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 1amo_1_A DATA FIRST_RESID 64 DATA SEQUENCE VKESSFVEKM KKTGRNIIVF YGSQTGTAEE FANRLSKDAH RYGMRGMSAD DATA SEQUENCE PEEYDLADLS SLPEIDKSLV VFCMATYGEG DPTDNAQDFY DWLQETDVDL DATA SEQUENCE TGVKFAVFGL GNKTYEHFNA MGKYVDQRLE QLGAQRIFEL GLGDDDGNLE DATA SEQUENCE EDFITWREQF WPAVCEFFGV EAXXXXXXXR QYELVVHEDM DVAKVYTGEM DATA SEQUENCE GRLKSYENQK PPFDAKNPFL AAVTANRKLN QGTERHLMHL ELDISDSKIR DATA SEQUENCE YESGDHVAVY PANDSALVNQ IGEILGADLD VIMSLNNLDE ESNKKHPFPC DATA SEQUENCE PTTYRTALTY YLDITNPPRT NVLYELAQYA SEPSEQEHLH KMASSSGEGK DATA SEQUENCE ELYLSWVVEA RRHILAILQD YPSLRPPIDH LCELLPRLQA RYYSIASSSK DATA SEQUENCE VHPNSVHICA VAVEYEAKSG RVNKGVATSW LRAKEPXXXX XXXALVPMFV DATA SEQUENCE RKSQFRLPFK STTPVIMVGP GTGIAPFMGF IQERAWLREQ GKEVGETLLY DATA SEQUENCE YGCRRSDEDY LYREELARFH KDGALTQLNV AFSREQAHKV YVQHLLKRDR DATA SEQUENCE EHLWKLIHEG GAHIYVCGDA RNMAKDVQNT FYDIVAEFGP MEHTQAVDYV DATA SEQUENCE KKLMTKGRYS LDVWS 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 64 V HA 0.000 nan 4.120 nan 0.000 0.244 64 V C 0.000 176.062 176.094 -0.054 0.000 1.182 64 V CA 0.000 62.282 62.300 -0.031 0.000 1.235 64 V CB 0.000 31.806 31.823 -0.028 0.000 1.184 65 K N 3.860 124.225 120.400 -0.059 0.000 2.148 65 K HA 0.628 4.975 4.320 0.046 0.000 0.239 65 K C -0.040 176.490 176.600 -0.116 0.000 1.018 65 K CA -0.871 55.354 56.287 -0.103 0.000 0.923 65 K CB 0.976 33.430 32.500 -0.076 0.000 1.117 65 K HN 0.665 nan 8.250 nan 0.000 0.477 66 E N 0.550 120.624 120.200 -0.210 0.000 2.322 66 E HA 0.161 4.539 4.350 0.046 0.000 0.257 66 E C -0.319 176.280 176.600 -0.003 0.000 1.155 66 E CA -0.193 56.113 56.400 -0.157 0.000 0.936 66 E CB 1.202 30.688 29.700 -0.356 0.000 1.130 66 E HN 0.400 nan 8.360 nan 0.000 0.465 67 S N 0.479 116.214 115.700 0.058 0.000 2.593 67 S HA 0.016 4.514 4.470 0.046 0.000 0.269 67 S C 0.311 175.014 174.600 0.170 0.000 1.334 67 S CA -0.342 57.906 58.200 0.080 0.000 1.015 67 S CB 0.809 64.039 63.200 0.050 0.000 0.912 67 S HN 0.497 nan 8.310 nan 0.000 0.541 68 S N 1.187 116.928 115.700 0.068 0.000 2.931 68 S HA -0.102 4.396 4.470 0.046 0.000 0.342 68 S C 1.112 175.688 174.600 -0.040 0.000 1.220 68 S CA -0.198 57.975 58.200 -0.045 0.000 1.045 68 S CB -0.523 62.571 63.200 -0.176 0.000 0.758 68 S HN 0.572 nan 8.310 nan 0.000 0.508 69 F N 4.215 124.177 119.950 0.020 0.000 2.333 69 F HA 0.050 4.605 4.527 0.046 0.000 0.300 69 F C 1.649 177.395 175.800 -0.090 0.000 1.083 69 F CA 0.622 58.531 58.000 -0.153 0.000 1.395 69 F CB -0.971 37.731 39.000 -0.496 0.000 1.056 69 F HN 0.394 nan 8.300 nan 0.000 0.529 70 V N 0.939 120.509 119.914 -0.573 0.000 2.358 70 V HA -0.243 3.905 4.120 0.046 0.000 0.246 70 V C 2.378 178.392 176.094 -0.135 0.000 1.047 70 V CA 2.224 64.330 62.300 -0.323 0.000 1.035 70 V CB -0.751 30.837 31.823 -0.391 0.000 0.658 70 V HN 0.385 nan 8.190 nan 0.000 0.452 71 E N -0.054 120.073 120.200 -0.120 0.000 2.107 71 E HA -0.215 4.162 4.350 0.046 0.000 0.191 71 E C 2.245 178.834 176.600 -0.018 0.000 0.982 71 E CA 0.986 57.353 56.400 -0.054 0.000 0.809 71 E CB -0.102 29.573 29.700 -0.042 0.000 0.756 71 E HN 0.500 nan 8.360 nan 0.000 0.459 72 K N 0.448 120.852 120.400 0.007 0.000 2.147 72 K HA -0.108 4.240 4.320 0.046 0.000 0.205 72 K C 2.011 178.622 176.600 0.018 0.000 1.049 72 K CA 1.056 57.364 56.287 0.036 0.000 0.936 72 K CB 0.114 32.668 32.500 0.089 0.000 0.722 72 K HN 0.069 nan 8.250 nan 0.000 0.446 73 M N 0.029 119.636 119.600 0.012 0.000 2.160 73 M HA -0.115 4.393 4.480 0.046 0.000 0.264 73 M C 2.006 178.301 176.300 -0.008 0.000 1.073 73 M CA 1.504 56.808 55.300 0.007 0.000 1.142 73 M CB -0.046 32.568 32.600 0.023 0.000 1.358 73 M HN 0.015 nan 8.290 nan 0.000 0.422 74 K N 0.306 120.697 120.400 -0.016 0.000 2.103 74 K HA -0.202 4.146 4.320 0.046 0.000 0.207 74 K C 2.022 178.611 176.600 -0.018 0.000 1.048 74 K CA 1.261 57.536 56.287 -0.020 0.000 0.930 74 K CB -0.170 32.315 32.500 -0.025 0.000 0.716 74 K HN 0.225 nan 8.250 nan 0.000 0.444 75 K N 0.732 121.125 120.400 -0.013 0.000 2.155 75 K HA -0.083 4.264 4.320 0.046 0.000 0.203 75 K C 1.543 178.136 176.600 -0.011 0.000 1.052 75 K CA 1.634 57.915 56.287 -0.010 0.000 0.948 75 K CB 0.179 32.676 32.500 -0.004 0.000 0.728 75 K HN 0.194 nan 8.250 nan 0.000 0.448 76 T N -3.517 111.032 114.554 -0.009 0.000 3.086 76 T HA 0.218 4.596 4.350 0.046 0.000 0.250 76 T C 1.057 175.743 174.700 -0.023 0.000 1.074 76 T CA 0.281 62.375 62.100 -0.011 0.000 0.988 76 T CB 0.533 69.401 68.868 -0.000 0.000 0.988 76 T HN 0.306 nan 8.240 nan 0.000 0.530 77 G N 1.845 110.628 108.800 -0.029 0.000 2.160 77 G HA2 -0.264 3.723 3.960 0.046 0.000 0.251 77 G HA3 -0.264 3.723 3.960 0.046 0.000 0.251 77 G C 0.010 174.876 174.900 -0.057 0.000 1.008 77 G CA -0.062 45.012 45.100 -0.044 0.000 0.724 77 G HN 0.691 nan 8.290 nan 0.000 0.514 78 R N -0.838 119.638 120.500 -0.039 0.000 2.643 78 R HA 0.593 4.961 4.340 0.046 0.000 0.272 78 R C 1.207 177.488 176.300 -0.032 0.000 0.995 78 R CA -0.128 55.950 56.100 -0.038 0.000 1.032 78 R CB 0.699 30.997 30.300 -0.005 0.000 1.126 78 R HN 0.459 nan 8.270 nan 0.000 0.505 79 N N -0.280 118.401 118.700 -0.033 0.000 2.218 79 N HA 0.159 4.927 4.740 0.046 0.000 0.224 79 N C -0.368 175.140 175.510 -0.003 0.000 1.248 79 N CA -0.219 52.808 53.050 -0.037 0.000 0.875 79 N CB 0.707 39.135 38.487 -0.099 0.000 1.165 79 N HN 0.245 nan 8.380 nan 0.000 0.485 80 I N 1.774 122.362 120.570 0.030 0.000 2.354 80 I HA 0.396 4.593 4.170 0.046 0.000 0.292 80 I C -0.989 175.136 176.117 0.014 0.000 0.989 80 I CA -0.908 60.440 61.300 0.080 0.000 1.188 80 I CB 2.064 40.184 38.000 0.200 0.000 1.342 80 I HN 0.168 nan 8.210 nan 0.000 0.457 81 I N 7.040 127.565 120.570 -0.076 0.000 2.498 81 I HA 0.457 4.654 4.170 0.046 0.000 0.290 81 I C -1.209 174.665 176.117 -0.405 0.000 1.032 81 I CA -0.664 60.458 61.300 -0.297 0.000 1.073 81 I CB 1.884 39.596 38.000 -0.479 0.000 1.251 81 I HN 0.191 nan 8.210 nan 0.000 0.426 82 V N 7.957 127.625 119.914 -0.409 0.000 2.326 82 V HA 0.379 4.527 4.120 0.046 0.000 0.281 82 V C -0.371 175.500 176.094 -0.372 0.000 1.015 82 V CA -0.457 61.670 62.300 -0.289 0.000 0.823 82 V CB 0.873 32.685 31.823 -0.017 0.000 1.009 82 V HN 0.453 nan 8.190 nan 0.000 0.436 83 F N 4.368 124.144 119.950 -0.291 0.000 2.382 83 F HA 0.611 5.165 4.527 0.046 0.000 0.331 83 F C 0.109 175.928 175.800 0.032 0.000 1.121 83 F CA -0.435 57.416 58.000 -0.249 0.000 1.183 83 F CB 0.953 39.744 39.000 -0.348 0.000 1.207 83 F HN 0.599 nan 8.300 nan 0.000 0.555 84 Y N -0.868 119.585 120.300 0.254 0.000 2.346 84 Y HA 0.714 5.292 4.550 0.046 0.000 0.332 84 Y C -0.354 175.668 175.900 0.204 0.000 0.985 84 Y CA -2.206 56.017 58.100 0.206 0.000 1.112 84 Y CB 0.913 39.445 38.460 0.120 0.000 1.170 84 Y HN 0.704 nan 8.280 nan 0.000 0.447 85 G N 2.084 111.094 108.800 0.351 0.000 2.571 85 G HA2 0.445 4.433 3.960 0.046 0.000 0.327 85 G HA3 0.445 4.433 3.960 0.046 0.000 0.327 85 G C -0.958 174.087 174.900 0.241 0.000 1.008 85 G CA -0.448 44.809 45.100 0.261 0.000 1.136 85 G HN 0.732 nan 8.290 nan 0.000 0.444 86 S N 1.397 117.244 115.700 0.244 0.000 2.570 86 S HA 0.525 5.022 4.470 0.046 0.000 0.286 86 S C 0.219 174.849 174.600 0.050 0.000 1.099 86 S CA -0.646 57.646 58.200 0.155 0.000 0.913 86 S CB 2.182 65.468 63.200 0.143 0.000 1.085 86 S HN 0.416 nan 8.310 nan 0.000 0.480 87 Q N 1.224 120.997 119.800 -0.044 0.000 2.581 87 Q HA 0.155 4.523 4.340 0.046 0.000 0.222 87 Q C 1.022 177.014 176.000 -0.014 0.000 0.904 87 Q CA 1.328 57.022 55.803 -0.183 0.000 0.923 87 Q CB -0.076 28.208 