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 1lpf_1_B DATA FIRST_RESID 1 DATA SEQUENCE SQKFDVVVIG AGPGGYVAAI RAAQLGLKTA CIEKYIGKEG KVALGGTcLN DATA SEQUENCE VGcIPSKALL DSSYKYHEAK EAFKVHGIEA KGVTIDVPAM VARKANIVKN DATA SEQUENCE LTGGIATLFK ANGVTSFEGH GKLLANKQVE VTGLDGKTQV LEAENVIIAS DATA SEQUENCE GSRPVEIPPA PLSDDIIVDS TGALEFQAVP KKLGVIGAGV IGLELGSVWA DATA SEQUENCE RLGAEVTVLE ALDKFLPAAD EQIAKEALKV LTKQGLNIRL GARVTASEVK DATA SEQUENCE KKQVTVTFTD ANGEQKETFD KLIVAVGRRP VTTDLLAADS GVTLDERGFI DATA SEQUENCE YVDDHCKTSV PGVFAIGDVV RGAMLAHKAS EEGVMVAERI AGHKAQMNYD DATA SEQUENCE LIPSVIYTHP EIAWVGKTEQ TLKAEGVEVN VGTFPFAASG RAMAANDTTG DATA SEQUENCE LVKVIADAKT DRVLGVHVIG PSAAELVQQG AIGMEFGTSA EDLGMMVFSH DATA SEQUENCE PTLSEALHEA ALAVNGHAIH IA 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.575 174.600 -0.042 0.000 1.055 1 S CA 0.000 58.255 58.200 0.092 0.000 1.107 1 S CB 0.000 63.257 63.200 0.096 0.000 0.593 2 Q N 0.006 119.696 119.800 -0.183 0.000 2.619 2 Q HA 0.363 4.703 4.340 -0.001 0.000 0.230 2 Q C -0.259 175.579 176.000 -0.270 0.000 0.871 2 Q CA 0.622 56.323 55.803 -0.170 0.000 0.934 2 Q CB 0.307 28.980 28.738 -0.108 0.000 1.183 2 Q HN 0.446 nan 8.270 nan 0.000 0.631 3 K N 0.116 120.288 120.400 -0.380 0.000 2.182 3 K HA 0.457 4.777 4.320 -0.001 0.000 0.262 3 K C -1.479 174.791 176.600 -0.550 0.000 0.957 3 K CA -0.061 56.040 56.287 -0.309 0.000 0.842 3 K CB 0.716 33.114 32.500 -0.170 0.000 1.099 3 K HN -0.220 nan 8.250 nan 0.000 0.438 4 F N 1.121 121.088 119.950 0.028 0.000 2.613 4 F HA 0.271 4.798 4.527 -0.001 0.000 0.310 4 F C 0.789 176.605 175.800 0.027 0.000 1.085 4 F CA -0.802 57.220 58.000 0.037 0.000 0.945 4 F CB 2.127 41.162 39.000 0.057 0.000 1.298 4 F HN 0.575 nan 8.300 nan 0.000 0.455 5 D N 0.537 121.081 120.400 0.239 0.000 2.137 5 D HA 0.052 4.692 4.640 -0.001 0.000 0.202 5 D C 0.000 176.380 176.300 0.133 0.000 0.970 5 D CA 1.622 55.705 54.000 0.139 0.000 0.837 5 D CB 0.518 41.380 40.800 0.103 0.000 0.981 5 D HN 0.098 nan 8.370 nan 0.000 0.475 6 V N 0.695 120.691 119.914 0.135 0.000 2.760 6 V HA 0.454 4.574 4.120 -0.001 0.000 0.309 6 V C -0.259 175.856 176.094 0.035 0.000 1.077 6 V CA -0.958 61.395 62.300 0.087 0.000 0.910 6 V CB 2.730 34.584 31.823 0.051 0.000 1.008 6 V HN -0.289 nan 8.190 nan 0.000 0.424 7 V N 4.376 124.313 119.914 0.037 0.000 2.483 7 V HA 0.541 4.661 4.120 -0.001 0.000 0.297 7 V C -0.401 175.695 176.094 0.003 0.000 1.027 7 V CA -0.463 61.825 62.300 -0.020 0.000 0.855 7 V CB 2.111 33.954 31.823 0.032 0.000 0.995 7 V HN 0.721 nan 8.190 nan 0.000 0.424 8 V N 6.474 126.377 119.914 -0.018 0.000 2.459 8 V HA 0.541 4.661 4.120 -0.001 0.000 0.295 8 V C -0.193 175.916 176.094 0.025 0.000 1.029 8 V CA -0.525 61.784 62.300 0.015 0.000 0.874 8 V CB 1.929 33.758 31.823 0.011 0.000 0.985 8 V HN 0.675 nan 8.190 nan 0.000 0.438 9 I N 4.206 124.794 120.570 0.030 0.000 2.354 9 I HA 0.729 4.899 4.170 -0.001 0.000 0.286 9 I C 0.585 176.718 176.117 0.026 0.000 1.007 9 I CA -0.054 61.257 61.300 0.018 0.000 1.167 9 I CB 1.345 39.340 38.000 -0.007 0.000 1.320 9 I HN 0.921 nan 8.210 nan 0.000 0.458 10 G N 4.400 113.227 108.800 0.044 0.000 3.067 10 G HA2 0.118 4.078 3.960 -0.001 0.000 0.686 10 G HA3 0.118 4.078 3.960 -0.001 0.000 0.686 10 G C -0.357 174.613 174.900 0.116 0.000 1.119 10 G CA -0.327 44.809 45.100 0.060 0.000 0.790 10 G HN 0.891 nan 8.290 nan 0.000 0.605 11 A N 1.619 124.527 122.820 0.147 0.000 2.713 11 A HA 0.775 5.094 4.320 -0.001 0.000 0.296 11 A C 1.434 179.172 177.584 0.257 0.000 1.255 11 A CA 1.137 53.321 52.037 0.243 0.000 0.955 11 A CB -0.215 18.932 19.000 0.244 0.000 1.149 11 A HN 2.189 nan 8.150 nan 0.000 0.538 12 G N 0.377 109.266 108.800 0.148 0.000 2.611 12 G HA2 0.366 4.326 3.960 -0.001 0.000 0.273 12 G HA3 0.366 4.326 3.960 -0.001 0.000 0.273 12 G C -0.722 174.204 174.900 0.044 0.000 1.305 12 G CA -0.619 44.544 45.100 0.104 0.000 1.010 12 G HN 0.135 nan 8.290 nan 0.000 0.509 13 P HA -0.208 nan 4.420 nan 0.000 0.217 13 P C 1.978 179.025 177.300 -0.421 0.000 1.162 13 P CA 2.234 65.073 63.100 -0.435 0.000 0.901 13 P CB -0.304 31.275 31.700 -0.203 0.000 0.793 14 G N -0.313 108.369 108.800 -0.197 0.000 2.446 14 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 14 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 14 G C 1.897 176.735 174.900 -0.103 0.000 1.168 14 G CA 1.188 46.206 45.100 -0.136 0.000 0.771 14 G HN 0.417 nan 8.290 nan 0.000 0.551 15 G N 0.431 109.209 108.800 -0.036 0.000 2.434 15 G HA2 -0.156 3.804 3.960 -0.001 0.000 0.214 15 G HA3 -0.156 3.804 3.960 -0.001 0.000 0.214 15 G C 1.736 176.727 174.900 0.152 0.000 1.202 15 G CA 1.361 46.497 45.100 0.060 0.000 0.788 15 G HN 0.597 nan 8.290 nan 0.000 0.539 16 Y N 0.942 121.333 120.300 0.150 0.000 2.242 16 Y HA 0.053 4.603 4.550 -0.001 0.000 0.291 16 Y C 2.422 178.461 175.900 0.232 0.000 1.137 16 Y CA 0.932 59.211 58.100 0.298 0.000 1.181 16 Y CB -0.966 37.557 38.460 0.104 0.000 0.989 16 Y HN 0.023 nan 8.280 nan 0.000 0.527 17 V N 1.491 121.294 119.914 -0.184 0.000 2.295 17 V HA -0.289 3.830 4.120 -0.001 0.000 0.246 17 V C 2.921 179.024 176.094 0.014 0.000 1.049 17 V CA 2.057 64.290 62.300 -0.112 0.000 1.024 17 V CB -1.521 30.108 31.823 -0.323 0.000 0.648 17 V HN 0.643 nan 8.190 nan 0.000 0.447 18 A N -0.134 122.676 122.820 -0.017 0.000 1.908 18 A HA -0.161 4.159 4.320 -0.001 0.000 0.218 18 A C 2.420 180.019 177.584 0.025 0.000 1.181 18 A CA 2.243 54.275 52.037 -0.007 0.000 0.627 18 A CB -0.818 18.173 19.000 -0.015 0.000 0.818 18 A HN 0.585 nan 8.150 nan 0.000 0.445 19 A N 0.086 122.945 122.820 0.065 0.000 1.858 19 A HA -0.111 4.209 4.320 -0.001 0.000 0.216 19 A C 2.114 179.711 177.584 0.022 0.000 1.190 19 A CA 1.597 53.636 52.037 0.003 0.000 0.617 19 A CB -0.663 18.283 19.000 -0.089 0.000 0.827 19 A HN 0.507 nan 8.150 nan 0.000 0.443 20 I N -1.221 119.446 120.570 0.162 0.000 2.361 20 I HA -0.232 3.938 4.170 -0.001 0.000 0.251 20 I C 2.688 178.854 176.117 0.082 0.000 1.133 20 I CA 1.619 63.016 61.300 0.161 0.000 1.413 20 I CB -0.291 37.872 38.000 0.272 0.000 1.073 20 I HN 0.275 nan 8.210 nan 0.000 0.424 21 R N 1.610 122.144 120.500 0.057 0.000 2.057 21 R HA -0.043 4.296 4.340 -0.001 0.000 0.229 21 R C 2.324 178.636 176.300 0.020 0.000 1.136 21 R CA 1.758 57.877 56.100 0.032 0.000 0.952 21 R CB -0.784 29.523 30.300 0.012 0.000 0.848 21 R HN 0.291 nan 8.270 nan 0.000 0.430 22 A N 0.514 123.337 122.820 0.004 0.000 1.892 22 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 22 A C 2.394 179.979 177.584 0.002 0.000 1.188 22 A CA 2.250 54.284 52.037 -0.005 0.000 0.631 22 A CB -1.289 17.704 19.000 -0.012 0.000 0.822 22 A HN 0.503 nan 8.150 nan 0.000 0.447 23 A N -0.919 121.900 122.820 -0.003 0.000 1.883 23 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 23 A C 2.130 179.724 177.584 0.017 0.000 1.186 23 A CA 1.865 53.902 52.037 -0.001 0.000 0.624 23 A CB -0.683 18.310 19.000 -0.013 0.000 0.822 23 A HN 0.669 nan 8.150 nan 0.000 0.444 24 Q N -1.123 118.694 119.800 0.027 0.000 2.124 24 Q HA -0.093 4.246 4.340 -0.001 0.000 0.202 24 Q C 1.696 177.717 176.000 0.035 0.000 0.977 24 Q CA 0.988 56.811 55.803 0.033 0.000 0.850 24 Q CB -0.223 28.538 28.738 0.038 0.000 0.901 24 Q HN 0.453 nan 8.270 nan 0.000 0.429 25 L N -0.931 120.313 121.223 0.035 0.000 2.456 25 L HA -0.008 4.332 4.340 -0.001 0.000 0.224 25 L C 1.401 178.290 176.870 0.032 0.000 1.148 25 L CA 1.961 56.827 54.840 0.043 0.000 0.825 25 L CB -0.721 41.353 42.059 0.025 0.000 0.937 25 L HN 0.465 nan 8.230 nan 0.000 0.450 26 G N -1.552 107.264 108.800 0.026 0.000 2.168 26 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.197 26 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.197 26 G C 0.276 175.192 174.900 0.026 0.000 0.997 26 G CA -0.073 45.042 45.100 0.025 0.000 0.658 26 G HN 0.243 nan 8.290 nan 0.000 0.513 27 L N 0.478 121.716 121.223 0.024 0.000 2.371 27 L HA 0.526 4.866 4.340 -0.001 0.000 0.272 27 L C 0.839 177.742 176.870 0.055 0.000 1.124 27 L CA -0.963 53.900 54.840 0.037 0.000 0.816 27 L CB 1.017 43.095 42.059 0.031 0.000 1.129 27 L HN 0.040 nan 8.230 nan 0.000 0.448 28 K N 2.263 122.718 120.400 0.092 0.000 2.378 28 K HA 0.188 4.508 4.320 -0.001 0.000 0.288 28 K C -0.753 175.963 176.600 0.192 0.000 1.057 28 K CA 0.192 56.572 56.287 0.156 0.000 0.971 28 K CB 0.313 32.934 32.500 0.201 0.000 0.975 28 K HN 0.574 nan 8.250 nan 0.000 0.475 29 T N 2.602 117.192 114.554 0.061 0.000 2.863 29 T HA 0.812 5.162 4.350 -0.001 0.000 0.285 29 T C -1.126 173.368 174.700 -0.344 0.000 1.009 29 T CA -0.751 61.291 62.100 -0.097 0.000 0.989 29 T CB 1.774 70.582 68.868 -0.100 0.000 1.004 29 T HN 0.599 nan 8.240 nan 0.000 0.455 30 A N 0.835 123.354 122.820 -0.501 0.000 2.498 30 A HA 0.810 5.129 4.320 -0.001 0.000 0.298 30 A C -0.885 176.531 177.584 -0.280 0.000 1.075 30 A CA -0.781 50.914 52.037 -0.570 0.000 0.714 30 A CB 1.455 19.933 19.000 -0.870 0.000 1.299 30 A HN 1.036 nan 8.150 nan 0.000 0.407 31 C N 2.199 121.386 119.300 -0.188 0.000 2.609 31 C HA 0.823 5.283 4.460 -0.001 0.000 0.313 31 C C -1.102 173.928 174.990 0.066 0.000 1.175 31 C CA -0.551 58.425 59.018 -0.071 0.000 1.434 31 C CB -0.178 27.487 27.740 -0.125 0.000 2.005 31 C HN 0.729 nan 8.230 nan 0.000 0.471 32 I N 4.058 124.688 120.570 0.100 0.000 2.493 32 I HA 0.671 4.841 4.170 -0.001 0.000 0.298 32 I C -0.614 175.570 176.117 0.112 0.000 0.998 32 I CA 0.085 61.468 61.300 0.138 0.000 1.137 32 I CB 1.876 39.929 38.000 0.088 0.000 1.310 32 I HN 0.723 nan 8.210 nan 0.000 0.445 33 E N 4.812 125.086 120.200 0.124 0.000 2.381 33 E HA 0.251 4.601 4.350 -0.001 0.000 0.286 33 E C -0.973 175.697 176.600 0.117 0.000 0.960 33 E CA -0.770 55.700 56.400 0.117 0.000 0.793 33 E CB 1.332 31.120 29.700 0.146 0.000 1.225 33 E HN 0.579 nan 8.360 nan 0.000 0.420 34 K N 3.203 123.671 120.400 0.114 0.000 2.402 34 K HA 0.148 4.467 4.320 -0.001 0.000 0.204 34 K C -0.271 176.398 176.600 0.115 0.000 1.056 34 K CA -0.458 55.894 56.287 0.109 0.000 1.069 34 K CB 0.246 32.808 32.500 0.103 0.000 0.888 34 K HN 0.388 nan 8.250 nan 0.000 0.546 35 Y N 2.441 122.761 120.300 0.033 0.000 2.587 35 Y HA 0.298 4.848 4.550 -0.000 0.000 0.344 35 Y C 0.034 175.947 175.900 0.021 0.000 1.061 35 Y CA -0.753 57.361 58.100 0.024 0.000 1.370 35 Y CB 0.146 38.617 38.460 0.018 0.000 1.163 35 Y HN 0.133 nan 8.280 nan 0.000 0.527 36 I N 6.221 126.542 120.570 -0.415 0.000 2.379 36 I HA 0.552 4.722 4.170 -0.001 0.000 0.290 36 I C 1.062 176.780 176.117 -0.665 0.000 1.063 36 I CA 0.170 61.266 61.300 -0.339 0.000 1.351 36 I CB -0.245 37.632 38.000 -0.204 0.000 1.410 36 I HN 0.944 nan 8.210 nan 0.000 0.505 37 G N 3.510 112.065 108.800 -0.408 0.000 2.597 37 G HA2 0.161 4.120 3.960 -0.001 0.000 0.194 37 G HA3 0.161 4.120 3.960 -0.001 0.000 0.194 37 G C 1.033 175.830 174.900 -0.172 0.000 1.625 37 G CA 0.730 45.667 45.100 -0.271 0.000 1.050 37 G HN 0.865 nan 8.290 nan 0.000 0.531 38 K N -0.607 119.774 120.400 -0.032 0.000 2.354 38 K HA 0.302 4.621 4.320 -0.001 0.000 0.194 38 K C 1.726 178.314 176.600 -0.020 0.000 1.045 38 K CA 1.196 57.475 56.287 -0.013 0.000 1.026 38 K CB 0.465 32.982 32.500 0.028 0.000 0.866 38 K HN 0.431 nan 8.250 nan 0.000 0.530 39 E N -0.063 120.123 120.200 -0.023 0.000 2.542 39 E HA 0.382 4.732 4.350 -0.001 0.000 0.224 39 E C 0.955 177.537 176.600 -0.030 0.000 1.110 39 E CA 0.161 56.549 56.400 -0.020 0.000 1.350 39 E CB -0.992 28.700 29.700 -0.012 0.000 1.302 39 E HN 0.346 nan 8.360 nan 0.000 0.435 40 G N -0.666 108.106 108.800 -0.047 0.000 2.674 40 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.236 40 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.236 40 G C 1.211 176.081 174.900 -0.050 0.000 1.178 40 G CA 1.250 46.321 45.100 -0.049 0.000 0.721 40 G HN 1.554 nan 8.290 nan 0.000 0.515 41 K N 0.277 120.655 120.400 -0.037 0.000 2.168 41 K HA 0.914 5.234 4.320 -0.001 0.000 0.258 41 K C 0.917 177.496 176.600 -0.034 0.000 1.010 41 K CA 0.414 56.685 56.287 -0.027 0.000 0.929 41 K CB -0.023 32.468 32.500 -0.014 0.000 0.998 41 K HN 1.985 nan 8.250 nan 0.000 0.479 42 V N -0.003 119.904 119.914 -0.013 0.000 2.763 42 V HA 0.500 4.620 4.120 -0.001 0.000 0.306 42 V C 0.749 176.868 176.094 0.042 0.000 1.059 42 V CA 0.289 62.593 62.300 0.008 0.000 1.138 42 V CB 0.128 31.978 31.823 0.046 0.000 0.940 42 V HN 1.364 nan 8.190 nan 0.000 0.489 43 A N 5.873 128.764 122.820 0.120 0.000 2.273 43 A HA 0.752 5.072 4.320 -0.001 0.000 0.315 43 A C -0.140 177.533 177.584 0.149 0.000 1.256 43 A CA -0.495 51.640 52.037 0.164 0.000 0.851 43 A CB 0.364 19.552 19.000 0.313 0.000 1.172 43 A HN 0.914 nan 8.150 nan 0.000 0.508 44 L N 1.713 122.947 121.223 0.017 0.000 2.476 44 L HA 0.541 4.881 4.340 -0.001 0.000 0.255 44 L C 1.650 178.455 176.870 -0.107 0.000 1.218 44 L CA 1.094 55.901 54.840 -0.056 0.000 0.819 44 L CB 0.433 42.361 42.059 -0.217 0.000 1.119 44 L HN 1.127 nan 8.230 nan 0.000 0.485 45 G N -0.669 108.074 108.800 -0.096 0.000 2.284 45 G HA2 0.032 3.992 3.960 -0.001 0.000 0.216 45 G HA3 0.032 3.992 3.960 -0.001 0.000 0.216 45 G C 0.624 175.535 174.900 0.018 0.000 1.009 45 G CA -0.205 44.872 45.100 -0.039 0.000 0.625 45 G HN 1.538 nan 8.290 nan 0.000 0.501 46 G N -1.060 107.695 108.800 -0.076 0.000 2.593 46 G HA2 0.018 3.977 3.960 -0.001 0.000 0.237 46 G HA3 0.018 3.977 3.960 -0.001 0.000 0.237 46 G C 0.934 175.688 174.900 -0.242 0.000 1.312 46 G CA 1.203 46.217 45.100 -0.143 0.000 0.896 46 G HN 1.361 nan 8.290 nan 0.000 0.574 47 T N -0.369 114.078 114.554 -0.179 0.000 2.674 47 T HA -0.196 4.154 4.350 -0.001 0.000 0.265 47 T C 2.468 177.100 174.700 -0.113 0.000 1.039 47 T CA 2.626 64.630 62.100 -0.160 0.000 1.150 47 T CB -0.819 67.991 68.868 -0.098 0.000 0.864 47 T HN 1.106 nan 8.240 nan 0.000 0.427 48 c N 1.131 119.688 118.600 -0.071 0.000 2.367 48 c HA -0.094 4.476 4.570 -0.001 0.000 0.276 48 c C 2.570 176.629 174.090 -0.053 0.000 1.195 48 c CA 1.034 57.334 56.329 -0.047 0.000 1.756 48 c CB -1.336 41.164 42.510 -0.017 0.000 2.046 48 c HN 0.526 nan 8.230 nan 0.000 0.453 49 L N 0.701 121.897 121.223 -0.045 0.000 2.313 49 L HA 0.119 4.458 4.340 -0.001 0.000 0.214 49 L C 1.727 178.552 176.870 -0.075 0.000 1.119 49 L CA 1.917 56.726 54.840 -0.052 0.000 0.809 49 L CB -0.707 41.325 42.059 -0.044 0.000 0.933 49 L HN 0.439 nan 8.230 nan 0.000 0.449 50 N N -2.055 116.573 118.700 -0.119 0.000 2.463 50 N HA 0.082 4.822 4.740 -0.001 0.000 0.183 50 N C 0.647 176.116 175.510 -0.069 0.000 1.064 50 N CA 0.922 53.912 53.050 -0.101 0.000 0.879 50 N CB 0.860 39.219 38.487 -0.212 0.000 1.148 50 N HN 0.209 nan 8.380 nan 0.000 0.451 51 V N -3.859 115.996 119.914 -0.098 0.000 3.265 51 V HA 0.672 4.792 4.120 -0.001 0.000 0.346 51 V C 0.512 176.570 176.094 -0.060 0.000 1.447 51 V CA -0.182 62.083 62.300 -0.058 0.000 1.179 51 V CB 0.398 32.194 31.823 -0.045 0.000 1.103 51 V HN 0.127 nan 8.190 nan 0.000 0.530 52 G N -0.185 108.574 108.800 -0.068 0.000 3.244 52 G HA2 0.222 4.182 3.960 -0.001 0.000 0.197 52 G HA3 0.222 4.182 3.960 -0.001 0.000 0.197 52 G C 1.006 175.863 174.900 -0.072 0.000 1.531 52 G CA 0.691 45.754 45.100 -0.061 0.000 0.747 52 G HN 0.240 nan 8.290 nan 0.000 0.763 53 c N 0.367 118.923 118.600 -0.074 0.000 2.383 53 c HA -0.149 4.420 4.570 -0.001 0.000 0.280 53 c C 2.739 176.746 174.090 -0.137 0.000 1.172 53 c CA 1.106 57.370 56.329 -0.108 0.000 1.785 53 c CB -1.347 41.116 42.510 -0.078 0.000 1.959 53 c HN 0.448 nan 8.230 nan 0.000 0.424 54 I N 2.129 122.635 120.570 -0.105 0.000 2.091 54 I HA -0.121 4.049 4.170 -0.001 0.000 0.239 54 I C -0.373 175.686 176.117 -0.098 0.000 1.061 54 I CA 2.037 63.275 61.300 -0.105 0.000 1.317 54 I CB -1.832 36.124 38.000 -0.073 0.000 1.031 54 I HN 0.251 nan 8.210 nan 0.000 0.401 55 P HA -0.189 nan 4.420 nan 0.000 0.215 55 P C 1.955 179.208 177.300 -0.078 0.000 1.157 55 P CA 2.468 65.530 63.100 -0.062 0.000 0.874 55 P CB -0.269 31.405 31.700 -0.043 0.000 0.790 56 S N -0.925 114.722 115.700 -0.088 0.000 2.348 56 S HA -0.174 4.295 4.470 -0.001 0.000 0.221 56 S C 1.953 176.474 174.600 -0.132 0.000 1.033 56 S CA 1.236 59.378 58.200 -0.096 0.000 1.010 56 S CB -1.125 62.026 63.200 -0.082 0.000 0.891 56 S HN -0.096 nan 8.310 nan 0.000 0.442 57 K N 2.473 122.759 120.400 -0.191 0.000 2.044 57 K HA 0.132 4.451 4.320 -0.001 0.000 0.210 57 K C 2.397 178.917 176.600 -0.134 0.000 1.049 57 K CA 1.677 57.831 56.287 -0.221 0.000 0.927 57 K CB -1.409 30.915 32.500 -0.293 0.000 0.713 57 K HN 0.539 nan 8.250 nan 0.000 0.443 58 A N 0.436 123.191 122.820 -0.109 0.000 1.969 58 A HA -0.087 4.233 4.320 -0.001 0.000 0.218 58 A C 2.172 179.708 177.584 -0.079 0.000 1.169 58 A CA 1.205 53.196 52.037 -0.077 0.000 0.635 58 A CB -0.494 18.469 19.000 -0.062 0.000 0.810 58 A HN 0.205 nan 8.150 nan 0.000 0.445 59 L N -0.821 120.340 121.223 -0.103 