738 42.869 42.059 -1.546 0.000 1.334 376 L HN 0.244 nan 8.230 nan 0.000 0.427 377 I N 0.737 120.960 120.570 -0.577 0.000 2.478 377 I HA 0.513 4.660 4.170 -0.038 0.000 0.287 377 I C 0.008 175.999 176.117 -0.211 0.000 1.042 377 I CA -0.450 60.563 61.300 -0.479 0.000 1.067 377 I CB 1.927 39.657 38.000 -0.450 0.000 1.233 377 I HN 0.597 nan 8.210 nan 0.000 0.431 378 G N 3.079 111.880 108.800 0.002 0.000 2.454 378 G HA2 0.887 4.824 3.960 -0.038 0.000 0.329 378 G HA3 0.887 4.824 3.960 -0.038 0.000 0.329 378 G C -0.475 174.442 174.900 0.028 0.000 1.177 378 G CA -0.697 44.473 45.100 0.117 0.000 0.951 378 G HN 0.950 nan 8.290 nan 0.000 0.485 379 G N -0.539 108.289 108.800 0.047 0.000 2.340 379 G HA2 0.425 4.363 3.960 -0.038 0.000 0.299 379 G HA3 0.425 4.363 3.960 -0.038 0.000 0.299 379 G C -1.934 172.963 174.900 -0.005 0.000 1.291 379 G CA -0.782 44.319 45.100 0.001 0.000 0.841 379 G HN 0.494 nan 8.290 nan 0.000 0.500 380 D N 0.618 121.001 120.400 -0.028 0.000 2.280 380 D HA 0.429 5.047 4.640 -0.038 0.000 0.243 380 D C -0.509 175.758 176.300 -0.056 0.000 1.129 380 D CA -0.099 53.878 54.000 -0.037 0.000 0.848 380 D CB 2.450 43.234 40.800 -0.028 0.000 1.107 380 D HN 0.238 nan 8.370 nan 0.000 0.471 381 L N 2.383 123.565 121.223 -0.068 0.000 2.275 381 L HA 0.204 4.521 4.340 -0.038 0.000 0.288 381 L C -0.265 176.562 176.870 -0.070 0.000 1.046 381 L CA -0.191 54.603 54.840 -0.078 0.000 0.805 381 L CB 1.263 43.244 42.059 -0.130 0.000 1.193 381 L HN 0.268 nan 8.230 nan 0.000 0.426 382 Q N 4.438 124.209 119.800 -0.049 0.000 2.348 382 Q HA 0.509 4.826 4.340 -0.038 0.000 0.265 382 Q C -1.644 174.355 176.000 -0.003 0.000 0.998 382 Q CA -0.730 55.059 55.803 -0.022 0.000 0.831 382 Q CB 1.526 30.260 28.738 -0.005 0.000 1.251 382 Q HN 0.566 nan 8.270 nan 0.000 0.456 383 V N 5.667 125.579 119.914 -0.003 0.000 2.509 383 V HA 0.252 4.349 4.120 -0.038 0.000 0.284 383 V C 0.737 176.944 176.094 0.189 0.000 1.047 383 V CA -0.236 62.087 62.300 0.039 0.000 0.952 383 V CB 1.248 32.995 31.823 -0.126 0.000 0.988 383 V HN 0.871 nan 8.190 nan 0.000 0.469 384 L N 1.745 123.069 121.223 0.168 0.000 2.714 384 L HA 0.389 4.706 4.340 -0.038 0.000 0.184 384 L C 0.246 177.193 176.870 0.129 0.000 1.317 384 L CA -0.399 54.519 54.840 0.131 0.000 2.279 384 L CB -0.038 42.074 42.059 0.089 0.000 2.140 384 L HN 0.561 nan 8.230 nan 0.000 1.029 385 D N 0.461 120.910 120.400 0.083 0.000 2.400 385 D HA 0.151 4.768 4.640 -0.038 0.000 0.238 385 D C -0.036 176.282 176.300 0.030 0.000 1.157 385 D CA -0.005 54.015 54.000 0.033 0.000 0.889 385 D CB 0.368 41.189 40.800 0.035 0.000 1.199 385 D HN 0.079 nan 8.370 nan 0.000 0.436 386 R N 1.195 121.623 120.500 -0.120 0.000 2.537 386 R HA 0.177 4.494 4.340 -0.038 0.000 0.280 386 R C -1.097 175.072 176.300 -0.219 0.000 1.058 386 R CA -0.400 55.521 56.100 -0.298 0.000 1.057 386 R CB 0.370 30.395 30.300 -0.459 0.000 0.973 386 R HN 0.221 nan 8.270 nan 0.000 0.438 387 V N 6.266 126.051 119.914 -0.216 0.000 2.439 387 V HA 0.174 4.272 4.120 -0.038 0.000 0.271 387 V C -0.639 175.087 176.094 -0.615 0.000 1.040 387 V CA 0.395 62.501 62.300 -0.324 0.000 1.002 387 V CB -0.168 31.547 31.823 -0.179 0.000 1.000 387 V HN 0.668 nan 8.190 nan 0.000 0.477 388 Y N 2.663 122.771 120.300 -0.320 0.000 2.470 388 Y HA 0.318 4.845 4.550 -0.038 0.000 0.341 388 Y C -0.222 175.523 175.900 -0.258 0.000 1.021 388 Y CA -0.693 57.303 58.100 -0.173 0.000 1.025 388 Y CB 2.021 40.439 38.460 -0.070 0.000 1.266 388 Y HN 0.661 nan 8.280 nan 0.000 0.448 389 W N 1.114 122.567 121.300 0.255 0.000 3.103 389 W HA 0.203 4.842 4.660 -0.036 0.000 0.325 389 W C 0.031 176.632 176.519 0.137 0.000 1.170 389 W CA -0.246 57.205 57.345 0.177 0.000 1.712 389 W CB 0.456 29.996 29.460 0.134 0.000 1.068 389 W HN 0.524 nan 8.180 nan 0.000 0.592 390 N N 1.912 120.777 118.700 0.274 0.000 2.758 390 N HA -0.180 4.537 4.740 -0.038 0.000 0.248 390 N C -0.020 175.575 175.510 0.141 0.000 1.076 390 N CA 1.707 54.846 53.050 0.147 0.000 0.696 390 N CB -1.633 36.919 38.487 0.109 0.000 0.979 390 N HN 0.499 nan 8.380 nan 0.000 0.550 391 D N -2.528 117.967 120.400 0.159 0.000 2.525 391 D HA 0.254 4.872 4.640 -0.038 0.000 0.231 391 D C 1.215 177.558 176.300 0.071 0.000 1.216 391 D CA 0.824 54.894 54.000 0.118 0.000 0.813 391 D CB 0.018 40.905 40.800 0.145 0.000 1.108 391 D HN 0.362 nan 8.370 nan 0.000 0.524 392 G N 0.764 109.610 108.800 0.077 0.000 2.179 392 G HA2 -0.225 3.712 3.960 -0.038 0.000 0.220 392 G HA3 -0.225 3.712 3.960 -0.038 0.000 0.220 392 G C 0.662 175.611 174.900 0.081 0.000 0.990 392 G CA 0.333 45.462 45.100 0.047 0.000 0.646 392 G HN 0.368 nan 8.290 nan 0.000 0.517 393 L N 0.269 121.574 121.223 0.137 0.000 2.966 393 L HA 0.287 4.605 4.340 -0.038 0.000 0.262 393 L C 1.454 178.467 176.870 0.238 0.000 1.165 393 L CA -0.038 54.940 54.840 0.229 0.000 0.978 393 L CB 0.291 42.473 42.059 0.206 0.000 1.337 393 L HN -0.050 nan 8.230 nan 0.000 0.563 394 D N 1.385 121.917 120.400 0.219 0.000 2.357 394 D HA -0.190 4.428 4.640 -0.038 0.000 0.216 394 D C 2.040 178.454 176.300 0.190 0.000 0.973 394 D CA 1.015 55.183 54.000 0.280 0.000 0.912 394 D CB 0.216 41.228 40.800 0.352 0.000 0.900 394 D HN 0.521 nan 8.370 nan 0.000 0.501 395 Q N -0.469 119.347 119.800 0.028 0.000 2.389 395 Q HA -0.130 4.187 4.340 -0.038 0.000 0.204 395 Q C 1.153 177.058 176.000 -0.159 0.000 0.944 395 Q CA 0.778 56.505 55.803 -0.127 0.000 0.908 395 Q CB -0.538 28.018 28.738 -0.304 0.000 1.002 395 Q HN 0.393 nan 8.270 nan 0.000 0.493 396 Y N 1.139 121.492 120.300 0.089 0.000 2.500 396 Y HA 0.277 4.804 4.550 -0.037 0.000 0.270 396 Y C 0.770 176.741 175.900 0.118 0.000 1.134 396 Y CA -0.126 58.021 58.100 0.079 0.000 1.293 396 Y CB 0.544 39.039 38.460 0.058 0.000 1.063 396 Y HN -0.038 nan 8.280 nan 0.000 0.534 397 R N 1.246 121.913 120.500 0.280 0.000 3.235 397 R HA 0.204 4.522 4.340 -0.038 0.000 0.232 397 R C -1.167 175.283 176.300 0.250 0.000 1.475 397 R CA -0.364 55.903 56.100 0.278 0.000 1.405 397 R CB -0.224 30.248 30.300 0.287 0.000 1.266 397 R HN -0.011 nan 8.270 nan 0.000 0.650 398 L N 1.586 122.961 121.223 0.253 0.000 2.349 398 L HA 0.121 4.438 4.340 -0.038 0.000 0.275 398 L C 1.248 178.296 176.870 0.297 0.000 1.115 398 L CA 0.179 55.141 54.840 0.203 0.000 0.820 398 L CB 1.164 43.300 42.059 0.128 0.000 1.135 398 L HN 0.432 nan 8.230 nan 0.000 0.445 399 T N 0.823 115.479 114.554 0.170 0.000 2.802 399 T HA 0.202 4.530 4.350 -0.038 0.000 0.305 399 T C -1.799 172.832 174.700 -0.114 0.000 1.053 399 T CA -1.277 60.866 62.100 0.071 0.000 1.058 399 T CB 0.554 69.429 68.868 0.012 0.000 0.988 399 T HN 0.467 nan 8.240 nan 0.000 0.539 400 P HA -0.066 nan 4.420 nan 0.000 0.218 400 P C 1.586 178.758 177.300 -0.214 0.000 1.148 400 P CA 1.090 63.910 63.100 -0.467 0.000 0.822 400 P CB -0.214 31.058 31.700 -0.714 0.000 0.784 401 T N -0.473 113.979 114.554 -0.171 0.000 2.701 401 T HA -0.146 4.181 4.350 -0.038 0.000 0.263 401 T C 1.631 176.270 174.700 -0.102 0.000 1.040 401 T CA 1.335 63.374 62.100 -0.101 0.000 1.147 401 T CB -0.741 68.087 68.868 -0.067 0.000 0.865 401 T HN 0.295 nan 8.240 nan 0.000 0.426 402 E N 0.607 120.754 120.200 -0.088 0.000 2.118 402 E HA -0.087 4.240 4.350 -0.038 0.000 0.195 402 E C 2.157 178.651 176.600 -0.177 0.000 0.992 402 E CA 0.849 57.197 56.400 -0.086 0.000 0.804 402 E CB -0.263 29.419 29.700 -0.031 0.000 0.741 402 E HN 0.406 nan 8.360 nan 0.000 0.458 403 L N 0.676 121.760 121.223 -0.232 0.000 2.044 403 L HA -0.161 4.156 4.340 -0.038 0.000 0.205 403 L C 2.348 178.718 176.870 -0.834 0.000 1.075 403 L CA 1.102 55.613 54.840 -0.548 0.000 0.747 403 L CB -0.250 41.591 42.059 -0.364 0.000 0.903 403 L HN 0.001 nan 8.230 nan 0.000 0.435 404 K N -0.339 119.861 120.400 -0.334 0.000 2.074 404 K HA -0.292 4.005 4.320 -0.038 0.000 0.209 404 K C 2.162 178.702 176.600 -0.099 0.000 1.048 404 K CA 1.771 58.007 56.287 -0.085 0.000 0.926 404 K CB -0.171 32.334 32.500 0.008 0.000 0.713 404 K HN 0.130 nan 8.250 nan 0.000 0.444 405 Q N 1.759 121.481 119.800 -0.129 0.000 2.020 405 Q HA -0.202 4.116 4.340 -0.038 0.000 0.202 405 Q C 1.892 177.834 176.000 -0.097 0.000 0.982 405 Q CA 1.864 57.620 55.803 -0.079 0.000 0.838 405 Q CB -0.179 28.518 28.738 -0.069 0.000 0.899 405 Q HN 0.020 nan 8.270 nan 0.000 0.423 406 K N -0.529 119.748 120.400 -0.205 0.000 2.074 406 K HA -0.151 4.147 4.320 -0.038 0.000 0.209 406 K C 1.590 178.131 176.600 -0.098 0.000 1.048 406 K CA 1.691 57.858 56.287 -0.200 0.000 0.926 406 K CB -0.499 31.824 32.500 -0.295 0.000 0.713 406 K HN 0.264 nan 8.250 nan 0.000 0.444 407 F N 0.989 120.956 119.950 0.028 0.000 2.259 407 F HA 