28.738 -0.757 0.000 1.117 87 Q HN 0.889 nan 8.270 nan 0.000 0.618 88 T N -2.069 112.512 114.554 0.045 0.000 3.258 88 T HA 0.436 4.813 4.350 0.046 0.000 0.263 88 T C 0.948 175.667 174.700 0.032 0.000 0.983 88 T CA 0.300 62.451 62.100 0.084 0.000 0.907 88 T CB 0.263 69.209 68.868 0.130 0.000 1.096 88 T HN 0.434 nan 8.240 nan 0.000 0.556 89 G N 1.107 109.905 108.800 -0.003 0.000 2.179 89 G HA2 -0.331 3.656 3.960 0.046 0.000 0.257 89 G HA3 -0.331 3.656 3.960 0.046 0.000 0.257 89 G C 0.745 175.537 174.900 -0.180 0.000 1.010 89 G CA 0.663 45.714 45.100 -0.081 0.000 0.736 89 G HN 0.559 nan 8.290 nan 0.000 0.513 90 T N 0.045 114.475 114.554 -0.207 0.000 2.939 90 T HA 0.315 4.693 4.350 0.046 0.000 0.254 90 T C 2.779 177.040 174.700 -0.731 0.000 1.041 90 T CA 1.678 63.499 62.100 -0.465 0.000 1.142 90 T CB -0.216 68.428 68.868 -0.374 0.000 0.874 90 T HN 1.027 nan 8.240 nan 0.000 0.452 91 A N 1.534 124.145 122.820 -0.348 0.000 1.972 91 A HA -0.120 4.227 4.320 0.046 0.000 0.219 91 A C 2.190 179.687 177.584 -0.144 0.000 1.169 91 A CA 1.715 53.663 52.037 -0.147 0.000 0.635 91 A CB -0.518 18.547 19.000 0.109 0.000 0.810 91 A HN 0.586 nan 8.150 nan 0.000 0.446 92 E N -0.332 119.688 120.200 -0.300 0.000 2.028 92 E HA -0.253 4.124 4.350 0.046 0.000 0.191 92 E C 1.979 178.379 176.600 -0.334 0.000 0.988 92 E CA 1.370 57.423 56.400 -0.579 0.000 0.799 92 E CB -0.152 29.064 29.700 -0.806 0.000 0.755 92 E HN 0.612 nan 8.360 nan 0.000 0.447 93 E N -0.353 119.660 120.200 -0.312 0.000 2.171 93 E HA -0.204 4.173 4.350 0.046 0.000 0.197 93 E C 1.609 178.188 176.600 -0.035 0.000 0.997 93 E CA 1.483 57.772 56.400 -0.185 0.000 0.810 93 E CB -0.187 29.372 29.700 -0.234 0.000 0.738 93 E HN 0.264 nan 8.360 nan 0.000 0.467 94 F N 0.155 119.947 119.950 -0.264 0.000 2.149 94 F HA 0.225 4.780 4.527 0.046 0.000 0.294 94 F C 2.407 178.153 175.800 -0.090 0.000 1.095 94 F CA 0.681 58.412 58.000 -0.449 0.000 1.276 94 F CB -1.488 37.066 39.000 -0.744 0.000 1.023 94 F HN 0.138 nan 8.300 nan 0.000 0.480 95 A N 0.493 123.418 122.820 0.175 0.000 1.917 95 A HA -0.293 4.054 4.320 0.046 0.000 0.219 95 A C 2.069 179.744 177.584 0.153 0.000 1.182 95 A CA 2.401 54.553 52.037 0.191 0.000 0.633 95 A CB -1.360 17.787 19.000 0.245 0.000 0.819 95 A HN 0.457 nan 8.150 nan 0.000 0.448 96 N N -1.061 117.689 118.700 0.083 0.000 2.142 96 N HA -0.118 4.649 4.740 0.046 0.000 0.186 96 N C 1.932 177.513 175.510 0.118 0.000 1.023 96 N CA 1.418 54.511 53.050 0.072 0.000 0.852 96 N CB -0.143 38.361 38.487 0.029 0.000 0.998 96 N HN 0.516 nan 8.380 nan 0.000 0.424 97 R N -0.242 120.365 120.500 0.178 0.000 2.092 97 R HA -0.021 4.346 4.340 0.046 0.000 0.231 97 R C 1.652 178.134 176.300 0.304 0.000 1.119 97 R CA 0.617 56.859 56.100 0.236 0.000 0.970 97 R CB -0.270 30.217 30.300 0.312 0.000 0.864 97 R HN 0.145 nan 8.270 nan 0.000 0.440 98 L N 0.757 122.207 121.223 0.379 0.000 2.056 98 L HA -0.099 4.268 4.340 0.046 0.000 0.207 98 L C 2.108 179.275 176.870 0.494 0.000 1.078 98 L CA 1.900 57.035 54.840 0.493 0.000 0.749 98 L CB -0.465 41.831 42.059 0.395 0.000 0.901 98 L HN 0.178 nan 8.230 nan 0.000 0.433 99 S N -2.032 113.837 115.700 0.281 0.000 2.561 99 S HA -0.123 4.375 4.470 0.046 0.000 0.225 99 S C 1.871 176.492 174.600 0.034 0.000 0.977 99 S CA 0.528 58.842 58.200 0.191 0.000 0.926 99 S CB -0.331 62.923 63.200 0.091 0.000 0.769 99 S HN 0.464 nan 8.310 nan 0.000 0.533 100 K N 0.516 120.926 120.400 0.018 0.000 2.361 100 K HA 0.095 4.443 4.320 0.046 0.000 0.194 100 K C 0.484 177.067 176.600 -0.028 0.000 1.032 100 K CA 0.498 56.722 56.287 -0.104 0.000 1.048 100 K CB 0.164 32.643 32.500 -0.036 0.000 0.842 100 K HN 0.193 nan 8.250 nan 0.000 0.526 101 D N 0.728 121.124 120.400 -0.007 0.000 2.183 101 D HA -0.031 4.637 4.640 0.046 0.000 0.205 101 D C 1.710 177.712 176.300 -0.496 0.000 0.962 101 D CA 0.915 54.779 54.000 -0.227 0.000 0.849 101 D CB 0.056 40.688 40.800 -0.280 0.000 0.978 101 D HN 0.252 nan 8.370 nan 0.000 0.488 102 A N 0.910 123.438 122.820 -0.486 0.000 1.902 102 A HA -0.217 4.130 4.320 0.046 0.000 0.217 102 A C 1.859 179.386 177.584 -0.094 0.000 1.181 102 A CA 1.260 53.026 52.037 -0.451 0.000 0.623 102 A CB -1.062 17.893 19.000 -0.075 0.000 0.818 102 A HN 0.360 nan 8.150 nan 0.000 0.443 103 H N -1.634 117.351 119.070 -0.143 0.000 2.431 103 H HA -0.104 4.479 4.556 0.046 0.000 0.297 103 H C 0.320 175.599 175.328 -0.082 0.000 1.115 103 H CA 1.355 57.352 56.048 -0.085 0.000 1.277 103 H CB 0.240 29.967 29.762 -0.058 0.000 1.372 103 H HN 0.138 nan 8.280 nan 0.000 0.516 104 R N -0.688 119.819 120.500 0.013 0.000 2.644 104 R HA 0.103 4.471 4.340 0.046 0.000 0.271 104 R C -1.534 174.713 176.300 -0.088 0.000 1.687 104 R CA -0.251 55.820 56.100 -0.049 0.000 1.655 104 R CB -0.193 30.082 30.300 -0.043 0.000 1.285 104 R HN 0.196 nan 8.270 nan 0.000 0.643 105 Y N -1.472 118.697 120.300 -0.218 0.000 3.159 105 Y HA 0.260 4.838 4.550 0.046 0.000 0.294 105 Y C 1.026 176.812 175.900 -0.190 0.000 1.027 105 Y CA 0.425 58.368 58.100 -0.262 0.000 1.298 105 Y CB 0.704 38.860 38.460 -0.507 0.000 1.336 105 Y HN 0.453 nan 8.280 nan 0.000 0.597 106 G N 0.750 109.544 108.800 -0.010 0.000 3.642 106 G HA2 -0.298 3.689 3.960 0.046 0.000 0.205 106 G HA3 -0.298 3.689 3.960 0.046 0.000 0.205 106 G C 0.536 175.400 174.900 -0.060 0.000 1.526 106 G CA 0.143 45.230 45.100 -0.021 0.000 1.097 106 G HN 0.164 nan 8.290 nan 0.000 0.596 107 M N 0.075 119.638 119.600 -0.061 0.000 1.774 107 M HA 0.669 5.177 4.480 0.046 0.000 0.176 107 M C 0.724 176.921 176.300 -0.171 0.000 1.202 107 M CA 0.104 55.347 55.300 -0.095 0.000 0.883 107 M CB 0.552 33.122 32.600 -0.049 0.000 1.104 107 M HN 0.426 nan 8.290 nan 0.000 0.482 108 R N -0.460 119.940 120.500 -0.166 0.000 2.523 108 R HA 0.523 4.890 4.340 0.046 0.000 0.278 108 R C -1.429 174.867 176.300 -0.006 0.000 1.150 108 R CA -0.267 55.628 56.100 -0.342 0.000 0.987 108 R CB 1.258 31.260 30.300 -0.497 0.000 1.232 108 R HN 0.855 nan 8.270 nan 0.000 0.424 109 G N 2.810 111.788 108.800 0.297 0.000 3.175 109 G HA2 0.763 4.751 3.960 0.046 0.000 0.255 109 G HA3 0.763 4.751 3.960 0.046 0.000 0.255 109 G C -0.846 174.163 174.900 0.181 0.000 1.352 109 G CA -0.854 44.372 45.100 0.210 0.000 1.037 109 G HN 0.609 nan 8.290 nan 0.000 0.556 110 M N -0.839 118.784 119.600 0.038 0.000 2.414 110 M HA 0.577 5.084 4.480 0.046 0.000 0.287 110 M C -0.977 175.264 176.300 -0.097 0.000 1.181 110 M CA -0.824 54.460 55.300 -0.027 0.000 0.933 110 M CB 2.269 34.843 32.600 -0.044 0.000 1.732 110 M HN 0.650 nan 8.290 nan 0.000 0.486 111 S N 1.953 117.628 115.700 -0.041 0.000 2.457 111 S HA 0.926 5.424 4.470 0.046 0.000 0.289 111 S C -0.394 174.206 174.600 -0.000 0.000 1.163 111 S CA -0.188 58.012 58.200 0.000 0.000 1.078 111 S CB 1.396 64.684 63.200 0.145 0.000 0.987 111 S HN 1.144 nan 8.310 nan 0.000 0.482 112 A N 2.137 124.820 122.820 -0.229 0.000 2.374 112 A HA 0.649 4.996 4.320 0.046 0.000 0.317 112 A C -0.775 176.605 177.584 -0.340 0.000 1.094 112 A CA -0.769 51.127 52.037 -0.235 0.000 0.765 112 A CB 1.269 19.902 19.000 -0.613 0.000 1.268 112 A HN 0.824 nan 8.150 nan 0.000 0.438 113 D N 2.575 122.862 120.400 -0.189 0.000 2.313 113 D HA 0.282 4.950 4.640 0.046 0.000 0.239 113 D C -1.451 174.887 176.300 0.063 0.000 1.142 113 D CA -1.855 51.905 54.000 -0.401 0.000 0.847 113 D CB 1.399 42.108 40.800 -0.152 0.000 1.082 113 D HN 0.203 nan 8.370 nan 0.000 0.480 114 P HA -0.141 nan 4.420 nan 0.000 0.225 114 P C 0.983 178.296 177.300 0.021 0.000 1.148 114 P CA 0.658 63.748 63.100 -0.016 0.000 