0.000 2.072 59 L HA -0.112 4.227 4.340 -0.001 0.000 0.205 59 L C 2.528 179.310 176.870 -0.147 0.000 1.079 59 L CA 0.820 55.571 54.840 -0.147 0.000 0.752 59 L CB -0.675 41.254 42.059 -0.217 0.000 0.906 59 L HN 0.368 nan 8.230 nan 0.000 0.436 60 L N -0.109 121.043 121.223 -0.117 0.000 2.043 60 L HA -0.275 4.065 4.340 -0.001 0.000 0.212 60 L C 2.323 179.189 176.870 -0.007 0.000 1.075 60 L CA 1.359 56.158 54.840 -0.069 0.000 0.752 60 L CB -0.560 41.472 42.059 -0.045 0.000 0.891 60 L HN 0.322 nan 8.230 nan 0.000 0.432 61 D N -0.556 119.842 120.400 -0.005 0.000 2.084 61 D HA -0.131 4.508 4.640 -0.001 0.000 0.196 61 D C 2.374 178.704 176.300 0.050 0.000 0.985 61 D CA 1.535 55.563 54.000 0.047 0.000 0.826 61 D CB -0.230 40.582 40.800 0.019 0.000 0.978 61 D HN 0.147 nan 8.370 nan 0.000 0.456 62 S N 0.594 116.292 115.700 -0.004 0.000 2.370 62 S HA -0.171 4.299 4.470 -0.001 0.000 0.226 62 S C 2.197 176.792 174.600 -0.008 0.000 1.033 62 S CA 1.572 59.764 58.200 -0.013 0.000 1.011 62 S CB -0.378 62.795 63.200 -0.046 0.000 0.852 62 S HN 0.390 nan 8.310 nan 0.000 0.457 63 S N 0.928 116.604 115.700 -0.039 0.000 2.368 63 S HA -0.144 4.326 4.470 -0.001 0.000 0.224 63 S C 1.735 176.381 174.600 0.076 0.000 1.029 63 S CA 0.997 59.182 58.200 -0.025 0.000 0.988 63 S CB -0.881 62.239 63.200 -0.135 0.000 0.838 63 S HN 0.496 nan 8.310 nan 0.000 0.462 64 Y N 3.049 123.319 120.300 -0.050 0.000 2.097 64 Y HA -0.108 4.442 4.550 -0.001 0.000 0.282 64 Y C 2.272 178.157 175.900 -0.025 0.000 1.152 64 Y CA 1.677 59.739 58.100 -0.063 0.000 1.136 64 Y CB -0.516 37.882 38.460 -0.104 0.000 0.975 64 Y HN 0.197 nan 8.280 nan 0.000 0.498 65 K N -1.409 118.899 120.400 -0.153 0.000 2.097 65 K HA -0.259 4.061 4.320 -0.001 0.000 0.206 65 K C 2.047 178.493 176.600 -0.257 0.000 1.049 65 K CA 1.743 57.885 56.287 -0.240 0.000 0.933 65 K CB -0.716 31.738 32.500 -0.077 0.000 0.717 65 K HN 0.434 nan 8.250 nan 0.000 0.442 66 Y N 1.170 121.334 120.300 -0.226 0.000 2.181 66 Y HA -0.302 4.247 4.550 -0.000 0.000 0.288 66 Y C 2.418 178.187 175.900 -0.218 0.000 1.146 66 Y CA 2.066 60.045 58.100 -0.200 0.000 1.164 66 Y CB -0.519 37.874 38.460 -0.111 0.000 0.982 66 Y HN 0.204 nan 8.280 nan 0.000 0.515 67 H N -0.288 118.573 119.070 -0.348 0.000 2.357 67 H HA -0.111 4.445 4.556 -0.001 0.000 0.301 67 H C 2.299 177.308 175.328 -0.532 0.000 1.082 67 H CA 2.112 57.916 56.048 -0.407 0.000 1.342 67 H CB -0.207 29.414 29.762 -0.235 0.000 1.389 67 H HN 0.533 nan 8.280 nan 0.000 0.511 68 E N -0.083 119.769 120.200 -0.580 0.000 2.031 68 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 68 E C 2.312 178.444 176.600 -0.781 0.000 0.994 68 E CA 0.978 57.020 56.400 -0.597 0.000 0.800 68 E CB -0.315 29.023 29.700 -0.604 0.000 0.752 68 E HN 0.593 nan 8.360 nan 0.000 0.447 69 A N 0.353 122.487 122.820 -1.143 0.000 2.084 69 A HA -0.236 4.084 4.320 -0.001 0.000 0.221 69 A C 2.200 179.338 177.584 -0.743 0.000 1.161 69 A CA 2.510 53.648 52.037 -1.498 0.000 0.653 69 A CB -0.757 17.630 19.000 -1.022 0.000 0.802 69 A HN 0.317 nan 8.150 nan 0.000 0.457 70 K N -1.004 119.009 120.400 -0.645 0.000 2.348 70 K HA 0.192 4.512 4.320 -0.001 0.000 0.194 70 K C 1.472 177.859 176.600 -0.355 0.000 1.052 70 K CA 1.003 57.011 56.287 -0.466 0.000 1.004 70 K CB 0.018 32.170 32.500 -0.579 0.000 0.873 70 K HN 0.503 nan 8.250 nan 0.000 0.523 71 E N -1.216 118.727 120.200 -0.428 0.000 2.485 71 E HA 0.272 4.621 4.350 -0.001 0.000 0.213 71 E C 0.799 177.303 176.600 -0.161 0.000 0.923 71 E CA 0.883 57.091 56.400 -0.321 0.000 1.054 71 E CB 1.618 31.012 29.700 -0.510 0.000 1.077 71 E HN 0.415 nan 8.360 nan 0.000 0.509 72 A N -0.190 122.577 122.820 -0.089 0.000 2.605 72 A HA 0.259 4.578 4.320 -0.001 0.000 0.292 72 A C 0.611 178.396 177.584 0.334 0.000 1.055 72 A CA -0.350 51.739 52.037 0.086 0.000 0.969 72 A CB -0.112 18.936 19.000 0.080 0.000 1.236 72 A HN -0.017 nan 8.150 nan 0.000 0.534 73 F N 0.624 120.572 119.950 -0.004 0.000 2.473 73 F HA 0.162 4.689 4.527 -0.000 0.000 0.294 73 F C 2.044 177.890 175.800 0.077 0.000 1.103 73 F CA 1.053 59.087 58.000 0.056 0.000 1.442 73 F CB 0.080 39.054 39.000 -0.044 0.000 1.097 73 F HN 0.343 nan 8.300 nan 0.000 0.547 74 K N 0.620 121.113 120.400 0.155 0.000 2.155 74 K HA -0.091 4.229 4.320 -0.001 0.000 0.203 74 K C 1.991 178.593 176.600 0.004 0.000 1.052 74 K CA 1.358 57.680 56.287 0.058 0.000 0.948 74 K CB -0.125 32.395 32.500 0.034 0.000 0.728 74 K HN 0.167 nan 8.250 nan 0.000 0.448 75 V N -1.073 118.820 119.914 -0.036 0.000 2.867 75 V HA -0.155 3.965 4.120 -0.001 0.000 0.260 75 V C 1.351 177.300 176.094 -0.242 0.000 1.099 75 V CA 1.504 63.716 62.300 -0.147 0.000 1.122 75 V CB -0.794 30.897 31.823 -0.219 0.000 0.708 75 V HN 0.359 nan 8.190 nan 0.000 0.490 76 H N 0.887 119.922 119.070 -0.059 0.000 2.551 76 H HA 0.363 4.919 4.556 -0.001 0.000 0.271 76 H C 1.914 177.182 175.328 -0.100 0.000 0.984 76 H CA 0.588 56.581 56.048 -0.093 0.000 1.164 76 H CB 0.573 30.238 29.762 -0.163 0.000 1.437 76 H HN 0.661 nan 8.280 nan 0.000 0.550 77 G N 1.688 110.489 108.800 0.002 0.000 2.160 77 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.244 77 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.244 77 G C 0.004 174.883 174.900 -0.035 0.000 1.022 77 G CA 0.002 45.093 45.100 -0.016 0.000 0.741 77 G HN 0.320 nan 8.290 nan 0.000 0.508 78 I N -0.023 120.512 120.570 -0.059 0.000 2.377 78 I HA 0.579 4.748 4.170 -0.001 0.000 0.293 78 I C 0.019 176.136 176.117 0.000 0.000 0.987 78 I CA -0.746 60.489 61.300 -0.108 0.000 1.185 78 I CB 1.947 39.717 38.000 -0.384 0.000 1.341 78 I HN 0.123 nan 8.210 nan 0.000 0.455 79 E N 4.781 124.995 120.200 0.023 0.000 2.216 79 E HA 0.625 4.974 4.350 -0.001 0.000 0.260 79 E C -1.112 175.531 176.600 0.072 0.000 0.880 79 E CA -0.560 55.875 56.400 0.059 0.000 0.765 79 E CB 1.724 31.442 29.700 0.030 0.000 1.174 79 E HN 0.664 nan 8.360 nan 0.000 0.417 80 A N 3.474 126.361 122.820 0.111 0.000 2.252 80 A HA 0.618 4.937 4.320 -0.001 0.000 0.309 80 A C -0.080 177.530 177.584 0.044 0.000 1.285 80 A CA -0.406 51.685 52.037 0.091 0.000 0.900 80 A CB 0.323 19.391 19.000 0.113 0.000 1.157 80 A HN 0.594 nan 8.150 nan 0.000 0.536 81 K N 2.042 122.462 120.400 0.033 0.000 2.349 81 K HA 0.537 4.857 4.320 -0.001 0.000 0.289 81 K C 0.888 177.499 176.600 0.019 0.000 1.064 81 K CA 0.055 56.355 56.287 0.021 0.000 0.947 81 K CB -0.148 32.363 32.500 0.019 0.000 1.007 81 K HN 2.535 nan 8.250 nan 0.000 0.478 82 G N 1.339 110.147 108.800 0.012 0.000 2.269 82 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.237 82 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.237 82 G C 0.071 174.987 174.900 0.025 0.000 0.761 82 G CA 0.118 45.227 45.100 0.016 0.000 1.141 82 G HN 1.618 nan 8.290 nan 0.000 0.319 83 V N 3.945 123.867 119.914 0.014 0.000 2.509 83 V HA 0.899 5.018 4.120 -0.001 0.000 0.284 83 V C 0.852 177.037 176.094 0.151 0.000 1.047 83 V CA 0.622 62.947 62.300 0.042 0.000 0.952 83 V CB 1.708 33.501 31.823 -0.050 0.000 0.988 83 V HN 1.403 nan 8.190 nan 0.000 0.469 84 T N 4.373 119.030 114.554 0.173 0.000 2.901 84 T HA 0.700 5.049 4.350 -0.001 0.000 0.293 84 T C -0.850 173.909 174.700 0.099 0.000 1.084 84 T CA -0.680 61.526 62.100 0.178 0.000 1.008 84 T CB 1.854 70.770 68.868 0.080 0.000 1.170 84 T HN 0.642 nan 8.240 nan 0.000 0.509 85 I N 1.277 121.793 120.570 -0.090 0.000 2.433 85 I HA 0.513 4.682 4.170 -0.001 0.000 0.292 85 I C -1.276 174.778 176.117 -0.106 0.000 1.001 85 I CA -0.771 60.403 61.300 -0.210 0.000 1.119 85 I CB 1.759 39.368 38.000 -0.651 0.000 1.289 85 I HN 0.764 nan 8.210 nan 0.000 0.438 86 D N 6.507 126.873 120.400 -0.055 0.000 2.467 86 D HA 0.189 4.828 4.640 -0.001 0.000 0.220 86 D C 0.994 177.292 176.300 -0.004 0.000 1.103 86 D CA -0.146 53.844 54.000 -0.017 0.000 0.886 86 D CB 1.090 41.888 40.800 -0.003 0.000 1.025 86 D HN 0.373 nan 8.370 nan 0.000 0.514 87 V N 5.566 125.492 119.914 0.021 0.000 2.282 87 V HA -0.186 3.934 4.120 -0.001 0.000 0.249 87 V C -0.670 175.478 176.094 0.090 0.000 1.057 87 V CA 1.537 63.888 62.300 0.085 0.000 1.032 87 V CB -1.351 30.578 31.823 0.176 0.000 0.645 87 V HN 0.495 nan 8.190 nan 0.000 0.447 88 P HA -0.279 nan 4.420 nan 0.000 0.219 88 P C 1.681 179.005 177.300 0.041 0.000 1.158 88 P CA 2.593 65.726 63.100 0.055 0.000 0.895 88 P CB -0.181 31.541 31.700 0.038 0.000 0.792 89 A N -1.673 121.162 122.820 0.026 0.000 1.968 89 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 89 A C 2.236 179.828 177.584 0.012 0.000 1.169 89 A CA 1.494 53.541 52.037 0.016 0.000 0.638 89 A CB -1.322 17.683 19.000 0.009 0.000 0.812 89 A HN 0.149 nan 8.150 nan 0.000 0.446 90 M N -0.180 119.427 119.600 0.012 0.000 2.067 90 M HA -0.139 4.340 4.480 -0.001 0.000 0.260 90 M C 1.886 178.193 176.300 0.012 0.000 1.069 90 M CA 2.192 57.492 55.300 -0.001 0.000 1.117 90 M CB -0.237 32.352 32.600 -0.018 0.000 1.334 90 M HN 0.185 nan 8.290 nan 0.000 0.407 91 V N 1.013 120.955 119.914 0.046 0.000 2.407 91 V HA -0.243 3.877 4.120 -0.001 0.000 0.248 91 V C 2.714 178.829 176.094 0.035 0.000 1.055 91 V CA 1.853 64.188 62.300 0.059 0.000 1.049 91 V CB -1.630 30.256 31.823 0.104 0.000 0.662 91 V HN 0.675 nan 8.190 nan 0.000 0.455 92 A N -0.007 122.831 122.820 0.030 0.000 1.940 92 A HA -0.268 4.052 4.320 -0.001 0.000 0.219 92 A C 2.435 180.025 177.584 0.010 0.000 1.176 92 A CA 2.053 54.102 52.037 0.020 0.000 0.631 92 A CB -0.596 18.414 19.000 0.017 0.000 0.814 92 A HN 0.482 nan 8.150 nan 0.000 0.446 93 R N -0.047 120.456 120.500 0.005 0.000 2.120 93 R HA -0.153 4.187 4.340 -0.001 0.000 0.234 93 R C 2.274 178.570 176.300 -0.008 0.000 1.123 93 R CA 1.750 57.848 56.100 -0.003 0.000 0.975 93 R CB -0.238 30.058 30.300 -0.006 0.000 0.866 93 R HN 0.599 nan 8.270 nan 0.000 0.446 94 K N 0.197 120.593 120.400 -0.007 0.000 2.026 94 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 94 K C 1.933 178.528 176.600 -0.008 0.000 1.048 94 K CA 1.503 57.783 56.287 -0.013 0.000 0.929 94 K CB -0.238 32.256 32.500 -0.009 0.000 0.713 94 K HN 0.201 nan 8.250 nan 0.000 0.439 95 A N 1.467 124.288 122.820 0.003 0.000 1.892 95 A HA -0.266 4.054 4.320 -0.001 0.000 0.218 95 A C 1.885 179.469 177.584 0.000 0.000 1.188 95 A CA 2.259 54.301 52.037 0.008 0.000 0.631 95 A CB -1.036 17.972 19.000 0.014 0.000 0.822 95 A HN 0.566 nan 8.150 nan 0.000 0.447 96 N N -0.493 118.205 118.700 -0.003 0.000 2.104 96 N HA -0.110 4.630 4.740 -0.001 0.000 0.190 96 N C 1.554 177.055 175.510 -0.015 0.000 1.024 96 N CA 1.760 54.805 53.050 -0.008 0.000 0.853 96 N CB -0.314 38.169 38.487 -0.007 0.000 1.008 96 N HN 0.571 nan 8.380 nan 0.000 0.424 97 I N -0.566 119.993 120.570 -0.019 0.000 2.202 97 I HA -0.224 3.946 4.170 -0.001 0.000 0.242 97 I C 1.960 178.058 176.117 -0.031 0.000 1.091 97 I CA 0.619 61.903 61.300 -0.027 0.000 1.368 97 I CB -0.257 37.724 38.000 -0.030 0.000 1.058 97 I HN 0.000 nan 8.210 nan 0.000 0.410 98 V N 1.181 121.079 119.914 -0.027 0.000 2.252 98 V HA -0.383 3.737 4.120 -0.001 0.000 0.249 98 V C 2.579 178.658 176.094 -0.026 0.000 1.056 98 V CA 2.269 64.553 62.300 -0.026 0.000 1.022 98 V CB -0.709 31.108 31.823 -0.011 0.000 0.641 98 V HN 0.438 nan 8.190 nan 0.000 0.445 99 K N 0.072 120.462 120.400 -0.017 0.000 2.044 99 K HA -0.276 4.044 4.320 -0.001 0.000 0.210 99 K C 1.845 178.425 176.600 -0.033 0.000 1.049 99 K CA 2.488 58.764 56.287 -0.018 0.000 0.927 99 K CB -0.283 32.210 32.500 -0.012 0.000 0.713 99 K HN 0.585 nan 8.250 nan 0.000 0.443 100 N N -0.108 118.572 118.700 -0.034 0.000 2.270 100 N HA -0.095 4.645 4.740 -0.001 0.000 0.181 100 N C 1.421 176.895 175.510 -0.059 0.000 1.016 100 N CA 0.497 53.522 53.050 -0.042 0.000 0.870 100 N CB 0.095 38.561 38.487 -0.035 0.000 0.979 100 N HN 0.051 nan 8.380 nan 0.000 0.431 101 L N 0.575 121.758 121.223 -0.066 0.000 2.068 101 L HA -0.006 4.334 4.340 -0.001 0.000 0.204 101 L C 2.191 178.980 176.870 -0.135 0.000 1.076 101 L CA 1.560 56.344 54.840 -0.093 0.000 0.753 101 L CB -1.433 40.577 42.059 -0.082 0.000 0.910 101 L HN 0.121 nan 8.230 nan 0.000 0.439 102 T N -0.223 114.263 114.554 -0.114 0.000 2.592 102 T HA -0.260 4.090 4.350 -0.001 0.000 0.267 102 T C 1.711 176.324 174.700 -0.146 0.000 1.060 102 T CA 1.927 63.952 62.100 -0.124 0.000 1.167 102 T CB -0.652 68.182 68.868 -0.056 0.000 0.863 102 T HN 0.543 nan 8.240 nan 0.000 0.431 103 G N 0.150 108.888 108.800 -0.103 0.000 2.432 103 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.219 103 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.219 103 G C 1.662 176.489 174.900 -0.122 0.000 1.135 103 G CA 1.119 46.162 45.100 -0.095 0.000 0.767 103 G HN 0.612 nan 8.290 nan 0.000 0.550 104 G N 1.438 110.157 108.800 -0.136 0.000 2.418 104 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.217 104 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.217 104 G C 1.793 176.562 174.900 -0.219 0.000 1.158 104 G CA 1.182 46.197 45.100 -0.143 0.000 0.771 104 G HN 0.696 nan 8.290 nan 0.000 0.545 105 I N -0.127 120.234 120.570 -0.347 0.000 2.617 105 I HA 0.333 4.502 4.170 -0.001 0.000 0.256 105 I C 2.686 178.456 176.117 -0.578 0.000 1.167 105 I CA 1.252 62.214 61.300 -0.563 0.000 1.469 105 I CB -0.225 37.188 38.000 -0.978 0.000 1.098 105 I HN 0.117 nan 8.210 nan 0.000 0.436 106 A N 1.668 124.257 122.820 -0.385 0.000 1.873 106 A HA -0.243 4.077 4.320 -0.001 0.000 0.218 106 A C 2.420 179.954 177.584 -0.084 0.000 1.193 106 A CA 3.034 54.949 52.037 -0.204 0.000 0.629 106 A CB -1.806 17.128 19.000 -0.109 0.000 0.826 106 A HN 0.633 nan 8.150 nan 0.000 0.447 107 T N -1.518 112.985 114.554 -0.085 0.000 2.881 107 T HA -0.084 4.266 4.350 -0.001 0.000 0.270 107 T C 1.626 176.321 174.700 -0.007 0.000 1.068 107 T CA 1.294 63.375 62.100 -0.032 0.000 1.131 107 T CB -0.281 68.563 68.868 -0.039 0.000 0.871 107 T HN 0.115 nan 8.240 nan 0.000 0.479 108 L N -0.086 121.104 121.223 -0.054 0.000 2.056 108 L HA 0.183 4.523 4.340 -0.001 0.000 0.207 108 L C 2.186 179.149 176.870 0.156 0.000 1.078 108 L CA 1.089 55.930 54.840 0.003 0.000 0.749 108 L CB -1.298 40.711 42.059 -0.085 0.000 0.901 108 L HN 0.148 nan 8.230 nan 0.000 0.433 109 F N 0.328 120.249 119.950 -0.048 0.000 2.075 109 F HA -0.188 4.338 4.527 -0.001 0.000 0.297 109 F C 2.372 178.151 175.800 -0.036 0.000 1.113 109 F CA 1.092 59.069 58.000 -0.038 0.000 1.218 109 F CB -0.872 38.095 39.000 -0.055 0.000 0.984 109 F HN 0.088 nan 8.300 nan 0.000 0.472 110 K N 0.262 120.765 120.400 0.172 0.000 2.097 110 K HA -0.030 4.289 4.320 -0.001 0.000 0.205 110 K C 2.201 178.832 176.600 0.052 0.000 1.050 110 K CA 1.110 57.442 56.287 0.074 0.000 0.938 110 K CB -1.175 31.352 32.500 0.045 0.000 0.718 110 K HN 0.193 nan 8.250 nan 0.000 0.442 111 A N 1.810 124.666 122.820 0.058 0.000 1.972 111 A HA -0.135 4.185 4.320 -0.001 0.000 0.219 111 A C 1.812 179.422 177.584 0.043 0.000 1.169 111 A CA 1.428 53.490 52.037 0.041 0.000 0.635 111 A CB -0.264 18.758 19.000 0.037 0.000 0.810 111 A HN 0.279 nan 8.150 nan 0.000 0.446 112 N N -1.031 117.706 118.700 0.062 0.000 2.373 112 N HA 0.120 4.859 4.740 -0.001 0.000 0.181 112 N C 0.804 176.325 175.510 0.018 0.000 1.082 112 N CA 0.976 54.055 53.050 0.048 0.000 0.885 112 N CB 0.410 38.943 38.487 0.077 0.000 0.977 112 N HN 0.605 nan 8.380 nan 0.000 0.462 113 G N 0.904 109.707 108.800 0.006 0.000 2.414 113 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.256 113 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.256 113 G C -0.565 174.291 174.900 -0.073 0.000 1.128 113 G CA -0.291 44.798 45.100 -0.018 0.000 0.944 113 G HN 0.098 nan 8.290 nan 0.000 0.500 114 V N 0.561 120.395 119.914 -0.134 0.000 2.459 114 V HA 0.654 4.773 4.120 -0.001 0.000 0.295 114 V C 0.698 176.611 176.094 -0.302 0.000 1.029 114 V CA -0.336 61.776 62.300 -0.313 0.000 0.874 114 V CB 1.946 33.365 31.823 -0.672 0.000 0.985 114 V HN 0.397 nan 8.190 nan 0.000 0.438 115 T N 3.620 117.968 114.554 -0.343 0.000 2.727 115 T HA 0.256 4.606 4.350 -0.001 0.000 0.298 115 T C 0.179 174.570 174.700 -0.515 0.000 0.942 115 T CA 0.145 62.012 62.100 -0.389 0.000 0.997 115 T CB 0.959 69.615 68.868 -0.353 0.000 0.917 115 T HN 0.641 nan 8.240 nan 0.000 0.487 116 S N 2.469 117.919 115.700 -0.416 0.000 2.585 116 S HA 0.711 5.181 4.470 -0.001 0.000 0.277 116 S C -1.046 173.273 174.600 -0.469 0.000 1.241 116 S CA -0.621 57.396 58.200 -0.305 0.000 1.041 116 S CB 0.169 63.339 63.200 -0.050 0.000 0.987 116 S HN 0.460 nan 8.310 nan 0.000 0.512 117 F N 1.998 121.934 119.950 -0.023 0.000 2.507 117 F HA 0.364 4.890 4.527 -0.001 0.000 0.328 117 F C 0.112 175.929 175.800 0.029 0.000 1.136 117 F CA -0.763 57.239 58.000 0.004 0.000 0.930 117 F CB 1.817 40.813 39.000 -0.007 0.000 1.166 117 F HN 0.527 nan 8.300 nan 0.000 0.436 118 E N 2.440 122.759 120.200 0.197 0.000 2.081 118 E HA 0.650 4.999 4.350 -0.001 0.000 0.281 118 E C 0.254 176.939 176.600 0.142 0.000 0.986 118 E CA -0.523 55.963 56.400 0.143 0.000 0.796 118 E CB 1.352 31.108 29.700 0.094 0.000 1.085 118 E HN 0.851 nan 8.360 nan 0.000 0.398 119 G N 1.909 110.789 108.800 0.134 0.000 2.324 119 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.293 119 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.293 119 G C -1.662 173.329 174.900 0.153 0.000 1.297 119 G CA -1.005 44.172 45.100 0.129 0.000 0.853 119 G HN 0.519 nan 8.290 nan 0.000 0.535 120 H N 0.126 119.222 119.070 0.042 0.000 2.582 120 H HA 0.618 5.174 4.556 -0.000 0.000 0.345 120 H C 0.318 175.658 175.328 0.022 0.000 1.104 120 H CA 0.795 56.864 56.048 0.035 0.000 1.390 120 H CB 1.144 30.922 29.762 0.027 0.000 1.461 120 H HN 0.895 nan 8.280 nan 0.000 0.551 121 G N 3.562 112.420 108.800 0.095 0.000 2.452 121 G HA2 0.457 4.417 3.960 -0.001 0.000 0.324 121 G HA3 0.457 4.417 3.960 -0.001 0.000 0.324 121 G C -1.194 173.788 174.900 0.136 0.000 1.214 121 G CA -0.758 44.401 45.100 0.099 0.000 0.947 121 G HN 0.641 nan 8.290 nan 0.000 0.478 122 K N 1.615 122.104 120.400 0.148 0.000 2.468 122 K HA 0.489 4.808 4.320 -0.001 0.000 0.252 122 K C -1.583 175.051 176.600 0.057 0.000 0.932 122 K CA -0.887 55.480 56.287 0.135 0.000 0.794 122 K CB 2.257 34.851 32.500 0.156 0.000 1.241 122 K HN 0.362 nan 8.250 nan 0.000 0.428 123 L N 6.171 127.419 121.223 0.042 0.000 2.261 123 L HA 0.384 4.724 4.340 -0.001 0.000 0.289 123 L C -1.222 175.657 176.870 0.016 0.000 1.059 123 L CA -0.085 54.767 54.840 0.019 0.000 0.816 123 L CB 0.403 42.469 42.059 0.011 0.000 1.191 123 L HN 0.632 nan 8.230 nan 0.000 0.431 124 L N 3.979 125.207 121.223 0.008 0.000 2.472 124 L HA 0.715 5.054 4.340 -0.001 0.000 0.256 124 L C 0.924 177.792 176.870 -0.003 0.000 1.111 124 L CA -0.877 53.965 54.840 0.003 0.000 0.800 124 L CB 0.527 42.585 42.059 -0.001 0.000 1.286 124 L HN 0.740 nan 8.230 nan 0.000 0.479 125 A N 0.161 122.978 122.820 -0.005 0.000 2.475 125 A HA 0.097 4.417 4.320 -0.001 0.000 0.239 125 A C 0.612 178.190 177.584 -0.011 0.000 1.087 125 A CA -0.035 51.997 52.037 -0.009 0.000 0.779 125 A CB -0.287 18.708 19.000 -0.009 0.000 1.036 125 A HN 0.915 nan 8.150 nan 0.000 0.506 126 N N -0.507 118.185 118.700 -0.014 0.000 2.708 126 N HA -0.181 4.558 4.740 -0.001 0.000 0.249 126 N C -0.486 175.017 175.510 -0.013 0.000 1.097 126 N CA 1.632 54.673 53.050 -0.014 0.000 0.710 126 N CB -1.559 36.920 38.487 -0.012 0.000 1.032 126 N HN 0.792 nan 8.380 nan 0.000 0.551 127 K N -1.598 118.792 120.400 -0.015 0.000 3.419 127 K HA -0.283 4.037 4.320 -0.001 0.000 0.272 127 K C -0.542 176.058 176.600 -0.000 0.000 0.973 127 K CA 0.896 57.176 56.287 -0.012 0.000 0.749 127 K CB -1.320 31.171 32.500 -0.016 0.000 1.403 127 K HN 0.577 nan 8.250 nan 0.000 0.456 128 Q N -0.008 119.790 119.800 -0.002 0.000 2.365 128 Q HA 0.640 4.980 4.340 -0.001 0.000 0.269 128 Q C -0.548 175.451 176.000 -0.001 0.000 1.061 128 Q CA -1.134 54.668 55.803 -0.000 0.000 0.816 128 Q CB 2.791 31.525 28.738 -0.007 0.000 1.325 128 Q HN 0.093 nan 8.270 nan 0.000 0.446 129 V N 1.078 120.989 119.914 -0.005 0.000 2.555 129 V HA 0.328 4.448 4.120 -0.001 0.000 0.302 129 V C -0.496 175.583 176.094 -0.025 0.000 1.038 129 V CA -0.767 61.528 62.300 -0.009 0.000 0.887 129 V CB 1.697 33.512 31.823 -0.013 0.000 0.991 129 V HN 0.755 nan 8.190 nan 0.000 0.434 130 E N 3.391 123.587 120.200 -0.006 0.000 2.092 130 E HA 0.385 4.734 4.350 -0.001 0.000 0.271 130 E C -1.277 175.326 176.600 0.005 0.000 0.919 130 E CA -0.505 55.888 56.400 -0.012 0.000 0.760 130 E CB 1.741 31.441 29.700 -0.000 0.000 1.106 130 E HN 0.525 nan 8.360 nan 0.000 0.408 131 V N 5.271 125.160 119.914 -0.041 0.000 2.352 131 V HA 0.054 4.174 4.120 -0.001 0.000 0.253 131 V C 0.190 176.293 176.094 0.015 0.000 1.083 131 V CA -0.106 62.181 62.300 -0.021 0.000 0.993 131 V CB 0.494 32.238 31.823 -0.131 0.000 1.111 131 V HN 0.650 nan 8.190 nan 0.000 0.490 132 T N 5.030 119.613 114.554 0.048 0.000 2.775 132 T HA 0.284 4.634 4.350 -0.001 0.000 0.287 132 T C 1.064 175.796 174.700 0.052 0.000 0.909 132 T CA 0.121 62.235 62.100 0.022 0.000 1.081 132 T CB 0.521 69.375 68.868 -0.024 0.000 0.891 132 T HN 0.824 nan 8.240 nan 0.000 0.544 133 G N 1.962 110.790 108.800 0.047 0.000 2.785 133 G HA2 0.155 4.115 3.960 -0.001 0.000 0.256 133 G HA3 0.155 4.115 3.960 -0.001 0.000 0.256 133 G C 1.105 176.040 174.900 0.058 0.000 1.248 133 G CA -0.558 44.582 45.100 0.067 0.000 0.914 133 G HN 0.726 nan 8.290 nan 0.000 0.580 134 L N -0.149 121.110 121.223 0.060 0.000 2.109 134 L HA 0.021 4.361 4.340 -0.001 0.000 0.207 134 L C 1.851 178.739 176.870 0.029 0.000 1.086 134 L CA 1.159 56.026 54.840 0.045 0.000 0.760 134 L CB -0.224 41.861 42.059 0.043 0.000 0.910 134 L HN 0.682 nan 8.230 nan 0.000 0.437 135 D N -0.387 120.030 120.400 0.029 0.000 2.870 135 D HA 0.053 4.692 4.640 -0.001 0.000 0.241 135 D C 1.256 177.565 176.300 0.016 0.000 1.234 135 D CA 0.680 54.692 54.000 0.020 0.000 0.844 135 D CB 0.205 41.018 40.800 0.023 0.000 1.051 135 D HN 0.329 nan 8.370 nan 0.000 0.469 136 G N 0.430 109.237 108.800 0.012 0.000 2.746 136 G HA2 -0.454 3.505 3.960 -0.001 0.000 0.236 136 G HA3 -0.454 3.505 3.960 -0.001 0.000 0.236 136 G C 0.900 175.805 174.900 0.008 0.000 1.172 136 G CA 0.793 45.896 45.100 0.005 0.000 0.736 136 G HN 0.917 nan 8.290 nan 0.000 0.519 137 K N 1.472 121.882 120.400 0.016 0.000 2.366 137 K HA 0.469 4.789 4.320 -0.001 0.000 0.272 137 K C 0.576 177.187 176.600 0.017 0.000 1.151 137 K CA 1.440 57.739 56.287 0.019 0.000 1.173 137 K CB -0.660 31.857 32.500 0.029 0.000 0.853 137 K HN 0.814 nan 8.250 nan 0.000 0.473 138 T N 2.307 116.864 114.554 0.006 0.000 2.922 138 T HA 0.517 4.867 4.350 -0.001 0.000 0.285 138 T C -0.028 174.669 174.700 -0.006 0.000 1.005 138 T CA -0.377 61.721 62.100 -0.002 0.000 1.061 138 T CB 0.955 69.817 68.868 -0.010 0.000 1.007 138 T HN 0.730 nan 8.240 nan 0.000 0.502 139 Q N 0.904 120.692 119.800 -0.021 0.000 2.482 139 Q HA 0.640 4.980 4.340 -0.001 0.000 0.286 139 Q C -2.306 173.659 176.000 -0.058 0.000 1.007 139 Q CA -0.714 55.068 55.803 -0.035 0.000 0.801 139 Q CB 2.035 30.749 28.738 -0.039 0.000 1.455 139 Q HN 0.463 nan 8.270 nan 0.000 0.398 140 V N 3.393 123.273 119.914 -0.056 0.000 2.577 140 V HA 0.475 4.594 4.120 -0.001 0.000 0.303 140 V C -0.944 175.115 176.094 -0.058 0.000 1.042 140 V CA -0.708 61.560 62.300 -0.053 0.000 0.872 140 V CB 1.754 33.557 31.823 -0.032 0.000 0.998 140 V HN 0.643 nan 8.190 nan 0.000 0.423 141 L N 3.863 125.050 121.223 -0.059 0.000 2.334 141 L HA 0.657 4.997 4.340 -0.001 0.000 0.272 141 L C 0.170 177.046 176.870 0.010 0.000 1.020 141 L CA -0.451 54.382 54.840 -0.012 0.000 0.812 141 L CB 1.724 43.825 42.059 0.071 0.000 1.264 141 L HN 0.631 nan 8.230 nan 0.000 0.439 142 E N 1.016 121.225 120.200 0.016 0.000 2.158 142 E HA 0.667 5.016 4.350 -0.001 0.000 0.271 142 E C -0.981 175.653 176.600 0.057 0.000 0.911 142 E CA -0.598 55.808 56.400 0.010 0.000 0.767 142 E CB 2.450 32.136 29.700 -0.024 0.000 1.120 142 E HN 0.682 nan 8.360 nan 0.000 0.405 143 A N 2.908 125.766 122.820 0.064 0.000 2.343 143 A HA 0.280 4.599 4.320 -0.001 0.000 0.316 143 A C 0.507 178.127 177.584 0.060 0.000 1.104 143 A CA -0.575 51.521 52.037 0.099 0.000 0.768 143 A CB 1.459 20.518 19.000 0.098 0.000 1.213 143 A HN 0.712 nan 8.150 nan 0.000 0.456 144 E N 1.749 121.991 120.200 0.070 0.000 2.072 144 E HA -0.073 4.276 4.350 -0.001 0.000 0.191 144 E C 0.063 176.692 176.600 0.049 0.000 0.985 144 E CA 1.712 58.141 56.400 0.049 0.000 0.801 144 E CB 0.044 29.776 29.700 0.055 0.000 0.750 144 E HN 0.805 nan 8.360 nan 0.000 0.452 145 N N -1.670 117.076 118.700 0.077 0.000 2.357 145 N HA 0.490 5.229 4.740 -0.001 0.000 0.284 145 N C -1.896 173.664 175.510 0.084 0.000 1.236 145 N CA -0.731 52.369 53.050 0.084 0.000 0.774 145 N CB 2.711 41.312 38.487 0.190 0.000 1.534 145 N HN -0.206 nan 8.380 nan 0.000 0.478 146 V N 1.369 121.318 119.914 0.058 0.000 2.760 146 V HA 0.512 4.631 4.120 -0.001 0.000 0.309 146 V C -0.878 175.285 176.094 0.115 0.000 1.077 146 V CA -0.583 61.753 62.300 0.059 0.000 0.910 146 V CB 1.787 33.615 31.823 0.009 0.000 1.008 146 V HN 0.562 nan 8.190 nan 0.000 0.424 147 I N 5.359 126.005 120.570 0.127 0.000 2.410 147 I HA 0.480 4.649 4.170 -0.001 0.000 0.286 147 I C -0.693 175.477 176.117 0.089 0.000 1.009 147 I CA -0.352 61.043 61.300 0.158 0.000 1.111 147 I CB 1.758 39.840 38.000 0.138 0.000 1.262 147 I HN 0.445 nan 8.210 nan 0.000 0.443 148 I N 6.004 126.624 120.570 0.084 0.000 2.325 148 I HA 0.408 4.578 4.170 -0.001 0.000 0.291 148 I C 0.553 176.700 176.117 0.050 0.000 1.019 148 I CA 0.011 61.341 61.300 0.051 0.000 1.302 148 I CB 1.443 39.469 38.000 0.042 0.000 1.401 148 I HN 0.661 nan 8.210 nan 0.000 0.485 149 A N 4.027 126.867 122.820 0.035 0.000 3.308 149 A HA 0.290 4.610 4.320 -0.001 0.000 0.275 149 A C 0.963 178.558 177.584 0.018 0.000 0.950 149 A CA -0.369 51.685 52.037 0.029 0.000 0.987 149 A CB -0.038 18.979 19.000 0.028 0.000 1.146 149 A HN 0.723 nan 8.150 nan 0.000 0.488 150 S N -0.556 115.150 115.700 0.011 0.000 2.461 150 S HA 0.415 4.885 4.470 -0.001 0.000 0.228 150 S C 1.332 175.932 174.600 -0.000 0.000 1.005 150 S CA 0.876 59.073 58.200 -0.006 0.000 0.942 150 S CB -0.265 62.923 63.200 -0.020 0.000 0.776 150 S HN 2.260 nan 8.310 nan 0.000 0.514 151 G N 0.905 109.713 108.800 0.012 0.000 2.482 151 G HA2 0.101 4.060 3.960 -0.001 0.000 0.214 151 G HA3 0.101 4.060 3.960 -0.001 0.000 0.214 151 G C -0.369 174.540 174.900 0.015 0.000 1.271 151 G CA -0.268 44.838 45.100 0.011 0.000 0.944 151 G HN 1.599 nan 8.290 nan 0.000 0.568 152 S N -2.058 113.646 115.700 0.008 0.000 2.671 152 S HA 1.114 5.583 4.470 -0.001 0.000 0.277 152 S C -0.338 174.262 174.600 0.000 0.000 1.165 152 S CA 0.866 59.072 58.200 0.010 0.000 0.822 152 S CB 1.580 64.803 63.200 0.038 0.000 1.150 152 S HN 2.690 nan 8.310 nan 0.000 0.479 153 R N -0.759 119.742 120.500 0.001 0.000 2.692 153 R HA 0.878 5.217 4.340 -0.001 0.000 0.269 153 R C -3.722 172.581 176.300 0.005 0.000 1.030 153 R CA -1.930 54.171 56.100 0.002 0.000 0.882 153 R CB -0.753 29.549 30.300 0.003 0.000 1.250 153 R HN 0.653 nan 8.270 nan 0.000 0.465 154 P HA 0.130 nan 4.420 nan 0.000 0.262 154 P C -0.069 177.236 177.300 0.008 0.000 1.182 154 P CA -0.357 62.748 63.100 0.009 0.000 0.761 154 P CB 0.758 32.463 31.700 0.009 0.000 0.795 155 V N 4.327 124.247 119.914 0.010 0.000 2.740 155 V HA -0.026 4.094 4.120 -0.001 0.000 0.303 155 V C 0.938 177.038 176.094 0.011 0.000 1.054 155 V CA 0.574 62.879 62.300 0.010 0.000 1.106 155 V CB 0.118 31.950 31.823 0.014 0.000 0.957 155 V HN 0.521 nan 8.190 nan 0.000 0.486 156 E N 4.199 124.405 120.200 0.011 0.000 2.214 156 E HA 0.580 4.929 4.350 -0.001 0.000 0.274 156 E C -0.791 175.818 176.600 0.015 0.000 0.977 156 E CA -0.562 55.846 56.400 0.014 0.000 0.827 156 E CB 2.257 31.965 29.700 0.013 0.000 1.130 156 E HN 0.630 nan 8.360 nan 0.000 0.394 157 I N -0.780 119.801 120.570 0.019 0.000 2.582 157 I HA 0.399 4.569 4.170 -0.001 0.000 0.292 157 I C -2.102 174.030 176.117 0.025 0.000 1.066 157 I CA -2.322 58.991 61.300 0.022 0.000 1.053 157 I CB 2.124 40.138 38.000 0.024 0.000 1.241 157 I HN 0.210 nan 8.210 nan 0.000 0.421 158 P HA -0.084 nan 4.420 nan 0.000 0.214 158 P C -1.346 175.974 177.300 0.033 0.000 1.169 158 P CA 2.300 65.416 63.100 0.027 0.000 0.908 158 P CB -1.438 30.277 31.700 0.025 0.000 0.791 159 P HA 0.053 nan 4.420 nan 0.000 0.230 159 P C 0.150 177.482 177.300 0.054 0.000 1.158 159 P CA 1.331 64.460 63.100 0.049 0.000 0.769 159 P CB -0.178 31.558 31.700 0.059 0.000 0.807 160 A N -0.308 122.540 122.820 0.047 0.000 2.943 160 A HA 0.524 4.844 4.320 -0.001 0.000 0.327 160 A C -2.888 174.718 177.584 0.037 0.000 1.141 160 A CA -1.391 50.674 52.037 0.048 0.000 0.773 160 A CB 0.486 19.514 19.000 0.047 0.000 1.143 160 A HN -0.079 nan 8.150 nan 0.000 0.463 161 P HA 0.340 nan 4.420 nan 0.000 0.284 161 P C -0.284 177.034 177.300 0.030 0.000 1.253 161 P CA -0.357 62.761 63.100 0.029 0.000 0.800 161 P CB 0.807 32.523 31.700 0.027 0.000 0.961 162 L N 1.201 122.441 121.223 0.028 0.000 2.600 162 L HA 0.270 4.610 4.340 -0.001 0.000 0.278 162 L C 1.085 177.972 176.870 0.029 0.000 1.139 162 L CA 0.293 55.151 54.840 0.030 0.000 0.933 162 L CB -1.364 40.712 42.059 0.029 0.000 1.266 162 L HN 0.468 nan 8.230 nan 0.000 0.471 163 S N 2.435 118.153 115.700 0.031 0.000 2.410 163 S HA 0.479 4.949 4.470 -0.001 0.000 0.304 163 S C 0.417 175.033 174.600 0.026 0.000 1.095 163 S CA -0.776 57.440 58.200 0.027 0.000 1.089 163 S CB 0.504 63.721 63.200 0.028 0.000 0.968 163 S HN 0.738 nan 8.310 nan 0.000 0.480 164 D N 1.209 121.622 120.400 0.023 0.000 3.215 164 D HA -0.214 4.426 4.640 -0.001 0.000 0.194 164 D C 0.352 176.669 176.300 0.028 0.000 1.369 164 D CA 1.858 55.870 54.000 0.021 0.000 1.068 164 D CB -0.230 40.578 40.800 0.013 0.000 0.604 164 D HN 0.723 nan 8.370 nan 0.000 0.683 165 D N -0.272 120.142 120.400 0.023 0.000 2.325 165 D HA 0.085 4.724 4.640 -0.001 0.000 0.225 165 D C 1.521 177.831 176.300 0.018 0.000 1.096 165 D CA 0.060 54.081 54.000 0.035 0.000 0.844 165 D CB -0.040 40.772 40.800 0.020 0.000 0.925 165 D HN 0.296 nan 8.370 nan 0.000 0.513 166 I N 0.634 121.212 120.570 0.014 0.000 2.522 166 I HA 0.123 4.292 4.170 -0.001 0.000 0.240 166 I C 1.080 177.219 176.117 0.037 0.000 1.078 166 I CA 0.445 61.749 61.300 0.006 0.000 1.422 166 I CB 0.159 38.165 38.000 0.011 0.000 1.188 166 I HN -0.072 nan 8.210 nan 0.000 0.442 167 I N 0.787 121.384 120.570 0.045 0.000 2.312 167 I HA 0.295 4.465 4.170 -0.001 0.000 0.290 167 I C -0.477 175.672 176.117 0.054 0.000 1.008 167 I CA -0.227 61.103 61.300 0.051 0.000 1.226 167 I CB 1.333 39.361 38.000 0.047 0.000 1.371 167 I HN -0.182 nan 8.210 nan 0.000 0.468 168 V N 5.905 125.859 119.914 0.066 0.000 3.164 168 V HA 0.526 4.646 4.120 -0.001 0.000 0.313 168 V C -1.063 175.056 176.094 0.040 0.000 1.188 168 V CA -0.373 61.968 62.300 0.068 0.000 1.058 168 V CB 2.684 34.586 31.823 0.132 0.000 1.110 168 V HN 0.885 nan 8.190 nan 0.000 0.453 169 D N -0.420 119.993 120.400 0.022 0.000 2.654 169 D HA 0.361 5.000 4.640 -0.001 0.000 0.255 169 D C 0.938 177.228 176.300 -0.017 0.000 1.101 169 D CA 0.193 54.196 54.000 0.006 0.000 1.116 169 D CB 1.161 41.968 40.800 0.011 0.000 1.348 169 D HN 0.319 nan 8.370 nan 0.000 0.609 170 S N -0.371 115.320 115.700 -0.016 0.000 2.406 170 S HA -0.283 4.187 4.470 -0.001 0.000 0.242 170 S C 1.864 176.438 174.600 -0.043 0.000 1.079 170 S CA 2.741 60.925 58.200 -0.026 0.000 1.133 170 S CB -1.171 62.018 63.200 -0.018 0.000 1.005 170 S HN 0.740 nan 8.310 nan 0.000 0.443 171 T N 1.395 115.933 114.554 -0.026 0.000 2.708 171 T HA -0.022 4.328 4.350 -0.001 0.000 0.266 171 T C 2.085 176.759 174.700 -0.042 0.000 1.037 171 T CA 1.347 63.435 62.100 -0.019 0.000 1.146 171 T CB -0.954 67.921 68.868 0.013 0.000 0.865 171 T HN 0.590 nan 8.240 nan 0.000 0.435 172 G N 1.020 109.794 108.800 -0.044 0.000 2.408 172 G HA2 0.058 4.018 3.960 -0.001 0.000 0.217 172 G HA3 0.058 4.018 3.960 -0.001 0.000 0.217 172 G C 1.846 176.587 174.900 -0.266 0.000 1.150 172 G CA 0.733 45.805 45.100 -0.046 0.000 0.776 172 G HN 0.584 nan 8.290 nan 0.000 0.542 173 A N 0.771 123.357 122.820 -0.389 0.000 1.940 173 A HA 0.079 4.398 4.320 -0.001 0.000 0.219 173 A C 2.183 179.438 177.584 -0.548 0.000 1.176 173 A CA 1.011 52.546 52.037 -0.835 0.000 0.631 173 A CB -0.364 18.439 19.000 -0.329 0.000 0.814 173 A HN 0.357 nan 8.150 nan 0.000 0.446 174 L N -1.103 120.001 121.223 -0.199 0.000 2.650 174 L HA 0.055 4.395 4.340 -0.001 0.000 0.235 174 L C 1.723 178.590 176.870 -0.006 0.000 1.149 174 L CA 0.613 55.429 54.840 -0.041 0.000 0.887 174 L CB -0.066 41.979 42.059 -0.024 0.000 1.021 174 L HN 0.321 nan 8.230 nan 0.000 0.441 175 E N -0.864 119.285 120.200 -0.084 0.000 2.601 175 E HA 0.125 4.475 4.350 -0.001 0.000 0.219 175 E C 0.003 176.679 176.600 0.127 0.000 0.964 175 E CA -0.324 56.096 56.400 0.034 0.000 1.050 175 E CB 0.366 30.083 29.700 0.028 0.000 1.068 175 E HN -0.008 nan 8.360 nan 0.000 0.496 176 F N 1.758 121.685 119.950 -0.037 0.000 2.593 176 F HA 0.046 4.573 4.527 -0.001 0.000 0.393 176 F C 1.453 177.218 175.800 -0.059 0.000 1.037 176 F CA 0.278 58.157 58.000 -0.201 0.000 1.195 176 F CB 0.319 38.896 39.000 -0.706 0.000 1.034 176 F HN 0.003 nan 8.300 nan 0.000 0.552 177 Q N 1.967 121.843 119.800 0.127 0.000 2.322 177 Q HA 0.466 4.806 4.340 -0.001 0.000 0.203 177 Q C -0.313 175.726 176.000 0.064 0.000 0.923 177 Q CA 0.086 55.947 55.803 0.096 0.000 0.949 177 Q CB 0.191 28.963 28.738 0.057 0.000 1.039 177 Q HN 0.677 nan 8.270 nan 0.000 0.496 178 A N -1.702 121.130 122.820 0.020 0.000 2.597 178 A HA 0.547 4.867 4.320 -0.001 0.000 0.292 178 A C -1.476 