0.032 4.536 4.527 -0.038 0.000 0.298 407 F C 2.147 177.964 175.800 0.028 0.000 1.088 407 F CA 1.311 59.329 58.000 0.030 0.000 1.358 407 F CB -0.721 38.297 39.000 0.031 0.000 1.040 407 F HN 0.154 nan 8.300 nan 0.000 0.505 408 K N 0.541 121.045 120.400 0.172 0.000 2.031 408 K HA -0.148 4.149 4.320 -0.038 0.000 0.205 408 K C 1.445 178.093 176.600 0.080 0.000 1.049 408 K CA 1.812 58.168 56.287 0.114 0.000 0.939 408 K CB -0.392 32.154 32.500 0.078 0.000 0.717 408 K HN -0.015 nan 8.250 nan 0.000 0.438 409 D N 1.022 121.454 120.400 0.054 0.000 2.190 409 D HA -0.172 4.445 4.640 -0.038 0.000 0.200 409 D C 1.696 178.029 176.300 0.055 0.000 0.992 409 D CA 1.489 55.512 54.000 0.039 0.000 0.854 409 D CB -0.062 40.748 40.800 0.017 0.000 0.936 409 D HN 0.395 nan 8.370 nan 0.000 0.462 410 M N -0.631 119.020 119.600 0.084 0.000 2.561 410 M HA 0.035 4.493 4.480 -0.038 0.000 0.238 410 M C 0.287 176.642 176.300 0.091 0.000 1.131 410 M CA 0.016 55.372 55.300 0.093 0.000 1.046 410 M CB -0.104 32.576 32.600 0.134 0.000 1.532 410 M HN -0.026 nan 8.290 nan 0.000 0.497 411 N N 1.547 120.300 118.700 0.090 0.000 2.727 411 N HA -0.148 4.570 4.740 -0.038 0.000 0.249 411 N C -0.417 175.144 175.510 0.085 0.000 1.048 411 N CA -0.049 53.050 53.050 0.080 0.000 0.714 411 N CB -0.080 38.443 38.487 0.059 0.000 0.959 411 N HN 0.456 nan 8.380 nan 0.000 0.544 412 A N 0.885 123.768 122.820 0.105 0.000 2.407 412 A HA 0.158 4.456 4.320 -0.038 0.000 0.248 412 A C 0.991 178.619 177.584 0.074 0.000 1.082 412 A CA 0.384 52.466 52.037 0.074 0.000 0.785 412 A CB 0.322 19.344 19.000 0.037 0.000 1.020 412 A HN 0.538 nan 8.150 nan 0.000 0.489 413 D N -0.389 120.062 120.400 0.086 0.000 2.431 413 D HA 0.460 5.077 4.640 -0.038 0.000 0.213 413 D C -0.021 176.375 176.300 0.161 0.000 1.130 413 D CA 0.715 54.808 54.000 0.155 0.000 0.834 413 D CB 0.180 41.110 40.800 0.217 0.000 0.985 413 D HN 0.796 nan 8.370 nan 0.000 0.504 414 A N -0.259 122.548 122.820 -0.023 0.000 2.582 414 A HA 0.562 4.859 4.320 -0.038 0.000 0.297 414 A C -1.758 175.714 177.584 -0.188 0.000 1.059 414 A CA -0.724 51.205 52.037 -0.179 0.000 0.705 414 A CB 1.619 20.275 19.000 -0.573 0.000 1.279 414 A HN 0.006 nan 8.150 nan 0.000 0.404 415 V N 2.323 122.129 119.914 -0.180 0.000 2.444 415 V HA 0.653 4.750 4.120 -0.038 0.000 0.294 415 V C 0.216 176.254 176.094 -0.093 0.000 1.022 415 V CA -0.275 61.840 62.300 -0.309 0.000 0.850 415 V CB 1.713 33.118 31.823 -0.696 0.000 0.992 415 V HN 1.149 nan 8.190 nan 0.000 0.426 416 S N 3.527 119.185 115.700 -0.069 0.000 2.525 416 S HA 0.904 5.351 4.470 -0.038 0.000 0.290 416 S C -0.175 174.431 174.600 0.009 0.000 1.152 416 S CA -0.514 57.708 58.200 0.037 0.000 1.072 416 S CB 2.009 65.225 63.200 0.027 0.000 1.027 416 S HN 1.174 nan 8.310 nan 0.000 0.500 417 A N 1.948 124.787 122.820 0.033 0.000 2.340 417 A HA 0.798 5.095 4.320 -0.038 0.000 0.331 417 A C -1.234 176.321 177.584 -0.049 0.000 1.140 417 A CA -0.667 51.381 52.037 0.019 0.000 0.801 417 A CB 0.640 19.675 19.000 0.058 0.000 1.234 417 A HN 0.882 nan 8.150 nan 0.000 0.469 418 F N 1.922 121.768 119.950 -0.174 0.000 2.532 418 F HA 0.440 4.943 4.527 -0.039 0.000 0.365 418 F C 0.163 175.824 175.800 -0.232 0.000 1.112 418 F CA -0.542 57.310 58.000 -0.247 0.000 1.082 418 F CB 1.538 40.423 39.000 -0.192 0.000 1.319 418 F HN 0.724 nan 8.300 nan 0.000 0.457 419 Q N 5.032 124.439 119.800 -0.656 0.000 2.373 419 Q HA 0.616 4.934 4.340 -0.038 0.000 0.255 419 Q C -1.771 173.802 176.000 -0.712 0.000 0.980 419 Q CA 0.100 55.550 55.803 -0.588 0.000 0.882 419 Q CB 1.082 29.494 28.738 -0.544 0.000 1.249 419 Q HN 0.567 nan 8.270 nan 0.000 0.438 420 L N 0.561 121.515 121.223 -0.448 0.000 2.710 420 L HA 0.539 4.857 4.340 -0.038 0.000 0.260 420 L C -0.426 176.320 176.870 -0.206 0.000 0.993 420 L CA -0.637 53.990 54.840 -0.356 0.000 0.877 420 L CB 1.197 43.084 42.059 -0.287 0.000 1.461 420 L HN 0.874 nan 8.230 nan 0.000 0.413 421 R N -0.833 119.582 120.500 -0.141 0.000 2.541 421 R HA 0.477 4.794 4.340 -0.038 0.000 0.332 421 R C -0.570 175.724 176.300 -0.010 0.000 0.951 421 R CA -0.393 55.672 56.100 -0.059 0.000 1.136 421 R CB 0.271 30.551 30.300 -0.034 0.000 1.449 421 R HN 0.745 nan 8.270 nan 0.000 0.531 422 N N 1.252 119.933 118.700 -0.031 0.000 2.402 422 N HA 0.438 5.155 4.740 -0.038 0.000 0.294 422 N C -2.856 172.681 175.510 0.045 0.000 1.203 422 N CA -2.193 50.865 53.050 0.013 0.000 0.838 422 N CB 1.944 40.451 38.487 0.032 0.000 1.306 422 N HN -0.135 nan 8.380 nan 0.000 0.510 423 P HA -0.014 nan 4.420 nan 0.000 0.267 423 P C -0.845 176.512 177.300 0.094 0.000 1.200 423 P CA -0.020 63.186 63.100 0.177 0.000 0.772 423 P CB 0.504 32.297 31.700 0.154 0.000 0.855 424 V N 4.213 124.156 119.914 0.050 0.000 2.488 424 V HA 0.208 4.306 4.120 -0.038 0.000 0.277 424 V C 0.613 176.756 176.094 0.082 0.000 1.046 424 V CA 0.048 62.367 62.300 0.033 0.000 0.986 424 V CB -0.171 31.559 31.823 -0.155 0.000 0.989 424 V HN 0.728 nan 8.190 nan 0.000 0.475 425 H N 3.216 122.323 119.070 0.062 0.000 2.754 425 H HA 0.551 5.083 4.556 -0.039 0.000 0.352 425 H C 0.151 175.256 175.328 -0.373 0.000 1.213 425 H CA -1.664 54.160 56.048 -0.372 0.000 1.244 425 H CB 0.533 29.788 29.762 -0.844 0.000 1.843 425 H HN 0.261 nan 8.280 nan 0.000 0.587 426 N N -0.502 118.088 118.700 -0.183 0.000 2.336 426 N HA 0.081 4.798 4.740 -0.038 0.000 0.189 426 N C 1.665 177.080 175.510 -0.158 0.000 1.113 426 N CA 0.763 53.722 53.050 -0.152 0.000 0.858 426 N CB 0.108 38.513 38.487 -0.137 0.000 0.970 426 N HN 0.857 nan 8.380 nan 0.000 0.471 427 G N 0.544 109.259 108.800 -0.142 0.000 2.394 427 G HA2 -0.196 3.741 3.960 -0.038 0.000 0.214 427 G HA3 -0.196 3.741 3.960 -0.038 0.000 0.214 427 G C 1.216 176.051 174.900 -0.109 0.000 1.176 427 G CA 0.495 45.501 45.100 -0.156 0.000 0.786 427 G HN 0.348 nan 8.290 nan 0.000 0.533 428 H N 1.265 120.384 119.070 0.081 0.000 2.290 428 H HA -0.043 4.490 4.556 -0.039 0.000 0.298 428 H C 2.977 178.016 175.328 -0.481 0.000 1.087 428 H CA 1.343 57.265 56.048 -0.210 0.000 1.291 428 H CB -0.974 28.615 29.762 -0.289 0.000 1.369 428 H HN 0.365 nan 8.280 nan 0.000 0.492 429 A N 1.338 124.023 122.820 -0.225 0.000 1.940 429 A HA -0.152 4.146 4.320 -0.038 0.000 0.219 429 A C 2.593 180.007 177.584 -0.284 0.000 1.176 429 A CA 1.603 53.470 52.037 -0.284 0.000 0.631 429 A CB -0.877 18.009 19.000 -0.190 0.000 0.814 429 A HN 0.308 nan 8.150 nan 0.000 0.446 430 L N -0.919 120.154 121.223 -0.251 0.000 2.046 430 L HA -0.131 4.186 4.340 -0.038 0.000 0.208 430 L C 2.136 178.814 176.870 -0.320 0.000 1.077 430 L CA 1.691 56.376 54.840 -0.258 0.000 0.747 430 L CB -0.504 41.373 42.059 -0.303 0.000 0.896 430 L HN 0.257 nan 8.230 nan 0.000 0.432 431 L N -0.904 120.070 121.223 -0.415 0.000 2.046 431 L HA -0.200 4.118 4.340 -0.038 0.000 0.208 431 L C 2.478 179.043 176.870 -0.507 0.000 1.077 431 L CA 2.074 56.485 54.840 -0.715 0.000 0.747 431 L CB -0.828 40.895 42.059 -0.561 0.000 0.896 431 L HN 0.313 nan 8.230 nan 0.000 0.432 432 M N -1.736 117.591 119.600 -0.455 0.000 2.117 432 M HA -0.252 4.206 4.480 -0.038 0.000 0.262 432 M C 2.276 178.467 176.300 -0.180 0.000 1.065 432 M CA 1.610 56.712 55.300 -0.331 0.000 1.114 432 M CB -0.533 31.797 32.600 -0.451 0.000 1.361 432 M HN 0.249 nan 8.290 nan 0.000 0.408 433 Q N 0.369 120.053 119.800 -0.194 0.000 2.084 433 Q HA -0.173 4.144 4.340 -0.038 0.000 0.202 433 Q C 1.516 177.499 176.000 -0.030 0.000 0.978 433 Q CA 1.338 57.070 55.803 -0.119 0.000 0.844 433 Q CB -0.087 28.568 28.738 -0.137 0.000 0.898 433 Q HN 0.419 nan 8.270 nan 0.000 0.426 434 D N -0.742 119.636 120.400 -0.038 0.000 2.224 434 D HA -0.065 4.552 4.640 -0.038 0.000 0.205 434 D C 1.581 177.975 176.300 0.157 0.000 0.965 434 D CA 0.981 55.033 54.000 0.085 0.000 0.852 434 D CB 0.037 40.942 40.800 0.175 0.000 0.947 434 D HN 0.141 nan 8.370 nan 0.000 0.494 435 T N -1.225 113.406 114.554 0.129 0.000 2.812 435 T HA -0.133 4.195 4.350 -0.038 0.000 0.264 435 T C 1.688 176.400 174.700 0.019 0.000 1.042 435 T CA 1.098 63.280 62.100 0.137 0.000 1.140 435 T CB -0.339 68.608 68.868 0.133 0.000 0.870 435 T HN 0.341 nan 8.240 nan 0.000 0.445 436 H N 0.929 119.957 119.070 -0.071 0.000 2.387 436 H HA -0.068 4.466 4.556 -0.037 0.000 0.299 436 H C 2.253 177.545 175.328 -0.060 0.000 1.099 436 H CA 1.576 57.572 56.048 -0.085 0.000 1.315 436 H CB 0.122 29.837 29.762 -0.078 0.000 1.380 436 H HN 0.098 nan 8.280 nan 0.000 0.513 437 K N 0.243 120.722 120.400 0.133 0.000 2.001 437 K HA -0.120 4.177 4.320 -0.038 0.000 0.208 437 K C 2.448 179.055 176.600 0.012 0.000 1.048 437 K CA 1.765 58.101 56.287 0.082 0.000 0.932 