0.779 114 P CB 0.421 31.988 31.700 -0.221 0.000 0.780 115 E N 0.943 121.158 120.200 0.026 0.000 2.338 115 E HA -0.140 4.237 4.350 0.046 0.000 0.197 115 E C 1.347 177.939 176.600 -0.013 0.000 1.007 115 E CA 0.640 57.055 56.400 0.024 0.000 0.849 115 E CB 0.079 29.795 29.700 0.026 0.000 0.774 115 E HN 0.475 nan 8.360 nan 0.000 0.506 116 E N -1.270 118.895 120.200 -0.058 0.000 2.558 116 E HA 0.085 4.462 4.350 0.046 0.000 0.205 116 E C -0.747 175.617 176.600 -0.393 0.000 1.006 116 E CA -0.323 55.939 56.400 -0.229 0.000 0.961 116 E CB 0.281 29.787 29.700 -0.324 0.000 1.044 116 E HN 0.098 nan 8.360 nan 0.000 0.465 117 Y N 0.318 120.630 120.300 0.020 0.000 2.581 117 Y HA 0.325 4.903 4.550 0.046 0.000 0.345 117 Y C -0.603 175.291 175.900 -0.011 0.000 1.036 117 Y CA -1.529 56.613 58.100 0.069 0.000 1.042 117 Y CB 1.649 40.229 38.460 0.200 0.000 1.289 117 Y HN -0.137 nan 8.280 nan 0.000 0.471 118 D N 1.830 122.343 120.400 0.189 0.000 2.428 118 D HA 0.164 4.831 4.640 0.046 0.000 0.221 118 D C 0.494 176.740 176.300 -0.091 0.000 1.123 118 D CA 0.027 54.012 54.000 -0.026 0.000 0.869 118 D CB 0.854 41.629 40.800 -0.042 0.000 1.032 118 D HN 0.469 nan 8.370 nan 0.000 0.506 119 L N 2.979 123.981 121.223 -0.369 0.000 2.549 119 L HA -0.049 4.318 4.340 0.046 0.000 0.229 119 L C 1.955 178.353 176.870 -0.787 0.000 1.158 119 L CA 0.696 55.196 54.840 -0.566 0.000 0.842 119 L CB -1.092 40.481 42.059 -0.810 0.000 0.952 119 L HN 0.460 nan 8.230 nan 0.000 0.452 120 A N -0.628 121.697 122.820 -0.826 0.000 2.067 120 A HA -0.168 4.180 4.320 0.046 0.000 0.219 120 A C 1.668 179.181 177.584 -0.119 0.000 1.158 120 A CA 1.097 52.854 52.037 -0.466 0.000 0.661 120 A CB -0.267 18.590 19.000 -0.238 0.000 0.801 120 A HN 0.328 nan 8.150 nan 0.000 0.452 121 D N 0.035 120.359 120.400 -0.126 0.000 2.392 121 D HA -0.042 4.626 4.640 0.046 0.000 0.228 121 D C 1.586 177.849 176.300 -0.062 0.000 1.003 121 D CA 0.359 54.261 54.000 -0.163 0.000 0.917 121 D CB -0.149 40.389 40.800 -0.436 0.000 0.890 121 D HN 0.484 nan 8.370 nan 0.000 0.532 122 L N 0.832 122.143 121.223 0.147 0.000 2.131 122 L HA -0.175 4.192 4.340 0.046 0.000 0.210 122 L C 2.473 179.455 176.870 0.186 0.000 1.092 122 L CA 1.094 56.099 54.840 0.276 0.000 0.759 122 L CB -0.435 41.815 42.059 0.318 0.000 0.903 122 L HN 0.080 nan 8.230 nan 0.000 0.435 123 S N -1.809 113.978 115.700 0.144 0.000 2.423 123 S HA -0.117 4.380 4.470 0.046 0.000 0.231 123 S C 1.837 176.480 174.600 0.072 0.000 1.014 123 S CA 1.224 59.496 58.200 0.120 0.000 0.965 123 S CB -0.231 63.040 63.200 0.118 0.000 0.785 123 S HN 0.328 nan 8.310 nan 0.000 0.495 124 S N 1.292 117.005 115.700 0.022 0.000 2.558 124 S HA 0.271 4.769 4.470 0.046 0.000 0.217 124 S C 1.391 175.986 174.600 -0.007 0.000 0.975 124 S CA 0.120 58.310 58.200 -0.016 0.000 0.912 124 S CB -0.200 62.950 63.200 -0.083 0.000 0.776 124 S HN 0.392 nan 8.310 nan 0.000 0.526 125 L N 3.716 124.965 121.223 0.043 0.000 2.012 125 L HA -0.006 4.362 4.340 0.046 0.000 0.210 125 L C -1.143 175.780 176.870 0.089 0.000 1.073 125 L CA 1.980 56.875 54.840 0.091 0.000 0.748 125 L CB -1.387 40.794 42.059 0.203 0.000 0.891 125 L HN 0.118 nan 8.230 nan 0.000 0.431 126 P HA -0.181 nan 4.420 nan 0.000 0.234 126 P C 0.827 178.168 177.300 0.068 0.000 1.162 126 P CA 1.186 64.348 63.100 0.103 0.000 0.759 126 P CB -0.176 31.594 31.700 0.117 0.000 0.813 127 E N -0.352 119.874 120.200 0.043 0.000 2.347 127 E HA 0.008 4.385 4.350 0.046 0.000 0.196 127 E C 0.778 177.387 176.600 0.016 0.000 1.008 127 E CA 0.226 56.640 56.400 0.023 0.000 0.852 127 E CB -0.124 29.578 29.700 0.004 0.000 0.783 127 E HN 0.391 nan 8.360 nan 0.000 0.505 128 I N 1.721 122.303 120.570 0.020 0.000 2.331 128 I HA 0.089 4.286 4.170 0.046 0.000 0.292 128 I C 0.022 176.142 176.117 0.005 0.000 0.998 128 I CA -0.848 60.454 61.300 0.005 0.000 1.267 128 I CB 1.061 39.062 38.000 0.003 0.000 1.386 128 I HN -0.160 nan 8.210 nan 0.000 0.476 129 D N 5.973 126.366 120.400 -0.011 0.000 2.382 129 D HA 0.074 4.742 4.640 0.046 0.000 0.245 129 D C 0.167 176.416 176.300 -0.085 0.000 1.120 129 D CA 0.392 54.383 54.000 -0.015 0.000 0.890 129 D CB 0.547 41.339 40.800 -0.015 0.000 1.201 129 D HN 0.447 nan 8.370 nan 0.000 0.433 130 K N 0.582 120.915 120.400 -0.111 0.000 3.129 130 K HA -0.155 4.193 4.320 0.046 0.000 0.273 130 K C -0.444 175.839 176.600 -0.529 0.000 1.123 130 K CA 0.668 56.659 56.287 -0.493 0.000 0.800 130 K CB -1.850 30.308 32.500 -0.570 0.000 1.238 130 K HN 0.546 nan 8.250 nan 0.000 0.492 131 S N 0.395 116.014 115.700 -0.135 0.000 2.565 131 S HA 0.554 5.051 4.470 0.046 0.000 0.276 131 S C -0.209 174.469 174.600 0.130 0.000 1.326 131 S CA -0.910 57.285 58.200 -0.009 0.000 1.045 131 S CB 1.954 65.198 63.200 0.074 0.000 0.918 131 S HN 0.317 nan 8.310 nan 0.000 0.505 132 L N 2.997 124.307 121.223 0.144 0.000 2.493 132 L HA 0.744 5.111 4.340 0.046 0.000 0.265 132 L C -1.152 175.835 176.870 0.194 0.000 0.954 132 L CA -0.691 54.304 54.840 0.258 0.000 0.844 132 L CB 2.069 44.333 42.059 0.341 0.000 1.302 132 L HN 0.727 nan 8.230 nan 0.000 0.405 133 V N 5.923 125.969 119.914 0.220 0.000 2.555 133 V HA 0.839 4.987 4.120 0.046 0.000 0.302 133 V C -1.246 174.904 176.094 0.094 0.000 1.038 133 V CA -0.303 62.045 62.300 0.080 0.000 0.887 133 V CB 2.107 33.985 31.823 0.092 0.000 0.991 133 V HN 0.616 nan 8.190 nan 0.000 0.434 134 V N 7.013 126.875 119.914 -0.087 0.000 2.656 134 V HA 0.576 4.724 4.120 0.046 0.000 0.307 134 V C -0.938 175.092 176.094 -0.106 0.000 1.051 134 V CA -0.519 61.804 62.300 0.039 0.000 0.893 134 V CB 1.767 33.628 31.823 0.062 0.000 0.999 134 V HN 0.763 nan 8.190 nan 0.000 0.426 135 F N 2.340 122.467 119.950 0.294 0.000 2.426 135 F HA 0.463 5.017 4.527 0.046 0.000 0.348 135 F C 0.221 176.167 175.800 0.243 0.000 1.124 135 F CA -0.472 57.701 58.000 0.289 0.000 1.008 135 F CB 1.441 40.630 39.000 0.315 0.000 1.139 135 F HN 0.345 nan 8.300 nan 0.000 0.452 136 C N 5.836 125.386 119.300 0.417 0.000 2.184 136 C HA 0.541 5.028 4.460 0.046 0.000 0.328 136 C C -0.231 174.965 174.990 0.343 0.000 1.081 136 C CA -0.990 58.254 59.018 0.376 0.000 1.533 136 C CB -1.172 26.794 27.740 0.377 0.000 1.905 136 C HN 0.535 nan 8.230 nan 0.000 0.439 137 M N 2.763 122.523 119.600 0.266 0.000 2.336 137 M HA 0.578 5.086 4.480 0.046 0.000 0.342 137 M C 0.141 176.499 176.300 0.097 0.000 1.128 137 M CA -0.400 55.021 55.300 0.201 0.000 1.016 137 M CB 1.122 33.834 32.600 0.187 0.000 1.665 137 M HN 0.577 nan 8.290 nan 0.000 0.445 138 A N 1.885 124.775 122.820 0.116 0.000 2.312 138 A HA 0.732 5.080 4.320 0.046 0.000 0.328 138 A C -0.072 177.558 177.584 0.076 0.000 1.158 138 A CA -0.548 51.539 52.037 0.084 0.000 0.821 138 A CB 0.956 20.074 19.000 0.196 0.000 1.170 138 A HN 0.781 nan 8.150 nan 0.000 0.490 139 T N 0.804 115.333 114.554 -0.041 0.000 2.823 139 T HA 0.656 5.034 4.350 0.046 0.000 0.279 139 T C -1.410 173.191 174.700 -0.164 0.000 0.998 139 T CA -0.149 61.905 62.100 -0.076 0.000 0.994 139 T CB 0.167 68.951 68.868 -0.139 0.000 0.960 139 T HN 0.425 nan 8.240 nan 0.000 0.448 140 Y N 2.296 122.480 120.300 -0.193 0.000 2.545 140 Y HA 0.611 5.188 4.550 0.045 0.000 0.348 140 Y C 1.100 176.884 175.900 -0.193 0.000 1.002 140 Y CA 0.516 58.486 58.100 -0.216 0.000 1.039 140 Y CB 2.253 40.600 38.460 -0.187 0.000 1.271 140 Y HN 1.092 nan 8.280 nan 0.000 0.467 141 G N 1.950 110.714 108.800 -0.061 0.000 2.720 141 G HA2 -0.297 3.691 3.960 0.046 0.000 0.293 141 G HA3 -0.297 3.691 3.960 0.046 0.000 0.293 141 G C 0.238 175.112 174.900 -0.044 0.000 1.256 141 