176.058 177.584 -0.083 0.000 1.057 178 A CA -0.733 51.299 52.037 -0.010 0.000 0.674 178 A CB 0.975 19.938 19.000 -0.062 0.000 1.278 178 A HN -0.086 nan 8.150 nan 0.000 0.416 179 V N 3.417 123.343 119.914 0.021 0.000 2.455 179 V HA 0.356 4.476 4.120 -0.001 0.000 0.273 179 V C -1.801 174.237 176.094 -0.093 0.000 1.045 179 V CA -0.943 61.395 62.300 0.062 0.000 0.976 179 V CB 0.809 32.757 31.823 0.209 0.000 0.993 179 V HN 0.759 nan 8.190 nan 0.000 0.475 180 P HA 0.106 nan 4.420 nan 0.000 0.263 180 P C 0.463 177.734 177.300 -0.048 0.000 1.195 180 P CA -0.047 62.908 63.100 -0.242 0.000 0.762 180 P CB 0.853 32.317 31.700 -0.394 0.000 0.799 181 K N 1.602 121.982 120.400 -0.034 0.000 2.063 181 K HA -0.081 4.238 4.320 -0.001 0.000 0.208 181 K C 1.157 177.791 176.600 0.057 0.000 1.048 181 K CA 1.207 57.506 56.287 0.020 0.000 0.928 181 K CB 0.045 32.549 32.500 0.007 0.000 0.713 181 K HN 0.367 nan 8.250 nan 0.000 0.442 182 K N 0.770 121.209 120.400 0.065 0.000 2.426 182 K HA 0.386 4.706 4.320 -0.001 0.000 0.251 182 K C -1.730 174.985 176.600 0.191 0.000 0.941 182 K CA -0.868 55.504 56.287 0.142 0.000 0.808 182 K CB 1.840 34.415 32.500 0.126 0.000 1.265 182 K HN -0.032 nan 8.250 nan 0.000 0.432 183 L N 0.713 122.081 121.223 0.243 0.000 2.513 183 L HA 0.685 5.024 4.340 -0.001 0.000 0.261 183 L C -0.989 175.855 176.870 -0.043 0.000 0.945 183 L CA -0.159 54.759 54.840 0.129 0.000 0.848 183 L CB 2.213 44.343 42.059 0.118 0.000 1.334 183 L HN 0.640 nan 8.230 nan 0.000 0.407 184 G N 2.877 111.416 108.800 -0.435 0.000 2.448 184 G HA2 0.697 4.657 3.960 -0.001 0.000 0.324 184 G HA3 0.697 4.657 3.960 -0.001 0.000 0.324 184 G C -1.816 172.837 174.900 -0.411 0.000 1.203 184 G CA -0.645 43.892 45.100 -0.937 0.000 0.954 184 G HN 0.575 nan 8.290 nan 0.000 0.480 185 V N 1.843 121.582 119.914 -0.292 0.000 2.760 185 V HA 0.436 4.556 4.120 -0.001 0.000 0.309 185 V C -0.533 175.471 176.094 -0.149 0.000 1.077 185 V CA -0.583 61.634 62.300 -0.138 0.000 0.910 185 V CB 1.978 33.772 31.823 -0.049 0.000 1.008 185 V HN 0.671 nan 8.190 nan 0.000 0.424 186 I N 3.954 124.462 120.570 -0.103 0.000 2.328 186 I HA 0.754 4.924 4.170 -0.001 0.000 0.287 186 I C 0.507 176.595 176.117 -0.047 0.000 1.012 186 I CA -0.085 61.166 61.300 -0.082 0.000 1.195 186 I CB 1.512 39.478 38.000 -0.057 0.000 1.350 186 I HN 0.879 nan 8.210 nan 0.000 0.464 187 G N 4.617 113.391 108.800 -0.044 0.000 3.313 187 G HA2 0.201 4.161 3.960 -0.001 0.000 0.659 187 G HA3 0.201 4.161 3.960 -0.001 0.000 0.659 187 G C -0.657 174.226 174.900 -0.028 0.000 1.286 187 G CA -0.410 44.672 45.100 -0.030 0.000 1.077 187 G HN 0.856 nan 8.290 nan 0.000 0.551 188 A N 1.498 124.296 122.820 -0.037 0.000 3.232 188 A HA 0.852 5.172 4.320 -0.001 0.000 0.312 188 A C 1.002 178.488 177.584 -0.165 0.000 1.185 188 A CA 0.829 52.836 52.037 -0.050 0.000 1.011 188 A CB 0.038 19.049 19.000 0.018 0.000 1.096 188 A HN 2.069 nan 8.150 nan 0.000 0.543 189 G N -1.135 107.604 108.800 -0.102 0.000 3.042 189 G HA2 0.449 4.409 3.960 -0.001 0.000 0.278 189 G HA3 0.449 4.409 3.960 -0.001 0.000 0.278 189 G C 0.854 175.724 174.900 -0.050 0.000 1.371 189 G CA 0.009 45.047 45.100 -0.104 0.000 1.009 189 G HN 0.205 nan 8.290 nan 0.000 0.523 190 V N 0.206 120.108 119.914 -0.019 0.000 2.250 190 V HA -0.272 3.848 4.120 -0.001 0.000 0.253 190 V C 2.729 178.839 176.094 0.026 0.000 1.065 190 V CA 2.303 64.613 62.300 0.016 0.000 1.039 190 V CB -0.768 31.072 31.823 0.027 0.000 0.647 190 V HN 0.582 nan 8.190 nan 0.000 0.446 191 I N 0.107 120.687 120.570 0.016 0.000 2.617 191 I HA -0.033 4.136 4.170 -0.001 0.000 0.256 191 I C 2.478 178.607 176.117 0.019 0.000 1.167 191 I CA 1.127 62.438 61.300 0.018 0.000 1.469 191 I CB -0.783 37.222 38.000 0.008 0.000 1.098 191 I HN 0.384 nan 8.210 nan 0.000 0.436 192 G N 1.473 110.281 108.800 0.012 0.000 2.434 192 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.214 192 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.214 192 G C 1.660 176.585 174.900 0.041 0.000 1.202 192 G CA 0.433 45.544 45.100 0.018 0.000 0.788 192 G HN 0.209 nan 8.290 nan 0.000 0.539 193 L N 0.262 121.510 121.223 0.041 0.000 1.990 193 L HA -0.144 4.196 4.340 -0.001 0.000 0.213 193 L C 2.976 179.884 176.870 0.064 0.000 1.072 193 L CA 1.743 56.625 54.840 0.070 0.000 0.755 193 L CB -0.559 41.542 42.059 0.071 0.000 0.889 193 L HN 0.330 nan 8.230 nan 0.000 0.432 194 E N -0.322 119.910 120.200 0.053 0.000 2.072 194 E HA -0.189 4.160 4.350 -0.001 0.000 0.191 194 E C 2.178 178.789 176.600 0.019 0.000 0.985 194 E CA 0.756 57.181 56.400 0.041 0.000 0.801 194 E CB -0.002 29.726 29.700 0.046 0.000 0.750 194 E HN 0.287 nan 8.360 nan 0.000 0.452 195 L N 0.409 121.656 121.223 0.040 0.000 2.217 195 L HA -0.017 4.323 4.340 -0.001 0.000 0.211 195 L C 2.334 179.286 176.870 0.137 0.000 1.107 195 L CA 1.461 56.344 54.840 0.071 0.000 0.783 195 L CB -1.591 40.527 42.059 0.098 0.000 0.919 195 L HN 0.170 nan 8.230 nan 0.000 0.442 196 G N -0.645 108.224 108.800 0.116 0.000 2.453 196 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.215 196 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.215 196 G C 1.736 176.695 174.900 0.100 0.000 1.201 196 G CA 0.986 46.167 45.100 0.136 0.000 0.784 196 G HN 0.400 nan 8.290 nan 0.000 0.545 197 S N 0.107 115.836 115.700 0.048 0.000 2.380 197 S HA -0.186 4.284 4.470 -0.001 0.000 0.229 197 S C 2.484 177.048 174.600 -0.061 0.000 1.043 197 S CA 1.415 59.621 58.200 0.010 0.000 1.038 197 S CB -0.490 62.713 63.200 0.006 0.000 0.872 197 S HN 0.182 nan 8.310 nan 0.000 0.456 198 V N -0.106 119.707 119.914 -0.169 0.000 2.255 198 V HA -0.213 3.906 4.120 -0.001 0.000 0.247 198 V C 1.921 177.714 176.094 -0.503 0.000 1.051 198 V CA 1.800 63.842 62.300 -0.430 0.000 1.018 198 V CB -0.735 30.663 31.823 -0.709 0.000 0.641 198 V HN 0.622 nan 8.190 nan 0.000 0.445 199 W N -0.616 120.730 121.300 0.075 0.000 2.523 199 W HA 0.175 4.835 4.660 -0.000 0.000 0.278 199 W C 2.531 179.106 176.519 0.094 0.000 1.236 199 W CA 0.722 58.130 57.345 0.105 0.000 1.306 199 W CB -0.390 29.174 29.460 0.173 0.000 1.101 199 W HN 0.159 nan 8.180 nan 0.000 0.577 200 A N 0.907 123.847 122.820 0.201 0.000 1.877 200 A HA -0.226 4.094 4.320 -0.001 0.000 0.216 200 A C 1.858 179.520 177.584 0.130 0.000 1.186 200 A CA 1.830 53.961 52.037 0.157 0.000 0.620 200 A CB -0.804 18.266 19.000 0.118 0.000 0.822 200 A HN 0.213 nan 8.150 nan 0.000 0.443 201 R N -0.561 119.980 120.500 0.069 0.000 2.154 201 R HA -0.067 4.273 4.340 -0.001 0.000 0.248 201 R C 1.200 177.625 176.300 0.208 0.000 1.155 201 R CA 1.329 57.480 56.100 0.085 0.000 0.979 201 R CB -0.266 30.032 30.300 -0.003 0.000 0.869 201 R HN 0.500 nan 8.270 nan 0.000 0.452 202 L N -1.562 119.747 121.223 0.144 0.000 2.700 202 L HA 0.328 4.668 4.340 -0.001 0.000 0.234 202 L C 0.852 177.830 176.870 0.180 0.000 1.156 202 L CA 0.689 55.605 54.840 0.127 0.000 0.946 202 L CB 0.528 42.575 42.059 -0.020 0.000 1.216 202 L HN 0.526 nan 8.230 nan 0.000 0.493 203 G N 0.166 109.086 108.800 0.199 0.000 2.205 203 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.180 203 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.180 203 G C 0.434 175.431 174.900 0.161 0.000 1.004 203 G CA -0.110 45.093 45.100 0.172 0.000 0.670 203 G HN 0.443 nan 8.290 nan 0.000 0.496 204 A N 0.338 123.278 122.820 0.200 0.000 2.425 204 A HA 0.604 4.923 4.320 -0.001 0.000 0.249 204 A C 0.403 178.084 177.584 0.162 0.000 1.084 204 A CA 0.373 52.525 52.037 0.192 0.000 0.781 204 A CB 0.376 19.541 19.000 0.276 0.000 1.019 204 A HN 0.438 nan 8.150 nan 0.000 0.490 205 E N 2.045 122.330 120.200 0.141 0.000 2.003 205 E HA 0.370 4.720 4.350 -0.001 0.000 0.279 205 E C -1.061 175.636 176.600 0.161 0.000 1.132 205 E CA -0.216 56.266 56.400 0.138 0.000 0.888 205 E CB 0.353 30.125 29.700 0.121 0.000 1.056 205 E HN 0.412 nan 8.360 nan 0.000 0.399 206 V N 4.227 124.230 119.914 0.148 0.000 2.439 206 V HA 0.243 4.363 4.120 -0.001 0.000 0.282 206 V C 0.217 176.381 176.094 0.116 0.000 1.039 206 V CA -0.408 61.973 62.300 0.134 0.000 0.913 206 V CB 1.783 33.682 31.823 0.126 0.000 0.983 206 V HN 0.619 nan 8.190 nan 0.000 0.460 207 T N 4.370 118.981 114.554 0.095 0.000 2.829 207 T HA 0.590 4.940 4.350 -0.001 0.000 0.280 207 T C -0.516 174.158 174.700 -0.044 0.000 0.999 207 T CA -0.403 61.741 62.100 0.073 0.000 0.983 207 T CB 1.722 70.712 68.868 0.203 0.000 0.968 207 T HN 0.334 nan 8.240 nan 0.000 0.446 208 V N 4.821 124.716 119.914 -0.031 0.000 2.407 208 V HA 0.417 4.537 4.120 -0.001 0.000 0.291 208 V C -0.345 175.699 176.094 -0.083 0.000 1.018 208 V CA -0.814 61.456 62.300 -0.050 0.000 0.842 208 V CB 1.167 33.006 31.823 0.026 0.000 0.996 208 V HN 0.720 nan 8.190 nan 0.000 0.426 209 L N 4.410 125.541 121.223 -0.153 0.000 2.275 209 L HA 0.747 5.087 4.340 -0.001 0.000 0.288 209 L C -0.184 176.621 176.870 -0.109 0.000 1.046 209 L CA -0.259 54.458 54.840 -0.205 0.000 0.805 209 L CB 1.417 43.287 42.059 -0.315 0.000 1.193 209 L HN 0.659 nan 8.230 nan 0.000 0.426 210 E N 2.237 122.396 120.200 -0.068 0.000 2.278 210 E HA 0.457 4.807 4.350 -0.001 0.000 0.272 210 E C -0.186 176.410 176.600 -0.007 0.000 0.890 210 E CA -0.436 55.950 56.400 -0.023 0.000 0.770 210 E CB 1.987 31.693 29.700 0.010 0.000 1.212 210 E HN 0.540 nan 8.360 nan 0.000 0.415 211 A N 4.263 127.084 122.820 0.001 0.000 2.119 211 A HA 0.138 4.457 4.320 -0.001 0.000 0.217 211 A C 0.444 178.044 177.584 0.026 0.000 1.153 211 A CA 0.527 52.576 52.037 0.019 0.000 0.692 211 A CB -0.261 18.752 19.000 0.023 0.000 0.799 211 A HN 0.492 nan 8.150 nan 0.000 0.458 212 L N -0.414 120.823 121.223 0.024 0.000 2.416 212 L HA 0.271 4.611 4.340 -0.001 0.000 0.262 212 L C 0.727 177.622 176.870 0.041 0.000 1.093 212 L CA 0.038 54.895 54.840 0.029 0.000 0.801 212 L CB 0.731 42.802 42.059 0.020 0.000 1.191 212 L HN 0.182 nan 8.230 nan 0.000 0.459 213 D N 0.199 120.623 120.400 0.040 0.000 2.349 213 D HA 0.008 4.648 4.640 -0.001 0.000 0.215 213 D C -0.090 176.245 176.300 0.058 0.000 1.016 213 D CA 0.693 54.721 54.000 0.047 0.000 0.870 213 D CB 0.453 41.275 40.800 0.036 0.000 0.917 213 D HN 0.265 nan 8.370 nan 0.000 0.524 214 K N 0.992 121.426 120.400 0.057 0.000 2.358 214 K HA 0.224 4.544 4.320 -0.001 0.000 0.260 214 K C -0.544 176.118 176.600 0.104 0.000 0.956 214 K CA -0.847 55.482 56.287 0.070 0.000 0.834 214 K CB 1.871 34.392 32.500 0.035 0.000 1.102 214 K HN -0.110 nan 8.250 nan 0.000 0.431 215 F N 2.986 122.927 119.950 -0.014 0.000 2.471 215 F HA 0.096 4.623 4.527 -0.001 0.000 0.353 215 F C 1.112 176.899 175.800 -0.021 0.000 1.113 215 F CA -0.099 57.894 58.000 -0.012 0.000 1.262 215 F CB 0.354 39.345 39.000 -0.015 0.000 1.146 215 F HN 0.564 nan 8.300 nan 0.000 0.578 216 L N 6.465 127.404 121.223 -0.474 0.000 4.054 216 L HA -0.236 4.104 4.340 -0.001 0.000 0.475 216 L C -1.445 175.351 176.870 -0.122 0.000 1.166 216 L CA -0.281 54.372 54.840 -0.311 0.000 0.688 216 L CB -0.957 40.911 42.059 -0.318 0.000 1.512 216 L HN 0.603 nan 8.230 nan 0.000 0.799 217 P HA -0.166 nan 4.420 nan 0.000 0.231 217 P C 1.193 178.472 177.300 -0.036 0.000 1.158 217 P CA 1.611 64.687 63.100 -0.040 0.000 0.763 217 P CB 0.287 31.976 31.700 -0.018 0.000 0.805 218 A N -0.353 122.460 122.820 -0.011 0.000 2.095 218 A HA 0.433 4.753 4.320 -0.001 0.000 0.212 218 A C 1.456 178.977 177.584 -0.105 0.000 1.162 218 A CA 0.385 52.458 52.037 0.061 0.000 0.753 218 A CB -0.614 18.527 19.000 0.235 0.000 0.840 218 A HN 0.285 nan 8.150 nan 0.000 0.468 219 A N 0.548 123.121 122.820 -0.410 0.000 2.351 219 A HA 0.387 4.707 4.320 -0.001 0.000 0.257 219 A C 0.098 177.339 177.584 -0.573 0.000 1.087 219 A CA -0.299 51.107 52.037 -1.052 0.000 0.798 219 A CB 0.029 18.520 19.000 -0.848 0.000 1.033 219 A HN 0.430 nan 8.150 nan 0.000 0.488 220 D N 1.006 121.050 120.400 -0.593 0.000 2.488 220 D HA -0.067 4.573 4.640 -0.001 0.000 0.238 220 D C 0.993 177.121 176.300 -0.287 0.000 1.138 220 D CA 0.388 54.119 54.000 -0.447 0.000 0.873 220 D CB 0.608 40.979 40.800 -0.716 0.000 1.183 220 D HN 0.714 nan 8.370 nan 0.000 0.458 221 E N 2.322 122.400 120.200 -0.202 0.000 2.136 221 E HA -0.303 4.047 4.350 -0.001 0.000 0.202 221 E C 1.765 178.305 176.600 -0.101 0.000 1.019 221 E CA 1.561 57.888 56.400 -0.121 0.000 0.819 221 E CB 0.153 29.795 29.700 -0.096 0.000 0.739 221 E HN 0.584 nan 8.360 nan 0.000 0.458 222 Q N -0.416 119.310 119.800 -0.124 0.000 2.084 222 Q HA -0.183 4.156 4.340 -0.001 0.000 0.202 222 Q C 2.176 178.133 176.000 -0.071 0.000 0.978 222 Q CA 1.317 57.064 55.803 -0.092 0.000 0.844 222 Q CB 0.048 28.726 28.738 -0.100 0.000 0.898 222 Q HN 0.369 nan 8.270 nan 0.000 0.426 223 I N 0.299 120.813 120.570 -0.092 0.000 2.252 223 I HA -0.203 3.967 4.170 -0.001 0.000 0.245 223 I C 2.371 178.476 176.117 -0.021 0.000 1.102 223 I CA 1.230 62.499 61.300 -0.052 0.000 1.385 223 I CB -1.683 36.265 38.000 -0.086 0.000 1.064 223 I HN 0.148 nan 8.210 nan 0.000 0.414 224 A N 1.257 124.058 122.820 -0.030 0.000 1.877 224 A HA -0.235 4.085 4.320 -0.001 0.000 0.216 224 A C 2.448 180.068 177.584 0.061 0.000 1.186 224 A CA 1.871 53.967 52.037 0.098 0.000 0.620 224 A CB -0.577 18.475 19.000 0.087 0.000 0.822 224 A HN 0.309 nan 8.150 nan 0.000 0.443 225 K N 0.022 120.414 120.400 -0.013 0.000 2.032 225 K HA -0.222 4.098 4.320 -0.001 0.000 0.209 225 K C 1.856 178.413 176.600 -0.071 0.000 1.048 225 K CA 2.185 58.439 56.287 -0.056 0.000 0.927 225 K CB -0.283 32.188 32.500 -0.047 0.000 0.712 225 K HN 0.370 nan 8.250 nan 0.000 0.441 226 E N 0.423 120.598 120.200 -0.041 0.000 2.106 226 E HA -0.041 4.309 4.350 -0.001 0.000 0.192 226 E C 1.748 178.329 176.600 -0.031 0.000 0.984 226 E CA 1.486 57.868 56.400 -0.031 0.000 0.806 226 E CB -0.303 29.391 29.700 -0.010 0.000 0.750 226 E HN 0.377 nan 8.360 nan 0.000 0.458 227 A N 0.467 123.284 122.820 -0.005 0.000 1.877 227 A HA -0.137 4.182 4.320 -0.001 0.000 0.216 227 A C 2.155 179.673 177.584 -0.109 0.000 1.186 227 A CA 1.531 53.589 52.037 0.035 0.000 0.620 227 A CB -0.809 18.323 19.000 0.221 0.000 0.822 227 A HN 0.379 nan 8.150 nan 0.000 0.443 228 L N 0.180 121.197 121.223 -0.343 0.000 2.046 228 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 228 L C 2.222 178.893 176.870 -0.332 0.000 1.077 228 L CA 2.697 57.124 54.840 -0.688 0.000 0.747 228 L CB -0.780 40.746 42.059 -0.888 0.000 0.896 228 L HN 0.489 nan 8.230 nan 0.000 0.432 229 K N -0.821 119.457 120.400 -0.202 0.000 2.001 229 K HA -0.177 4.142 4.320 -0.001 0.000 0.214 229 K C 1.877 178.436 176.600 -0.067 0.000 1.050 229 K CA 2.408 58.629 56.287 -0.109 0.000 0.934 229 K CB -0.283 32.172 32.500 -0.074 0.000 0.718 229 K HN 0.296 nan 8.250 nan 0.000 0.443 230 V N 1.634 121.519 119.914 -0.049 0.000 2.332 230 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 230 V C 2.347 178.441 176.094 -0.000 0.000 1.055 230 V CA 1.708 64.003 62.300 -0.008 0.000 1.038 230 V CB -0.372 31.456 31.823 0.008 0.000 0.651 230 V HN 0.335 nan 8.190 nan 0.000 0.450 231 L N 0.219 121.429 121.223 -0.022 0.000 2.179 231 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 231 L C 2.741 179.613 176.870 0.003 0.000 1.096 231 L CA 1.692 56.538 54.840 0.010 0.000 0.779 231 L CB -0.828 41.254 42.059 0.038 0.000 0.922 231 L HN 0.556 nan 8.230 nan 0.000 0.443 232 T N -2.766 111.764 114.554 -0.039 0.000 2.821 232 T HA -0.221 4.129 4.350 -0.001 0.000 0.267 232 T C 1.871 176.576 174.700 0.009 0.000 1.046 232 T CA 0.900 62.989 62.100 -0.019 0.000 1.139 232 T CB -0.172 68.666 68.868 -0.050 0.000 0.871 232 T HN 0.144 nan 8.240 nan 0.000 0.454 233 K N 0.879 121.282 120.400 0.006 0.000 2.211 233 K HA -0.045 4.275 4.320 -0.001 0.000 0.203 233 K C 2.496 179.128 176.600 0.053 0.000 1.050 233 K CA 0.943 57.246 56.287 0.027 0.000 0.945 233 K CB -0.124 32.390 32.500 0.023 0.000 0.732 233 K HN 0.460 nan 8.250 nan 0.000 0.451 234 Q N -1.072 118.762 119.800 0.057 0.000 2.472 234 Q HA -0.043 4.297 4.340 -0.001 0.000 0.208 234 Q C 0.465 176.513 176.000 0.079 0.000 0.958 234 Q CA 0.921 56.771 55.803 0.079 0.000 0.932 234 Q CB 0.425 29.202 28.738 0.065 0.000 1.007 234 Q HN 0.502 nan 8.270 nan 0.000 0.508 235 G N -0.153 108.688 108.800 0.068 0.000 2.205 235 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.180 235 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.180 235 G C -0.250 174.695 174.900 0.074 0.000 1.004 235 G CA -0.214 44.931 45.100 0.075 0.000 0.670 235 G HN 0.206 nan 8.290 nan 0.000 0.496 236 L N 1.439 122.701 121.223 0.065 0.000 2.257 236 L HA 0.437 4.777 4.340 -0.001 0.000 0.290 236 L C 0.247 177.151 176.870 0.057 0.000 1.044 236 L CA -0.921 53.961 54.840 0.071 0.000 0.810 236 L CB 1.219 43.326 42.059 0.080 0.000 1.193 236 L HN 0.096 nan 8.230 nan 0.000 0.425 237 N N 4.588 123.327 118.700 0.065 0.000 2.605 237 N HA 0.241 4.981 4.740 -0.001 