437 K CB -0.090 32.459 32.500 0.082 0.000 0.715 437 K HN 0.427 nan 8.250 nan 0.000 0.437 438 Q N 0.026 119.830 119.800 0.007 0.000 2.152 438 Q HA -0.162 4.155 4.340 -0.038 0.000 0.206 438 Q C 2.014 177.964 176.000 -0.083 0.000 0.985 438 Q CA 1.398 57.185 55.803 -0.025 0.000 0.863 438 Q CB -0.144 28.582 28.738 -0.019 0.000 0.904 438 Q HN 0.284 nan 8.270 nan 0.000 0.422 439 L N -0.043 121.072 121.223 -0.179 0.000 2.072 439 L HA -0.162 4.155 4.340 -0.038 0.000 0.205 439 L C 2.281 179.134 176.870 -0.028 0.000 1.079 439 L CA 0.668 55.385 54.840 -0.206 0.000 0.752 439 L CB -0.410 41.369 42.059 -0.467 0.000 0.906 439 L HN 0.268 nan 8.230 nan 0.000 0.436 440 L N 0.059 121.215 121.223 -0.112 0.000 1.990 440 L HA -0.259 4.058 4.340 -0.038 0.000 0.213 440 L C 2.649 179.508 176.870 -0.020 0.000 1.072 440 L CA 1.628 56.432 54.840 -0.060 0.000 0.755 440 L CB -0.464 41.566 42.059 -0.049 0.000 0.889 440 L HN 0.294 nan 8.230 nan 0.000 0.432 441 E N 0.341 120.533 120.200 -0.013 0.000 2.204 441 E HA -0.202 4.125 4.350 -0.038 0.000 0.194 441 E C 2.187 178.782 176.600 -0.008 0.000 0.989 441 E CA 1.164 57.560 56.400 -0.006 0.000 0.824 441 E CB -0.002 29.698 29.700 0.001 0.000 0.756 441 E HN 0.219 nan 8.360 nan 0.000 0.477 442 R N -1.520 118.985 120.500 0.009 0.000 2.148 442 R HA 0.069 4.386 4.340 -0.038 0.000 0.223 442 R C 1.278 177.524 176.300 -0.089 0.000 1.088 442 R CA 1.011 57.115 56.100 0.006 0.000 0.985 442 R CB 0.151 30.521 30.300 0.116 0.000 0.880 442 R HN 0.387 nan 8.270 nan 0.000 0.451 443 G N -1.723 107.018 108.800 -0.098 0.000 2.551 443 G HA2 -0.197 3.740 3.960 -0.038 0.000 0.186 443 G HA3 -0.197 3.740 3.960 -0.038 0.000 0.186 443 G C -0.270 174.509 174.900 -0.202 0.000 1.002 443 G CA -0.654 44.340 45.100 -0.177 0.000 0.723 443 G HN 0.152 nan 8.290 nan 0.000 0.481 444 Y N 1.164 121.422 120.300 -0.070 0.000 2.550 444 Y HA 0.481 5.009 4.550 -0.037 0.000 0.343 444 Y C 1.975 177.825 175.900 -0.083 0.000 1.245 444 Y CA 0.472 58.529 58.100 -0.072 0.000 1.462 444 Y CB 0.523 38.926 38.460 -0.095 0.000 1.340 444 Y HN 0.008 nan 8.280 nan 0.000 0.604 445 R N 0.782 121.323 120.500 0.069 0.000 2.513 445 R HA 0.209 4.526 4.340 -0.038 0.000 0.245 445 R C -0.129 176.187 176.300 0.026 0.000 0.908 445 R CA 0.019 56.133 56.100 0.022 0.000 1.023 445 R CB 0.632 30.939 30.300 0.012 0.000 1.338 445 R HN 0.627 nan 8.270 nan 0.000 0.575 446 R N 1.831 122.356 120.500 0.042 0.000 2.738 446 R HA 0.242 4.559 4.340 -0.038 0.000 0.280 446 R C -2.588 173.712 176.300 0.000 0.000 1.456 446 R CA -1.359 54.760 56.100 0.032 0.000 1.612 446 R CB 1.333 31.663 30.300 0.050 0.000 1.286 446 R HN -0.007 nan 8.270 nan 0.000 0.660 447 P HA 0.002 nan 4.420 nan 0.000 0.267 447 P C -0.219 177.048 177.300 -0.054 0.000 1.205 447 P CA 0.164 63.172 63.100 -0.153 0.000 0.765 447 P CB 1.560 33.047 31.700 -0.355 0.000 0.828 448 V N 4.859 124.732 119.914 -0.069 0.000 2.628 448 V HA 0.279 4.376 4.120 -0.038 0.000 0.306 448 V C 0.234 176.292 176.094 -0.061 0.000 1.045 448 V CA -0.890 61.398 62.300 -0.021 0.000 0.905 448 V CB 1.965 33.785 31.823 -0.005 0.000 0.997 448 V HN 0.407 nan 8.190 nan 0.000 0.436 449 L N 5.163 126.393 121.223 0.012 0.000 2.282 449 L HA 0.604 4.921 4.340 -0.038 0.000 0.288 449 L C -0.716 176.176 176.870 0.036 0.000 1.033 449 L CA -0.274 54.570 54.840 0.008 0.000 0.807 449 L CB 1.277 43.344 42.059 0.014 0.000 1.209 449 L HN 0.619 nan 8.230 nan 0.000 0.423 450 L N 6.284 127.526 121.223 0.031 0.000 2.262 450 L HA 0.501 4.819 4.340 -0.038 0.000 0.288 450 L C -1.139 175.776 176.870 0.074 0.000 1.035 450 L CA -0.263 54.636 54.840 0.097 0.000 0.820 450 L CB 1.166 43.325 42.059 0.167 0.000 1.204 450 L HN 0.680 nan 8.230 nan 0.000 0.424 451 L N 5.572 126.820 121.223 0.042 0.000 2.265 451 L HA 0.415 4.732 4.340 -0.038 0.000 0.289 451 L C -0.873 176.023 176.870 0.043 0.000 1.033 451 L CA 0.264 55.133 54.840 0.048 0.000 0.814 451 L CB 0.579 42.633 42.059 -0.007 0.000 1.203 451 L HN 0.747 nan 8.230 nan 0.000 0.423 452 H N 5.838 124.915 119.070 0.011 0.000 2.336 452 H HA 0.396 4.929 4.556 -0.038 0.000 0.230 452 H C -2.474 172.808 175.328 -0.075 0.000 1.426 452 H CA -2.119 53.914 56.048 -0.024 0.000 1.359 452 H CB 0.681 30.391 29.762 -0.086 0.000 1.555 452 H HN 0.540 nan 8.280 nan 0.000 0.512 453 P HA -0.058 nan 4.420 nan 0.000 0.268 453 P C -0.029 177.314 177.300 0.072 0.000 1.205 453 P CA -0.124 63.028 63.100 0.087 0.000 0.771 453 P CB 1.864 33.668 31.700 0.173 0.000 0.858 454 L N 2.394 123.608 121.223 -0.015 0.000 2.371 454 L HA 0.497 4.814 4.340 -0.038 0.000 0.272 454 L C 1.108 177.939 176.870 -0.065 0.000 1.124 454 L CA 0.327 55.158 54.840 -0.014 0.000 0.816 454 L CB 0.551 42.581 42.059 -0.049 0.000 1.129 454 L HN 0.558 nan 8.230 nan 0.000 0.448 455 G N 2.853 111.582 108.800 -0.118 0.000 3.528 455 G HA2 0.287 4.224 3.960 -0.038 0.000 0.266 455 G HA3 0.287 4.224 3.960 -0.038 0.000 0.266 455 G C 0.282 175.044 174.900 -0.231 0.000 1.004 455 G CA 0.338 45.342 45.100 -0.160 0.000 0.853 455 G HN 0.890 nan 8.290 nan 0.000 0.501 456 G N -0.496 108.165 108.800 -0.232 0.000 2.508 456 G HA2 0.380 4.317 3.960 -0.038 0.000 0.278 456 G HA3 0.380 4.317 3.960 -0.038 0.000 0.278 456 G C -0.292 174.558 174.900 -0.083 0.000 1.389 456 G CA -1.132 43.827 45.100 -0.235 0.000 1.050 456 G HN 0.238 nan 8.290 nan 0.000 0.522 457 W N 1.135 122.327 121.300 -0.181 0.000 2.377 457 W HA 0.354 4.993 4.660 -0.034 0.000 0.341 457 W C 0.565 177.115 176.519 0.052 0.000 1.240 457 W CA 0.962 58.279 57.345 -0.048 0.000 1.311 457 W CB 0.413 29.880 29.460 0.011 0.000 1.175 457 W HN 0.643 nan 8.180 nan 0.000 0.571 458 T N 2.747 116.802 114.554 -0.831 0.000 2.883 458 T HA 0.451 4.779 4.350 -0.038 0.000 0.301 458 T C -0.648 173.263 174.700 -1.316 0.000 1.158 458 T CA -1.409 60.292 62.100 -0.664 0.000 1.007 458 T CB 1.643 70.365 68.868 -0.242 0.000 1.186 458 T HN 0.595 nan 8.240 nan 0.000 0.499 459 K N 0.738 120.722 120.400 -0.693 0.000 2.138 459 K HA 0.343 4.640 4.320 -0.038 0.000 0.251 459 K C -0.087 176.297 176.600 -0.359 0.000 1.015 459 K CA -0.560 55.355 56.287 -0.621 0.000 0.917 459 K CB 0.374 32.600 32.500 -0.456 0.000 1.021 459 K HN 0.326 nan 8.250 nan 0.000 0.485 460 D N 1.189 121.464 120.400 -0.208 0.000 2.133 460 D HA -0.186 4.431 4.640 -0.038 0.000 0.195 460 D C 1.036 177.298 176.300 -0.064 0.000 0.997 460 D CA 1.769 55.707 54.000 -0.104 0.000 0.840 460 D CB -0.217 40.560 40.800 -0.038 0.000 0.947 460 D HN 0.785 nan 8.370 nan 0.000 0.452 461 D N -0.136 120.229 120.400 -0.058 0.000 2.328 461 D HA -0.023 4.594 4.640 -0.038 0.000 0.221 461 D C -0.131 176.180 176.300 0.018 0.000 1.072 461 D CA -0.206 53.794 54.000 0.000 0.000 0.850 461 D CB -0.230 40.574 40.800 0.006 0.000 0.922 461 D HN -0.039 nan 8.370 nan 0.000 0.516 462 D N 0.284 120.664 120.400 -0.033 0.000 2.344 462 D HA 0.102 4.720 4.640 -0.038 0.000 0.244 462 D C 0.182 176.453 176.300 -0.047 0.000 1.134 462 D CA -0.545 53.447 54.000 -0.014 0.000 0.930 462 D CB 1.615 42.401 40.800 -0.024 0.000 1.175 462 D HN -0.184 nan 8.370 nan 0.000 0.437 463 V N 3.501 123.344 119.914 -0.118 0.000 2.458 463 V HA 0.080 4.178 4.120 -0.038 0.000 0.287 463 V C -1.868 174.061 176.094 -0.275 0.000 1.009 463 V CA -1.008 61.063 62.300 -0.380 0.000 1.091 463 V CB 0.067 31.621 31.823 -0.448 0.000 0.960 463 V HN 0.457 nan 8.190 nan 0.000 0.476 464 P HA -0.026 nan 4.420 nan 0.000 0.266 464 P C 0.761 177.997 177.300 -0.108 0.000 1.193 464 P CA -0.245 62.807 63.100 -0.079 0.000 0.770 464 P CB 0.535 32.290 31.700 0.092 0.000 0.836 465 L N 3.473 124.619 121.223 -0.128 0.000 2.013 465 L HA -0.226 4.092 4.340 -0.038 0.000 0.212 465 L C 2.091 178.842 176.870 -0.199 0.000 1.073 465 L CA 2.252 56.997 54.840 -0.159 0.000 0.753 465 L CB -1.336 40.630 42.059 -0.155 0.000 0.890 465 L HN 0.343 nan 8.230 nan 0.000 0.432 466 M N -1.073 118.401 119.600 -0.209 0.000 2.073 466 M HA -0.255 4.203 4.480 -0.038 0.000 0.258 466 M C 2.080 178.149 176.300 -0.386 0.000 1.070 466 M CA 2.048 57.161 55.300 -0.313 0.000 1.103 466 M CB -1.061 31.315 32.600 -0.374 0.000 1.321 466 M HN 0.372 nan 8.290 nan 0.000 0.405 467 W N 0.160 121.318 121.300 -0.236 0.000 2.318 467 W HA -0.240 4.409 4.660 -0.018 0.000 0.313 467 W C 2.619 178.927 176.519 -0.353 0.000 1.221 467 W CA 1.793 58.956 57.345 -0.302 0.000 1.266 467 W CB -0.505 28.669 29.460 -0.476 0.000 1.150 467 W HN 0.199 nan 8.180 nan 0.000 0.496 468 R N -0.976 119.408 120.500 -0.194 0.000 2.092 468 R HA -0.153 4.164 4.340 -0.038 0.000 0.231 468 R C 2.225 178.071 176.300 -0.757 0.000 1.119 468 R CA 1.357 57.220 56.100 -0.396 0.000 0.970 468 R CB -0.506 29.601 