G CA 0.463 45.550 45.100 -0.021 0.000 0.974 141 G HN 0.633 nan 8.290 nan 0.000 0.551 142 E N 1.994 122.124 120.200 -0.117 0.000 2.723 142 E HA 0.446 4.824 4.350 0.046 0.000 0.219 142 E C 0.964 177.210 176.600 -0.590 0.000 1.060 142 E CA 0.362 56.578 56.400 -0.307 0.000 1.291 142 E CB 0.065 29.627 29.700 -0.230 0.000 1.265 142 E HN 1.911 nan 8.360 nan 0.000 0.438 143 G N 1.804 110.406 108.800 -0.331 0.000 2.182 143 G HA2 -0.208 3.780 3.960 0.046 0.000 0.248 143 G HA3 -0.208 3.780 3.960 0.046 0.000 0.248 143 G C -0.273 174.473 174.900 -0.256 0.000 1.042 143 G CA -0.140 44.819 45.100 -0.236 0.000 0.775 143 G HN 0.351 nan 8.290 nan 0.000 0.501 144 D N 0.564 120.821 120.400 -0.238 0.000 2.332 144 D HA 0.440 5.108 4.640 0.046 0.000 0.252 144 D C -1.998 174.133 176.300 -0.283 0.000 1.050 144 D CA -1.074 52.744 54.000 -0.303 0.000 0.970 144 D CB 2.036 42.716 40.800 -0.199 0.000 1.141 144 D HN 0.182 nan 8.370 nan 0.000 0.485 145 P HA 0.046 nan 4.420 nan 0.000 0.276 145 P C -0.152 177.087 177.300 -0.102 0.000 1.261 145 P CA -0.263 62.684 63.100 -0.255 0.000 0.800 145 P CB 0.430 31.921 31.700 -0.349 0.000 1.066 146 T N -2.225 112.309 114.554 -0.033 0.000 2.868 146 T HA 0.106 4.484 4.350 0.046 0.000 0.292 146 T C 0.964 175.634 174.700 -0.050 0.000 1.028 146 T CA -0.362 61.689 62.100 -0.082 0.000 1.059 146 T CB -0.036 68.798 68.868 -0.057 0.000 0.991 146 T HN 0.232 nan 8.240 nan 0.000 0.531 147 D N 1.438 121.793 120.400 -0.075 0.000 2.154 147 D HA -0.221 4.447 4.640 0.046 0.000 0.190 147 D C 2.147 178.465 176.300 0.031 0.000 1.003 147 D CA 1.853 55.845 54.000 -0.014 0.000 0.849 147 D CB -0.380 40.416 40.800 -0.007 0.000 0.942 147 D HN 0.845 nan 8.370 nan 0.000 0.446 148 N N 0.738 119.463 118.700 0.043 0.000 2.453 148 N HA -0.094 4.674 4.740 0.046 0.000 0.183 148 N C 1.194 176.760 175.510 0.094 0.000 1.041 148 N CA 1.235 54.325 53.050 0.067 0.000 0.900 148 N CB 0.004 38.539 38.487 0.080 0.000 0.961 148 N HN 0.141 nan 8.380 nan 0.000 0.443 149 A N -0.226 122.663 122.820 0.115 0.000 2.387 149 A HA 0.122 4.470 4.320 0.046 0.000 0.234 149 A C 2.008 179.714 177.584 0.203 0.000 1.253 149 A CA -0.083 52.073 52.037 0.199 0.000 0.894 149 A CB -0.060 19.074 19.000 0.223 0.000 0.963 149 A HN 0.238 nan 8.150 nan 0.000 0.508 150 Q N 1.220 121.100 119.800 0.134 0.000 2.030 150 Q HA -0.207 4.161 4.340 0.046 0.000 0.204 150 Q C 1.081 177.205 176.000 0.206 0.000 0.986 150 Q CA 2.439 58.325 55.803 0.138 0.000 0.843 150 Q CB -0.261 28.530 28.738 0.088 0.000 0.904 150 Q HN 0.551 nan 8.270 nan 0.000 0.420 151 D N -0.746 119.767 120.400 0.189 0.000 2.218 151 D HA -0.126 4.542 4.640 0.046 0.000 0.204 151 D C 1.488 177.974 176.300 0.310 0.000 0.976 151 D CA 0.674 54.796 54.000 0.204 0.000 0.853 151 D CB -0.264 40.623 40.800 0.146 0.000 0.939 151 D HN 0.291 nan 8.370 nan 0.000 0.481 152 F N 0.792 120.837 119.950 0.160 0.000 2.128 152 F HA -0.179 4.375 4.527 0.046 0.000 0.295 152 F C 2.147 178.134 175.800 0.311 0.000 1.100 152 F CA 0.753 58.875 58.000 0.203 0.000 1.260 152 F CB -0.971 38.084 39.000 0.092 0.000 1.009 152 F HN -0.091 nan 8.300 nan 0.000 0.476 153 Y N 1.709 121.960 120.300 -0.081 0.000 2.097 153 Y HA -0.261 4.317 4.550 0.046 0.000 0.282 153 Y C 2.310 178.161 175.900 -0.081 0.000 1.152 153 Y CA 2.423 60.408 58.100 -0.192 0.000 1.136 153 Y CB -0.863 37.536 38.460 -0.102 0.000 0.975 153 Y HN 0.095 nan 8.280 nan 0.000 0.498 154 D N -1.018 119.395 120.400 0.021 0.000 2.144 154 D HA -0.214 4.454 4.640 0.046 0.000 0.199 154 D C 1.837 178.110 176.300 -0.045 0.000 0.984 154 D CA 1.428 55.385 54.000 -0.072 0.000 0.834 154 D CB -0.872 39.964 40.800 0.060 0.000 0.955 154 D HN 0.630 nan 8.370 nan 0.000 0.465 155 W N 1.502 122.766 121.300 -0.060 0.000 2.378 155 W HA -0.143 4.544 4.660 0.046 0.000 0.313 155 W C 1.996 178.466 176.519 -0.081 0.000 1.197 155 W CA 0.634 57.965 57.345 -0.022 0.000 1.304 155 W CB -0.658 28.847 29.460 0.076 0.000 1.148 155 W HN -0.087 nan 8.180 nan 0.000 0.494 156 L N 1.486 122.483 121.223 -0.377 0.000 2.042 156 L HA -0.247 4.120 4.340 0.046 0.000 0.210 156 L C 2.687 179.208 176.870 -0.583 0.000 1.076 156 L CA 2.572 56.963 54.840 -0.748 0.000 0.749 156 L CB -1.462 40.232 42.059 -0.608 0.000 0.893 156 L HN 0.305 nan 8.230 nan 0.000 0.432 157 Q N -0.583 118.958 119.800 -0.431 0.000 2.135 157 Q HA -0.185 4.183 4.340 0.046 0.000 0.204 157 Q C 0.491 176.321 176.000 -0.283 0.000 0.981 157 Q CA 1.844 57.448 55.803 -0.332 0.000 0.856 157 Q CB 0.153 28.585 28.738 -0.510 0.000 0.902 157 Q HN 0.600 nan 8.270 nan 0.000 0.425 158 E N -0.037 119.977 120.200 -0.311 0.000 3.729 158 E HA 0.133 4.510 4.350 0.046 0.000 0.195 158 E C -1.035 175.401 176.600 -0.273 0.000 1.005 158 E CA -0.182 56.074 56.400 -0.239 0.000 1.356 158 E CB 1.332 30.940 29.700 -0.154 0.000 1.138 158 E HN 0.026 nan 8.360 nan 0.000 0.450 159 T N 0.060 114.350 114.554 -0.440 0.000 2.936 159 T HA 0.186 4.564 4.350 0.046 0.000 0.282 159 T C -0.035 174.497 174.700 -0.281 0.000 1.003 159 T CA -0.433 61.401 62.100 -0.443 0.000 1.005 159 T CB 1.052 69.330 68.868 -0.983 0.000 1.097 159 T HN 0.235 nan 8.240 nan 0.000 0.532 160 D N 1.303 121.608 120.400 -0.158 0.000 2.562 160 D HA 0.042 4.709 4.640 0.046 0.000 0.246 160 D C 0.244 176.521 176.300 -0.037 0.000 1.347 160 D CA -0.239 53.703 54.000 -0.095 0.000 0.800 160 D CB -0.341 40.425 40.800 -0.057 0.000 1.111 160 D HN 0.351 nan 8.370 nan 0.000 0.508 161 V N 1.874 121.784 119.914 -0.006 0.000 2.450 161 V HA 0.038 4.185 4.120 0.046 0.000 0.281 161 V C -0.309 175.823 176.094 0.064 0.000 1.019 161 V CA 0.130 62.481 62.300 0.085 0.000 1.062 161 V CB 0.467 32.434 31.823 0.240 0.000 0.979 161 V HN 0.099 nan 8.190 nan 0.000 0.477 162 D N 5.718 126.154 120.400 0.060 0.000 2.348 162 D HA 0.113 4.780 4.640 0.046 0.000 0.259 162 D C 0.751 177.100 176.300 0.082 0.000 1.296 162 D CA 0.122 54.154 54.000 0.054 0.000 0.931 162 D CB 0.398 41.225 40.800 0.046 0.000 1.067 162 D HN 0.586 nan 8.370 nan 0.000 0.503 163 L N 3.274 124.549 121.223 0.088 0.000 2.715 163 L HA 0.147 4.514 4.340 0.046 0.000 0.238 163 L C 0.756 177.696 176.870 0.117 0.000 1.212 163 L CA -0.266 54.645 54.840 0.119 0.000 1.017 163 L CB -0.673 41.466 42.059 0.133 0.000 1.269 163 L HN 0.284 nan 8.230 nan 0.000 0.452 164 T N 0.781 115.394 114.554 0.099 0.000 2.934 164 T HA 0.244 4.622 4.350 0.046 0.000 0.306 164 T C 1.282 176.056 174.700 0.123 0.000 1.042 164 T CA 1.253 63.415 62.100 0.105 0.000 1.145 164 T CB 1.082 70.001 68.868 0.084 0.000 0.982 164 T HN 0.706 nan 8.240 nan 0.000 0.544 165 G N 2.245 111.131 108.800 0.144 0.000 2.279 165 G HA2 -0.247 3.740 3.960 0.046 0.000 0.223 165 G HA3 -0.247 3.740 3.960 0.046 0.000 0.223 165 G C 0.235 175.254 174.900 0.198 0.000 1.015 165 G CA -0.181 45.016 45.100 0.161 0.000 0.621 165 G HN 0.794 nan 8.290 nan 0.000 0.506 166 V N 1.936 121.973 119.914 0.205 0.000 2.521 166 V HA 0.440 4.588 4.120 0.046 0.000 0.286 166 V C 0.601 176.883 176.094 0.315 0.000 1.034 166 V CA 0.451 62.902 62.300 0.251 0.000 1.045 166 V CB 1.251 33.220 31.823 0.242 0.000 0.974 166 V HN 0.381 nan 8.190 nan 0.000 0.480 167 K N 5.405 126.007 120.400 0.336 0.000 2.159 167 K HA 0.735 5.083 4.320 0.046 0.000 0.266 167 K C -0.652 176.221 176.600 0.455 0.000 0.975 167 K CA -0.257 56.226 56.287 0.326 0.000 0.865 167 K CB 1.515 34.173 32.500 0.262 0.000 1.087 167 K HN 0.590 nan 8.250 nan 0.000 0.446 168 F N -0.313 119.750 119.950 0.189 0.000 2.685 168 F HA 0.863 5.417 4.527 0.046 0.000 0.315 168 F C -1.767 174.207 175.800 0.290 0.000 1.126 168 F CA -1.402 56.762 58.000 0.273 0.000 0.950 168 F CB 1.266 40.484 39.000 0.364 0.000 1.360 168 F HN 0.455 nan 8.300 nan 0.000 0.469 169 A N 1.487 124.517 122.820 0.350 0.000 2.513 169 A HA 0.718 5.066 4.320 0.046 0.000 0.296 169 A C -2.187 175.707 177.584 0.516 0.000 1.052 169 A CA -0.678 51.556 52.037 0.329 0.000 0.714 169 A CB 1.289 20.572 19.000 0.471 0.000 1.279 169 A HN 1.048 nan 8.150 nan 0.000 0.397 170 V N 1.629 121.819 119.914 0.460 0.000 2.680 170 V HA 0.687 4.835 4.120 0.046 0.000 0.309 170 V C -1.009 175.089 176.094 0.007 0.000 1.052 170 V CA -0.491 62.013 62.300 0.340 0.000 0.908 170 V CB 1.759 33.786 31.823 0.339 0.000 1.001 170 V HN 0.877 nan 8.190 nan 0.000 0.431 171 F N 2.697 122.456 119.950 -0.318 0.000 2.445 171 F HA 0.790 5.344 4.527 0.046 0.000 0.348 171 F C 0.491 176.152 175.800 -0.231 0.000 1.125 171 F CA -0.539 57.084 58.000 -0.627 0.000 0.983 171 F CB 1.226 39.685 39.000 -0.902 0.000 1.198 171 F HN 0.607 nan 8.300 nan 0.000 0.436 172 G N 5.900 114.277 108.800 -0.704 0.000 2.395 172 G HA2 0.538 4.526 3.960 0.046 0.000 0.283 172 G HA3 0.538 4.526 3.960 0.046 0.000 0.283 172 G C -1.657 172.820 174.900 -0.706 0.000 1.178 172 G CA -0.545 44.237 45.100 -0.530 0.000 0.837 172 G HN 0.520 nan 8.290 nan 0.000 0.518 173 L N 1.948 122.962 121.223 -0.347 0.000 2.305 173 L HA 0.763 5.130 4.340 0.046 0.000 0.284 173 L C 0.742 177.486 176.870 -0.210 0.000 1.013 173 L CA 0.163 54.885 54.840 -0.197 0.000 0.819 173 L CB 1.641 43.712 42.059 0.020 0.000 1.227 173 L HN 0.792 nan 8.230 nan 0.000 0.417 174 G N 1.589 110.276 108.800 -0.188 0.000 2.815 174 G HA2 0.498 4.485 3.960 0.046 0.000 0.305 174 G HA3 0.498 4.485 3.960 0.046 0.000 0.305 174 G C -1.708 173.270 174.900 0.129 0.000 1.277 174 G CA -0.370 44.641 45.100 -0.148 0.000 0.795 174 G HN 0.357 nan 8.290 nan 0.000 0.528 175 N N -0.693 118.216 118.700 0.347 0.000 2.578 175 N HA 0.185 4.953 4.740 0.046 0.000 0.282 175 N C 0.487 176.273 175.510 0.461 0.000 1.119 175 N CA -0.512 52.783 53.050 0.408 0.000 0.948 175 N CB 2.217 40.938 38.487 0.390 0.000 1.546 175 N HN 0.466 nan 8.380 nan 0.000 0.525 176 K N 0.050 120.520 120.400 0.117 0.000 2.211 176 K HA -0.114 4.233 4.320 0.046 0.000 0.204 176 K C 1.400 177.965 176.600 -0.058 0.000 1.047 176 K CA 1.914 58.080 56.287 -0.202 0.000 0.935 176 K CB -0.016 32.213 32.500 -0.451 0.000 0.728 176 K HN 0.746 nan 8.250 nan 0.000 0.452 177 T N -1.427 113.101 114.554 -0.043 0.000 3.025 177 T HA -0.147 4.231 4.350 0.046 0.000 0.270 177 T C 0.502 175.008 174.700 -0.324 0.000 1.126 177 T CA 0.741 62.719 62.100 -0.204 0.000 1.105 177 T CB -0.301 68.389 68.868 -0.296 0.000 0.884 177 T HN 0.001 nan 8.240 nan 0.000 0.522 178 Y N 0.922 121.234 120.300 0.020 0.000 2.453 178 Y HA 0.492 5.069 4.550 0.045 0.000 0.326 178 Y C 1.588 177.521 175.900 0.056 0.000 1.186 178 Y CA -1.267 56.861 58.100 0.046 0.000 1.200 178 Y CB 1.214 39.707 38.460 0.054 0.000 1.247 178 Y HN -0.053 nan 8.280 nan 0.000 0.482 179 E N -0.012 120.306 120.200 0.196 0.000 2.046 179 E HA -0.127 4.250 4.350 0.046 0.000 0.190 179 E C -0.087 176.477 176.600 -0.061 0.000 0.982 179 E CA 0.894 57.302 56.400 0.014 0.000 0.800 179 E CB -0.035 29.602 29.700 -0.105 0.000 0.756 179 E HN 0.573 nan 8.360 nan 0.000 0.449 180 H N 0.351 119.493 119.070 0.119 0.000 2.640 180 H HA 0.035 4.619 4.556 0.046 0.000 0.220 180 H C -0.486 174.909 175.328 0.111 0.000 1.852 180 H CA -0.453 55.647 56.048 0.087 0.000 1.275 180 H CB -0.949 28.829 29.762 0.027 0.000 1.675 180 H HN 0.045 nan 8.280 nan 0.000 0.523 181 F N 3.511 123.495 119.950 0.056 0.000 2.546 181 F HA -0.099 4.455 4.527 0.046 0.000 0.388 181 F C 0.702 176.505 175.800 0.004 0.000 1.051 181 F CA -0.215 57.802 58.000 0.029 0.000 1.130 181 F CB -0.051 38.957 39.000 0.013 0.000 1.044 181 F HN 0.371 nan 8.300 nan 0.000 0.553 182 N N 3.286 121.679 118.700 -0.511 0.000 2.721 182 N HA -0.260 4.507 4.740 0.046 0.000 0.249 182 N C 1.042 176.421 175.510 -0.220 0.000 1.072 182 N CA 0.827 53.575 53.050 -0.503 0.000 0.710 182 N CB -1.139 36.853 38.487 -0.826 0.000 0.993 182 N HN 0.755 nan 8.380 nan 0.000 0.547 183 A N -0.330 122.437 122.820 -0.088 0.000 1.933 183 A HA -0.164 4.184 4.320 0.046 0.000 0.218 183 A C 2.252 179.834 177.584 -0.003 0.000 1.175 183 A CA 1.882 53.919 52.037 -0.000 0.000 0.628 183 A CB -0.217 18.821 19.000 0.062 0.000 0.814 183 A HN 0.347 nan 8.150 nan 0.000 0.444 184 M N 0.253 119.819 119.600 -0.055 0.000 2.064 184 M HA 0.019 4.526 4.480 0.046 0.000 0.260 184 M C 2.075 178.393 176.300 0.030 0.000 1.073 184 M CA 1.986 57.270 55.300 -0.026 0.000 1.124 184 M CB -1.329 31.230 32.600 -0.070 0.000 1.326 184 M HN 0.301 nan 8.290 nan 0.000 0.410 185 G N 0.056 108.832 108.800 -0.040 0.000 2.513 185 G HA2 -0.292 3.695 3.960 0.046 0.000 0.219 185 G HA3 -0.292 3.695 3.960 0.046 0.000 0.219 185 G C 1.635 176.528 174.900 -0.011 0.000 1.160 185 G CA 1.373 46.447 45.100 -0.042 0.000 0.767 185 G HN 0.555 nan 8.290 nan 0.000 0.571 186 K N -0.932 119.456 120.400 -0.021 0.000 2.152 186 K HA -0.113 4.234 4.320 0.046 0.000 0.206 186 K C 2.188 178.828 176.600 0.066 0.000 1.048 186 K CA 1.196 57.493 56.287 0.017 0.000 0.933 186 K CB -0.261 32.250 32.500 0.018 0.000 0.721 186 K HN 0.444 nan 8.250 nan 0.000 0.447 187 Y N 1.420 121.706 120.300 -0.024 0.000 2.153 187 Y HA -0.200 4.378 4.550 0.046 0.000 0.289 187 Y C 2.032 177.888 175.900 -0.074 0.000 1.127 187 Y CA 0.906 58.992 58.100 -0.024 0.000 1.131 187 Y CB -0.385 38.100 38.460 0.042 0.000 0.995 187 Y HN -0.272 nan 8.280 nan 0.000 0.505 188 V N 1.064 120.874 119.914 -0.173 0.000 2.282 188 V HA -0.346 3.802 4.120 0.046 0.000 0.249 188 V C 2.402 178.333 176.094 -0.272 0.000 1.057 188 V CA 2.337 64.437 62.300 -0.334 0.000 1.032 188 V CB -0.819 30.877 31.823 -0.211 0.000 0.645 188 V HN 0.552 nan 8.190 nan 0.000 0.447 189 D N -0.583 119.789 120.400 -0.046 0.000 2.092 189 D HA -0.222 4.446 4.640 0.046 0.000 0.193 189 D C 2.140 178.487 176.300 0.077 0.000 0.994 189 D CA 1.582 55.681 54.000 0.165 0.000 0.828 189 D CB 0.078 40.975 40.800 0.161 0.000 0.963 189 D HN 0.410 nan 8.370 nan 0.000 0.450 190 Q N 0.315 120.084 119.800 -0.052 0.000 2.079 190 Q HA -0.131 4.236 4.340 0.046 0.000 0.200 190 Q C 2.339 178.226 176.000 -0.189 0.000 0.974 190 Q CA 0.793 56.552 55.803 -0.073 0.000 0.840 190 Q CB -0.514 28.187 28.738 -0.062 0.000 0.898 190 Q HN 0.177 nan 8.270 nan 0.000 0.430 191 R N 1.136 121.386 120.500 -0.416 0.000 2.082 191 R HA -0.063 4.304 4.340 0.046 0.000 0.234 191 R C 2.381 178.447 176.300 -0.389 0.000 1.136 191 R CA 1.275 57.062 56.100 -0.522 0.000 0.935 191 R CB -0.897 28.835 30.300 -0.948 0.000 0.842 191 R HN 0.243 nan 8.270 nan 0.000 0.430 192 L N 0.364 121.314 121.223 -0.455 0.000 2.013 192 L HA -0.233 4.134 4.340 0.046 0.000 0.212 192 L C 2.595 179.287 176.870 -0.296 0.000 1.073 192 L CA 2.151 56.697 54.840 -0.491 0.000 0.753 192 L CB -0.636 40.796 42.059 -1.046 0.000 0.890 192 L HN 0.432 nan 8.230 nan 0.000 0.432 193 E N -0.123 119.988 120.200 -0.149 0.000 2.118 193 E HA -0.262 4.115 4.350 0.046 0.000 0.195 193 E C 2.178 178.776 176.600 -0.003 0.000 0.992 193 E CA 1.182 57.621 56.400 0.065 0.000 0.804 193 E CB 0.040 29.845 29.700 0.175 0.000 0.741 193 E HN 0.554 nan 8.360 nan 0.000 0.458 194 Q N -0.179 119.580 119.800 -0.068 0.000 2.224 194 Q HA -0.093 4.275 4.340 0.046 0.000 0.203 194 Q C 1.963 177.919 176.000 -0.072 0.000 0.970 194 Q CA 0.719 56.480 55.803 -0.070 0.000 0.865 194 Q CB 0.058 28.733 28.738 -0.106 0.000 0.922 194 Q HN 0.385 nan 8.270 nan 0.000 0.445 195 