0.000 0.258 237 N C -0.536 175.003 175.510 0.047 0.000 1.156 237 N CA -0.055 53.029 53.050 0.057 0.000 1.008 237 N CB 0.091 38.625 38.487 0.079 0.000 1.354 237 N HN 0.467 nan 8.380 nan 0.000 0.509 238 I N 3.407 123.999 120.570 0.038 0.000 2.352 238 I HA 0.217 4.387 4.170 -0.001 0.000 0.290 238 I C 0.496 176.633 176.117 0.033 0.000 1.036 238 I CA -0.431 60.900 61.300 0.052 0.000 1.336 238 I CB 0.611 38.662 38.000 0.085 0.000 1.407 238 I HN 0.185 nan 8.210 nan 0.000 0.497 239 R N 7.339 127.845 120.500 0.009 0.000 2.288 239 R HA 0.529 4.869 4.340 -0.001 0.000 0.326 239 R C -0.690 175.615 176.300 0.008 0.000 0.959 239 R CA -0.793 55.307 56.100 0.000 0.000 0.834 239 R CB 1.560 31.831 30.300 -0.048 0.000 1.157 239 R HN 0.557 nan 8.270 nan 0.000 0.470 240 L N 0.679 121.927 121.223 0.042 0.000 2.466 240 L HA 0.236 4.575 4.340 -0.001 0.000 0.257 240 L C 1.388 178.284 176.870 0.045 0.000 1.189 240 L CA 0.242 55.114 54.840 0.054 0.000 0.813 240 L CB 0.733 42.836 42.059 0.073 0.000 1.118 240 L HN 0.939 nan 8.230 nan 0.000 0.471 241 G N 1.479 110.306 108.800 0.045 0.000 2.258 241 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.274 241 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.274 241 G C 0.147 175.084 174.900 0.062 0.000 1.021 241 G CA 0.377 45.507 45.100 0.049 0.000 0.798 241 G HN 0.900 nan 8.290 nan 0.000 0.507 242 A N -0.016 122.827 122.820 0.039 0.000 2.271 242 A HA 0.805 5.125 4.320 -0.001 0.000 0.317 242 A C 0.484 178.102 177.584 0.057 0.000 1.245 242 A CA -0.633 51.445 52.037 0.069 0.000 0.857 242 A CB 0.701 19.648 19.000 -0.089 0.000 1.175 242 A HN 0.450 nan 8.150 nan 0.000 0.512 243 R N 2.021 122.603 120.500 0.138 0.000 2.229 243 R HA 0.442 4.782 4.340 -0.001 0.000 0.332 243 R C -0.905 175.503 176.300 0.180 0.000 0.989 243 R CA -0.552 55.620 56.100 0.120 0.000 0.842 243 R CB 1.582 31.942 30.300 0.100 0.000 1.119 243 R HN 0.468 nan 8.270 nan 0.000 0.456 244 V N 3.288 123.287 119.914 0.141 0.000 2.508 244 V HA 0.026 4.146 4.120 -0.001 0.000 0.281 244 V C 0.832 177.007 176.094 0.134 0.000 1.041 244 V CA 0.416 62.824 62.300 0.180 0.000 1.016 244 V CB 1.405 33.303 31.823 0.125 0.000 0.984 244 V HN 0.889 nan 8.190 nan 0.000 0.478 245 T N 3.083 117.720 114.554 0.138 0.000 3.046 245 T HA 0.439 4.788 4.350 -0.001 0.000 0.242 245 T C 0.415 175.161 174.700 0.077 0.000 1.018 245 T CA 0.849 63.003 62.100 0.089 0.000 1.131 245 T CB 0.560 69.472 68.868 0.073 0.000 0.904 245 T HN 0.820 nan 8.240 nan 0.000 0.459 246 A N 0.368 123.243 122.820 0.091 0.000 2.572 246 A HA 0.763 5.082 4.320 -0.001 0.000 0.295 246 A C -0.846 176.793 177.584 0.092 0.000 1.072 246 A CA -0.602 51.479 52.037 0.074 0.000 0.691 246 A CB 1.634 20.665 19.000 0.051 0.000 1.291 246 A HN 0.137 nan 8.150 nan 0.000 0.404 247 S N -0.048 115.699 115.700 0.079 0.000 2.638 247 S HA 0.788 5.257 4.470 -0.001 0.000 0.302 247 S C -0.820 173.816 174.600 0.061 0.000 1.096 247 S CA -0.554 57.698 58.200 0.087 0.000 0.953 247 S CB 1.753 65.003 63.200 0.083 0.000 1.107 247 S HN 0.736 nan 8.310 nan 0.000 0.503 248 E N 1.432 121.666 120.200 0.057 0.000 2.404 248 E HA 0.325 4.674 4.350 -0.001 0.000 0.298 248 E C -1.806 174.816 176.600 0.036 0.000 0.908 248 E CA -0.302 56.120 56.400 0.037 0.000 0.808 248 E CB 0.910 30.627 29.700 0.027 0.000 1.380 248 E HN 0.361 nan 8.360 nan 0.000 0.392 249 V N 4.274 124.207 119.914 0.032 0.000 2.583 249 V HA 0.464 4.583 4.120 -0.001 0.000 0.287 249 V C 0.055 176.158 176.094 0.015 0.000 1.051 249 V CA 0.080 62.397 62.300 0.027 0.000 1.010 249 V CB 1.364 33.202 31.823 0.025 0.000 0.988 249 V HN 0.614 nan 8.190 nan 0.000 0.478 250 K N 4.025 124.430 120.400 0.009 0.000 2.580 250 K HA 0.290 4.610 4.320 -0.001 0.000 0.258 250 K C -0.209 176.388 176.600 -0.004 0.000 0.936 250 K CA -0.693 55.594 56.287 0.001 0.000 0.852 250 K CB 1.010 33.510 32.500 -0.001 0.000 1.329 250 K HN 0.710 nan 8.250 nan 0.000 0.430 251 K N 3.653 124.049 120.400 -0.007 0.000 3.078 251 K HA -0.277 4.043 4.320 -0.001 0.000 0.261 251 K C -0.950 175.641 176.600 -0.015 0.000 0.947 251 K CA 2.019 58.300 56.287 -0.011 0.000 0.702 251 K CB -1.781 30.712 32.500 -0.013 0.000 1.318 251 K HN 0.887 nan 8.250 nan 0.000 0.473 252 K N -1.468 118.924 120.400 -0.013 0.000 3.230 252 K HA -0.247 4.073 4.320 -0.001 0.000 0.285 252 K C -0.433 176.155 176.600 -0.020 0.000 1.196 252 K CA 1.759 58.035 56.287 -0.020 0.000 0.838 252 K CB -1.305 31.177 32.500 -0.030 0.000 1.262 252 K HN 0.785 nan 8.250 nan 0.000 0.492 253 Q N -0.556 119.241 119.800 -0.006 0.000 2.553 253 Q HA 0.739 5.079 4.340 -0.001 0.000 0.293 253 Q C -1.535 174.481 176.000 0.026 0.000 1.038 253 Q CA -0.931 54.875 55.803 0.005 0.000 0.777 253 Q CB 3.348 32.079 28.738 -0.011 0.000 1.487 253 Q HN 0.087 nan 8.270 nan 0.000 0.426 254 V N -0.379 119.571 119.914 0.060 0.000 2.925 254 V HA 0.741 4.861 4.120 -0.001 0.000 0.311 254 V C -1.575 174.569 176.094 0.083 0.000 1.104 254 V CA -0.168 62.182 62.300 0.083 0.000 0.954 254 V CB 2.502 34.398 31.823 0.121 0.000 1.022 254 V HN 0.793 nan 8.190 nan 0.000 0.427 255 T N 5.166 119.760 114.554 0.067 0.000 2.809 255 T HA 0.535 4.885 4.350 -0.001 0.000 0.296 255 T C -0.540 174.231 174.700 0.119 0.000 1.015 255 T CA -0.246 61.876 62.100 0.037 0.000 0.954 255 T CB 1.193 70.057 68.868 -0.005 0.000 0.950 255 T HN 0.627 nan 8.240 nan 0.000 0.450 256 V N 3.895 123.943 119.914 0.224 0.000 2.509 256 V HA 0.399 4.519 4.120 -0.001 0.000 0.284 256 V C 0.571 176.829 176.094 0.274 0.000 1.047 256 V CA -0.380 62.112 62.300 0.320 0.000 0.952 256 V CB 1.634 33.780 31.823 0.537 0.000 0.988 256 V HN 0.908 nan 8.190 nan 0.000 0.469 257 T N 6.660 121.335 114.554 0.201 0.000 2.771 257 T HA 0.729 5.079 4.350 -0.001 0.000 0.281 257 T C -0.668 174.131 174.700 0.164 0.000 0.982 257 T CA -0.090 62.048 62.100 0.062 0.000 0.978 257 T CB 0.407 69.292 68.868 0.029 0.000 0.930 257 T HN 0.535 nan 8.240 nan 0.000 0.447 258 F N -0.660 119.326 119.950 0.060 0.000 2.654 258 F HA 0.719 5.246 4.527 -0.000 0.000 0.308 258 F C -0.660 175.169 175.800 0.047 0.000 1.108 258 F CA -1.127 56.909 58.000 0.059 0.000 0.957 258 F CB 1.050 40.096 39.000 0.076 0.000 1.309 258 F HN 0.239 nan 8.300 nan 0.000 0.446 259 T N 2.246 116.954 114.554 0.257 0.000 2.772 259 T HA 0.435 4.785 4.350 -0.001 0.000 0.288 259 T C -0.684 174.163 174.700 0.245 0.000 0.994 259 T CA -0.428 61.764 62.100 0.152 0.000 0.951 259 T CB 1.024 69.946 68.868 0.090 0.000 0.933 259 T HN 0.768 nan 8.240 nan 0.000 0.447 260 D N 2.838 123.386 120.400 0.248 0.000 2.489 260 D HA 0.574 5.213 4.640 -0.001 0.000 0.232 260 D C 1.688 178.058 176.300 0.116 0.000 1.230 260 D CA -0.515 53.605 54.000 0.199 0.000 1.101 260 D CB -0.312 40.634 40.800 0.243 0.000 1.198 260 D HN 0.365 nan 8.370 nan 0.000 0.611 261 A N -0.756 122.120 122.820 0.094 0.000 1.897 261 A HA -0.045 4.275 4.320 -0.001 0.000 0.215 261 A C 0.863 178.478 177.584 0.051 0.000 1.181 261 A CA 0.778 52.853 52.037 0.063 0.000 0.620 261 A CB -1.173 17.859 19.000 0.053 0.000 0.821 261 A HN 0.620 nan 8.150 nan 0.000 0.443 262 N N 0.613 119.345 118.700 0.054 0.000 3.298 262 N HA 0.395 5.134 4.740 -0.001 0.000 0.292 262 N C 0.880 176.404 175.510 0.024 0.000 1.271 262 N CA -0.035 53.035 53.050 0.034 0.000 1.184 262 N CB 0.309 38.815 38.487 0.031 0.000 1.452 262 N HN 0.531 nan 8.380 nan 0.000 0.534 263 G N 1.897 110.711 108.800 0.023 0.000 2.602 263 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.317 263 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.317 263 G C -0.258 174.623 174.900 -0.031 0.000 1.327 263 G CA -0.097 45.005 45.100 0.004 0.000 0.971 263 G HN 0.550 nan 8.290 nan 0.000 0.540 264 E N 0.799 120.955 120.200 -0.073 0.000 2.338 264 E HA 0.477 4.827 4.350 -0.001 0.000 0.272 264 E C 0.246 176.689 176.600 -0.262 0.000 1.029 264 E CA 0.310 56.613 56.400 -0.162 0.000 0.872 264 E CB 0.843 30.474 29.700 -0.115 0.000 1.015 264 E HN 0.430 nan 8.360 nan 0.000 0.417 265 Q N 0.514 119.984 119.800 -0.549 0.000 2.495 265 Q HA 0.611 4.950 4.340 -0.001 0.000 0.287 265 Q C -1.123 174.410 176.000 -0.779 0.000 1.078 265 Q CA -0.598 54.819 55.803 -0.644 0.000 0.793 265 Q CB 2.123 30.398 28.738 -0.772 0.000 1.459 265 Q HN 0.401 nan 8.270 nan 0.000 0.422 266 K N -0.181 119.958 120.400 -0.435 0.000 2.422 266 K HA 0.851 5.171 4.320 -0.001 0.000 0.251 266 K C -1.073 175.472 176.600 -0.093 0.000 0.933 266 K CA -0.138 56.015 56.287 -0.224 0.000 0.798 266 K CB 1.446 33.868 32.500 -0.130 0.000 1.238 266 K HN 0.708 nan 8.250 nan 0.000 0.428 267 E N 0.244 120.451 120.200 0.012 0.000 2.340 267 E HA 0.714 5.064 4.350 -0.001 0.000 0.273 267 E C -0.695 175.578 176.600 -0.545 0.000 0.891 267 E CA -0.594 55.699 56.400 -0.179 0.000 0.757 267 E CB 1.807 31.528 29.700 0.036 0.000 1.231 267 E HN 0.623 nan 8.360 nan 0.000 0.439 268 T N 2.818 116.999 114.554 -0.623 0.000 2.874 268 T HA 0.551 4.901 4.350 -0.001 0.000 0.321 268 T C -0.619 173.726 174.700 -0.590 0.000 1.075 268 T CA -0.197 61.595 62.100 -0.513 0.000 0.966 268 T CB -0.925 67.807 68.868 -0.227 0.000 1.001 268 T HN 0.398 nan 8.240 nan 0.000 0.476 269 F N 1.036 121.007 119.950 0.034 0.000 2.370 269 F HA 0.361 4.888 4.527 -0.001 0.000 0.319 269 F C 1.427 177.218 175.800 -0.015 0.000 1.129 269 F CA -1.128 56.881 58.000 0.015 0.000 1.109 269 F CB 0.531 39.544 39.000 0.022 0.000 1.262 269 F HN 0.346 nan 8.300 nan 0.000 0.534 270 D N -0.214 120.264 120.400 0.131 0.000 2.323 270 D HA 0.061 4.701 4.640 -0.001 0.000 0.209 270 D C 0.126 176.410 176.300 -0.026 0.000 0.973 270 D CA 1.124 55.133 54.000 0.014 0.000 0.874 270 D CB 0.128 40.898 40.800 -0.049 0.000 0.930 270 D HN 0.222 nan 8.370 nan 0.000 0.521 271 K N -0.421 119.988 120.400 0.014 0.000 2.546 271 K HA 0.541 4.860 4.320 -0.001 0.000 0.264 271 K C -2.067 174.556 176.600 0.037 0.000 0.937 271 K CA -0.737 55.521 56.287 -0.050 0.000 0.833 271 K CB 2.412 34.756 32.500 -0.259 0.000 1.378 271 K HN -0.117 nan 8.250 nan 0.000 0.432 272 L N 3.865 125.113 121.223 0.040 0.000 2.436 272 L HA 0.647 4.987 4.340 -0.001 0.000 0.268 272 L C -1.709 175.170 176.870 0.014 0.000 0.974 272 L CA -0.362 54.465 54.840 -0.022 0.000 0.826 272 L CB 1.516 43.585 42.059 0.017 0.000 1.291 272 L HN 0.685 nan 8.230 nan 0.000 0.406 273 I N 5.254 125.812 120.570 -0.021 0.000 2.404 273 I HA 0.462 4.632 4.170 -0.001 0.000 0.293 273 I C -0.750 175.354 176.117 -0.021 0.000 0.992 273 I CA -0.957 60.349 61.300 0.009 0.000 1.149 273 I CB 2.030 40.045 38.000 0.025 0.000 1.315 273 I HN 0.277 nan 8.210 nan 0.000 0.446 274 V N 6.035 125.947 119.914 -0.004 0.000 2.333 274 V HA 0.488 4.608 4.120 -0.001 0.000 0.274 274 V C 0.530 176.622 176.094 -0.004 0.000 1.028 274 V CA -0.282 62.014 62.300 -0.006 0.000 0.851 274 V CB 1.143 32.969 31.823 0.006 0.000 1.000 274 V HN 0.874 nan 8.190 nan 0.000 0.456 275 A N 4.121 126.936 122.820 -0.009 0.000 2.959 275 A HA 0.460 4.780 4.320 -0.001 0.000 0.280 275 A C 0.936 178.517 177.584 -0.005 0.000 0.953 275 A CA -0.087 51.947 52.037 -0.005 0.000 1.047 275 A CB 0.515 19.512 19.000 -0.004 0.000 1.147 275 A HN 0.550 nan 8.150 nan 0.000 0.489 276 V N -0.246 119.667 119.914 -0.002 0.000 2.626 276 V HA 0.223 4.343 4.120 -0.001 0.000 0.252 276 V C 1.519 177.618 176.094 0.008 0.000 1.067 276 V CA 1.952 64.253 62.300 0.002 0.000 1.081 276 V CB -0.466 31.361 31.823 0.006 0.000 0.686 276 V HN 0.934 nan 8.190 nan 0.000 0.468 277 G N -0.999 107.808 108.800 0.012 0.000 2.335 277 G HA2 0.514 4.473 3.960 -0.001 0.000 0.291 277 G HA3 0.514 4.473 3.960 -0.001 0.000 0.291 277 G C -1.422 173.492 174.900 0.023 0.000 1.261 277 G CA -0.875 44.238 45.100 0.021 0.000 0.871 277 G HN 0.052 nan 8.290 nan 0.000 0.491 278 R N -0.575 119.947 120.500 0.036 0.000 2.643 278 R HA 0.602 4.942 4.340 -0.001 0.000 0.269 278 R C -0.765 175.565 176.300 0.051 0.000 1.037 278 R CA -0.887 55.234 56.100 0.035 0.000 0.894 278 R CB 2.734 33.057 30.300 0.039 0.000 1.238 278 R HN 0.885 nan 8.270 nan 0.000 0.459 279 R N 0.740 121.251 120.500 0.018 0.000 2.771 279 R HA 0.576 4.916 4.340 -0.001 0.000 0.274 279 R C -2.873 173.377 176.300 -0.084 0.000 0.987 279 R CA -2.147 53.931 56.100 -0.038 0.000 0.908 279 R CB 2.039 32.302 30.300 -0.062 0.000 1.213 279 R HN 0.246 nan 8.270 nan 0.000 0.468 280 P HA -0.004 nan 4.420 nan 0.000 0.271 280 P C -0.085 177.135 177.300 -0.134 0.000 1.216 280 P CA -0.377 62.604 63.100 -0.198 0.000 0.771 280 P CB 1.225 32.642 31.700 -0.471 0.000 0.864 281 V N 0.958 120.835 119.914 -0.062 0.000 2.350 281 V HA 0.464 4.584 4.120 -0.001 0.000 0.276 281 V C 0.756 176.828 176.094 -0.036 0.000 1.028 281 V CA -0.073 62.200 62.300 -0.044 0.000 0.860 281 V CB 0.535 32.348 31.823 -0.017 0.000 0.990 281 V HN 0.656 nan 8.190 nan 0.000 0.453 282 T N -0.431 114.101 114.554 -0.038 0.000 3.040 282 T HA 0.096 4.445 4.350 -0.001 0.000 0.266 282 T C 1.377 176.082 174.700 0.009 0.000 1.005 282 T CA 0.536 62.625 62.100 -0.018 0.000 0.906 282 T CB 0.133 68.980 68.868 -0.034 0.000 1.082 282 T HN 0.688 nan 8.240 nan 0.000 0.531 283 T N 3.021 117.587 114.554 0.019 0.000 2.110 283 T HA -0.210 4.139 4.350 -0.001 0.000 0.184 283 T C 0.483 175.237 174.700 0.091 0.000 1.743 283 T CA 2.186 64.317 62.100 0.052 0.000 1.046 283 T CB -0.504 68.403 68.868 0.064 0.000 0.835 283 T HN 0.458 nan 8.240 nan 0.000 0.407 284 D N 0.942 121.458 120.400 0.193 0.000 2.943 284 D HA 0.294 4.934 4.640 -0.001 0.000 0.347 284 D C 0.643 177.096 176.300 0.255 0.000 1.305 284 D CA -0.176 53.924 54.000 0.167 0.000 0.870 284 D CB 0.893 41.733 40.800 0.067 0.000 1.081 284 D HN 0.146 nan 8.370 nan 0.000 0.492 285 L N -0.242 121.063 121.223 0.136 0.000 2.316 285 L HA 0.263 4.603 4.340 -0.001 0.000 0.207 285 L C -0.101 176.812 176.870 0.072 0.000 1.070 285 L CA 1.093 55.988 54.840 0.092 0.000 0.820 285 L CB 0.385 42.458 42.059 0.023 0.000 0.992 285 L HN -0.014 nan 8.230 nan 0.000 0.466 286 L N 0.963 122.218 121.223 0.053 0.000 2.325 286 L HA 0.625 4.965 4.340 -0.001 0.000 0.281 286 L C 0.125 177.012 176.870 0.028 0.000 1.004 286 L CA -0.799 54.061 54.840 0.033 0.000 0.823 286 L CB 1.379 43.451 42.059 0.023 0.000 1.236 286 L HN 0.032 nan 8.230 nan 0.000 0.415 287 A N 2.381 125.214 122.820 0.022 0.000 2.511 287 A HA 0.394 4.713 4.320 -0.001 0.000 0.242 287 A C 1.454 179.042 177.584 0.006 0.000 1.069 287 A CA 0.441 52.485 52.037 0.012 0.000 0.763 287 A CB 0.544 19.548 19.000 0.007 0.000 1.001 287 A HN 0.999 nan 8.150 nan 0.000 0.498 288 A N 1.879 124.701 122.820 0.003 0.000 2.104 288 A HA -0.178 4.142 4.320 -0.001 0.000 0.223 288 A C 1.070 178.652 177.584 -0.002 0.000 1.164 288 A CA 2.013 54.050 52.037 -0.000 0.000 0.659 288 A CB -0.421 18.577 19.000 -0.003 0.000 0.808 288 A HN 0.910 nan 8.150 nan 0.000 0.465 289 D N -1.671 118.727 120.400 -0.002 0.000 2.720 289 D HA 0.090 4.729 4.640 -0.001 0.000 0.285 289 D C 0.931 177.228 176.300 -0.005 0.000 1.359 289 D CA 0.661 54.659 54.000 -0.005 0.000 0.818 289 D CB -0.470 40.327 40.800 -0.006 0.000 1.108 289 D HN 0.400 nan 8.370 nan 0.000 0.474 290 S N -0.078 115.621 115.700 -0.002 0.000 2.387 290 S HA 0.179 4.649 4.470 -0.001 0.000 0.226 290 S C 1.980 176.574 174.600 -0.009 0.000 1.026 290 S CA 1.088 59.285 58.200 -0.004 0.000 0.972 290 S CB -0.229 62.971 63.200 0.001 0.000 0.814 290 S HN 0.586 nan 8.310 nan 0.000 0.477 291 G N 0.127 108.924 108.800 -0.005 0.000 2.218 291 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.216 291 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.216 291 G C 0.041 174.942 174.900 0.003 0.000 0.994 291 G CA -0.129 44.968 45.100 -0.006 0.000 0.637 291 G HN 0.601 nan 8.290 nan 0.000 0.505 292 V N 2.647 122.566 119.914 0.009 0.000 2.530 292 V HA 0.527 4.647 4.120 -0.001 0.000 0.282 292 V C 0.912 177.028 176.094 0.037 0.000 1.048 292 V CA 0.572 62.889 62.300 0.028 0.000 0.997 292 V CB 1.322 33.158 31.823 0.022 0.000 0.987 292 V HN 0.351 nan 8.190 nan 0.000 0.477 293 T N 6.412 121.006 114.554 0.067 0.000 2.928 293 T HA 0.682 5.032 4.350 -0.001 0.000 0.284 293 T C -0.252 174.505 174.700 0.096 0.000 1.008 293 T CA -0.430 61.705 62.100 0.057 0.000 1.057 293 T CB 1.111 69.992 68.868 0.021 0.000 1.018 293 T HN 0.357 nan 8.240 nan 0.000 0.493 294 L N 2.038 123.300 121.223 0.064 0.000 2.333 294 L HA 0.523 4.863 4.340 -0.001 0.000 0.269 294 L C 0.436 177.363 176.870 0.095 0.000 1.010 294 L CA -1.263 53.629 54.840 0.085 0.000 0.818 294 L CB 1.522 43.600 42.059 0.033 0.000 1.306 294 L HN 0.727 nan 8.230 nan 0.000 0.430 295 D N 0.282 120.772 120.400 0.150 0.000 2.453 295 D HA 0.032 4.672 4.640 -0.001 0.000 0.282 295 D C 0.542 176.894 176.300 0.087 0.000 1.222 295 D CA -0.224 53.861 54.000 0.143 0.000 1.079 295 D CB 0.565 41.507 40.800 0.236 0.000 1.128 295 D HN 0.448 nan 8.370 nan 0.000 0.568 296 E N -1.037 119.215 120.200 0.086 0.000 2.208 296 E