30.300 -0.322 0.000 0.864 468 R HN 0.133 nan 8.270 nan 0.000 0.440 469 M N 0.804 120.063 119.600 -0.569 0.000 2.086 469 M HA -0.160 4.297 4.480 -0.038 0.000 0.261 469 M C 1.912 177.988 176.300 -0.373 0.000 1.067 469 M CA 1.699 56.658 55.300 -0.569 0.000 1.116 469 M CB -0.750 31.587 32.600 -0.438 0.000 1.348 469 M HN 0.012 nan 8.290 nan 0.000 0.407 470 K N -0.304 119.939 120.400 -0.262 0.000 2.103 470 K HA -0.196 4.101 4.320 -0.038 0.000 0.207 470 K C 2.176 178.731 176.600 -0.075 0.000 1.048 470 K CA 1.089 57.294 56.287 -0.136 0.000 0.930 470 K CB -0.169 32.252 32.500 -0.131 0.000 0.716 470 K HN 0.342 nan 8.250 nan 0.000 0.444 471 Q N 0.340 120.077 119.800 -0.105 0.000 2.079 471 Q HA -0.163 4.154 4.340 -0.038 0.000 0.200 471 Q C 1.785 177.821 176.000 0.060 0.000 0.974 471 Q CA 1.582 57.380 55.803 -0.008 0.000 0.840 471 Q CB 0.072 28.819 28.738 0.015 0.000 0.898 471 Q HN 0.509 nan 8.270 nan 0.000 0.430 472 H N -0.194 118.846 119.070 -0.050 0.000 2.428 472 H HA 0.093 4.627 4.556 -0.038 0.000 0.296 472 H C 1.947 177.247 175.328 -0.047 0.000 1.062 472 H CA 1.027 57.041 56.048 -0.056 0.000 1.350 472 H CB -0.663 29.046 29.762 -0.088 0.000 1.403 472 H HN 0.347 nan 8.280 nan 0.000 0.533 473 A N 1.544 124.375 122.820 0.018 0.000 1.917 473 A HA -0.165 4.133 4.320 -0.038 0.000 0.219 473 A C 2.702 180.309 177.584 0.038 0.000 1.182 473 A CA 2.161 54.211 52.037 0.021 0.000 0.633 473 A CB -0.988 18.015 19.000 0.006 0.000 0.819 473 A HN 0.459 nan 8.150 nan 0.000 0.448 474 A N -0.714 122.130 122.820 0.041 0.000 1.902 474 A HA -0.009 4.289 4.320 -0.038 0.000 0.217 474 A C 2.192 179.809 177.584 0.055 0.000 1.181 474 A CA 1.804 53.873 52.037 0.053 0.000 0.623 474 A CB -0.905 18.135 19.000 0.068 0.000 0.818 474 A HN 0.455 nan 8.150 nan 0.000 0.443 475 V N -0.052 119.899 119.914 0.063 0.000 2.626 475 V HA -0.200 3.897 4.120 -0.038 0.000 0.252 475 V C 2.445 178.548 176.094 0.015 0.000 1.067 475 V CA 1.623 63.947 62.300 0.040 0.000 1.081 475 V CB -0.607 31.237 31.823 0.034 0.000 0.686 475 V HN 0.541 nan 8.190 nan 0.000 0.468 476 L N -0.322 120.915 121.223 0.023 0.000 2.095 476 L HA -0.097 4.220 4.340 -0.038 0.000 0.204 476 L C 2.596 179.475 176.870 0.015 0.000 1.080 476 L CA 1.561 56.408 54.840 0.012 0.000 0.759 476 L CB -0.473 41.601 42.059 0.026 0.000 0.914 476 L HN 0.397 nan 8.230 nan 0.000 0.439 477 E N 0.465 120.681 120.200 0.026 0.000 2.130 477 E HA -0.248 4.079 4.350 -0.038 0.000 0.196 477 E C 1.554 178.166 176.600 0.020 0.000 0.998 477 E CA 1.209 57.624 56.400 0.025 0.000 0.806 477 E CB 0.181 29.900 29.700 0.032 0.000 0.738 477 E HN 0.405 nan 8.360 nan 0.000 0.459 478 E N -0.700 119.513 120.200 0.020 0.000 2.511 478 E HA -0.016 4.311 4.350 -0.038 0.000 0.196 478 E C 1.085 177.685 176.600 -0.001 0.000 1.066 478 E CA 0.673 57.082 56.400 0.015 0.000 0.871 478 E CB 0.364 30.076 29.700 0.022 0.000 0.863 478 E HN 0.488 nan 8.360 nan 0.000 0.520 479 G N 1.367 110.162 108.800 -0.008 0.000 2.179 479 G HA2 -0.309 3.629 3.960 -0.038 0.000 0.257 479 G HA3 -0.309 3.629 3.960 -0.038 0.000 0.257 479 G C 1.093 175.967 174.900 -0.043 0.000 1.010 479 G CA 0.513 45.598 45.100 -0.025 0.000 0.736 479 G HN 0.284 nan 8.290 nan 0.000 0.513 480 V N -0.470 119.418 119.914 -0.043 0.000 2.548 480 V HA 0.150 4.247 4.120 -0.038 0.000 0.249 480 V C 1.607 177.641 176.094 -0.101 0.000 1.055 480 V CA 1.773 64.033 62.300 -0.066 0.000 1.065 480 V CB -0.124 31.663 31.823 -0.059 0.000 0.681 480 V HN 0.451 nan 8.190 nan 0.000 0.462 481 L N 0.533 121.702 121.223 -0.092 0.000 2.346 481 L HA 0.456 4.773 4.340 -0.038 0.000 0.276 481 L C -0.171 176.652 176.870 -0.077 0.000 1.006 481 L CA -0.576 54.199 54.840 -0.108 0.000 0.817 481 L CB 1.423 43.417 42.059 -0.108 0.000 1.272 481 L HN 0.054 nan 8.230 nan 0.000 0.421 482 N N 4.487 123.132 118.700 -0.093 0.000 2.405 482 N HA 0.117 4.835 4.740 -0.038 0.000 0.260 482 N C -1.696 173.801 175.510 -0.022 0.000 1.152 482 N CA -1.737 51.277 53.050 -0.060 0.000 0.948 482 N CB 1.223 39.659 38.487 -0.086 0.000 1.111 482 N HN 0.303 nan 8.380 nan 0.000 0.485 483 P HA -0.104 nan 4.420 nan 0.000 0.222 483 P C 0.489 177.808 177.300 0.032 0.000 1.147 483 P CA 1.081 64.193 63.100 0.021 0.000 0.790 483 P CB 0.515 32.231 31.700 0.027 0.000 0.780 484 E N -0.547 119.669 120.200 0.026 0.000 2.299 484 E HA -0.024 4.303 4.350 -0.038 0.000 0.193 484 E C 1.127 177.759 176.600 0.053 0.000 0.998 484 E CA 1.271 57.693 56.400 0.037 0.000 0.851 484 E CB -0.232 29.486 29.700 0.030 0.000 0.795 484 E HN 0.372 nan 8.360 nan 0.000 0.492 485 T N -1.666 112.919 114.554 0.051 0.000 3.266 485 T HA 0.255 4.583 4.350 -0.038 0.000 0.278 485 T C 0.123 174.867 174.700 0.073 0.000 1.010 485 T CA -0.453 61.693 62.100 0.076 0.000 0.909 485 T CB 0.343 69.275 68.868 0.106 0.000 1.122 485 T HN -0.266 nan 8.240 nan 0.000 0.536 486 T N 1.428 116.024 114.554 0.069 0.000 2.991 486 T HA 0.538 4.866 4.350 -0.038 0.000 0.303 486 T C -0.745 174.013 174.700 0.097 0.000 1.015 486 T CA -0.471 61.668 62.100 0.066 0.000 1.007 486 T CB 1.994 70.876 68.868 0.023 0.000 1.034 486 T HN 0.122 nan 8.240 nan 0.000 0.446 487 V N 3.638 123.633 119.914 0.136 0.000 2.472 487 V HA 0.565 4.662 4.120 -0.038 0.000 0.290 487 V C -0.198 175.952 176.094 0.094 0.000 1.037 487 V CA -0.614 61.771 62.300 0.142 0.000 0.908 487 V CB 1.877 33.839 31.823 0.233 0.000 0.985 487 V HN 0.688 nan 8.190 nan 0.000 0.454 488 V N 4.244 124.219 119.914 0.102 0.000 2.378 488 V HA 0.885 4.982 4.120 -0.038 0.000 0.288 488 V C 0.181 176.342 176.094 0.111 0.000 1.016 488 V CA -0.129 62.216 62.300 0.074 0.000 0.840 488 V CB 1.226 33.088 31.823 0.065 0.000 0.994 488 V HN 1.068 nan 8.190 nan 0.000 0.431 489 A N 5.515 128.334 122.820 -0.003 0.000 2.594 489 A HA 0.911 5.209 4.320 -0.038 0.000 0.291 489 A C -1.232 176.412 177.584 0.100 0.000 1.105 489 A CA -0.628 51.448 52.037 0.065 0.000 0.694 489 A CB 1.530 20.529 19.000 -0.002 0.000 1.291 489 A HN 0.669 nan 8.150 nan 0.000 0.410 490 I N 1.071 121.777 120.570 0.226 0.000 2.354 490 I HA 0.311 4.458 4.170 -0.038 0.000 0.292 490 I C -0.908 175.393 176.117 0.307 0.000 0.989 490 I CA -0.344 61.096 61.300 0.234 0.000 1.188 490 I CB 1.427 39.508 38.000 0.136 0.000 1.342 490 I HN 0.636 nan 8.210 nan 0.000 0.457 491 F N 10.027 129.977 119.950 -0.001 0.000 2.444 491 F HA 0.400 4.904 4.527 -0.039 0.000 0.360 491 F C -1.641 173.933 175.800 -0.376 0.000 1.106 491 F CA -2.503 55.221 58.000 -0.460 0.000 1.170 491 F CB 0.847 39.360 39.000 -0.811 0.000 1.113 491 F HN 0.311 nan 8.300 nan 0.000 0.521 492 P HA -0.053 nan 4.420 nan 0.000 0.245 492 P C 0.258 177.160 177.300 -0.663 0.000 1.212 492 P CA 0.342 63.151 63.100 -0.484 0.000 0.774 492 P CB 0.090 31.666 31.700 -0.206 0.000 0.999 493 S N 1.457 116.467 115.700 -1.150 0.000 2.549 493 S HA 0.275 4.723 4.470 -0.038 0.000 0.279 493 S C -2.257 172.013 174.600 -0.550 0.000 1.321 493 S CA -1.316 56.375 58.200 -0.848 0.000 1.054 493 S CB -0.263 62.569 63.200 -0.613 0.000 0.899 493 S HN -0.063 nan 8.310 nan 0.000 0.497 494 P HA 0.045 nan 4.420 nan 0.000 0.267 494 P C -0.702 176.602 177.300 0.006 0.000 1.201 494 P CA -0.071 62.905 63.100 -0.207 0.000 0.775 494 P CB 0.326 31.868 31.700 -0.263 0.000 0.854 495 M N 3.157 122.889 119.600 0.220 0.000 2.157 495 M HA 0.333 4.790 4.480 -0.038 0.000 0.354 495 M C 0.406 176.861 176.300 0.258 0.000 1.170 495 M CA 0.361 55.730 55.300 0.114 0.000 1.060 495 M CB 0.801 33.305 32.600 -0.159 0.000 1.615 495 M HN 0.263 nan 8.290 nan 0.000 0.460 496 M N 3.012 122.666 119.600 0.090 0.000 2.514 496 M HA 0.217 4.674 4.480 -0.038 0.000 0.258 496 M C -0.698 176.043 176.300 0.736 0.000 1.159 496 M CA 0.302 55.740 55.300 0.230 0.000 1.116 496 M CB 0.348 32.865 32.600 -0.138 0.000 1.333 496 M HN 0.714 nan 8.290 nan 0.000 0.487 497 Y N -0.354 120.257 120.300 0.518 0.000 3.125 497 Y HA -0.244 4.283 4.550 -0.037 0.000 0.200 497 Y C 0.662 176.976 175.900 0.690 0.000 1.373 497 Y CA 0.319 58.761 58.100 0.569 0.000 1.180 497 Y CB -2.459 36.322 38.460 0.535 0.000 1.381 497 Y HN 0.336 nan 8.280 nan 0.000 0.501 498 A N -0.563 122.442 122.820 0.308 0.000 2.594 498 A HA 0.623 4.920 4.320 -0.038 0.000 0.287 498 A C 1.681 179.000 177.584 -0.441 0.000 1.227 498 A CA 0.663 52.667 52.037 -0.055 0.000 0.952 498 A CB -0.401 18.170 19.000 -0.715 0.000 1.161 498 A HN 1.699 nan 8.150 nan 0.000 0.524 499 G N 1.272 109.851 108.800 -0.368 0.000 2.611 499 G HA2 -0.323 3.614 3.960 -0.038 0.000 0.301 499 G HA3 -0.323 3.614 3.960 -0.038 0.000 0.301 499 G C -0.821 173.809 174.900 -0.451 0.000 1.233 499 G CA 0.428 45.123 45.100 -0.674 0.000 0.993 499 G HN 0.314 nan 8.290 