L N -0.513 120.652 121.223 -0.097 0.000 2.612 195 L HA 0.114 4.481 4.340 0.046 0.000 0.230 195 L C 1.070 177.932 176.870 -0.014 0.000 1.140 195 L CA 0.422 55.217 54.840 -0.076 0.000 0.896 195 L CB -0.028 41.964 42.059 -0.112 0.000 1.065 195 L HN 0.415 nan 8.230 nan 0.000 0.447 196 G N -0.447 108.358 108.800 0.008 0.000 2.194 196 G HA2 -0.252 3.736 3.960 0.046 0.000 0.236 196 G HA3 -0.252 3.736 3.960 0.046 0.000 0.236 196 G C 0.430 175.385 174.900 0.091 0.000 0.987 196 G CA -0.055 45.074 45.100 0.049 0.000 0.635 196 G HN 0.475 nan 8.290 nan 0.000 0.520 197 A N -0.161 122.715 122.820 0.094 0.000 2.332 197 A HA 0.702 5.050 4.320 0.046 0.000 0.258 197 A C 0.429 178.202 177.584 0.315 0.000 1.087 197 A CA 0.768 52.917 52.037 0.186 0.000 0.802 197 A CB 0.614 19.682 19.000 0.112 0.000 1.042 197 A HN 0.727 nan 8.150 nan 0.000 0.489 198 Q N 0.532 120.550 119.800 0.362 0.000 2.312 198 Q HA 0.405 4.772 4.340 0.046 0.000 0.263 198 Q C -0.423 175.658 176.000 0.136 0.000 0.995 198 Q CA -0.653 55.300 55.803 0.251 0.000 0.853 198 Q CB 1.070 29.877 28.738 0.116 0.000 1.300 198 Q HN 0.750 nan 8.270 nan 0.000 0.448 199 R N 3.290 123.699 120.500 -0.152 0.000 2.340 199 R HA 0.155 4.522 4.340 0.046 0.000 0.300 199 R C 0.424 176.485 176.300 -0.398 0.000 1.069 199 R CA -0.050 55.639 56.100 -0.686 0.000 0.984 199 R CB 0.618 30.606 30.300 -0.520 0.000 1.003 199 R HN 0.693 nan 8.270 nan 0.000 0.459 200 I N 3.748 124.088 120.570 -0.383 0.000 3.081 200 I HA 0.156 4.354 4.170 0.046 0.000 0.274 200 I C -0.270 175.773 176.117 -0.123 0.000 1.178 200 I CA 0.571 61.656 61.300 -0.358 0.000 1.460 200 I CB 0.205 37.971 38.000 -0.390 0.000 1.137 200 I HN 0.421 nan 8.210 nan 0.000 0.443 201 F N 0.797 120.623 119.950 -0.207 0.000 2.613 201 F HA 0.364 4.919 4.527 0.046 0.000 0.310 201 F C -0.264 175.538 175.800 0.003 0.000 1.085 201 F CA -1.345 56.595 58.000 -0.100 0.000 0.945 201 F CB 1.118 40.093 39.000 -0.041 0.000 1.298 201 F HN 0.089 nan 8.300 nan 0.000 0.455 202 E N 3.407 123.087 120.200 -0.865 0.000 2.437 202 E HA 0.208 4.586 4.350 0.046 0.000 0.263 202 E C -0.701 175.882 176.600 -0.029 0.000 1.030 202 E CA -0.570 55.550 56.400 -0.467 0.000 0.934 202 E CB 0.737 30.115 29.700 -0.536 0.000 0.943 202 E HN 0.571 nan 8.360 nan 0.000 0.444 203 L N 2.815 124.062 121.223 0.040 0.000 2.433 203 L HA 0.257 4.624 4.340 0.046 0.000 0.275 203 L C 0.267 177.160 176.870 0.037 0.000 1.128 203 L CA 0.423 55.319 54.840 0.094 0.000 0.875 203 L CB 0.234 42.310 42.059 0.028 0.000 1.171 203 L HN 0.642 nan 8.230 nan 0.000 0.463 204 G N 5.749 114.458 108.800 -0.151 0.000 2.432 204 G HA2 0.456 4.444 3.960 0.046 0.000 0.257 204 G HA3 0.456 4.444 3.960 0.046 0.000 0.257 204 G C -0.549 174.092 174.900 -0.432 0.000 1.238 204 G CA -0.620 44.283 45.100 -0.328 0.000 0.838 204 G HN 0.693 nan 8.290 nan 0.000 0.547 205 L N 2.963 124.016 121.223 -0.283 0.000 2.495 205 L HA 0.322 4.689 4.340 0.046 0.000 0.248 205 L C 1.130 177.848 176.870 -0.253 0.000 1.229 205 L CA -0.777 53.858 54.840 -0.343 0.000 0.942 205 L CB 1.045 43.023 42.059 -0.135 0.000 1.242 205 L HN 0.665 nan 8.230 nan 0.000 0.484 206 G N 0.039 108.515 108.800 -0.540 0.000 2.491 206 G HA2 0.198 4.186 3.960 0.046 0.000 0.238 206 G HA3 0.198 4.186 3.960 0.046 0.000 0.238 206 G C -0.873 174.059 174.900 0.053 0.000 1.277 206 G CA 0.037 45.037 45.100 -0.167 0.000 0.851 206 G HN 0.481 nan 8.290 nan 0.000 0.573 207 D N 0.048 120.588 120.400 0.234 0.000 2.549 207 D HA 0.220 4.888 4.640 0.046 0.000 0.251 207 D C 0.413 176.853 176.300 0.234 0.000 1.153 207 D CA -0.658 53.541 54.000 0.331 0.000 0.861 207 D CB 1.798 42.788 40.800 0.318 0.000 1.207 207 D HN 0.193 nan 8.370 nan 0.000 0.543 208 D N 2.232 122.761 120.400 0.215 0.000 2.312 208 D HA -0.119 4.549 4.640 0.046 0.000 0.211 208 D C 1.179 177.565 176.300 0.142 0.000 0.964 208 D CA 0.588 54.690 54.000 0.171 0.000 0.877 208 D CB 0.349 41.231 40.800 0.136 0.000 0.924 208 D HN 0.540 nan 8.370 nan 0.000 0.515 209 D N -0.980 119.500 120.400 0.133 0.000 2.117 209 D HA -0.047 4.621 4.640 0.046 0.000 0.198 209 D C 1.729 178.068 176.300 0.064 0.000 0.982 209 D CA 1.579 55.624 54.000 0.076 0.000 0.828 209 D CB -0.212 40.605 40.800 0.029 0.000 0.967 209 D HN 0.217 nan 8.370 nan 0.000 0.464 210 G N -0.807 108.042 108.800 0.082 0.000 2.542 210 G HA2 0.010 3.998 3.960 0.046 0.000 0.211 210 G HA3 0.010 3.998 3.960 0.046 0.000 0.211 210 G C 0.113 175.079 174.900 0.110 0.000 1.702 210 G CA -0.154 44.995 45.100 0.082 0.000 0.935 210 G HN 0.302 nan 8.290 nan 0.000 0.509 211 N N 0.180 118.970 118.700 0.150 0.000 2.653 211 N HA 0.111 4.878 4.740 0.046 0.000 0.261 211 N C 0.522 176.182 175.510 0.249 0.000 1.216 211 N CA -0.462 52.700 53.050 0.188 0.000 0.784 211 N CB 1.894 40.492 38.487 0.185 0.000 1.327 211 N HN 0.097 nan 8.380 nan 0.000 0.539 212 L N 3.297 124.685 121.223 0.275 0.000 2.129 212 L HA -0.121 4.247 4.340 0.046 0.000 0.212 212 L C 2.200 179.319 176.870 0.414 0.000 1.087 212 L CA 2.042 57.099 54.840 0.363 0.000 0.757 212 L CB -0.332 41.960 42.059 0.389 0.000 0.896 212 L HN 0.633 nan 8.230 nan 0.000 0.434 213 E N -0.378 120.054 120.200 0.388 0.000 2.051 213 E HA -0.215 4.163 4.350 0.046 0.000 0.192 213 E C 2.006 178.791 176.600 0.309 0.000 0.991 213 E CA 1.573 58.193 56.400 0.367 0.000 0.799 213 E CB -0.160 29.799 29.700 0.432 0.000 0.748 213 E HN 0.485 nan 8.360 nan 0.000 0.449 214 E N 0.326 120.711 120.200 0.308 0.000 2.208 214 E HA -0.111 4.267 4.350 0.046 0.000 0.193 214 E C 1.467 178.207 176.600 0.233 0.000 0.988 214 E CA 0.953 57.504 56.400 0.251 0.000 0.828 214 E CB -0.135 29.714 29.700 0.247 0.000 0.763 214 E HN 0.373 nan 8.360 nan 0.000 0.478 215 D N 0.063 120.635 120.400 0.287 0.000 2.123 215 D HA -0.106 4.562 4.640 0.046 0.000 0.200 215 D C 1.616 178.144 176.300 0.380 0.000 0.976 215 D CA 0.506 54.705 54.000 0.331 0.000 0.831 215 D CB -0.348 40.667 40.800 0.359 0.000 0.974 215 D HN 0.116 nan 8.370 nan 0.000 0.469 216 F N 1.271 121.292 119.950 0.118 0.000 2.084 216 F HA -0.051 4.504 4.527 0.046 0.000 0.296 216 F C 2.047 177.744 175.800 -0.171 0.000 1.111 216 F CA 1.042 58.839 58.000 -0.339 0.000 1.224 216 F CB -0.331 38.107 39.000 -0.936 0.000 0.991 216 F HN -0.144 nan 8.300 nan 0.000 0.471 217 I N -0.170 120.346 120.570 -0.090 0.000 2.248 217 I HA -0.370 3.827 4.170 0.046 0.000 0.248 217 I C 2.161 178.209 176.117 -0.115 0.000 1.107 217 I CA 1.817 63.038 61.300 -0.132 0.000 1.373 217 I CB -0.949 37.061 38.000 0.018 0.000 1.055 217 I HN 0.216 nan 8.210 nan 0.000 0.418 218 T N -0.611 113.947 114.554 0.008 0.000 2.732 218 T HA -0.217 4.160 4.350 0.046 0.000 0.261 218 T C 1.395 176.148 174.700 0.088 0.000 1.040 218 T CA 1.370 63.512 62.100 0.071 0.000 1.145 218 T CB -0.429 68.528 68.868 0.149 0.000 0.866 218 T HN 0.523 nan 8.240 nan 0.000 0.427 219 W N 2.434 123.692 121.300 -0.070 0.000 2.355 219 W HA -0.058 4.630 4.660 0.046 0.000 0.309 219 W C 2.580 178.957 176.519 -0.238 0.000 1.206 219 W CA 1.115 58.456 57.345 -0.005 0.000 1.284 219 W CB -0.213 29.292 29.460 0.075 0.000 1.145 219 W HN 0.019 nan 8.180 nan 0.000 0.502 220 R N 0.604 120.898 120.500 -0.343 0.000 2.127 220 R HA -0.216 4.152 4.340 0.046 0.000 0.238 220 R C 2.144 178.233 176.300 -0.352 0.000 1.134 220 R CA 1.941 57.703 56.100 -0.565 0.000 0.975 220 R CB -0.555 29.253 30.300 -0.820 0.000 0.865 220 R HN 0.346 nan 8.270 nan 0.000 0.447 221 E N -0.142 119.917 120.200 -0.234 0.000 2.208 221 E HA -0.181 4.196 4.350 0.046 0.000 0.193 221 E C 1.585 178.085 176.600 -0.166 0.000 0.988 221 E CA 1.000 