HA -0.014 4.336 4.350 -0.001 0.000 0.193 296 E C 1.911 178.541 176.600 0.051 0.000 0.988 296 E CA 0.974 57.407 56.400 0.056 0.000 0.828 296 E CB -0.142 29.591 29.700 0.054 0.000 0.763 296 E HN 0.367 nan 8.360 nan 0.000 0.478 297 R N -1.194 119.361 120.500 0.093 0.000 2.312 297 R HA 0.269 4.609 4.340 -0.001 0.000 0.205 297 R C 0.894 177.091 176.300 -0.171 0.000 0.904 297 R CA 0.591 56.718 56.100 0.044 0.000 1.052 297 R CB 0.770 31.211 30.300 0.236 0.000 1.014 297 R HN 0.272 nan 8.270 nan 0.000 0.503 298 G N -0.033 108.669 108.800 -0.164 0.000 2.231 298 G HA2 -0.229 3.731 3.960 -0.001 0.000 0.206 298 G HA3 -0.229 3.731 3.960 -0.001 0.000 0.206 298 G C -0.013 174.681 174.900 -0.342 0.000 0.996 298 G CA -0.727 44.209 45.100 -0.273 0.000 0.645 298 G HN 0.105 nan 8.290 nan 0.000 0.498 299 F N 1.680 121.647 119.950 0.029 0.000 2.471 299 F HA 0.545 5.072 4.527 -0.000 0.000 0.353 299 F C 1.522 177.350 175.800 0.047 0.000 1.113 299 F CA -0.506 57.510 58.000 0.027 0.000 1.262 299 F CB 0.505 39.514 39.000 0.016 0.000 1.146 299 F HN -0.009 nan 8.300 nan 0.000 0.578 300 I N 2.837 123.512 120.570 0.175 0.000 2.692 300 I HA -0.094 4.076 4.170 -0.001 0.000 0.284 300 I C -0.290 175.940 176.117 0.189 0.000 1.159 300 I CA -0.188 61.202 61.300 0.150 0.000 1.423 300 I CB 0.387 38.449 38.000 0.104 0.000 1.380 300 I HN 0.492 nan 8.210 nan 0.000 0.580 301 Y N 7.317 127.659 120.300 0.070 0.000 2.336 301 Y HA 0.487 5.037 4.550 -0.000 0.000 0.335 301 Y C -0.374 175.553 175.900 0.046 0.000 1.046 301 Y CA -0.493 57.641 58.100 0.056 0.000 1.198 301 Y CB 0.729 39.212 38.460 0.039 0.000 1.182 301 Y HN 0.268 nan 8.280 nan 0.000 0.502 302 V N 3.296 122.833 119.914 -0.628 0.000 3.130 302 V HA 0.546 4.665 4.120 -0.001 0.000 0.310 302 V C -0.764 174.975 176.094 -0.592 0.000 1.158 302 V CA -0.977 61.057 62.300 -0.444 0.000 1.029 302 V CB 1.713 33.439 31.823 -0.161 0.000 1.057 302 V HN 0.814 nan 8.190 nan 0.000 0.436 303 D N 0.078 120.294 120.400 -0.307 0.000 2.475 303 D HA 0.199 4.838 4.640 -0.001 0.000 0.286 303 D C 0.494 176.682 176.300 -0.186 0.000 1.205 303 D CA 0.024 53.901 54.000 -0.206 0.000 1.092 303 D CB 0.246 41.022 40.800 -0.040 0.000 1.147 303 D HN 0.553 nan 8.370 nan 0.000 0.575 304 D N -1.417 118.869 120.400 -0.189 0.000 2.269 304 D HA -0.112 4.528 4.640 -0.001 0.000 0.208 304 D C 0.893 176.998 176.300 -0.326 0.000 0.963 304 D CA 1.060 54.879 54.000 -0.300 0.000 0.864 304 D CB -0.292 40.286 40.800 -0.370 0.000 0.936 304 D HN 0.492 nan 8.370 nan 0.000 0.505 305 H N -0.890 118.196 119.070 0.026 0.000 2.507 305 H HA 0.248 4.804 4.556 -0.001 0.000 0.294 305 H C 0.706 176.059 175.328 0.041 0.000 1.064 305 H CA -0.384 55.685 56.048 0.035 0.000 1.138 305 H CB -0.213 29.566 29.762 0.028 0.000 1.515 305 H HN 0.014 nan 8.280 nan 0.000 0.547 306 C N 0.618 119.978 119.300 0.100 0.000 4.252 306 C HA -0.210 4.250 4.460 -0.001 0.000 0.285 306 C C 0.827 176.010 174.990 0.321 0.000 1.466 306 C CA 0.341 59.439 59.018 0.134 0.000 1.946 306 C CB -1.799 26.002 27.740 0.102 0.000 1.366 306 C HN 0.499 nan 8.230 nan 0.000 0.783 307 K N 1.704 122.330 120.400 0.377 0.000 2.412 307 K HA 0.288 4.608 4.320 -0.001 0.000 0.281 307 K C 1.030 177.698 176.600 0.113 0.000 1.027 307 K CA 0.920 57.420 56.287 0.355 0.000 0.989 307 K CB 0.923 33.589 32.500 0.276 0.000 0.935 307 K HN 0.741 nan 8.250 nan 0.000 0.475 308 T N -1.142 113.421 114.554 0.016 0.000 2.852 308 T HA 0.111 4.461 4.350 -0.001 0.000 0.281 308 T C 1.462 176.197 174.700 0.058 0.000 0.993 308 T CA -0.447 61.674 62.100 0.035 0.000 0.933 308 T CB 0.586 69.460 68.868 0.010 0.000 1.187 308 T HN 0.416 nan 8.240 nan 0.000 0.559 309 S N -0.367 115.406 115.700 0.121 0.000 2.440 309 S HA 0.007 4.476 4.470 -0.001 0.000 0.238 309 S C 1.089 175.703 174.600 0.022 0.000 1.010 309 S CA 0.451 58.711 58.200 0.101 0.000 0.972 309 S CB -1.014 62.248 63.200 0.102 0.000 0.774 309 S HN 1.058 nan 8.310 nan 0.000 0.501 310 V N 0.155 120.054 119.914 -0.026 0.000 2.459 310 V HA 0.583 4.702 4.120 -0.001 0.000 0.295 310 V C -3.086 172.937 176.094 -0.119 0.000 1.029 310 V CA -3.045 59.221 62.300 -0.056 0.000 0.874 310 V CB 1.763 33.553 31.823 -0.055 0.000 0.985 310 V HN -0.104 nan 8.190 nan 0.000 0.438 311 P HA 0.327 nan 4.420 nan 0.000 0.267 311 P C 0.891 178.075 177.300 -0.194 0.000 1.205 311 P CA 1.496 64.519 63.100 -0.127 0.000 0.765 311 P CB 1.142 32.809 31.700 -0.055 0.000 0.828 312 G N 1.304 109.898 108.800 -0.345 0.000 2.175 312 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.244 312 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.244 312 G C -0.204 174.339 174.900 -0.594 0.000 0.982 312 G CA -0.184 44.708 45.100 -0.347 0.000 0.641 312 G HN 0.558 nan 8.290 nan 0.000 0.527 313 V N 1.195 120.681 119.914 -0.714 0.000 2.495 313 V HA 0.818 4.938 4.120 -0.001 0.000 0.298 313 V C -0.539 175.100 176.094 -0.759 0.000 1.031 313 V CA -0.748 61.202 62.300 -0.584 0.000 0.871 313 V CB 1.404 33.082 31.823 -0.242 0.000 0.988 313 V HN 0.243 nan 8.190 nan 0.000 0.432 314 F N 2.522 122.484 119.950 0.020 0.000 2.577 314 F HA 0.878 5.405 4.527 -0.000 0.000 0.318 314 F C 0.317 176.126 175.800 0.016 0.000 1.065 314 F CA -0.845 57.166 58.000 0.018 0.000 0.929 314 F CB 2.061 41.071 39.000 0.017 0.000 1.237 314 F HN 0.524 nan 8.300 nan 0.000 0.468 315 A N 3.115 126.063 122.820 0.213 0.000 2.371 315 A HA 0.931 5.251 4.320 -0.001 0.000 0.311 315 A C -0.979 176.664 177.584 0.098 0.000 1.068 315 A CA -0.658 51.453 52.037 0.122 0.000 0.744 315 A CB 1.232 20.284 19.000 0.086 0.000 1.239 315 A HN 0.830 nan 8.150 nan 0.000 0.435 316 I N -0.951 119.661 120.570 0.069 0.000 2.994 316 I HA 0.900 5.070 4.170 -0.001 0.000 0.306 316 I C 0.389 176.523 176.117 0.027 0.000 1.195 316 I CA -0.180 61.144 61.300 0.041 0.000 1.001 316 I CB 1.997 40.007 38.000 0.018 0.000 1.244 316 I HN 1.785 nan 8.210 nan 0.000 0.437 317 G N 3.936 112.742 108.800 0.011 0.000 2.496 317 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.243 317 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.243 317 G C -0.027 174.888 174.900 0.025 0.000 1.176 317 G CA 0.621 45.718 45.100 -0.005 0.000 0.940 317 G HN 0.783 nan 8.290 nan 0.000 0.573 318 D N 0.697 121.121 120.400 0.040 0.000 2.348 318 D HA 0.088 4.728 4.640 -0.001 0.000 0.216 318 D C 2.601 179.035 176.300 0.222 0.000 0.970 318 D CA 1.489 55.547 54.000 0.097 0.000 0.889 318 D CB -0.124 40.718 40.800 0.071 0.000 0.912 318 D HN 0.801 nan 8.370 nan 0.000 0.524 319 V N -1.426 118.592 119.914 0.173 0.000 3.217 319 V HA 0.021 4.140 4.120 -0.001 0.000 0.264 319 V C 1.148 177.474 176.094 0.386 0.000 1.135 319 V CA 0.237 62.670 62.300 0.222 0.000 1.142 319 V CB -1.200 30.683 31.823 0.099 0.000 0.754 319 V HN 0.028 nan 8.190 nan 0.000 0.484 320 V N -0.917 119.137 119.914 0.235 0.000 3.177 320 V HA 0.727 4.846 4.120 -0.001 0.000 0.319 320 V C 0.290 176.313 176.094 -0.118 0.000 1.125 320 V CA -1.648 60.726 62.300 0.124 0.000 1.029 320 V CB 1.444 33.282 31.823 0.025 0.000 1.119 320 V HN 0.533 nan 8.190 nan 0.000 0.452 321 R N 1.079 121.423 120.500 -0.260 0.000 2.623 321 R HA 0.710 5.050 4.340 -0.001 0.000 0.271 321 R C 0.428 176.556 176.300 -0.287 0.000 1.043 321 R CA 0.737 56.590 56.100 -0.410 0.000 1.083 321 R CB -0.532 29.569 30.300 -0.333 0.000 0.974 321 R HN 2.017 nan 8.270 nan 0.000 0.436 322 G N -0.269 108.354 108.800 -0.294 0.000 2.325 322 G HA2 0.357 4.317 3.960 -0.001 0.000 0.285 322 G HA3 0.357 4.317 3.960 -0.001 0.000 0.285 322 G C -1.499 173.317 174.900 -0.139 0.000 1.303 322 G CA -0.621 44.377 45.100 -0.170 0.000 0.970 322 G HN 0.810 nan 8.290 nan 0.000 0.490 323 A N -0.057 122.713 122.820 -0.083 0.000 2.331 323 A HA 0.666 4.986 4.320 -0.001 0.000 0.283 323 A C 0.827 178.350 177.584 -0.100 0.000 1.142 323 A CA -0.158 51.826 52.037 -0.090 0.000 0.812 323 A CB 0.131 19.078 19.000 -0.088 0.000 1.074 323 A HN 0.725 nan 8.150 nan 0.000 0.497 324 M N 3.669 123.223 119.600 -0.076 0.000 3.237 324 M HA 0.222 4.701 4.480 -0.001 0.000 0.266 324 M C -1.249 175.004 176.300 -0.080 0.000 1.456 324 M CA 0.789 56.055 55.300 -0.057 0.000 1.593 324 M CB -1.127 31.469 32.600 -0.008 0.000 1.129 324 M HN 0.447 nan 8.290 nan 0.000 0.547 325 L N 0.120 121.255 121.223 -0.146 0.000 2.410 325 L HA 0.523 4.863 4.340 -0.001 0.000 0.270 325 L C 1.118 177.837 176.870 -0.252 0.000 0.983 325 L CA -0.569 54.146 54.840 -0.209 0.000 0.822 325 L CB 1.830 43.655 42.059 -0.390 0.000 1.285 325 L HN 0.545 nan 8.230 nan 0.000 0.409 326 A N 1.769 124.509 122.820 -0.133 0.000 1.927 326 A HA -0.253 4.067 4.320 -0.001 0.000 0.220 326 A C 1.918 179.428 177.584 -0.124 0.000 1.185 326 A CA 2.280 54.264 52.037 -0.089 0.000 0.639 326 A CB -0.857 18.142 19.000 -0.002 0.000 0.820 326 A HN 0.937 nan 8.150 nan 0.000 0.451 327 H N -1.260 117.764 119.070 -0.077 0.000 2.529 327 H HA 0.062 4.618 4.556 -0.000 0.000 0.277 327 H C 1.688 176.952 175.328 -0.106 0.000 0.999 327 H CA 1.207 57.200 56.048 -0.092 0.000 1.256 327 H CB -0.389 29.322 29.762 -0.086 0.000 1.402 327 H HN 0.535 nan 8.280 nan 0.000 0.566 328 K N 1.648 121.776 120.400 -0.453 0.000 2.031 328 K HA -0.002 4.317 4.320 -0.001 0.000 0.205 328 K C 2.262 178.756 176.600 -0.177 0.000 1.049 328 K CA 1.038 57.154 56.287 -0.286 0.000 0.939 328 K CB -0.126 32.218 32.500 -0.259 0.000 0.717 328 K HN 0.241 nan 8.250 nan 0.000 0.438 329 A N 1.402 124.126 122.820 -0.159 0.000 1.851 329 A HA -0.177 4.143 4.320 -0.001 0.000 0.216 329 A C 2.243 179.751 177.584 -0.127 0.000 1.195 329 A CA 2.598 54.567 52.037 -0.114 0.000 0.622 329 A CB -0.932 18.004 19.000 -0.106 0.000 0.831 329 A HN 0.532 nan 8.150 nan 0.000 0.444 330 S N 0.083 115.695 115.700 -0.148 0.000 2.383 330 S HA -0.176 4.293 4.470 -0.001 0.000 0.229 330 S C 1.702 176.226 174.600 -0.127 0.000 1.030 330 S CA 1.358 59.461 58.200 -0.161 0.000 1.002 330 S CB -0.398 62.705 63.200 -0.162 0.000 0.829 330 S HN 0.566 nan 8.310 nan 0.000 0.467 331 E N 1.352 121.480 120.200 -0.121 0.000 2.152 331 E HA -0.059 4.290 4.350 -0.001 0.000 0.192 331 E C 2.076 178.598 176.600 -0.130 0.000 0.983 331 E CA 0.756 57.081 56.400 -0.125 0.000 0.818 331 E CB -0.240 29.369 29.700 -0.150 0.000 0.758 331 E HN 0.685 nan 8.360 nan 0.000 0.467 332 E N -0.031 120.096 120.200 -0.122 0.000 2.077 332 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 332 E C 2.110 178.662 176.600 -0.079 0.000 0.989 332 E CA 0.899 57.251 56.400 -0.081 0.000 0.800 332 E CB -0.266 29.415 29.700 -0.033 0.000 0.746 332 E HN 0.278 nan 8.360 nan 0.000 0.452 333 G N 0.866 109.615 108.800 -0.084 0.000 2.513 333 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.219 333 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.219 333 G C 1.700 176.551 174.900 -0.081 0.000 1.160 333 G CA 1.187 46.239 45.100 -0.080 0.000 0.767 333 G HN 0.161 nan 8.290 nan 0.000 0.571 334 V N 0.813 120.678 119.914 -0.082 0.000 2.407 334 V HA -0.105 4.014 4.120 -0.001 0.000 0.245 334 V C 2.625 178.676 176.094 -0.071 0.000 1.041 334 V CA 1.924 64.185 62.300 -0.065 0.000 1.040 334 V CB -0.361 31.428 31.823 -0.057 0.000 0.671 334 V HN 0.501 nan 8.190 nan 0.000 0.455 335 M N 0.014 119.565 119.600 -0.083 0.000 2.073 335 M HA -0.206 4.274 4.480 -0.001 0.000 0.258 335 M C 2.156 178.382 176.300 -0.123 0.000 1.070 335 M CA 2.238 57.492 55.300 -0.076 0.000 1.103 335 M CB -0.237 32.324 32.600 -0.065 0.000 1.321 335 M HN 0.197 nan 8.290 nan 0.000 0.405 336 V N 0.929 120.736 119.914 -0.178 0.000 2.287 336 V HA -0.277 3.842 4.120 -0.001 0.000 0.248 336 V C 2.729 178.638 176.094 -0.308 0.000 1.053 336 V CA 2.073 64.165 62.300 -0.348 0.000 1.027 336 V CB -1.454 30.172 31.823 -0.327 0.000 0.646 336 V HN 0.699 nan 8.190 nan 0.000 0.447 337 A N -0.539 122.178 122.820 -0.172 0.000 1.902 337 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 337 A C 2.152 179.659 177.584 -0.127 0.000 1.181 337 A CA 2.082 54.047 52.037 -0.121 0.000 0.623 337 A CB -0.529 18.434 19.000 -0.061 0.000 0.818 337 A HN 0.543 nan 8.150 nan 0.000 0.443 338 E N -0.076 120.064 120.200 -0.100 0.000 2.058 338 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 338 E C 2.261 178.741 176.600 -0.200 0.000 0.997 338 E CA 1.475 57.837 56.400 -0.064 0.000 0.801 338 E CB -0.185 29.537 29.700 0.036 0.000 0.746 338 E HN 0.584 nan 8.360 nan 0.000 0.450 339 R N -0.237 120.157 120.500 -0.177 0.000 2.073 339 R HA -0.065 4.275 4.340 -0.001 0.000 0.234 339 R C 2.549 178.732 176.300 -0.195 0.000 1.134 339 R CA 1.491 57.477 56.100 -0.190 0.000 0.952 339 R CB -0.475 29.701 30.300 -0.208 0.000 0.850 339 R HN 0.260 nan 8.270 nan 0.000 0.433 340 I N 0.670 121.118 120.570 -0.202 0.000 2.194 340 I HA -0.294 3.876 4.170 -0.001 0.000 0.246 340 I C 2.293 178.338 176.117 -0.120 0.000 1.093 340 I CA 1.446 62.690 61.300 -0.094 0.000 1.355 340 I CB -0.322 37.644 38.000 -0.057 0.000 1.046 340 I HN 0.218 nan 8.210 nan 0.000 0.413 341 A N 0.057 122.752 122.820 -0.209 0.000 2.239 341 A HA 0.236 4.555 4.320 -0.001 0.000 0.209 341 A C 1.693 179.049 177.584 -0.379 0.000 1.171 341 A CA 0.952 52.831 52.037 -0.263 0.000 0.768 341 A CB -0.560 18.254 19.000 -0.310 0.000 0.790 341 A HN 0.647 nan 8.150 nan 0.000 0.478 342 G N -1.363 107.221 108.800 -0.360 0.000 2.135 342 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.183 342 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.183 342 G C -0.250 174.550 174.900 -0.168 0.000 1.004 342 G CA 0.044 45.008 45.100 -0.228 0.000 0.677 342 G HN 0.803 nan 8.290 nan 0.000 0.512 343 H N -0.499 118.551 119.070 -0.034 0.000 2.495 343 H HA 0.604 5.159 4.556 -0.000 0.000 0.348 343 H C -0.201 175.101 175.328 -0.043 0.000 1.113 343 H CA -1.025 55.003 56.048 -0.033 0.000 1.195 343 H CB 1.489 31.232 29.762 -0.032 0.000 1.521 343 H HN -0.022 nan 8.280 nan 0.000 0.509 344 K N 2.045 122.490 120.400 0.077 0.000 2.502 344 K HA 0.284 4.604 4.320 -0.001 0.000 0.244 344 K C -0.367 176.254 176.600 0.036 0.000 1.249 344 K CA -0.317 55.980 56.287 0.016 0.000 1.193 344 K CB 0.117 32.615 32.500 -0.003 0.000 1.674 344 K HN 0.606 nan 8.250 nan 0.000 0.302 345 A N 1.943 124.789 122.820 0.043 0.000 2.477 345 A HA 0.204 4.523 4.320 -0.001 0.000 0.246 345 A C -0.127 177.496 177.584 0.066 0.000 1.078 345 A CA -0.164 51.895 52.037 0.038 0.000 0.770 345 A CB 0.318 19.332 19.000 0.023 0.000 1.011 345 A HN 0.394 nan 8.150 nan 0.000 0.494 346 Q N 0.364 120.189 119.800 0.041 0.000 2.399 346 Q HA 0.613 4.953 4.340 -0.001 0.000 0.276 346 Q C -0.882 175.096 176.000 -0.037 0.000 1.098 346 Q CA -0.605 55.229 55.803 0.051 0.000 0.827 346 Q CB 2.074 30.842 28.738 0.049 0.000 1.386 346 Q HN 0.830 nan 8.270 nan 0.000 0.443 347 M N 1.878 121.428 119.600 -0.084 0.000 2.321 347 M HA 0.386 4.865 4.480 -0.001 0.000 0.315 347 M C -1.107 175.032 176.300 -0.268 0.000 1.052 347 M CA -0.413 54.738 55.300 -0.248 0.000 0.936 347 M CB 1.327 33.697 32.600 -0.383 0.000 1.639 347 M HN 0.367 nan 8.290 nan 0.000 0.433 348 N N 3.698 122.245 118.700 -0.255 0.000 2.439 348 N HA 0.132 4.872 4.740 -0.001 0.000 0.243 348 N C -0.736 174.659 175.510 -0.192 0.000 1.088 348 N CA 0.168 53.130 53.050 -0.148 0.000 0.940 348 N CB 0.107 38.529 38.487 -0.109 0.000 1.180 348 N HN 0.782 nan 8.380 nan 0.000 0.505 349 Y N 0.926 121.185 120.300 -0.068 0.000 2.583 349 Y HA 0.034 4.583 4.550 -0.001 0.000 0.293 349 Y C 1.308 177.176 175.900 -0.052 0.000 1.157 349 Y CA 0.361 58.419 58.100 -0.069 0.000 1.315 349 Y CB 0.426 38.837 38.460 -0.082 0.000 1.021 349 Y HN 0.501 nan 8.280 nan 0.000 0.536 350 D N -0.233 120.209 120.400 0.069 0.000 2.277 350 D HA -0.008 4.632 4.640 -0.001 0.000 0.208 350 D C 1.017 177.326 176.300 0.016 0.000 0.962 350 D CA 0.866 54.893 54.000 0.044 0.000 0.865 350 D CB 0.209 41.029 40.800 0.033 0.000 0.939 350 D HN 0.352 nan 8.370 nan 0.000 0.510 351 L N 1.292 122.507 121.223 -0.014 0.000 2.978 351 L HA 0.298 4.638 4.340 -0.001 0.000 0.239 351 L C 0.117 176.964 176.870 -0.038 0.000 1.293 351 L CA -0.304 54.519 54.840 -0.028 0.000 1.085 351 L CB 0.205 42.239 42.059 -0.041 0.000 1.432 351 L HN -0.236 nan 8.230 nan 0.000 0.512 352 I N 1.483 122.036 120.570 -0.029 0.000 2.371 352 I HA 0.199 4.369 4.170 -0.001 0.000 0.290 352 I C -1.883 174.211 176.117 -0.037 0.000 1.028 352 I CA -1.443 59.853 61.300 -0.008 0.000 1.345 352 I CB 1.070 39.051 38.000 -0.032 0.000 1.407 352 I HN -0.035 nan 8.210 nan 0.000 0.501 353 P HA 0.248 nan 4.420 nan 0.000 0.274 353 P C -1.300 175.840 177.300 -0.267 0.000 1.237 353 P CA -0.432 62.558 63.100 -0.184 0.000 0.793 353 P CB 0.824 32.397 31.700 -0.210 0.000 0.977 354 S N 0.003 115.342 115.700 -0.601 0.000 2.513 354 S HA 0.682 5.152 4.470 -0.001 0.000 0.299 354 S C -0.748 173.459 174.600 -0.656 0.000 1.087 354 S CA -0.661 57.101 58.200 -0.729 0.000 1.012 354 S CB 1.377 63.746 63.200 -1.386 0.000 1.044 354 S HN 0.157 