nan 0.000 0.553 500 P HA -0.009 nan 4.420 nan 0.000 0.220 500 P C 1.775 178.941 177.300 -0.222 0.000 1.148 500 P CA 2.505 65.467 63.100 -0.230 0.000 0.803 500 P CB -0.379 31.247 31.700 -0.124 0.000 0.782 501 T N 0.176 114.549 114.554 -0.301 0.000 2.701 501 T HA -0.156 4.171 4.350 -0.038 0.000 0.263 501 T C 1.830 176.379 174.700 -0.251 0.000 1.040 501 T CA 1.473 63.412 62.100 -0.268 0.000 1.147 501 T CB -0.643 68.025 68.868 -0.334 0.000 0.865 501 T HN 0.289 nan 8.240 nan 0.000 0.426 502 E N 0.324 120.337 120.200 -0.311 0.000 2.110 502 E HA -0.104 4.223 4.350 -0.038 0.000 0.193 502 E C 2.118 178.499 176.600 -0.366 0.000 0.988 502 E CA 0.694 56.904 56.400 -0.316 0.000 0.804 502 E CB -0.142 29.345 29.700 -0.355 0.000 0.745 502 E HN 0.236 nan 8.360 nan 0.000 0.458 503 V N 0.601 120.353 119.914 -0.270 0.000 2.970 503 V HA -0.188 3.909 4.120 -0.038 0.000 0.260 503 V C 1.786 177.767 176.094 -0.189 0.000 1.100 503 V CA 1.541 63.731 62.300 -0.184 0.000 1.122 503 V CB -0.185 31.601 31.823 -0.060 0.000 0.721 503 V HN 0.326 nan 8.190 nan 0.000 0.483 504 Q N -0.849 118.860 119.800 -0.152 0.000 2.079 504 Q HA -0.221 4.096 4.340 -0.038 0.000 0.200 504 Q C 2.044 178.003 176.000 -0.069 0.000 0.974 504 Q CA 2.136 57.864 55.803 -0.125 0.000 0.840 504 Q CB -0.326 28.370 28.738 -0.069 0.000 0.898 504 Q HN 0.895 nan 8.270 nan 0.000 0.430 505 W N 1.300 122.495 121.300 -0.175 0.000 2.354 505 W HA -0.250 4.387 4.660 -0.039 0.000 0.315 505 W C 1.537 178.067 176.519 0.017 0.000 1.206 505 W CA 1.528 58.834 57.345 -0.066 0.000 1.290 505 W CB -0.250 29.173 29.460 -0.060 0.000 1.152 505 W HN 0.297 nan 8.180 nan 0.000 0.489 506 H N 0.175 119.058 119.070 -0.313 0.000 2.321 506 H HA -0.237 4.296 4.556 -0.038 0.000 0.295 506 H C 2.624 177.612 175.328 -0.568 0.000 1.102 506 H CA 1.871 57.616 56.048 -0.505 0.000 1.266 506 H CB -1.346 28.288 29.762 -0.213 0.000 1.363 506 H HN 0.243 nan 8.280 nan 0.000 0.492 507 C N 1.661 120.632 119.300 -0.549 0.000 2.489 507 C HA -0.085 4.352 4.460 -0.038 0.000 0.279 507 C C 3.013 177.711 174.990 -0.486 0.000 1.266 507 C CA 1.157 59.597 59.018 -0.963 0.000 1.707 507 C CB -0.640 26.443 27.740 -1.095 0.000 2.059 507 C HN 0.717 nan 8.230 nan 0.000 0.481 508 R N 2.261 122.557 120.500 -0.341 0.000 2.096 508 R HA 0.056 4.373 4.340 -0.038 0.000 0.235 508 R C 2.068 178.242 176.300 -0.210 0.000 1.127 508 R CA 2.272 58.229 56.100 -0.238 0.000 0.968 508 R CB -1.250 29.011 30.300 -0.065 0.000 0.861 508 R HN 0.423 nan 8.270 nan 0.000 0.440 509 A N 0.865 123.493 122.820 -0.318 0.000 1.940 509 A HA -0.107 4.190 4.320 -0.038 0.000 0.219 509 A C 2.139 179.751 177.584 0.047 0.000 1.176 509 A CA 1.706 53.637 52.037 -0.177 0.000 0.631 509 A CB -0.365 18.322 19.000 -0.521 0.000 0.814 509 A HN 0.298 nan 8.150 nan 0.000 0.446 510 R N -1.212 119.218 120.500 -0.116 0.000 2.119 510 R HA 0.113 4.430 4.340 -0.038 0.000 0.222 510 R C 2.164 178.487 176.300 0.040 0.000 1.088 510 R CA 1.297 57.420 56.100 0.039 0.000 0.984 510 R CB -0.660 29.669 30.300 0.047 0.000 0.884 510 R HN 0.718 nan 8.270 nan 0.000 0.447 511 M N -0.114 119.436 119.600 -0.083 0.000 2.117 511 M HA -0.159 4.299 4.480 -0.038 0.000 0.262 511 M C 1.441 177.673 176.300 -0.112 0.000 1.065 511 M CA 1.582 56.795 55.300 -0.146 0.000 1.114 511 M CB 0.048 32.471 32.600 -0.294 0.000 1.361 511 M HN 0.001 nan 8.290 nan 0.000 0.408 512 V N 0.875 120.742 119.914 -0.078 0.000 2.407 512 V HA -0.231 3.867 4.120 -0.038 0.000 0.248 512 V C 2.441 178.532 176.094 -0.005 0.000 1.055 512 V CA 1.895 64.182 62.300 -0.022 0.000 1.049 512 V CB -1.114 30.735 31.823 0.042 0.000 0.662 512 V HN 0.666 nan 8.190 nan 0.000 0.455 513 A N -1.062 121.791 122.820 0.054 0.000 2.238 513 A HA 0.424 4.721 4.320 -0.038 0.000 0.208 513 A C 1.781 179.507 177.584 0.237 0.000 1.177 513 A CA 1.013 53.113 52.037 0.104 0.000 0.804 513 A CB -0.181 18.994 19.000 0.291 0.000 0.823 513 A HN 1.184 nan 8.150 nan 0.000 0.482 514 G N -2.179 106.712 108.800 0.153 0.000 2.143 514 G HA2 0.193 4.130 3.960 -0.038 0.000 0.175 514 G HA3 0.193 4.130 3.960 -0.038 0.000 0.175 514 G C 0.303 175.221 174.900 0.030 0.000 1.004 514 G CA 0.032 45.213 45.100 0.136 0.000 0.671 514 G HN 1.434 nan 8.290 nan 0.000 0.512 515 A N -0.288 122.539 122.820 0.012 0.000 2.425 515 A HA 0.655 4.952 4.320 -0.038 0.000 0.249 515 A C 0.926 178.433 177.584 -0.128 0.000 1.084 515 A CA 0.893 52.890 52.037 -0.066 0.000 0.781 515 A CB 0.211 19.225 19.000 0.024 0.000 1.019 515 A HN 0.468 nan 8.150 nan 0.000 0.490 516 N N -0.477 118.109 118.700 -0.189 0.000 2.250 516 N HA 0.303 5.020 4.740 -0.038 0.000 0.190 516 N C -1.157 173.852 175.510 -0.835 0.000 1.116 516 N CA 0.378 53.158 53.050 -0.449 0.000 0.881 516 N CB 0.472 38.682 38.487 -0.461 0.000 1.006 516 N HN 0.565 nan 8.380 nan 0.000 0.491 517 F N -0.393 119.510 119.950 -0.077 0.000 2.596 517 F HA 0.318 4.822 4.527 -0.038 0.000 0.311 517 F C -1.328 174.498 175.800 0.043 0.000 1.116 517 F CA -1.126 56.856 58.000 -0.029 0.000 0.957 517 F CB 1.478 40.433 39.000 -0.075 0.000 1.250 517 F HN -0.179 nan 8.300 nan 0.000 0.444 518 Y N 4.325 124.689 120.300 0.107 0.000 2.332 518 Y HA 0.670 5.198 4.550 -0.038 0.000 0.326 518 Y C -0.903 175.069 175.900 0.120 0.000 0.978 518 Y CA -0.978 57.156 58.100 0.056 0.000 1.205 518 Y CB 0.819 39.262 38.460 -0.029 0.000 1.131 518 Y HN 0.515 nan 8.280 nan 0.000 0.462 519 I N 6.876 127.322 120.570 -0.206 0.000 2.416 519 I HA 0.314 4.461 4.170 -0.038 0.000 0.288 519 I C -0.634 175.406 176.117 -0.129 0.000 1.051 519 I CA -0.333 60.990 61.300 0.039 0.000 1.375 519 I CB 0.986 39.130 38.000 0.238 0.000 1.407 519 I HN 0.426 nan 8.210 nan 0.000 0.516 520 V N 6.549 126.570 119.914 0.179 0.000 2.686 520 V HA 0.813 4.910 4.120 -0.038 0.000 0.306 520 V C 0.071 176.339 176.094 0.290 0.000 1.065 520 V CA -0.059 62.350 62.300 0.182 0.000 0.894 520 V CB 1.610 33.582 31.823 0.249 0.000 1.004 520 V HN 0.831 nan 8.190 nan 0.000 0.424 521 G N 5.769 114.720 108.800 0.251 0.000 3.194 521 G HA2 0.506 4.444 3.960 -0.038 0.000 0.160 521 G HA3 0.506 4.444 3.960 -0.038 0.000 0.160 521 G C -0.312 174.721 174.900 0.223 0.000 1.267 521 G CA -0.732 44.548 45.100 0.300 0.000 0.962 521 G HN 0.943 nan 8.290 nan 0.000 0.612 522 R N -0.519 120.116 120.500 0.226 0.000 2.390 522 R HA 0.480 4.797 4.340 -0.038 0.000 0.291 522 R C -0.420 175.992 176.300 0.187 0.000 1.070 522 R CA 0.293 56.508 56.100 0.192 0.000 1.014 522 R CB 0.761 31.177 30.300 0.192 0.000 1.007 522 R HN 0.429 nan 8.270 nan 0.000 0.466 523 D N 1.134 121.639 120.400 0.176 0.000 2.697 523 D HA -0.100 4.518 4.640 -0.038 0.000 0.235 523 D C -1.906 174.504 176.300 0.183 0.000 1.167 523 D CA 0.441 54.557 54.000 0.193 0.000 0.656 523 D CB -0.149 40.773 40.800 0.204 0.000 1.025 523 D HN 0.647 nan 8.370 nan 0.000 0.419 524 P HA 0.272 nan 4.420 nan 0.000 0.271 524 P C 0.577 177.950 177.300 0.121 0.000 1.216 524 P CA 0.814 63.989 63.100 0.126 0.000 0.771 524 P CB 1.347 33.114 31.700 0.112 0.000 0.864 525 A N 1.689 124.602 122.820 0.155 0.000 2.899 525 A HA -0.100 4.197 4.320 -0.038 0.000 0.257 525 A C 0.847 178.593 177.584 0.270 0.000 1.335 525 A CA 1.050 53.184 52.037 0.162 0.000 0.924 525 A CB -2.331 16.680 19.000 0.018 0.000 1.105 525 A HN 0.829 nan 8.150 nan 0.000 0.765 526 G N -1.449 107.545 108.800 0.323 0.000 2.502 526 G HA2 0.853 4.791 3.960 -0.038 0.000 0.305 526 G HA3 0.853 4.791 3.960 -0.038 0.000 0.305 526 G C -0.278 174.875 174.900 0.421 0.000 1.190 526 G CA -0.171 45.209 45.100 0.467 0.000 0.933 526 G HN 1.778 nan 8.290 nan 0.000 0.503 527 M N -1.356 118.461 119.600 0.362 0.000 2.732 527 M HA 0.519 4.977 4.480 -0.038 0.000 0.272 527 M C -3.200 173.172 176.300 0.120 0.000 1.203 527 M CA -1.819 53.608 55.300 0.212 0.000 0.841 527 M CB 1.787 34.475 32.600 0.146 0.000 1.685 527 M HN 0.169 nan 8.290 nan 0.000 0.492 528 P HA 0.083 nan 4.420 nan 0.000 0.268 528 P C -1.094 176.239 177.300 0.054 0.000 1.205 528 P CA 0.151 63.289 63.100 0.063 0.000 0.771 528 P CB 0.222 31.954 31.700 0.054 0.000 0.858 529 H N 4.851 123.914 119.070 -0.012 0.000 3.004 529 H HA 0.016 4.549 4.556 -0.038 0.000 0.316 529 H C -1.542 173.784 175.328 -0.004 0.000 1.014 529 H CA -1.238 54.802 56.048 -0.013 0.000 1.454 529 H CB 0.395 30.137 29.762 -0.034 0.000 1.472 529 H HN 0.269 nan 8.280 nan 0.000 0.571 530 P HA -0.100 nan 4.420 nan 0.000 0.220 530 P C 0.839 178.246 177.300 0.178 0.000 1.148 530 P CA 0.961 64.131 63.100 0.117 0.000 0.803 530 P CB 0.623 32.347 31.700 0.039 0.000 0.782 531 E N -1.513 118.888 120.200 0.334 0.000 2.127 531 E HA -0.039 4.289 4.350 -0.038 0.000 0.191 531 E C 1.973 178.556 176.600 -0.029 0.000 0.964 531 E CA 1.587 58.045 56.400 0.097 0.000 0.832 531 E CB -1.301 28.428 29.700 0.049 0.000 0.790 531 E HN 0.313 nan 8.360 nan 0.000 0.465 532 T N -3.772 110.706 114.554 -0.127 0.000 3.037 532 T HA 0.279 4.607 4.350 -0.038 0.000 0.252 532 T C 1.666 176.342 174.700 -0.039 0.000 1.073 532 T CA 0.886 62.897 62.100 -0.150 0.000 1.091 532 T CB 0.383 69.071 68.868 -0.300 0.000 0.935 532 T HN 0.227 nan 8.240 nan 0.000 0.488 533 G N 1.511 110.332 108.800 0.035 0.000 2.205 533 G HA2 -0.264 3.673 3.960 -0.038 0.000 0.261 533 G HA3 -0.264 3.673 3.960 -0.038 0.000 0.261 533 G C 0.104 175.027 174.900 0.039 0.000 0.980 533 G CA 0.474 45.598 45.100 0.039 0.000 0.632 533 G HN 0.704 nan 8.290 nan 0.000 0.533 534 K N 0.643 121.064 120.400 0.036 0.000 2.107 534 K HA 0.352 4.649 4.320 -0.038 0.000 0.251 534 K C -0.107 176.528 176.600 0.058 0.000 1.012 534 K CA -0.750 55.554 56.287 0.029 0.000 0.920 534 K CB 0.351 32.852 32.500 0.003 0.000 1.033 534 K HN 0.084 nan 8.250 nan 0.000 0.478 535 D N 2.040 122.465 120.400 0.042 0.000 2.531 535 D HA -0.094 4.523 4.640 -0.038 0.000 0.239 535 D C 1.234 177.532 176.300 -0.002 0.000 1.144 535 D CA 0.456 54.483 54.000 0.046 0.000 0.869 535 D CB 0.658 41.495 40.800 0.060 0.000 1.160 535 D HN 0.399 nan 8.370 nan 0.000 0.484 536 L N 2.271 123.441 121.223 -0.089 0.000 2.079 536 L HA -0.182 4.135 4.340 -0.038 0.000 0.210 536 L C 0.265 176.792 176.870 -0.572 0.000 1.081 536 L CA 1.456 56.065 54.840 -0.386 0.000 0.752 536 L CB -0.010 41.604 42.059 -0.742 0.000 0.896 536 L HN 0.447 nan 8.230 nan 0.000 0.433 537 Y N -1.584 118.766 120.300 0.083 0.000 2.499 537 Y HA 0.295 4.822 4.550 -0.038 0.000 0.347 537 Y C 0.233 176.168 175.900 0.058 0.000 0.987 537 Y CA -1.312 56.810 58.100 0.038 0.000 1.044 537 Y CB 1.021 39.516 38.460 0.059 0.000 1.245 537 Y HN -0.197 nan 8.280 nan 0.000 0.461 538 E N 4.937 125.249 120.200 0.186 0.000 2.376 538 E HA 0.043 4.370 4.350 -0.038 0.000 0.266 538 E C -1.773 175.020 176.600 0.321 0.000 1.009 538 E CA -1.531 55.025 56.400 0.260 0.000 0.902 538 E CB 1.179 31.146 29.700 0.446 0.000 0.972 538 E HN 0.389 nan 8.360 nan 0.000 0.439 539 P HA -0.094 nan 4.420 nan 0.000 0.226 539 P C 0.920 178.319 177.300 0.166 0.000 1.153 539 P CA 0.776 63.989 63.100 0.189 0.000 0.777 539 P CB 0.324 32.106 31.700 0.136 0.000 0.794 540 S N -2.279 113.507 115.700 0.143 0.000 2.548 540 S HA -0.010 4.438 4.470 -0.038 0.000 0.215 540 S C 1.843 176.460 174.600 0.028 0.000 0.976 540 S CA -0.198 58.040 58.200 0.063 0.000 0.908 540 S CB -1.286 61.917 63.200 0.004 0.000 0.781 540 S HN 0.191 nan 8.310 nan 0.000 0.519 541 H N 1.469 120.578 119.070 0.064 0.000 2.326 541 H HA 0.003 4.536 4.556 -0.038 0.000 0.301 541 H C 2.519 177.857 175.328 0.018 0.000 1.081 541 H CA 1.503 57.578 56.048 0.044 0.000 1.334 541 H CB -0.660 29.137 29.762 0.059 0.000 1.385 541 H HN 0.593 nan 8.280 nan 0.000 0.504 542 G N 0.652 109.525 108.800 0.122 0.000 2.440 542 G HA2 -0.268 3.669 3.960 -0.038 0.000 0.218 542 G HA3 -0.268 3.669 3.960 -0.038 0.000 0.218 542 G C 1.965 176.891 174.900 0.044 0.000 1.154 542 G CA 1.135 46.265 45.100 0.050 0.000 0.767 542 G HN 0.477 nan 8.290 nan 0.000 0.552 543 A N 0.777 123.631 122.820 0.058 0.000 1.873 543 A HA 0.040 4.337 4.320 -0.038 0.000 0.215 543 A C 2.309 179.898 177.584 0.009 0.000 1.186 543 A CA 1.971 54.034 52.037 0.044 0.000 0.616 543 A CB -0.382 18.647 19.000 0.048 0.000 0.823 543 A HN 0.365 nan 8.150 nan 0.000 0.442 544 K N -0.417 119.976 120.400 -0.013 0.000 2.032 544 K HA -0.108 4.190 4.320 -0.038 0.000 0.209 544 K C 1.864 178.451 176.600 -0.022 0.000 1.048 544 K CA 1.550 57.815 56.287 -0.036 0.000 0.927 544 K CB -0.430 32.017 32.500 -0.088 0.000 0.712 544 K HN 0.284 nan 8.250 nan 0.000 0.441 545 V N 1.703 121.613 119.914 -0.006 0.000 2.295 545 V HA -0.241 3.856 4.120 -0.038 0.000 0.246 545 V C 2.223 178.306 176.094 -0.018 0.000 1.049 545 V CA 1.567 63.866 62.300 -0.003 0.000 1.024 545 V CB -0.357 31.472 31.823 0.010 0.000 0.648 545 V HN 0.316 nan 8.190 nan 0.000 0.447 546 L N 0.557 121.766 121.223 -0.023 0.000 2.046 546 L HA -0.170 4.147 4.340 -0.038 0.000 0.208 546 L C 2.738 179.587 176.870 -0.035 0.000 1.077 546 L CA 2.150 56.964 54.840 -0.043 0.000 0.747 546 L CB -0.745 41.292 42.059 -0.037 0.000 0.896 546 L HN 0.624 nan 8.230 nan 0.000 0.432 547 T N -2.805 111.737 114.554 -0.020 0.000 3.051 547 T HA -0.188 4.140 4.350 -0.038 0.000 0.269 547 T C 1.334 176.020 174.700 -0.023 0.000 1.127 547 T CA 1.156 63.244 62.100 -0.021 0.000 1.107 547 T CB -0.166 68.691 68.868 -0.019 0.000 0.898 547 T HN 0.535 nan 8.240 nan 0.000 0.517 548 M N -0.770 118.817 119.600 -0.021 0.000 2.289 548 M HA 0.676 5.133 4.480 -0.038 0.000 0.335 548 M C 0.566 176.857 176.300 -0.014 0.000 0.961 548 M CA -0.724 54.566 55.300 -0.017 0.000 1.018 548 M CB 0.449 33.041 32.600 -0.013 0.000 1.678 548 M HN 0.083 nan 8.290 nan 0.000 0.589 549 A N 3.674 126.483 122.820 -0.019 0.000 2.520 549 A HA 0.551 4.848 4.320 -0.038 0.000 0.245 549 A C -2.263 175.316 177.584 -0.007 0.000 1.072 549 A CA -0.918 51.111 52.037 -0.014 0.000 0.761 549 A CB -0.610 18.373 19.000 -0.027 0.000 1.004 549 A HN 0.298 nan 8.150 nan 0.000 0.499 550 P HA 0.341 nan 4.420 nan 0.000 0.272 550 P C 1.006 178.329 177.300 0.039 0.000 1.240 550 P CA 1.077 64.186 63.100 0.016 0.000 0.791 550 P CB 0.502 32.213 31.700 0.017 0.000 0.978 551 G N -0.109 108.728 108.800 0.062 0.000 2.184 551 G HA2 -0.244 3.694 3.960 -0.038 0.000 0.264 551 G HA3 -0.244 3.694 3.960 -0.038 0.000 0.264 551 G C 0.091 175.066 174.900 0.124 0.000 0.975 551 G CA 0.083 45.270 45.100 0.146 0.000 0.642 551 G HN 0.486 nan 8.290 nan 0.000 0.536 552 L N 1.785 123.016 121.223 0.012 0.000 2.783 552 L HA 0.405 4.722 4.340 -0.038 0.000 0.235 552 L C 2.139 178.959 176.870 -0.082 0.000 1.260 552 L CA -0.262 54.528 54.840 -0.083 0.000 1.184 552 L CB -0.164 41.832 42.059 -0.106 0.000 1.472 552 L HN 0.476 nan 8.230 nan 0.000 0.426 553 I N -2.606 117.934 120.570 -0.050 0.000 2.716 553 I HA -0.041 4.107 4.170 -0.038 0.000 0.259 553 I C 1.624 177.696 176.117 -0.073 0.000 1.172 553 I CA 1.129 62.410 61.300 -0.032 0.000 1.478 553 I CB -0.108 37.915 38.000 0.039 0.000 1.104 553 I HN 0.375 nan 8.210 nan 0.000 0.439 554 T N 0.561 115.041 114.554 -0.122 0.000 3.186 554 T HA 0.507 4.834 4.350 -0.038 0.000 0.257 554 T C 0.120 174.704 174.700 -0.195 0.000 1.029 554 T CA -0.453 61.568 62.100 -0.131 0.000 0.916 554 T CB -0.470 68.333 68.868 -0.108 0.000 1.041 554 T HN 0.376 nan 8.240 nan 0.000 0.562 555 L N -2.898 118.202 121.223 -0.205 0.000 2.409 555 L HA 0.819 5.137 4.340 -0.038 0.000 0.255 555 L C -0.952 175.776 176.870 -0.237 0.000 1.027 555 L CA -1.559 53.118 54.840 -0.272 0.000 0.834 555 L CB 1.549 43.468 42.059 -0.233 0.000 1.426 555 L HN 0.022 nan 8.230 nan 0.000 0.411 556 E N 1.075 121.085 120.200 -0.317 0.000 2.183 556 E HA 0.535 4.862 4.350 -0.038 0.000 0.271 556 E C -1.167 175.441 176.600 0.013 0.000 0.919 556 E CA -0.932 55.385 56.400 -0.140 0.000 0.781 556 E CB 1.472 31.100 29.700 -0.120 0.000 1.140 556 E HN 0.609 nan 8.360 nan 0.000 0.402 557 I N 4.386 124.983 120.570 0.045 0.000 2.371 557 I HA 0.125 4.273 4.170 -0.038 0.000 0.290 557 I C -0.225 175.948 176.117 0.093 0.000 1.028 557 I CA -0.478 60.882 61.300 0.100 0.000 1.345 557 I CB 1.023 39.056 38.000 0.054 0.000 1.407 557 I HN 0.302 nan 8.210 nan 0.000 0.501 558 V N 9.262 129.254 119.914 0.130 0.000 2.266 558 V HA 0.307 4.404 4.120 -0.038 0.000 0.271 558 V C -2.230 173.826 176.094 -0.064 0.000 1.032 558 V CA -1.351 60.964 62.300 0.025 0.000 0.806 558 V CB 1.223 33.145 31.823 0.165 0.000 1.052 558 V HN 0.598 nan 8.190 nan 0.000 0.449 559 P HA 0.621 nan 4.420 nan 0.000 0.292 559 P C -1.237 175.757 177.300 -0.510 0.000 1.283 559 P CA -0.526 62.468 63.100 -0.175 0.000 0.835 559 P CB 1.506 33.141 31.700 -0.107 0.000 1.017 560 F N 0.358 120.341 119.950 0.055 0.000 2.576 560 F HA 0.479 4.984 4.527 -0.037 0.000 0.313 560 F C 1.279 177.114 175.800 0.058 0.000 1.078 560 F CA -0.974 57.043 58.000 0.027 0.000 0.921 560 F CB 2.019 41.097 39.000 0.130 0.000 1.232 560 F HN 0.055 nan 8.300 nan 0.000 0.459 561 R N 0.416 121.022 120.500 0.177 0.000 2.801 561 R HA 0.344 4.661 4.340 -0.038 0.000 0.273 561 R C -0.546 175.953 176.300 0.330 0.000 1.080 561 R CA -0.569 55.645 56.100 0.189 0.000 1.197 561 R CB 0.780 31.147 30.300 0.110 0.000 1.109 561 R HN 0.523 nan 8.270 nan 0.000 0.535 562 V N 1.190 121.267 119.914 0.272 0.000 2.637 562 V HA 0.388 4.485 4.120 -0.038 0.000 0.296 562 V C -0.246 176.005 176.094 0.262 0.000 1.046 562 V CA -0.045 62.412 62.300 