nan 8.310 nan 0.000 0.485 355 V N 2.780 122.429 119.914 -0.442 0.000 2.841 355 V HA 0.533 4.652 4.120 -0.001 0.000 0.310 355 V C -1.007 174.867 176.094 -0.367 0.000 1.090 355 V CA -0.619 61.406 62.300 -0.459 0.000 0.930 355 V CB 1.859 33.304 31.823 -0.629 0.000 1.014 355 V HN 0.861 nan 8.190 nan 0.000 0.425 356 I N 3.617 124.016 120.570 -0.285 0.000 2.406 356 I HA 0.388 4.558 4.170 -0.001 0.000 0.290 356 I C -0.967 175.045 176.117 -0.175 0.000 0.999 356 I CA -0.526 60.717 61.300 -0.094 0.000 1.124 356 I CB 1.913 39.938 38.000 0.041 0.000 1.289 356 I HN 0.610 nan 8.210 nan 0.000 0.441 357 Y N 4.083 124.372 120.300 -0.019 0.000 2.933 357 Y HA 0.124 4.673 4.550 -0.001 0.000 0.380 357 Y C 1.277 177.156 175.900 -0.035 0.000 1.056 357 Y CA -0.632 57.447 58.100 -0.035 0.000 1.704 357 Y CB -0.332 38.103 38.460 -0.041 0.000 1.558 357 Y HN 0.497 nan 8.280 nan 0.000 0.501 358 T N -3.150 111.434 114.554 0.050 0.000 2.788 358 T HA 0.174 4.524 4.350 -0.001 0.000 0.280 358 T C -0.608 174.076 174.700 -0.027 0.000 0.984 358 T CA -0.574 61.544 62.100 0.030 0.000 0.972 358 T CB 1.174 70.065 68.868 0.039 0.000 1.039 358 T HN 0.405 nan 8.240 nan 0.000 0.530 359 H N 1.783 120.784 119.070 -0.115 0.000 2.638 359 H HA 0.433 4.989 4.556 -0.001 0.000 0.317 359 H C -2.457 172.813 175.328 -0.097 0.000 1.006 359 H CA -1.834 54.090 56.048 -0.206 0.000 1.222 359 H CB 1.054 30.521 29.762 -0.492 0.000 1.419 359 H HN 0.434 nan 8.280 nan 0.000 0.489 360 P HA 0.049 nan 4.420 nan 0.000 0.274 360 P C -0.468 176.675 177.300 -0.262 0.000 1.237 360 P CA -0.424 62.402 63.100 -0.457 0.000 0.793 360 P CB 1.315 32.866 31.700 -0.248 0.000 0.977 361 E N 1.337 121.369 120.200 -0.280 0.000 2.229 361 E HA 0.302 4.652 4.350 -0.001 0.000 0.283 361 E C -0.542 176.005 176.600 -0.088 0.000 1.030 361 E CA -0.708 55.587 56.400 -0.176 0.000 0.836 361 E CB 0.256 29.828 29.700 -0.212 0.000 1.068 361 E HN 0.229 nan 8.360 nan 0.000 0.401 362 I N 3.289 123.848 120.570 -0.018 0.000 2.612 362 I HA 0.488 4.657 4.170 -0.001 0.000 0.295 362 I C 0.026 176.201 176.117 0.097 0.000 1.011 362 I CA 0.182 61.545 61.300 0.106 0.000 1.326 362 I CB 1.660 39.787 38.000 0.211 0.000 1.427 362 I HN 0.660 nan 8.210 nan 0.000 0.537 363 A N 4.270 127.233 122.820 0.238 0.000 2.599 363 A HA 0.762 5.082 4.320 -0.001 0.000 0.294 363 A C -2.026 175.756 177.584 0.331 0.000 1.055 363 A CA -0.665 51.441 52.037 0.115 0.000 0.683 363 A CB 0.653 19.611 19.000 -0.069 0.000 1.278 363 A HN 0.854 nan 8.150 nan 0.000 0.412 364 W N -0.416 120.823 121.300 -0.101 0.000 2.959 364 W HA 0.778 5.437 4.660 -0.001 0.000 0.358 364 W C -1.591 174.817 176.519 -0.184 0.000 1.228 364 W CA -0.895 56.332 57.345 -0.196 0.000 1.183 364 W CB 1.113 30.447 29.460 -0.210 0.000 1.467 364 W HN 1.284 nan 8.180 nan 0.000 0.578 365 V N 1.512 121.394 119.914 -0.053 0.000 3.147 365 V HA 0.855 4.974 4.120 -0.001 0.000 0.299 365 V C 0.080 176.162 176.094 -0.021 0.000 1.302 365 V CA 0.250 62.513 62.300 -0.061 0.000 1.015 365 V CB 1.266 33.048 31.823 -0.068 0.000 1.086 365 V HN 2.337 nan 8.190 nan 0.000 0.437 366 G N 3.975 112.798 108.800 0.037 0.000 2.760 366 G HA2 -0.112 3.848 3.960 -0.001 0.000 0.246 366 G HA3 -0.112 3.848 3.960 -0.001 0.000 0.246 366 G C -0.681 174.311 174.900 0.154 0.000 1.359 366 G CA -0.045 45.096 45.100 0.069 0.000 0.861 366 G HN 1.005 nan 8.290 nan 0.000 0.541 367 K N -0.206 120.291 120.400 0.161 0.000 2.154 367 K HA 0.511 4.831 4.320 -0.001 0.000 0.264 367 K C 0.736 177.494 176.600 0.263 0.000 1.008 367 K CA -0.123 56.270 56.287 0.177 0.000 0.937 367 K CB 1.186 33.749 32.500 0.106 0.000 1.002 367 K HN 0.554 nan 8.250 nan 0.000 0.469 368 T N 0.448 115.100 114.554 0.164 0.000 2.788 368 T HA -0.007 4.343 4.350 -0.001 0.000 0.280 368 T C 1.360 176.020 174.700 -0.067 0.000 0.984 368 T CA -0.270 61.834 62.100 0.006 0.000 0.972 368 T CB 1.051 69.905 68.868 -0.024 0.000 1.039 368 T HN 0.663 nan 8.240 nan 0.000 0.530 369 E N -0.084 120.014 120.200 -0.171 0.000 2.028 369 E HA -0.161 4.188 4.350 -0.001 0.000 0.191 369 E C 2.229 178.791 176.600 -0.063 0.000 0.988 369 E CA 1.055 57.390 56.400 -0.109 0.000 0.799 369 E CB -0.033 29.585 29.700 -0.136 0.000 0.755 369 E HN 0.623 nan 8.360 nan 0.000 0.447 370 Q N 0.117 119.874 119.800 -0.073 0.000 2.181 370 Q HA -0.145 4.194 4.340 -0.001 0.000 0.205 370 Q C 2.018 178.003 176.000 -0.025 0.000 0.980 370 Q CA 1.778 57.553 55.803 -0.046 0.000 0.862 370 Q CB -0.917 27.791 28.738 -0.051 0.000 0.905 370 Q HN 0.189 nan 8.270 nan 0.000 0.429 371 T N 2.573 117.118 114.554 -0.017 0.000 2.622 371 T HA -0.057 4.293 4.350 -0.001 0.000 0.266 371 T C 2.120 176.822 174.700 0.004 0.000 1.047 371 T CA 1.564 63.666 62.100 0.003 0.000 1.159 371 T CB -0.337 68.546 68.868 0.024 0.000 0.863 371 T HN 0.210 nan 8.240 nan 0.000 0.422 372 L N 0.466 121.692 121.223 0.005 0.000 2.127 372 L HA -0.121 4.219 4.340 -0.001 0.000 0.211 372 L C 2.743 179.612 176.870 -0.001 0.000 1.089 372 L CA 1.052 55.896 54.840 0.007 0.000 0.757 372 L CB -0.469 41.596 42.059 0.010 0.000 0.899 372 L HN 0.107 nan 8.230 nan 0.000 0.434 373 K N 0.217 120.611 120.400 -0.010 0.000 2.025 373 K HA -0.040 4.280 4.320 -0.001 0.000 0.207 373 K C 2.203 178.799 176.600 -0.007 0.000 1.049 373 K CA 1.470 57.750 56.287 -0.011 0.000 0.933 373 K CB -0.494 31.995 32.500 -0.018 0.000 0.714 373 K HN 0.260 nan 8.250 nan 0.000 0.438 374 A N 1.597 124.413 122.820 -0.006 0.000 2.015 374 A HA -0.133 4.186 4.320 -0.001 0.000 0.219 374 A C 1.701 179.286 177.584 0.000 0.000 1.163 374 A CA 1.191 53.226 52.037 -0.003 0.000 0.646 374 A CB -0.275 18.723 19.000 -0.003 0.000 0.806 374 A HN 0.365 nan 8.150 nan 0.000 0.448 375 E N -0.957 119.245 120.200 0.002 0.000 2.502 375 E HA 0.209 4.559 4.350 -0.001 0.000 0.194 375 E C 0.895 177.497 176.600 0.004 0.000 1.062 375 E CA 0.193 56.596 56.400 0.005 0.000 0.867 375 E CB -0.215 29.491 29.700 0.009 0.000 0.888 375 E HN 0.705 nan 8.360 nan 0.000 0.510 376 G N 1.580 110.382 108.800 0.002 0.000 2.272 376 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.280 376 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.280 376 G C 0.056 174.958 174.900 0.003 0.000 1.067 376 G CA 0.171 45.272 45.100 0.002 0.000 0.902 376 G HN 0.139 nan 8.290 nan 0.000 0.500 377 V N 0.464 120.381 119.914 0.004 0.000 2.435 377 V HA 0.534 4.654 4.120 -0.001 0.000 0.290 377 V C 0.495 176.591 176.094 0.004 0.000 1.030 377 V CA -0.557 61.747 62.300 0.006 0.000 0.881 377 V CB 1.686 33.515 31.823 0.010 0.000 0.983 377 V HN 0.588 nan 8.190 nan 0.000 0.445 378 E N 4.430 124.633 120.200 0.004 0.000 2.146 378 E HA 0.603 4.953 4.350 -0.001 0.000 0.282 378 E C -0.769 175.833 176.600 0.004 0.000 0.989 378 E CA -0.662 55.739 56.400 0.002 0.000 0.799 378 E CB 1.809 31.510 29.700 0.002 0.000 1.088 378 E HN 0.509 nan 8.360 nan 0.000 0.397 379 V N 0.646 120.560 119.914 0.001 0.000 2.604 379 V HA 0.472 4.592 4.120 -0.001 0.000 0.305 379 V C -0.541 175.552 176.094 -0.002 0.000 1.043 379 V CA -1.207 61.094 62.300 0.003 0.000 0.888 379 V CB 1.715 33.540 31.823 0.004 0.000 0.995 379 V HN 0.582 nan 8.190 nan 0.000 0.429 380 N N 2.240 120.940 118.700 -0.001 0.000 2.518 380 N HA 0.596 5.336 4.740 -0.001 0.000 0.283 380 N C -0.365 175.140 175.510 -0.009 0.000 1.119 380 N CA -0.159 52.886 53.050 -0.007 0.000 0.983 380 N CB 2.172 40.654 38.487 -0.008 0.000 1.139 380 N HN 1.021 nan 8.380 nan 0.000 0.465 381 V N -1.322 118.583 119.914 -0.016 0.000 2.680 381 V HA 0.948 5.068 4.120 -0.001 0.000 0.309 381 V C 0.235 176.316 176.094 -0.022 0.000 1.052 381 V CA -0.732 61.559 62.300 -0.016 0.000 0.908 381 V CB 1.436 33.245 31.823 -0.023 0.000 1.001 381 V HN 0.585 nan 8.190 nan 0.000 0.431 382 G N 1.907 110.695 108.800 -0.021 0.000 2.452 382 G HA2 0.646 4.605 3.960 -0.001 0.000 0.324 382 G HA3 0.646 4.605 3.960 -0.001 0.000 0.324 382 G C -0.671 174.222 174.900 -0.011 0.000 1.214 382 G CA -0.550 44.533 45.100 -0.028 0.000 0.947 382 G HN 0.924 nan 8.290 nan 0.000 0.478 383 T N 0.575 115.126 114.554 -0.004 0.000 2.907 383 T HA 0.661 5.011 4.350 -0.001 0.000 0.292 383 T C -1.742 172.988 174.700 0.050 0.000 1.043 383 T CA -0.265 61.835 62.100 -0.001 0.000 1.003 383 T CB 1.418 70.267 68.868 -0.032 0.000 1.084 383 T HN 0.433 nan 8.240 nan 0.000 0.483 384 F N 4.902 124.754 119.950 -0.163 0.000 2.689 384 F HA 0.460 4.986 4.527 -0.001 0.000 0.332 384 F C -2.661 172.963 175.800 -0.292 0.000 1.209 384 F CA -1.867 56.012 58.000 -0.202 0.000 1.028 384 F CB 1.834 40.699 39.000 -0.226 0.000 1.291 384 F HN 0.262 nan 8.300 nan 0.000 0.500 385 P HA 0.157 nan 4.420 nan 0.000 0.277 385 P C 0.300 177.264 177.300 -0.560 0.000 1.240 385 P CA -0.072 62.700 63.100 -0.547 0.000 0.798 385 P CB 1.014 32.475 31.700 -0.399 0.000 0.979 386 F N 0.921 120.833 119.950 -0.064 0.000 2.661 386 F HA 0.028 4.554 4.527 -0.001 0.000 0.298 386 F C 2.440 178.239 175.800 -0.002 0.000 1.137 386 F CA 1.012 59.031 58.000 0.031 0.000 1.454 386 F CB -0.971 38.057 39.000 0.047 0.000 1.103 386 F HN 0.338 nan 8.300 nan 0.000 0.577 387 A N -0.212 122.625 122.820 0.027 0.000 2.014 387 A HA 0.116 4.435 4.320 -0.001 0.000 0.218 387 A C 2.153 179.715 177.584 -0.037 0.000 1.163 387 A CA 1.200 53.240 52.037 0.005 0.000 0.652 387 A CB -0.869 18.108 19.000 -0.040 0.000 0.808 387 A HN 0.176 nan 8.150 nan 0.000 0.449 388 A N -0.477 122.237 122.820 -0.176 0.000 2.359 388 A HA 0.423 4.743 4.320 -0.001 0.000 0.240 388 A C 0.914 178.614 177.584 0.193 0.000 1.306 388 A CA 0.503 52.505 52.037 -0.058 0.000 0.898 388 A CB -0.558 18.300 19.000 -0.237 0.000 0.956 388 A HN 0.309 nan 8.150 nan 0.000 0.497 389 S N -0.735 115.094 115.700 0.215 0.000 2.429 389 S HA 0.471 4.941 4.470 -0.001 0.000 0.302 389 S C 1.510 176.210 174.600 0.167 0.000 1.115 389 S CA -0.010 58.354 58.200 0.272 0.000 1.095 389 S CB 1.003 64.436 63.200 0.388 0.000 0.987 389 S HN 0.507 nan 8.310 nan 0.000 0.474 390 G N 4.453 113.324 108.800 0.117 0.000 2.446 390 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.217 390 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.217 390 G C 1.410 176.340 174.900 0.051 0.000 1.168 390 G CA 0.961 46.108 45.100 0.079 0.000 0.771 390 G HN 0.683 nan 8.290 nan 0.000 0.551 391 R N 0.837 121.356 120.500 0.032 0.000 2.092 391 R HA 0.192 4.532 4.340 -0.001 0.000 0.231 391 R C 2.714 179.055 176.300 0.068 0.000 1.119 391 R CA 1.650 57.764 56.100 0.022 0.000 0.970 391 R CB -0.585 29.722 30.300 0.011 0.000 0.864 391 R HN 0.246 nan 8.270 nan 0.000 0.440 392 A N 0.062 122.955 122.820 0.122 0.000 1.929 392 A HA -0.086 4.234 4.320 -0.001 0.000 0.216 392 A C 2.201 179.850 177.584 0.107 0.000 1.176 392 A CA 1.408 53.520 52.037 0.125 0.000 0.628 392 A CB -0.407 18.727 19.000 0.223 0.000 0.816 392 A HN 0.406 nan 8.150 nan 0.000 0.444 393 M N -0.592 119.070 119.600 0.103 0.000 2.117 393 M HA -0.139 4.340 4.480 -0.001 0.000 0.262 393 M C 2.510 178.852 176.300 0.070 0.000 1.065 393 M CA 1.391 56.739 55.300 0.081 0.000 1.114 393 M CB -0.306 32.337 32.600 0.073 0.000 1.361 393 M HN 0.493 nan 8.290 nan 0.000 0.408 394 A N 0.228 123.087 122.820 0.065 0.000 1.883 394 A HA -0.162 4.158 4.320 -0.001 0.000 0.217 394 A C 2.238 179.879 177.584 0.095 0.000 1.186 394 A CA 2.096 54.172 52.037 0.064 0.000 0.624 394 A CB -1.137 17.890 19.000 0.045 0.000 0.822 394 A HN 0.550 nan 8.150 nan 0.000 0.444 395 A N -1.288 121.586 122.820 0.091 0.000 2.121 395 A HA 0.005 4.325 4.320 -0.001 0.000 0.218 395 A C 1.168 178.848 177.584 0.159 0.000 1.154 395 A CA 1.517 53.621 52.037 0.111 0.000 0.679 395 A CB -0.588 18.460 19.000 0.080 0.000 0.795 395 A HN 1.020 nan 8.150 nan 0.000 0.458 396 N N -1.074 117.707 118.700 0.135 0.000 2.776 396 N HA -0.148 4.591 4.740 -0.001 0.000 0.249 396 N C -1.070 174.524 175.510 0.141 0.000 1.111 396 N CA 1.097 54.224 53.050 0.127 0.000 0.711 396 N CB -1.506 37.082 38.487 0.168 0.000 1.065 396 N HN 0.421 nan 8.380 nan 0.000 0.556 397 D N -0.546 119.927 120.400 0.122 0.000 2.412 397 D HA 0.349 4.988 4.640 -0.001 0.000 0.276 397 D C 0.519 176.864 176.300 0.075 0.000 1.196 397 D CA 0.150 54.220 54.000 0.116 0.000 0.905 397 D CB 0.184 41.047 40.800 0.105 0.000 1.081 397 D HN 0.339 nan 8.370 nan 0.000 0.502 398 T N -1.944 112.672 114.554 0.103 0.000 3.044 398 T HA 0.133 4.482 4.350 -0.001 0.000 0.260 398 T C 0.904 175.711 174.700 0.177 0.000 1.019 398 T CA -0.211 61.980 62.100 0.152 0.000 0.921 398 T CB 0.176 69.118 68.868 0.124 0.000 1.053 398 T HN 0.041 nan 8.240 nan 0.000 0.533 399 T N 2.693 117.318 114.554 0.118 0.000 2.916 399 T HA 0.536 4.886 4.350 -0.001 0.000 0.303 399 T C 0.773 175.582 174.700 0.181 0.000 1.025 399 T CA 0.741 62.908 62.100 0.111 0.000 1.142 399 T CB 0.386 69.294 68.868 0.068 0.000 0.947 399 T HN 0.887 nan 8.240 nan 0.000 0.544 400 G N 1.335 110.256 108.800 0.203 0.000 2.408 400 G HA2 0.308 4.268 3.960 -0.001 0.000 0.682 400 G HA3 0.308 4.268 3.960 -0.001 0.000 0.682 400 G C -1.582 173.490 174.900 0.286 0.000 1.303 400 G CA -0.504 44.772 45.100 0.294 0.000 0.966 400 G HN 1.210 nan 8.290 nan 0.000 0.560 401 L N -3.623 117.725 121.223 0.208 0.000 2.775 401 L HA 0.932 5.272 4.340 -0.001 0.000 0.263 401 L C -0.627 176.234 176.870 -0.015 0.000 1.017 401 L CA -1.440 53.361 54.840 -0.065 0.000 0.891 401 L CB 1.389 43.412 42.059 -0.059 0.000 1.482 401 L HN 0.850 nan 8.230 nan 0.000 0.410 402 V N 0.764 120.621 119.914 -0.094 0.000 2.975 402 V HA 0.694 4.814 4.120 -0.001 0.000 0.318 402 V C -0.484 175.631 176.094 0.035 0.000 1.077 402 V CA -0.571 61.739 62.300 0.017 0.000 1.000 402 V CB 1.897 33.717 31.823 -0.006 0.000 1.066 402 V HN 0.847 nan 8.190 nan 0.000 0.452 403 K N 1.378 121.824 120.400 0.076 0.000 2.588 403 K HA 0.661 4.980 4.320 -0.001 0.000 0.250 403 K C -2.201 174.468 176.600 0.114 0.000 0.972 403 K CA -0.365 55.964 56.287 0.070 0.000 0.821 403 K CB 2.101 34.637 32.500 0.059 0.000 1.249 403 K HN 0.435 nan 8.250 nan 0.000 0.442 404 V N 5.492 125.446 119.914 0.068 0.000 2.715 404 V HA 0.588 4.708 4.120 -0.001 0.000 0.310 404 V C -0.352 175.779 176.094 0.062 0.000 1.054 404 V CA -0.780 61.563 62.300 0.073 0.000 0.928 404 V CB 1.784 33.623 31.823 0.028 0.000 1.007 404 V HN 0.686 nan 8.190 nan 0.000 0.437 405 I N 2.908 123.527 120.570 0.081 0.000 2.545 405 I HA 0.835 5.005 4.170 -0.001 0.000 0.292 405 I C -0.111 176.034 176.117 0.047 0.000 1.040 405 I CA -0.546 60.786 61.300 0.055 0.000 1.068 405 I CB 2.079 40.123 38.000 0.075 0.000 1.251 405 I HN 0.720 nan 8.210 nan 0.000 0.424 406 A N 3.572 126.409 122.820 0.027 0.000 2.475 406 A HA 0.545 4.865 4.320 -0.001 0.000 0.301 406 A C -1.239 176.357 177.584 0.020 0.000 1.059 406 A CA -0.611 51.441 52.037 0.025 0.000 0.710 406 A CB 1.636 20.645 19.000 0.015 0.000 1.288 406 A HN 0.667 nan 8.150 nan 0.000 0.408 407 D N 1.394 121.807 120.400 0.023 0.000 2.455 407 D HA 0.373 5.013 4.640 -0.001 0.000 0.241 407 D C 1.210 177.519 176.300 0.015 0.000 1.138 407 D CA 0.805 54.816 54.000 0.019 0.000 0.877 407 D CB 1.393 42.206 40.800 0.021 0.000 1.187 407 D HN 0.577 nan 8.370 nan 0.000 0.451 408 A N 4.905 127.732 122.820 0.011 0.000 2.014 408 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 408 A C 1.985 179.576 177.584 0.011 0.000 1.163 408 A CA 0.840 52.882 52.037 0.009 0.000 0.652 408 A CB -0.217 18.786 19.000 0.006 0.000 0.808 408 A HN 0.526 nan 8.150 nan 0.000 0.449 409 K N 0.275 120.682 120.400 0.012 0.000 1.991 409 K HA -0.023 4.297 4.320 -0.001 0.000 0.208 409 K C 1.057 177.667 176.600 0.015 0.000 1.038 409 K CA 1.605 57.899 56.287 0.013 0.000 0.943 409 K CB -0.656 31.852 32.500 0.012 0.000 0.736 409 K HN 0.531 nan 8.250 nan 0.000 0.440 410 T N -0.843 113.721 114.554 0.017 0.000 2.847 410 T HA 0.121 4.471 4.350 -0.001 0.000 0.279 410 T C 0.363 175.076 174.700 0.022 0.000 0.984 410 T CA -0.621 61.491 62.100 0.020 0.000 0.988 410 T CB 1.238 70.119 68.868 0.022 0.000 1.040 410 T HN 0.004 nan 8.240 nan 0.000 0.528 411 D N -0.507 119.908 120.400 0.025 0.000 2.561 411 D HA 0.148 4.788 4.640 -0.001 0.000 0.232 411 D C 0.372 176.689 176.300 0.028 0.000 1.198 411 D CA -0.428 53.586 54.000 0.024 0.000 0.826 411 D CB -0.178 40.638 40.800 0.026 0.000 0.992 411 D HN 0.349 nan 8.370 nan 0.000 0.490 412 R N -0.127 120.391 120.500 0.030 0.000 2.537 412 R HA 0.197 4.537 4.340 -0.001 0.000 0.280 412 R C -0.389 175.933 176.300 0.038 0.000 1.058 412 R CA -0.307 55.814 56.100 0.036 0.000 1.057 412 R CB 1.026 31.347 30.300 0.035 0.000 0.973 412 R HN -0.032 nan 8.270 nan 0.000 0.438 413 V N 6.539 126.479 119.914 0.044 0.000 2.470 413 V HA -0.009 4.110 4.120 -0.001 0.000 0.276 413 V C 1.325 177.450 176.094 0.051 0.000 1.040 413 V CA 0.312 62.640 62.300 0.047 0.000 1.008 413 V CB 1.125 32.980 31.823 0.053 0.000 0.990 413 V HN 0.762 nan 8.190 nan 0.000 0.477 414 L N 4.174 125.431 121.223 0.057 0.000 2.357 414 L HA 0.455 4.794 4.340 -0.001 0.000 0.211 414 L C 1.053 177.973 176.870 0.084 0.000 1.075 414 L CA 0.764 55.642 54.840 0.064 0.000 0.830 414 L CB 0.089 42.186 42.059 0.064 0.000 0.996 414 L HN 0.773 nan 8.230 nan 0.000 0.467 415 G N -0.556 108.308 108.800 0.106 0.000 2.732 415 G HA2 0.523 4.483 3.960 -0.001 0.000 0.296 415 G HA3 0.523 4.483 3.960 -0.001 0.000 0.296 415 G C -1.922 173.029 174.900 0.085 0.000 1.448 415 G CA -0.294 44.868 45.100 0.105 0.000 0.911 415 G HN -0.280 nan 8.290 nan 0.000 0.528 416 V N 1.642 121.509 119.914 -0.078 0.000 2.487 416 V HA 0.599 4.719 4.120 -0.001 0.000 0.298 416 V C -0.938 175.028 176.094 -0.214 0.000 1.028 416 V CA -0.808 61.486 62.300 -0.009 0.000 0.860 416 V CB 1.711 33.543 31.823 0.014 0.000 0.991 416 V HN 0.840 nan 8.190 nan 0.000 0.427 417 H N 2.431 121.563 119.070 0.103 0.000 2.609 417 H HA 0.771 5.327 4.556 -0.001 0.000 0.344 417 H C -0.621 174.772 175.328 0.108 0.000 1.040 417 H CA -0.565 55.555 56.048 0.120 0.000 1.216 417 H CB 2.060 31.836 29.762 0.023 0.000 1.529 417 H HN 0.589 nan 8.280 nan 0.000 0.519 418 V N 3.735 123.780 119.914 0.219 0.000 2.888 418 V HA 0.598 4.718 4.120 -0.001 0.000 0.309 418 V C -1.345 174.859 176.094 0.183 0.000 1.114 418 V CA -0.821 61.599 62.300 0.199 0.000 0.940 418 V CB 1.893 33.848 31.823 0.219 0.000 1.021 418 V HN 0.824 nan 8.190 nan 0.000 0.426 419 I N 5.587 126.265 120.570 0.180 0.000 2.465 419 I HA 0.982 5.152 4.170 -0.001 0.000 0.291 419 I C 0.053 176.258 176.117 0.147 0.000 1.014 419 I CA 0.702 62.074 61.300 0.119 0.000 1.093 419 I CB 1.366 39.421 38.000 0.092 0.000 1.267 419 I HN 1.437 nan 8.210 nan 0.000 0.431 420 G N 6.052 114.842 108.800 -0.016 0.000 2.369 420 G HA2 0.090 4.050 3.960 -0.001 0.000 0.293 420 G HA3 0.090 4.050 3.960 -0.001 0.000 0.293 420 G C -3.309 171.344 174.900 -0.411 0.000 1.301 420 G CA -0.978 44.001 45.100 -0.201 0.000 0.913 420 G HN 0.405 nan 8.290 nan 0.000 0.540 421 P HA 0.242 nan 4.420 nan 0.000 0.261 421 P C 0.556 177.662 177.300 -0.322 0.000 1.183 421 P CA 1.477 64.305 63.100 -0.453 0.000 0.761 421 P CB 0.866 32.302 31.700 -0.441 0.000 0.785 422 S N 1.175 116.771 115.700 -0.173 0.000 3.445 422 S HA -0.281 4.189 4.470 -0.001 0.000 0.319 422 S C 1.557 176.121 174.600 -0.060 0.000 1.209 422 S CA 0.879 59.025 58.200 -0.089 0.000 0.934 422 S CB -1.692 61.477 63.200 -0.052 0.000 0.999 422 S HN 0.768 nan 8.310 nan 0.000 0.582 423 A N 0.678 123.452 122.820 -0.077 0.000 1.954 423 A HA -0.091 4.229 4.320 -0.001 0.000 0.222 423 A C 2.403 179.966 177.584 -0.035 0.000 1.199 423 A CA 2.764 54.789 52.037 -0.019 0.000 0.657 423 A CB -1.291 17.690 19.000 -0.031 0.000 0.823 423 A HN 1.438 nan 8.150 nan 0.000 0.463 424 A N -0.805 121.960 122.820 -0.091 0.000 1.877 424 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 424 A C 1.917 179.466 177.584 -0.058 0.000 1.186 424 A CA 2.045 54.017 52.037 -0.108 0.000 0.620 424 A CB -0.488 18.435 19.000 -0.128 0.000 0.822 424 A HN 0.492 nan 8.150 nan 0.000 0.443 425 E N 0.047 120.229 120.200 -0.030 0.000 2.152 425 E HA -0.004 4.346 4.350 -0.001 0.000 0.192 425 E C 1.959 178.569 176.600 0.017 0.000 0.983 425 E CA 0.473 56.866 56.400 -0.011 0.000 0.818 425 E CB -0.254 29.444 29.700 -0.004 0.000 0.758 425 E HN 0.594 nan 8.360 nan 0.000 0.467 426 L N 0.307 121.555 121.223 0.041 0.000 2.017 426 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 426 L C 2.467 179.377 176.870 0.066 0.000 1.073 426 L CA 1.531 56.423 54.840 0.087 0.000 0.745 426 L CB -0.993 41.148 42.059 0.138 0.000 0.894 426 L HN 0.212 nan 8.230 nan 0.000 0.432 427 V N -2.444 117.489 119.914 0.032 0.000 2.626 427 V HA -0.237 3.883 4.120 -0.001 0.000 0.252 427 V C 2.313 178.403 176.094 -0.007 0.000 1.067 427 V CA 1.541 63.847 62.300 0.011 0.000 1.081 427 V CB -0.661 31.149 31.823 -0.021 0.000 0.686 427 V HN 0.358 nan 8.190 nan 0.000 0.468 428 Q N 0.595 120.383 119.800 -0.020 0.000 2.224 428 Q HA -0.159 4.180 4.340 -0.001 0.000 0.203 428 Q C 2.258 178.260 176.000 0.005 0.000 0.970 428 Q CA 2.001 57.788 55.803 -0.027 0.000 0.865 428 Q CB -0.443 28.271 28.738 -0.040 0.000 0.922 428 Q HN 0.828 nan 8.270 nan 0.000 0.445 429 Q N -1.511 118.304 119.800 0.026 0.000 2.123 429 Q HA -0.026 4.313 4.340 -0.001 0.000 0.199 429 Q C 1.968 178.009 176.000 0.068 0.000 0.966 429 Q CA 1.101 56.929 55.803 0.043 0.000 0.845 429 Q CB -0.251 28.528 28.738 0.070 0.000 0.907 429 Q HN 0.537 nan 8.270 nan 0.000 0.439 430 G N 0.952 109.794 108.800 0.070 0.000 2.418 430 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.217 430 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.217 430 G C 1.499 176.433 174.900 0.056 0.000 1.158 430 G CA 0.882 46.023 45.100 0.070 0.000 0.771 430 G HN 0.411 nan 8.290 nan 0.000 0.545 431 A N 1.066 123.904 122.820 0.030 0.000 1.877 431 A HA 0.027 4.347 4.320 -0.001 0.000 0.216 431 A C 2.380 179.991 177.584 0.046 0.000 1.186 431 A CA 1.362 53.409 52.037 0.016 0.000 0.620 431 A CB -0.390 18.602 19.000 -0.015 0.000 0.822 431 A HN 0.371 nan 8.150 nan 0.000 0.443 432 I N -0.149 120.463 120.570 0.070 0.000 2.335 432 I HA -0.213 3.956 4.170 -0.001 0.000 0.251 432 I C 2.593 178.856 176.117 0.243 0.000 1.129 432 I CA 1.029 62.420 61.300 0.152 0.000 1.402 432 I CB -0.948 37.129 38.000 0.129 0.000 1.069 432 I HN 0.410 nan 8.210 nan 0.000 0.424 433 G N 1.174 110.064 108.800 0.150 0.000 2.453 433 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.215 433 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.215 433 G C 1.724 176.725 174.900 0.168 0.000 1.201 433 G CA 0.536 45.726 45.100 0.150 0.000 0.784 433 G HN 0.204 nan 8.290 nan 0.000 0.545 434 M N -0.023 119.643 119.600 0.109 0.000 2.149 434 M HA -0.054 4.425 4.480 -0.001 0.000 0.261 434 M C 2.431 178.758 176.300 0.046 0.000 1.064 434 M CA 1.615 56.958 55.300 0.072 0.000 1.102 434 M CB -0.136 32.489 32.600 0.043 0.000 1.369 434 M HN 0.266 nan 8.290 nan 0.000 0.408 435 E N 0.248 120.460 120.200 0.020 0.000 2.110 435 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 435 E C 1.176 177.678 176.600 -0.165 0.000 0.988 435 E CA 1.580 57.913 56.400 -0.111 0.000 0.804 435 E CB -0.103 29.490 29.700 -0.178 0.000 0.745 435 E HN 0.501 nan 8.360 nan 0.000 0.458 436 F N -1.114 118.836 119.950 -0.001 0.000 2.727 436 F HA 0.334 4.861 4.527 -0.000 0.000 0.302 436 F C 1.484 177.289 175.800 0.007 0.000 1.097 436 F CA 0.490 58.491 58.000 0.001 0.000 1.330 436 F CB 0.820 39.819 39.000 -0.001 0.000 1.084 436 F HN 0.166 nan 8.300 nan 0.000 0.578 437 G N 0.723 109.617 108.800 0.156 0.000 2.132 437 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.234 437 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.234 437 G C 0.263 175.221 174.900 0.098 0.000 0.989 437 G CA 0.002 45.164 45.100 0.103 0.000 0.676 437 G HN 0.357 nan 8.290 nan 0.000 0.522 438 T N 0.573 115.193 114.554 0.109 0.000 2.923 438 T HA 0.403 4.752 4.350 -0.001 0.000 0.309 438 T C 1.067 175.807 174.700 0.067 0.000 1.059 438 T CA 0.607 62.758 62.100 0.085 0.000 1.133 438 T CB 1.120 70.041 68.868 0.088 0.000 1.053 438 T HN 1.459 nan 8.240 nan 0.000 0.530 439 S N 1.523 117.258 115.700 0.058 0.000 2.707 439 S HA 0.659 5.128 4.470 -0.001 0.000 0.276 439 S C 1.694 176.320 174.600 0.043 0.000 1.179 439 S CA -0.703 57.525 58.200 0.046 0.000 0.992 439 S CB 1.099 64.324 63.200 0.042 0.000 1.030 439 S HN 0.939 nan 8.310 nan 0.000 0.554 440 A N 0.489 123.324 122.820 0.025 0.000 1.898 440 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 440 A C 2.056 179.645 177.584 0.007 0.000 1.181 440 A CA 1.104 53.144 52.037 0.005 0.000 0.620 440 A CB -0.840 18.140 19.000 -0.033 0.000 0.819 440 A HN 0.788 nan 8.150 nan 0.000 0.442 441 E N 0.689 120.903 120.200 0.023 0.000 2.110 441 E HA -0.175 4.175 4.350 -0.001 0.000 0.193 441 E C 1.419 178.063 176.600 0.073 0.000 0.988 441 E CA 1.262 57.694 56.400 0.053 0.000 0.804 441 E CB -0.458 29.287 29.700 0.076 0.000 0.745 441 E HN 0.571 nan 8.360 nan 0.000 0.458 442 D N 0.598 121.039 120.400 0.068 0.000 2.144 442 D HA -0.119 4.521 4.640 -0.001 0.000 0.199 442 D C 2.163 178.532 176.300 0.114 0.000 0.984 442 D CA 0.551 54.598 54.000 0.077 0.000 0.834 442 D CB -0.163 40.674 40.800 0.062 0.000 0.955 442 D HN 0.182 nan 8.370 nan 0.000 0.465 443 L N 0.473 121.772 121.223 0.126 0.000 2.093 443 L HA -0.058 4.282 4.340 -0.001 0.000 0.208 443 L C 2.527 179.568 176.870 0.285 0.000 1.085 443 L CA 1.183 56.152 54.840 0.214 0.000 0.755 443 L CB -0.543 41.617 42.059 0.168 0.000 0.904 443 L HN 0.081 nan 8.230 nan 0.000 0.435 444 G N -0.246 108.646 108.800 0.152 0.000 2.418 444 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 444 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 444 G C 1.469 176.542 174.900 0.288 0.000 1.158 444 G CA 0.372 45.550 45.100 0.129 0.000 0.771 444 G HN 0.261 nan 8.290 nan 0.000 0.545 445 M N 0.436 120.157 119.600 0.201 0.000 2.682 445 M HA 0.292 4.772 4.480 -0.001 0.000 0.235 445 M C 0.580 176.978 176.300 0.164 0.000 1.114 445 M CA 0.218 55.619 55.300 0.168 0.000 1.053 445 M CB -0.053 32.611 32.600 0.106 0.000 1.599 445 M HN 0.154 nan 8.290 nan 0.000 0.520 446 M N -0.263 119.471 119.600 0.224 0.000 2.444 446 M HA 0.282 4.762 4.480 -0.001 0.000 0.319 446 M C -0.289 176.079 176.300 0.112 0.000 1.183 446 M CA -0.687 54.694 55.300 0.135 0.000 1.032 446 M CB 1.887 34.557 32.600 0.118 0.000 1.569 446 M HN -0.268 nan 8.290 nan 0.000 0.468 447 V N 2.797 122.712 119.914 0.002 0.000 2.372 447 V HA 0.180 4.299 4.120 -0.001 0.000 0.261 447 V C -0.753 175.310 176.094 -0.051 0.000 1.055 447 V CA -0.114 62.182 62.300 -0.006 0.000 0.930 447 V CB -0.682 31.128 31.823 -0.022 0.000 1.031 447 V HN 0.450 nan 8.190 nan 0.000 0.479 448 F N 2.529 122.300 119.950 -0.299 0.000 2.405 448 F HA 0.377 4.903 4.527 -0.001 0.000 0.355 448 F C 1.251 176.990 175.800 -0.100 0.000 1.121 448 F CA -0.688 57.180 58.000 -0.219 0.000 1.112 448 F CB 1.120 39.935 39.000 -0.308 0.000 1.126 448 F HN 0.459 nan 8.300 nan 0.000 0.481 449 S N 2.157 117.880 115.700 0.037 0.000 2.643 449 S HA -0.129 4.341 4.470 -0.001 0.000 0.310 449 S C -0.389 174.278 174.600 0.111 0.000 1.253 449 S CA 0.272 58.507 58.200 0.059 0.000 1.047 449 S CB -0.363 62.847 63.200 0.016 0.000 0.767 449 S HN 0.640 nan 8.310 nan 0.000 0.498 450 H N 3.100 122.187 119.070 0.029 0.000 2.469 450 H HA 0.541 5.097 4.556 0.000 0.000 0.342 450 H C -2.258 173.087 175.328 0.027 0.000 1.115 450 H CA -1.729 54.337 56.048 0.030 0.000 1.204 450 H CB 0.873 30.654 29.762 0.031 0.000 1.492 450 H HN 0.401 nan 8.280 nan 0.000 0.499 451 P HA 0.252 nan 4.420 nan 0.000 0.292 451 P C -1.255 175.923 177.300 -0.204 0.000 1.287 451 P CA -0.541 62.162 63.100 -0.661 0.000 0.800 451 P CB 1.390 32.714 31.700 -0.626 0.000 0.945 452 T N -0.998 113.502 114.554 -0.090 0.000 2.894 452 T HA 0.322 4.672 4.350 -0.001 0.000 0.309 452 T C 1.174 175.912 174.700 0.063 0.000 1.208 452 T CA -0.944 61.158 62.100 0.002 0.000 1.016 452 T CB 0.862 69.752 68.868 0.036 0.000 1.192 452 T HN 0.132 nan 8.240 nan 0.000 0.491 453 L N 1.149 122.429 121.223 0.095 0.000 2.127 453 L HA -0.111 4.229 4.340 -0.001 0.000 0.211 453 L C 2.881 179.881 176.870 0.216 0.000 1.089 453 L CA 1.416 56.370 54.840 0.190 0.000 0.757 453 L CB -0.908 41.227 42.059 0.126 0.000 0.899 453 L HN 0.780 nan 8.230 nan 0.000 0.434 454 S N -0.107 115.699 115.700 0.177 0.000 2.407 454 S HA -0.247 4.223 4.470 -0.001 0.000 0.235 454 S C 1.735 176.492 174.600 0.262 0.000 1.036 454 S CA 1.471 59.823 58.200 0.253 0.000 1.013 454 S CB -0.325 63.034 63.200 0.265 0.000 0.820 454 S HN 0.518 nan 8.310 nan 0.000 0.476 455 E N 1.133 121.420 120.200 0.144 0.000 2.209 455 E HA -0.124 4.225 4.350 -0.001 0.000 0.196 455 E C 2.275 178.695 176.600 -0.300 0.000 0.993 455 E CA 0.918 57.279 56.400 -0.066 0.000 0.819 455 E CB -0.262 29.411 29.700 -0.045 0.000 0.745 455 E HN 0.597 nan 8.360 nan 0.000 0.477 456 A N 0.929 123.627 122.820 -0.203 0.000 2.015 456 A HA -0.139 4.181 4.320 -0.001 0.000 0.219 456 A C 2.081 179.487 177.584 -0.297 0.000 1.163 456 A CA 0.750 52.553 52.037 -0.389 0.000 0.646 456 A CB -0.286 18.628 19.000 -0.142 0.000 0.806 456 A HN 0.205 nan 8.150 nan 0.000 0.448 457 L N -0.925 120.214 121.223 -0.140 0.000 2.044 457 L HA -0.096 4.244 4.340 -0.001 0.000 0.205 457 L C 2.297 178.975 176.870 -0.320 0.000 1.075 457 L CA 2.709 57.485 54.840 -0.106 0.000 0.747 457 L CB -0.898 41.218 42.059 0.095 0.000 0.903 457 L HN 0.600 nan 8.230 nan 0.000 0.435 458 H N -0.334 118.211 119.070 -0.875 0.000 2.319 458 H HA -0.137 4.419 4.556 -0.001 0.000 0.299 458 H C 2.079 177.033 175.328 -0.623 0.000 1.092 458 H CA 2.160 57.519 56.048 -1.148 0.000 1.302 458 H CB 0.064 28.877 29.762 -1.581 0.000 1.373 458 H HN 0.356 nan 8.280 nan 0.000 0.497 459 E N 0.316 120.121 120.200 -0.657 0.000 2.038 459 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 459 E C 2.454 178.811 176.600 -0.405 0.000 1.000 459 E CA 1.132 57.130 56.400 -0.670 0.000 0.803 459 E CB -0.766 28.265 29.700 -1.114 0.000 0.750 459 E HN 0.597 nan 8.360 nan 0.000 0.448 460 A N 1.389 124.042 122.820 -0.278 0.000 1.978 460 A HA -0.110 4.210 4.320 -0.001 0.000 0.220 460 A C 2.390 179.887 177.584 -0.144 0.000 1.170 460 A CA 2.010 53.985 52.037 -0.103 0.000 0.636 460 A CB -0.504 18.476 19.000 -0.034 0.000 0.810 460 A HN 0.270 nan 8.150 nan 0.000 0.448 461 A N -0.639 122.067 122.820 -0.191 0.000 1.902 461 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 461 A C 2.017 179.460 177.584 -0.235 0.000 1.181 461 A CA 1.650 53.592 52.037 -0.158 0.000 0.623 461 A CB -0.486 18.442 19.000 -0.119 0.000 0.818 461 A HN 0.396 nan 8.150 nan 0.000 0.443 462 L N -0.270 120.742 121.223 -0.352 0.000 1.994 462 L HA -0.128 4.212 4.340 -0.001 0.000 0.208 462 L C 2.988 179.602 176.870 -0.427 0.000 1.071 462 L CA 2.053 56.610 54.840 -0.472 0.000 0.745 462 L CB -1.354 40.437 42.059 -0.446 0.000 0.892 462 L HN 0.407 nan 8.230 nan 0.000 0.431 463 A N -1.309 121.364 122.820 -0.246 0.000 2.032 463 A HA -0.190 4.130 4.320 -0.001 0.000 0.221 463 A C 2.442 179.951 177.584 -0.125 0.000 1.165 463 A CA 1.748 53.703 52.037 -0.138 0.000 0.645 463 A CB -0.944 18.025 19.000 -0.052 0.000 0.807 463 A HN 0.266 nan 8.150 nan 0.000 0.453 464 V N 0.442 120.277 119.914 -0.131 0.000 2.324 464 V HA -0.275 3.844 4.120 -0.001 0.000 0.250 464 V C 1.269 177.312 176.094 -0.085 0.000 1.060 464 V CA 2.348 64.597 62.300 -0.085 0.000 1.042 464 V CB -0.804 30.976 31.823 -0.072 0.000 0.650 464 V HN 0.724 nan 8.190 nan 0.000 0.450 465 N N -0.825 117.788 118.700 -0.145 0.000 2.376 465 N HA 0.404 5.144 4.740 -0.001 0.000 0.249 465 N C 0.982 176.471 175.510 -0.034 0.000 1.140 465 N CA 0.672 53.672 53.050 -0.084 0.000 0.870 465 N CB 0.991 39.446 38.487 -0.053 0.000 1.124 465 N HN 0.452 nan 8.380 nan 0.000 0.505 466 G N 1.252 110.029 108.800 -0.038 0.000 2.900 466 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.223 466 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.223 466 G C 0.361 175.310 174.900 0.082 0.000 1.293 466 G CA 0.200 45.327 45.100 0.045 0.000 0.792 466 G HN 0.643 nan 8.290 nan 0.000 0.527 467 H N 1.481 120.530 119.070 -0.035 0.000 2.989 467 H HA 0.691 5.247 4.556 -0.000 0.000 0.284 467 H C 0.818 176.111 175.328 -0.058 0.000 1.440 467 H CA 0.270 56.292 56.048 -0.043 0.000 1.209 467 H CB -1.081 28.655 29.762 -0.044 0.000 1.453 467 H HN 0.881 nan 8.280 nan 0.000 0.550 468 A N 1.884 124.704 122.820 -0.000 0.000 2.409 468 A HA 0.201 4.521 4.320 -0.001 0.000 0.267 468 A C 1.249 178.851 177.584 0.030 0.000 1.127 468 A CA -0.628 51.393 52.037 -0.027 0.000 0.795 468 A CB 0.238 19.251 19.000 0.023 0.000 1.061 468 A HN 0.327 nan 8.150 nan 0.000 0.502 469 I N 1.821 122.408 120.570 0.028 0.000 2.127 469 I HA -0.189 3.980 4.170 -0.001 0.000 0.241 469 I C 1.335 177.438 176.117 -0.023 0.000 1.075 469 I CA 1.862 63.163 61.300 0.002 0.000 1.334 469 I CB -1.551 36.464 38.000 0.024 0.000 1.040 469 I HN 0.748 nan 8.210 nan 0.000 0.405 470 H N -0.205 118.915 119.070 0.084 0.000 2.610 470 H HA 0.288 4.844 4.556 -0.000 0.000 0.302 470 H C 1.066 176.499 175.328 0.174 0.000 1.063 470 H CA 0.226 56.365 56.048 0.152 0.000 1.159 470 H CB -0.005 29.892 29.762 0.226 0.000 1.427 470 H HN 0.458 nan 8.280 nan 0.000 0.553 471 I N -5.678 115.001 120.570 0.181 0.000 4.239 471 I HA 0.661 4.830 4.170 -0.001 0.000 0.282 471 I C 0.466 176.604 176.117 0.035 0.000 1.112 471 I CA -0.216 61.137 61.300 0.088 0.000 1.324 471 I CB 0.656 38.688 38.000 0.053 0.000 1.786 471 I HN 0.072 nan 8.210 nan 0.000 0.427 472 A N 0.000 122.839 122.820 0.032 0.000 2.254 472 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 472 A CA 0.000 52.045 52.037 0.013 0.000 0.836 472 A CB 0.000 19.000 19.000 0.001 0.000 0.831 472 A HN 0.000 nan 8.150 nan 0.000 0.486