0.262 0.000 1.066 562 V CB 0.700 32.646 31.823 0.206 0.000 0.968 562 V HN 0.784 nan 8.190 nan 0.000 0.483 563 A N 5.618 128.547 122.820 0.181 0.000 2.325 563 A HA 1.012 5.309 4.320 -0.038 0.000 0.333 563 A C 0.013 177.531 177.584 -0.110 0.000 1.155 563 A CA -0.076 51.958 52.037 -0.005 0.000 0.814 563 A CB 1.540 20.469 19.000 -0.118 0.000 1.206 563 A HN 2.350 nan 8.150 nan 0.000 0.482 564 A N 0.216 122.925 122.820 -0.186 0.000 2.612 564 A HA 0.548 4.845 4.320 -0.038 0.000 0.293 564 A C -1.322 176.257 177.584 -0.008 0.000 1.075 564 A CA -0.580 51.297 52.037 -0.268 0.000 0.680 564 A CB 0.300 18.809 19.000 -0.818 0.000 1.279 564 A HN 1.353 nan 8.150 nan 0.000 0.411 565 Y N 2.445 122.683 120.300 -0.104 0.000 2.729 565 Y HA 0.167 4.696 4.550 -0.034 0.000 0.331 565 Y C 0.627 176.537 175.900 0.018 0.000 1.208 565 Y CA 0.706 58.787 58.100 -0.031 0.000 1.521 565 Y CB 0.373 38.797 38.460 -0.060 0.000 1.233 565 Y HN 0.652 nan 8.280 nan 0.000 0.539 566 N N 6.108 124.492 118.700 -0.527 0.000 2.439 566 N HA 0.087 4.805 4.740 -0.038 0.000 0.249 566 N C 0.401 175.432 175.510 -0.798 0.000 1.003 566 N CA -0.080 52.608 53.050 -0.602 0.000 0.942 566 N CB 1.044 39.233 38.487 -0.497 0.000 1.115 566 N HN 0.802 nan 8.380 nan 0.000 0.505 567 K N 2.765 122.873 120.400 -0.487 0.000 2.062 567 K HA -0.022 4.275 4.320 -0.038 0.000 0.205 567 K C 1.515 177.975 176.600 -0.233 0.000 1.051 567 K CA 1.097 57.235 56.287 -0.248 0.000 0.941 567 K CB 0.287 32.738 32.500 -0.082 0.000 0.719 567 K HN 0.491 nan 8.250 nan 0.000 0.440 568 K N 0.904 121.144 120.400 -0.266 0.000 1.991 568 K HA -0.181 4.117 4.320 -0.038 0.000 0.212 568 K C 1.533 178.013 176.600 -0.201 0.000 1.049 568 K CA 1.805 57.969 56.287 -0.206 0.000 0.932 568 K CB -0.012 32.370 32.500 -0.198 0.000 0.717 568 K HN 0.056 nan 8.250 nan 0.000 0.441 569 K N 0.750 120.994 120.400 -0.261 0.000 2.505 569 K HA 0.061 4.358 4.320 -0.038 0.000 0.192 569 K C 0.107 176.570 176.600 -0.229 0.000 1.025 569 K CA 0.110 56.271 56.287 -0.211 0.000 1.086 569 K CB 0.273 32.662 32.500 -0.185 0.000 0.840 569 K HN 0.069 nan 8.250 nan 0.000 0.514 570 K N 1.045 121.264 120.400 -0.303 0.000 3.020 570 K HA -0.248 4.049 4.320 -0.038 0.000 0.266 570 K C -0.727 175.769 176.600 -0.173 0.000 1.067 570 K CA 0.985 57.157 56.287 -0.192 0.000 0.780 570 K CB -0.911 31.575 32.500 -0.024 0.000 1.220 570 K HN 0.521 nan 8.250 nan 0.000 0.483 571 R N -1.525 118.735 120.500 -0.401 0.000 2.764 571 R HA 0.427 4.744 4.340 -0.038 0.000 0.270 571 R C -0.522 175.606 176.300 -0.288 0.000 1.014 571 R CA -1.245 54.735 56.100 -0.199 0.000 0.904 571 R CB 0.567 30.791 30.300 -0.126 0.000 1.236 571 R HN -0.186 nan 8.270 nan 0.000 0.466 572 M N 1.719 121.271 119.600 -0.081 0.000 2.239 572 M HA 0.233 4.690 4.480 -0.038 0.000 0.348 572 M C -0.436 175.755 176.300 -0.183 0.000 1.239 572 M CA 0.582 55.822 55.300 -0.100 0.000 1.114 572 M CB -0.033 32.499 32.600 -0.114 0.000 1.641 572 M HN 0.752 nan 8.290 nan 0.000 0.453 573 D N 0.932 121.234 120.400 -0.163 0.000 2.643 573 D HA 0.349 4.966 4.640 -0.038 0.000 0.283 573 D C -1.661 174.512 176.300 -0.211 0.000 1.242 573 D CA -0.381 53.500 54.000 -0.199 0.000 0.863 573 D CB 0.896 41.696 40.800 -0.000 0.000 1.382 573 D HN 0.395 nan 8.370 nan 0.000 0.444 574 Y N 1.197 121.546 120.300 0.082 0.000 2.436 574 Y HA 0.188 4.716 4.550 -0.037 0.000 0.336 574 Y C 0.224 176.071 175.900 -0.088 0.000 1.049 574 Y CA -0.466 57.655 58.100 0.035 0.000 1.294 574 Y CB 0.354 38.856 38.460 0.071 0.000 1.179 574 Y HN 0.246 nan 8.280 nan 0.000 0.520 575 Y N 3.816 123.898 120.300 -0.364 0.000 2.805 575 Y HA -0.006 4.521 4.550 -0.038 0.000 0.337 575 Y C -0.064 175.626 175.900 -0.349 0.000 1.252 575 Y CA 0.372 57.909 58.100 -0.940 0.000 1.515 575 Y CB 0.392 38.513 38.460 -0.566 0.000 1.305 575 Y HN 0.613 nan 8.280 nan 0.000 0.600 576 D N 2.841 122.689 120.400 -0.921 0.000 2.879 576 D HA 0.238 4.855 4.640 -0.038 0.000 0.236 576 D C -0.191 175.785 176.300 -0.540 0.000 1.171 576 D CA -0.416 53.357 54.000 -0.379 0.000 0.868 576 D CB 2.397 43.127 40.800 -0.117 0.000 1.598 576 D HN 0.625 nan 8.370 nan 0.000 0.497 577 S N 1.744 117.328 115.700 -0.194 0.000 2.335 577 S HA -0.078 4.369 4.470 -0.038 0.000 0.217 577 S C 0.019 174.672 174.600 0.089 0.000 1.032 577 S CA 0.738 58.927 58.200 -0.017 0.000 0.985 577 S CB -0.152 63.122 63.200 0.123 0.000 0.896 577 S HN 0.530 nan 8.310 nan 0.000 0.445 578 E N 1.226 121.500 120.200 0.124 0.000 1.985 578 E HA 0.248 4.576 4.350 -0.038 0.000 0.268 578 E C -0.364 176.466 176.600 0.383 0.000 1.219 578 E CA 0.239 56.751 56.400 0.185 0.000 0.942 578 E CB -0.058 29.744 29.700 0.170 0.000 1.045 578 E HN 0.438 nan 8.360 nan 0.000 0.413 579 H N -0.936 118.170 119.070 0.060 0.000 3.352 579 H HA -0.101 4.432 4.556 -0.038 0.000 0.171 579 H C 0.598 176.009 175.328 0.140 0.000 0.826 579 H CA 0.358 56.441 56.048 0.059 0.000 1.154 579 H CB -1.549 28.249 29.762 0.060 0.000 1.029 579 H HN 0.643 nan 8.280 nan 0.000 0.417 580 H N 2.030 121.210 119.070 0.183 0.000 2.362 580 H HA -0.185 4.348 4.556 -0.038 0.000 0.294 580 H C 1.649 177.158 175.328 0.301 0.000 1.113 580 H CA 2.682 58.906 56.048 0.293 0.000 1.253 580 H CB 0.427 30.354 29.762 0.275 0.000 1.363 580 H HN 0.589 nan 8.280 nan 0.000 0.494 581 E N 0.069 120.296 120.200 0.044 0.000 2.204 581 E HA -0.118 4.209 4.350 -0.038 0.000 0.195 581 E C 1.543 178.082 176.600 -0.101 0.000 0.990 581 E CA 1.234 57.597 56.400 -0.061 0.000 0.821 581 E CB -0.119 29.563 29.700 -0.030 0.000 0.750 581 E HN 0.621 nan 8.360 nan 0.000 0.477 582 D N -0.205 120.097 120.400 -0.163 0.000 2.348 582 D HA -0.045 4.573 4.640 -0.038 0.000 0.216 582 D C -0.408 175.583 176.300 -0.515 0.000 0.970 582 D CA 0.640 54.405 54.000 -0.392 0.000 0.889 582 D CB 0.020 40.484 40.800 -0.559 0.000 0.912 582 D HN 0.178 nan 8.370 nan 0.000 0.524 583 F N 1.074 120.993 119.950 -0.051 0.000 2.426 583 F HA 0.263 4.767 4.527 -0.039 0.000 0.348 583 F C 0.709 176.484 175.800 -0.043 0.000 1.124 583 F CA -0.933 57.030 58.000 -0.062 0.000 1.008 583 F CB 1.538 40.549 39.000 0.018 0.000 1.139 583 F HN -0.376 nan 8.300 nan 0.000 0.452 584 E N 3.304 123.581 120.200 0.128 0.000 2.200 584 E HA 0.289 4.617 4.350 -0.038 0.000 0.283 584 E C -1.312 175.286 176.600 -0.004 0.000 1.015 584 E CA -0.511 55.948 56.400 0.098 0.000 0.819 584 E CB 0.811 30.548 29.700 0.062 0.000 1.081 584 E HN 0.384 nan 8.360 nan 0.000 0.397 585 F N 4.574 124.572 119.950 0.080 0.000 2.405 585 F HA 0.339 4.842 4.527 -0.040 0.000 0.355 585 F C 0.301 176.099 175.800 -0.002 0.000 1.121 585 F CA -0.455 57.582 58.000 0.062 0.000 1.112 585 F CB 0.790 39.831 39.000 0.068 0.000 1.126 585 F HN 0.290 nan 8.300 nan 0.000 0.481 586 I N 4.081 124.723 120.570 0.120 0.000 2.437 586 I HA 0.220 4.368 4.170 -0.038 0.000 0.279 586 I C -0.198 176.004 176.117 0.142 0.000 1.028 586 I CA -0.452 60.824 61.300 -0.041 0.000 1.142 586 I CB 1.084 38.755 38.000 -0.548 0.000 1.266 586 I HN 0.527 nan 8.210 nan 0.000 0.461 587 S N 3.418 119.206 115.700 0.146 0.000 2.669 587 S HA 0.361 4.808 4.470 -0.038 0.000 0.270 587 S C 1.395 176.127 174.600 0.220 0.000 1.225 587 S CA -0.194 58.126 58.200 0.200 0.000 0.991 587 S CB 1.661 64.946 63.200 0.141 0.000 0.987 587 S HN 0.741 nan 8.310 nan 0.000 0.552 588 G N 0.052 109.000 108.800 0.247 0.000 2.501 588 G HA2 -0.086 3.851 3.960 -0.038 0.000 0.220 588 G HA3 -0.086 3.851 3.960 -0.038 0.000 0.220 588 G C 0.956 175.966 174.900 0.185 0.000 1.114 588 G CA 1.126 46.392 45.100 0.277 0.000 0.757 588 G HN 0.730 nan 8.290 nan 0.000 0.559 589 T N -0.481 114.142 114.554 0.116 0.000 2.976 589 T HA 0.063 4.390 4.350 -0.038 0.000 0.257 589 T C 2.316 177.013 174.700 -0.005 0.000 1.051 589 T CA 0.593 62.720 62.100 0.044 0.000 1.141 589 T CB 0.098 68.991 68.868 0.042 0.000 0.881 589 T HN 0.256 nan 8.240 nan 0.000 0.461 590 R N 0.836 121.345 120.500 0.016 0.000 2.081 590 R HA 0.048 4.366 4.340 -0.038 0.000 0.235 590 R C 2.435 178.721 176.300 -0.024 0.000 1.131 590 R CA 1.313 57.401 56.100 -0.020 0.000 0.960 590 R CB -0.266 30.013 30.300 -0.035 0.000 0.856 590 R HN 0.345 nan 8.270 nan 0.000 0.436 591 M N -0.495 119.137 119.600 0.052 0.000 2.108 591 M HA -0.193 4.264 4.480 -0.038 0.000 0.261 591 M C 2.441 178.633 176.300 -0.180 0.000 1.066 591 M CA 1.686 57.099 55.300 0.188 0.000 1.107 591 M CB -0.318 32.574 32.600 0.485 0.000 1.356 591 M HN 0.130 nan 8.290 nan 0.000 0.406 592 R N 0.742 120.921 120.500 -0.535 0.000 2.152 592 R HA -0.119 4.199 4.340 -0.038 0.000 0.232 592 R C 2.021 178.034 176.300 -0.479 0.000 1.117 592 R CA 1.297 56.765 56.100 -1.053 0.000 0.981 592 R CB 0.051 29.957 30.300 -0.657 0.000 0.870 592 R HN 0.299 nan 8.270 nan 0.000 0.451 593 K N 0.273 120.533 120.400 -0.234 0.000 2.007 593 K HA -0.087 4.210 4.320 -0.038 0.000 0.206 593 K C 2.122 178.679 176.600 -0.073 0.000 1.047 593 K CA 1.358 57.570 56.287 -0.125 0.000 0.937 593 K CB -0.132 32.320 32.500 -0.080 0.000 0.718 593 K HN 0.159 nan 8.250 nan 0.000 0.438 594 L N 0.619 121.828 121.223 -0.023 0.000 2.042 594 L HA -0.215 4.102 4.340 -0.038 0.000 0.210 594 L C 2.493 179.451 176.870 0.147 0.000 1.076 594 L CA 1.439 56.313 54.840 0.056 0.000 0.749 594 L CB -0.529 41.566 42.059 0.060 0.000 0.893 594 L HN 0.195 nan 8.230 nan 0.000 0.432 595 A N -0.283 122.612 122.820 0.124 0.000 2.015 595 A HA -0.200 4.098 4.320 -0.038 0.000 0.219 595 A C 2.448 180.023 177.584 -0.015 0.000 1.163 595 A CA 1.608 53.686 52.037 0.069 0.000 0.646 595 A CB -0.492 18.422 19.000 -0.143 0.000 0.806 595 A HN 0.411 nan 8.150 nan 0.000 0.448 596 R N -0.007 120.452 120.500 -0.069 0.000 2.051 596 R HA -0.077 4.240 4.340 -0.038 0.000 0.225 596 R C 1.781 178.068 176.300 -0.022 0.000 1.155 596 R CA 1.334 57.399 56.100 -0.058 0.000 0.945 596 R CB -0.471 29.781 30.300 -0.081 0.000 0.840 596 R HN 0.534 nan 8.270 nan 0.000 0.432 597 E N -0.612 119.576 120.200 -0.019 0.000 2.352 597 E HA -0.188 4.139 4.350 -0.038 0.000 0.203 597 E C 0.851 177.459 176.600 0.014 0.000 1.024 597 E CA 0.977 57.373 56.400 -0.007 0.000 0.842 597 E CB -0.184 29.507 29.700 -0.014 0.000 0.753 597 E HN 0.801 nan 8.360 nan 0.000 0.508 598 G N 0.669 109.493 108.800 0.041 0.000 2.157 598 G HA2 -0.295 3.643 3.960 -0.038 0.000 0.248 598 G HA3 -0.295 3.643 3.960 -0.038 0.000 0.248 598 G C 0.169 175.123 174.900 0.090 0.000 0.979 598 G CA 0.427 45.566 45.100 0.065 0.000 0.650 598 G HN 0.285 nan 8.290 nan 0.000 0.529 599 Q N -0.414 119.435 119.800 0.081 0.000 2.177 599 Q HA 0.719 5.036 4.340 -0.038 0.000 0.183 599 Q C 0.114 176.152 176.000 0.063 0.000 1.040 599 Q CA -0.310 55.517 55.803 0.041 0.000 1.089 599 Q CB 0.841 29.563 28.738 -0.027 0.000 1.130 599 Q HN 0.274 nan 8.270 nan 0.000 0.575 600 K N 0.813 121.115 120.400 -0.164 0.000 2.426 600 K HA 0.475 4.773 4.320 -0.038 0.000 0.251 600 K C -2.564 173.677 176.600 -0.598 0.000 0.941 600 K CA -1.923 54.054 56.287 -0.517 0.000 0.808 600 K CB 1.714 33.985 32.500 -0.382 0.000 1.265 600 K HN 0.363 nan 8.250 nan 0.000 0.432 601 P HA 0.168 nan 4.420 nan 0.000 0.272 601 P C -2.554 174.400 177.300 -0.577 0.000 1.240 601 P CA -1.188 61.476 63.100 -0.727 0.000 0.791 601 P CB -0.552 30.668 31.700 -0.800 0.000 0.978 602 P HA -0.031 nan 4.420 nan 0.000 0.267 602 P C -0.008 177.017 177.300 -0.458 0.000 1.195 602 P CA 0.290 63.021 63.100 -0.614 0.000 0.773 602 P CB 0.150 31.096 31.700 -1.257 0.000 0.837 603 E N 0.954 121.021 120.200 -0.222 0.000 2.415 603 E HA 0.240 4.567 4.350 -0.038 0.000 0.263 603 E C 1.014 177.637 176.600 0.038 0.000 0.995 603 E CA 0.674 57.028 56.400 -0.077 0.000 0.915 603 E CB -0.574 29.116 29.700 -0.017 0.000 0.951 603 E HN 0.745 nan 8.360 nan 0.000 0.449 604 G N 3.802 112.633 108.800 0.052 0.000 2.176 604 G HA2 -0.326 3.611 3.960 -0.038 0.000 0.232 604 G HA3 -0.326 3.611 3.960 -0.038 0.000 0.232 604 G C 0.267 175.266 174.900 0.166 0.000 0.986 604 G CA 0.209 45.389 45.100 0.132 0.000 0.643 604 G HN 0.629 nan 8.290 nan 0.000 0.522 605 F N 1.386 121.274 119.950 -0.104 0.000 2.147 605 F HA 0.592 5.095 4.527 -0.039 0.000 0.291 605 F C 1.236 177.003 175.800 -0.054 0.000 1.093 605 F CA 1.661 59.573 58.000 -0.147 0.000 1.263 605 F CB 0.093 38.878 39.000 -0.357 0.000 1.036 605 F HN 0.372 nan 8.300 nan 0.000 0.481 606 M N -0.273 119.295 119.600 -0.052 0.000 2.569 606 M HA 0.676 5.133 4.480 -0.038 0.000 0.279 606 M C -0.757 175.577 176.300 0.057 0.000 1.253 606 M CA -0.994 54.272 55.300 -0.058 0.000 0.867 606 M CB 1.606 34.179 32.600 -0.045 0.000 1.727 606 M HN -0.064 nan 8.290 nan 0.000 0.467 607 A N 2.599 125.452 122.820 0.055 0.000 2.561 607 A HA 0.337 4.634 4.320 -0.038 0.000 0.251 607 A C -1.989 175.682 177.584 0.145 0.000 1.062 607 A CA -0.785 51.297 52.037 0.075 0.000 0.761 607 A CB -1.010 18.023 19.000 0.055 0.000 0.986 607 A HN 0.759 nan 8.150 nan 0.000 0.510 608 P HA -0.218 nan 4.420 nan 0.000 0.215 608 P C 1.214 178.642 177.300 0.213 0.000 1.163 608 P CA 1.784 64.988 63.100 0.173 0.000 0.894 608 P CB 0.075 31.837 31.700 0.104 0.000 0.791 609 K N -0.962 119.524 120.400 0.143 0.000 2.211 609 K HA -0.092 4.205 4.320 -0.038 0.000 0.204 609 K C 2.081 178.764 176.600 0.138 0.000 1.047 609 K CA 1.350 57.713 56.287 0.127 0.000 0.935 609 K CB -0.519 32.033 32.500 0.086 0.000 0.728 609 K HN 0.074 nan 8.250 nan 0.000 0.452 610 A N 1.187 124.103 122.820 0.160 0.000 1.854 610 A HA -0.180 4.117 4.320 -0.038 0.000 0.214 610 A C 1.886 179.596 177.584 0.210 0.000 1.192 610 A CA 0.931 53.065 52.037 0.162 0.000 0.611 610 A CB -1.013 18.079 19.000 0.155 0.000 0.832 610 A HN 0.594 nan 8.150 nan 0.000 0.442 611 W N 1.280 122.641 121.300 0.102 0.000 2.290 611 W HA -0.267 4.371 4.660 -0.037 0.000 0.318 611 W C 1.861 178.450 176.519 0.117 0.000 1.248 611 W CA 2.616 60.037 57.345 0.128 0.000 1.263 611 W CB -0.641 28.890 29.460 0.119 0.000 1.147 611 W HN 0.371 nan 8.180 nan 0.000 0.494 612 T N 1.013 115.617 114.554 0.083 0.000 2.746 612 T HA -0.194 4.133 4.350 -0.038 0.000 0.267 612 T C 1.812 176.467 174.700 -0.076 0.000 1.039 612 T CA 1.959 64.045 62.100 -0.024 0.000 1.142 612 T CB -0.801 68.119 68.868 0.086 0.000 0.866 612 T HN 0.010 nan 8.240 nan 0.000 0.444 613 V N 1.674 121.592 119.914 0.007 0.000 2.324 613 V HA -0.183 3.914 4.120 -0.038 0.000 0.250 613 V C 2.467 178.518 176.094 -0.071 0.000 1.060 613 V CA 1.605 63.946 62.300 0.069 0.000 1.042 613 V CB -0.718 31.177 31.823 0.120 0.000 0.650 613 V HN 0.459 nan 8.190 nan 0.000 0.450 614 L N 0.302 121.386 121.223 -0.231 0.000 2.072 614 L HA -0.141 4.177 4.340 -0.038 0.000 0.205 614 L C 2.878 179.465 176.870 -0.471 0.000 1.079 614 L CA 1.955 56.556 54.840 -0.399 0.000 0.752 614 L CB -1.137 40.694 42.059 -0.380 0.000 0.906 614 L HN 0.611 nan 8.230 nan 0.000 0.436 615 T N -3.001 111.216 114.554 -0.562 0.000 2.720 615 T HA -0.195 4.133 4.350 -0.038 0.000 0.268 615 T C 1.703 176.243 174.700 -0.267 0.000 1.037 615 T CA 1.133 63.012 62.100 -0.368 0.000 1.144 615 T CB -0.273 68.412 68.868 -0.304 0.000 0.864 615 T HN 0.207 nan 8.240 nan 0.000 0.444 616 E N 0.546 120.607 120.200 -0.232 0.000 2.110 616 E HA -0.082 4.245 4.350 -0.038 0.000 0.193 616 E C 1.784 178.052 176.600 -0.554 0.000 0.988 616 E CA 1.227 57.517 56.400 -0.183 0.000 0.804 616 E CB -0.677 29.080 29.700 0.096 0.000 0.745 616 E HN 0.844 nan 8.360 nan 0.000 0.458 617 Y N 0.392 120.014 120.300 -1.131 0.000 2.070 617 Y HA -0.334 4.210 4.550 -0.010 0.000 0.280 617 Y C 2.261 177.619 175.900 -0.904 0.000 1.148 617 Y CA 1.828 58.893 58.100 -1.724 0.000 1.125 617 Y CB -0.626 36.876 38.460 -1.598 0.000 0.975 617 Y HN 0.000 nan 8.280 nan 0.000 0.492 618 Y N 0.640 120.368 120.300 -0.954 0.000 2.207 618 Y HA -0.291 4.230 4.550 -0.049 0.000 0.287 618 Y C 2.626 178.207 175.900 -0.533 0.000 1.156 618 Y CA 1.567 59.178 58.100 -0.814 0.000 1.182 618 Y CB -0.259 37.911 38.460 -0.485 0.000 0.979 618 Y HN 0.131 nan 8.280 nan 0.000 0.521 619 K N 0.184 120.428 120.400 -0.260 0.000 2.020 619 K HA -0.217 4.080 4.320 -0.038 0.000 0.212 619 K C 2.243 178.734 176.600 -0.182 0.000 1.050 619 K CA 2.077 58.259 56.287 -0.174 0.000 0.929 619 K CB -0.282 32.147 32.500 -0.120 0.000 0.714 619 K HN 0.327 nan 8.250 nan 0.000 0.443 620 S N 1.217 116.777 115.700 -0.234 0.000 2.423 620 S HA -0.119 4.329 4.470 -0.038 0.000 0.231 620 S C 1.928 176.427 174.600 -0.168 0.000 1.014 620 S CA 0.725 58.846 58.200 -0.133 0.000 0.965 620 S CB -0.384 62.814 63.200 -0.003 0.000 0.785 620 S HN 0.244 nan 8.310 nan 0.000 0.495 621 L N 1.566 122.592 121.223 -0.329 0.000 2.046 621 L HA -0.026 4.291 4.340 -0.038 0.000 0.208 621 L C 0.514 177.295 176.870 -0.148 0.000 1.077 621 L CA 1.357 56.028 54.840 -0.281 0.000 0.747 621 L CB -0.371 41.393 42.059 -0.492 0.000 0.896 621 L HN 0.391 nan 8.230 nan 0.000 0.432 622 E N 2.201 122.317 120.200 -0.140 0.000 1.791 622 E HA 0.208 4.536 4.350 -0.038 0.000 0.263 622 E C -0.666 175.895 176.600 -0.065 0.000 1.213 622 E CA 0.227 56.575 56.400 -0.087 0.000 0.991 622 E CB 0.716 30.366 29.700 -0.082 0.000 1.068 622 E HN 0.279 nan 8.360 nan 0.000 0.417 623 K N 0.000 120.372 120.400 -0.047 0.000 2.780 623 K HA 0.000 4.297 4.320 -0.038 0.000 0.191 623 K CA 0.000 56.271 56.287 -0.026 0.000 0.838 623 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 623 K HN 0.000 nan 8.250 nan 0.000 0.543