57.327 56.400 -0.122 0.000 0.828 221 E CB 0.246 29.910 29.700 -0.060 0.000 0.763 221 E HN 0.487 nan 8.360 nan 0.000 0.478 222 Q N -0.971 118.659 119.800 -0.283 0.000 2.373 222 Q HA -0.007 4.361 4.340 0.046 0.000 0.210 222 Q C 1.694 177.153 176.000 -0.903 0.000 0.913 222 Q CA 0.142 55.734 55.803 -0.352 0.000 0.911 222 Q CB 0.055 28.762 28.738 -0.051 0.000 1.040 222 Q HN 0.235 nan 8.270 nan 0.000 0.521 223 F N 0.367 119.395 119.950 -1.537 0.000 2.046 223 F HA -0.229 4.325 4.527 0.046 0.000 0.297 223 F C 1.452 176.526 175.800 -1.210 0.000 1.123 223 F CA 1.726 58.507 58.000 -2.030 0.000 1.199 223 F CB -0.469 37.218 39.000 -2.189 0.000 0.972 223 F HN 0.061 nan 8.300 nan 0.000 0.474 224 W N 0.637 121.386 121.300 -0.918 0.000 2.338 224 W HA -0.159 4.529 4.660 0.046 0.000 0.304 224 W C -0.390 175.734 176.519 -0.659 0.000 1.212 224 W CA 1.014 57.779 57.345 -0.965 0.000 1.264 224 W CB -2.017 26.796 29.460 -1.078 0.000 1.142 224 W HN 0.089 nan 8.180 nan 0.000 0.512 225 P HA -0.166 nan 4.420 nan 0.000 0.218 225 P C 1.391 178.597 177.300 -0.157 0.000 1.149 225 P CA 2.589 65.653 63.100 -0.060 0.000 0.817 225 P CB -0.275 31.393 31.700 -0.053 0.000 0.785 226 A N -0.763 121.844 122.820 -0.355 0.000 1.897 226 A HA -0.105 4.243 4.320 0.046 0.000 0.215 226 A C 2.233 179.630 177.584 -0.311 0.000 1.181 226 A CA 1.405 53.254 52.037 -0.314 0.000 0.620 226 A CB -1.554 17.199 19.000 -0.411 0.000 0.821 226 A HN 0.011 nan 8.150 nan 0.000 0.443 227 V N -0.766 118.855 119.914 -0.488 0.000 2.515 227 V HA -0.284 3.863 4.120 0.046 0.000 0.250 227 V C 2.524 178.632 176.094 0.024 0.000 1.058 227 V CA 1.893 64.010 62.300 -0.305 0.000 1.064 227 V CB -1.014 30.551 31.823 -0.430 0.000 0.675 227 V HN 0.715 nan 8.190 nan 0.000 0.461 228 C N -0.507 118.809 119.300 0.027 0.000 2.457 228 C HA -0.072 4.415 4.460 0.046 0.000 0.278 228 C C 2.642 177.686 174.990 0.090 0.000 1.309 228 C CA 0.447 59.542 59.018 0.128 0.000 1.735 228 C CB -0.767 27.076 27.740 0.171 0.000 1.992 228 C HN 0.595 nan 8.230 nan 0.000 0.493 229 E N 0.003 120.222 120.200 0.033 0.000 2.028 229 E HA -0.189 4.189 4.350 0.046 0.000 0.191 229 E C 1.871 178.479 176.600 0.013 0.000 0.988 229 E CA 1.165 57.577 56.400 0.020 0.000 0.799 229 E CB -0.334 29.370 29.700 0.006 0.000 0.755 229 E HN 0.706 nan 8.360 nan 0.000 0.447 230 F N 0.385 120.223 119.950 -0.186 0.000 2.134 230 F HA -0.213 4.342 4.527 0.046 0.000 0.299 230 F C 1.785 177.428 175.800 -0.262 0.000 1.097 230 F CA 1.385 59.207 58.000 -0.298 0.000 1.264 230 F CB -0.009 38.676 39.000 -0.525 0.000 1.001 230 F HN -0.059 nan 8.300 nan 0.000 0.479 231 F N 0.086 120.137 119.950 0.168 0.000 2.664 231 F HA 0.257 4.811 4.527 0.046 0.000 0.296 231 F C 2.242 178.047 175.800 0.007 0.000 1.125 231 F CA 0.690 58.740 58.000 0.084 0.000 1.444 231 F CB -0.663 38.417 39.000 0.134 0.000 1.114 231 F HN 0.151 nan 8.300 nan 0.000 0.576 232 G N 0.106 109.000 108.800 0.156 0.000 2.234 232 G HA2 -0.369 3.619 3.960 0.046 0.000 0.260 232 G HA3 -0.369 3.619 3.960 0.046 0.000 0.260 232 G C 1.460 176.402 174.900 0.071 0.000 0.987 232 G CA 0.728 45.867 45.100 0.066 0.000 0.625 232 G HN 0.379 nan 8.290 nan 0.000 0.532 233 V N 0.999 120.976 119.914 0.105 0.000 2.257 233 V HA -0.242 3.905 4.120 0.046 0.000 0.257 233 V C 1.158 177.277 176.094 0.041 0.000 1.077 233 V CA 3.787 66.126 62.300 0.065 0.000 1.063 233 V CB -0.433 31.437 31.823 0.077 0.000 0.664 233 V HN 1.894 nan 8.190 nan 0.000 0.450 234 E N -0.840 119.395 120.200 0.058 0.000 3.117 234 E HA -0.083 4.295 4.350 0.046 0.000 0.156 234 E C -0.419 176.176 176.600 -0.007 0.000 1.699 234 E CA 0.248 56.665 56.400 0.028 0.000 0.728 234 E CB -1.370 28.337 29.700 0.011 0.000 1.091 234 E HN 1.187 nan 8.360 nan 0.000 0.369 244 Q N -0.546 119.244 119.800 -0.017 0.000 1.921 244 Q HA 0.288 4.656 4.340 0.046 0.000 0.192 244 Q C -1.344 174.295 176.000 -0.602 0.000 0.755 244 Q CA 0.106 55.756 55.803 -0.255 0.000 0.904 244 Q CB 1.020 29.617 28.738 -0.235 0.000 1.222 244 Q HN 0.477 nan 8.270 nan 0.000 0.417 245 Y N -0.256 120.045 120.300 0.003 0.000 2.581 245 Y HA 0.405 4.982 4.550 0.046 0.000 0.337 245 Y C -0.920 174.979 175.900 -0.002 0.000 1.108 245 Y CA -0.982 57.116 58.100 -0.004 0.000 1.033 245 Y CB 1.783 40.244 38.460 0.002 0.000 1.318 245 Y HN -0.029 nan 8.280 nan 0.000 0.459 246 E N 1.793 122.090 120.200 0.163 0.000 2.212 246 E HA 0.552 4.930 4.350 0.046 0.000 0.268 246 E C -1.910 174.744 176.600 0.089 0.000 0.902 246 E CA -1.058 55.397 56.400 0.092 0.000 0.779 246 E CB 1.833 31.567 29.700 0.056 0.000 1.172 246 E HN 0.582 nan 8.360 nan 0.000 0.409 247 L N 4.891 126.151 121.223 0.062 0.000 2.276 247 L HA 0.356 4.724 4.340 0.046 0.000 0.286 247 L C -1.436 175.429 176.870 -0.008 0.000 1.061 247 L CA -0.365 54.497 54.840 0.037 0.000 0.807 247 L CB 1.390 43.489 42.059 0.067 0.000 1.177 247 L HN 0.362 nan 8.230 nan 0.000 0.429 248 V N 6.366 126.229 119.914 -0.084 0.000 2.327 248 V HA 0.272 4.419 4.120 0.046 0.000 0.272 248 V C -0.050 175.748 176.094 -0.492 0.000 1.019 248 V CA -0.770 61.437 62.300 -0.155 0.000 0.814 248 V CB 1.231 33.053 31.823 -0.002 0.000 1.040 248 V HN 0.535 nan 8.190 nan 0.000 0.440 249 V N 3.973 123.712 119.914 -0.292 0.000 2.585 249 V HA 0.102 4.250 4.120 0.046 0.000 0.296 249 V C 0.332 176.246 176.094 -0.300 0.000 1.035 249 V CA 0.133 62.252 62.300 -0.303 0.000 1.084 249 V CB 0.147 31.914 31.823 -0.094 0.000 0.953 249 V HN 0.881 nan 8.190 nan 0.000 0.483 250 H N 3.231 122.290 119.070 -0.017 0.000 2.572 250 H HA 0.217 4.800 4.556 0.046 0.000 0.248 250 H C 0.933 176.256 175.328 -0.008 0.000 1.397 250 H CA -0.433 55.608 56.048 -0.012 0.000 1.319 250 H CB 0.476 30.227 29.762 -0.019 0.000 1.452 250 H HN 0.847 nan 8.280 nan 0.000 0.535 251 E N 0.512 120.766 120.200 0.089 0.000 2.033 251 E HA -0.224 4.154 4.350 0.046 0.000 0.199 251 E C 0.288 176.920 176.600 0.054 0.000 1.011 251 E CA 1.243 57.676 56.400 0.055 0.000 0.815 251 E CB 0.091 29.816 29.700 0.041 0.000 0.755 251 E HN 0.374 nan 8.360 nan 0.000 0.451 252 D N 0.271 120.704 120.400 0.056 0.000 2.396 252 D HA 0.372 5.039 4.640 0.046 0.000 0.225 252 D C -1.038 175.279 176.300 0.029 0.000 1.121 252 D CA -0.140 53.881 54.000 0.035 0.000 0.853 252 D CB 0.414 41.229 40.800 0.025 0.000 1.043 252 D HN 0.226 nan 8.370 nan 0.000 0.500 253 M N 3.530 123.142 119.600 0.020 0.000 2.366 253 M HA 0.124 4.631 4.480 0.046 0.000 0.287 253 M C -1.821 174.476 176.300 -0.006 0.000 1.083 253 M CA -0.790 54.508 55.300 -0.004 0.000 0.934 253 M CB 1.594 34.189 32.600 -0.008 0.000 1.852 253 M HN 0.262 nan 8.290 nan 0.000 0.502 254 D N 4.771 125.159 120.400 -0.019 0.000 2.455 254 D HA 0.061 4.729 4.640 0.046 0.000 0.241 254 D C 1.328 177.615 176.300 -0.022 0.000 1.138 254 D CA -0.173 53.815 54.000 -0.020 0.000 0.877 254 D CB 1.231 42.015 40.800 -0.026 0.000 1.187 254 D HN 0.573 nan 8.370 nan 0.000 0.451 255 V N 0.332 120.235 119.914 -0.018 0.000 2.720 255 V HA -0.128 4.020 4.120 0.046 0.000 0.256 255 V C 2.025 178.096 176.094 -0.038 0.000 1.082 255 V CA 1.525 63.813 62.300 -0.020 0.000 1.101 255 V CB -0.983 30.831 31.823 -0.015 0.000 0.693 255 V HN 0.653 nan 8.190 nan 0.000 0.479 256 A N -0.329 122.464 122.820 -0.045 0.000 2.252 256 A HA 0.145 4.492 4.320 0.046 0.000 0.207 256 A C 2.002 179.534 177.584 -0.087 0.000 1.194 256 A CA 1.036 53.035 52.037 -0.065 0.000 0.809 256 A CB -0.463 18.505 19.000 -0.054 0.000 0.814 256 A HN 0.614 nan 8.150 nan 0.000 0.482 257 K N -0.506 119.849 120.400 -0.075 0.000 2.447 257 K HA 0.318 4.666 4.320 0.046 0.000 0.205 257 K C -0.860 175.703 176.600 -0.061 0.000 1.059 257 K CA 0.100 56.338 56.287 -0.081 0.000 1.065 257 K CB 0.692 33.155 32.500 -0.062 0.000 0.885 257 K HN 0.175 nan 8.250 nan 0.000 0.545 258 V N 2.170 122.052 119.914 -0.054 0.000 2.435 258 V HA 0.271 4.418 4.120 0.046 0.000 0.290 258 V C -0.517 175.570 176.094 -0.012 0.000 1.030 258 V CA -0.908 61.400 62.300 0.013 0.000 0.881 258 V CB 0.809 32.644 31.823 0.019 0.000 0.983 258 V HN 0.068 nan 8.190 nan 0.000 0.445 259 Y N 2.640 122.924 120.300 -0.026 0.000 2.442 259 Y HA 0.232 4.810 4.550 0.046 0.000 0.330 259 Y C 1.643 177.522 175.900 -0.035 0.000 1.129 259 Y CA 0.195 58.282 58.100 -0.021 0.000 1.365 259 Y CB 1.123 39.606 38.460 0.038 0.000 1.233 259 Y HN 0.761 nan 8.280 nan 0.000 0.529 260 T N -0.930 113.622 114.554 -0.004 0.000 3.215 260 T HA 0.411 4.789 4.350 0.046 0.000 0.271 260 T C 0.822 175.286 174.700 -0.392 0.000 1.012 260 T CA 0.017 62.033 62.100 -0.140 0.000 0.899 260 T CB -0.208 68.584 68.868 -0.126 0.000 1.089 260 T HN 1.028 nan 8.240 nan 0.000 0.552 261 G N 2.293 110.913 108.800 -0.300 0.000 2.309 261 G HA2 -0.120 3.868 3.960 0.046 0.000 0.183 261 G HA3 -0.120 3.868 3.960 0.046 0.000 0.183 261 G C -0.308 174.270 174.900 -0.536 0.000 1.063 261 G CA -0.252 44.438 45.100 -0.683 0.000 0.768 261 G HN 0.743 nan 8.290 nan 0.000 0.490 262 E N -1.229 118.717 120.200 -0.423 0.000 2.700 262 E HA 0.801 5.179 4.350 0.046 0.000 0.253 262 E C 0.968 177.375 176.600 -0.321 0.000 1.175 262 E CA -1.002 54.773 56.400 -1.041 0.000 1.010 262 E CB 0.742 29.928 29.700 -0.856 0.000 1.284 262 E HN 0.110 nan 8.360 nan 0.000 0.557 263 M N -0.667 118.774 119.600 -0.265 0.000 2.470 263 M HA 0.238 4.745 4.480 0.046 0.000 0.262 263 M C 0.913 177.168 176.300 -0.075 0.000 1.211 263 M CA 0.808 56.021 55.300 -0.145 0.000 1.125 263 M CB 0.657 33.102 32.600 -0.259 0.000 1.480 263 M HN 0.668 nan 8.290 nan 0.000 0.541 264 G N 0.421 109.208 108.800 -0.022 0.000 3.229 264 G HA2 0.274 4.261 3.960 0.046 0.000 0.165 264 G HA3 0.274 4.261 3.960 0.046 0.000 0.165 264 G C -0.105 174.873 174.900 0.131 0.000 1.753 264 G CA -0.539 44.579 45.100 0.030 0.000 1.054 264 G HN 0.431 nan 8.290 nan 0.000 0.544 265 R N -0.744 119.807 120.500 0.085 0.000 2.583 265 R HA 0.480 4.847 4.340 0.046 0.000 0.268 265 R C -0.043 176.210 176.300 -0.078 0.000 1.101 265 R CA -0.791 55.358 56.100 0.082 0.000 1.180 265 R CB 0.491 30.802 30.300 0.017 0.000 1.128 265 R HN 0.257 nan 8.270 nan 0.000 0.568 266 L N 1.644 122.683 121.223 -0.307 0.000 2.514 266 L HA -0.050 4.318 4.340 0.046 0.000 0.280 266 L C 0.141 176.828 176.870 -0.304 0.000 1.223 266 L CA 0.456 54.929 54.840 -0.612 0.000 0.864 266 L CB 0.191 41.915 42.059 -0.557 0.000 1.118 266 L HN 0.731 nan 8.230 nan 0.000 0.494 267 K N 0.917 121.142 120.400 -0.292 0.000 3.035 267 K HA -0.198 4.149 4.320 0.046 0.000 0.262 267 K C 1.071 177.634 176.600 -0.062 0.000 1.024 267 K CA 0.947 57.148 56.287 -0.143 0.000 0.748 267 K CB -1.587 30.847 32.500 -0.111 0.000 1.247 267 K HN 0.801 nan 8.250 nan 0.000 0.482 268 S N -1.912 113.752 115.700 -0.060 0.000 2.458 268 S HA -0.026 4.471 4.470 0.046 0.000 0.223 268 S C 1.560 176.279 174.600 0.198 0.000 1.019 268 S CA 0.211 58.439 58.200 0.047 0.000 0.937 268 S CB -0.131 63.091 63.200 0.037 0.000 0.788 268 S HN 0.315 nan 8.310 nan 0.000 0.511 269 Y N 1.946 122.243 120.300 -0.006 0.000 2.561 269 Y HA 0.287 4.866 4.550 0.049 0.000 0.291 269 Y C 1.974 177.847 175.900 -0.045 0.000 1.141 269 Y CA 0.123 58.210 58.100 -0.022 0.000 1.303 269 Y CB -0.267 38.168 38.460 -0.042 0.000 1.015 269 Y HN 0.336 nan 8.280 nan 0.000 0.547 270 E N -0.420 119.850 120.200 0.117 0.000 2.152 270 E HA 0.035 4.413 4.350 0.046 0.000 0.195 270 E C 0.362 176.984 176.600 0.036 0.000 0.934 270 E CA 0.545 56.971 56.400 0.043 0.000 0.869 270 E CB -0.334 29.374 29.700 0.014 0.000 0.842 270 E HN 0.271 nan 8.360 nan 0.000 0.472 271 N N 2.209 120.933 118.700 0.041 0.000 3.298 271 N HA 0.074 4.842 4.740 0.046 0.000 0.292 271 N C -0.781 174.781 175.510 0.087 0.000 1.271 271 N CA -0.124 52.952 53.050 0.044 0.000 1.184 271 N CB 0.317 38.814 38.487 0.018 0.000 1.452 271 N HN 0.067 nan 8.380 nan 0.000 0.534 272 Q N 1.616 121.492 119.800 0.126 0.000 2.244 272 Q HA 0.071 4.439 4.340 0.046 0.000 0.278 272 Q C -0.337 175.829 176.000 0.276 0.000 1.093 272 Q CA 0.771 56.737 55.803 0.271 0.000 0.916 272 Q CB 0.622 29.483 28.738 0.206 0.000 1.159 272 Q HN 0.329 nan 8.270 nan 0.000 0.384 273 K N 4.581 125.050 120.400 0.115 0.000 2.463 273 K HA 0.410 4.758 4.320 0.046 0.000 0.255 273 K C -2.449 173.807 176.600 -0.572 0.000 0.942 273 K CA -1.848 54.386 56.287 -0.089 0.000 0.814 273 K CB 2.085 34.545 32.500 -0.068 0.000 1.122 273 K HN 0.358 nan 8.250 nan 0.000 0.425 274 P HA 0.149 nan 4.420 nan 0.000 0.272 274 P C -2.501 174.585 177.300 -0.357 0.000 1.230 274 P CA -1.049 61.661 63.100 -0.651 0.000 0.788 274 P CB -0.210 31.456 31.700 -0.057 0.000 0.949 275 P HA 0.364 nan 4.420 nan 0.000 0.281 275 P C -0.851 176.251 177.300 -0.330 0.000 1.249 275 P CA -0.125 62.855 63.100 -0.200 0.000 0.810 275 P CB 0.315 31.994 31.700 -0.035 0.000 1.008 276 F N 1.408 121.453 119.950 0.159 0.000 2.422 276 F HA 0.484 5.041 4.527 0.049 0.000 0.333 276 F C 0.933 176.830 175.800 0.162 0.000 1.095 276 F CA 0.160 58.279 58.000 0.197 0.000 1.038 276 F CB 1.271 40.463 39.000 0.320 0.000 1.156 276 F HN 0.352 nan 8.300 nan 0.000 0.483 277 D N 0.769 121.335 120.400 0.277 0.000 2.970 277 D HA 0.281 4.948 4.640 0.046 0.000 0.344 277 D C 0.560 176.707 176.300 -0.254 0.000 1.365 277 D CA -0.349 53.682 54.000 0.052 0.000 0.910 277 D CB 0.696 41.499 40.800 0.005 0.000 1.445 277 D HN 0.494 nan 8.370 nan 0.000 0.532 278 A N -0.076 122.285 122.820 -0.765 0.000 1.958 278 A HA -0.256 4.092 4.320 0.046 0.000 0.221 278 A C 1.705 179.179 177.584 -0.182 0.000 1.178 278 A CA 2.488 53.960 52.037 -0.943 0.000 0.642 278 A CB -0.640 17.979 19.000 -0.636 0.000 0.816 278 A HN 0.490 nan 8.150 nan 0.000 0.453 279 K N -0.902 119.443 120.400 -0.093 0.000 2.284 279 K HA 0.095 4.443 4.320 0.046 0.000 0.198 279 K C 0.896 177.529 176.600 0.055 0.000 1.048 279 K CA 0.838 57.119 56.287 -0.009 0.000 0.987 279 K CB 0.101 32.592 32.500 -0.014 0.000 0.800 279 K HN 0.514 nan 8.250 nan 0.000 0.486 280 N N 1.460 120.223 118.700 0.106 0.000 2.813 280 N HA 0.164 4.932 4.740 0.046 0.000 0.282 280 N C -2.778 172.996 175.510 0.441 0.000 1.748 280 N CA -1.645 51.539 53.050 0.224 0.000 0.860 280 N CB 0.835 39.392 38.487 0.117 0.000 1.204 280 N HN -0.078 nan 8.380 nan 0.000 0.490 281 P HA 0.007 nan 4.420 nan 0.000 0.268 281 P C -0.427 177.143 177.300 0.451 0.000 1.204 281 P CA -0.114 63.322 63.100 0.560 0.000 0.768 281 P CB 0.590 32.707 31.700 0.694 0.000 0.842 282 F N 3.894 123.901 119.950 0.095 0.000 2.444 282 F HA 0.237 4.791 4.527 0.044 0.000 0.331 282 F C -0.007 175.645 175.800 -0.247 0.000 1.167 282 F CA -0.189 57.507 58.000 -0.507 0.000 1.262 282 F CB 0.538 39.090 39.000 -0.746 0.000 1.196 282 F HN 0.101 nan 8.300 nan 0.000 0.583 283 L N 5.071 125.734 121.223 -0.933 0.000 2.321 283 L HA 0.450 4.817 4.340 0.046 0.000 0.272 283 L C -0.164 176.518 176.870 -0.314 0.000 1.050 283 L CA -0.200 54.330 54.840 -0.516 0.000 0.893 283 L CB 0.307 42.037 42.059 -0.548 0.000 1.272 283 L HN 0.692 nan 8.230 nan 0.000 0.435 284 A N 2.647 125.532 122.820 0.107 0.000 2.331 284 A HA 0.824 5.172 4.320 0.046 0.000 0.283 284 A C 0.255 177.846 177.584 0.011 0.000 1.142 284 A CA -0.234 51.922 52.037 0.198 0.000 0.812 284 A CB 0.618 19.710 19.000 0.154 0.000 1.074 284 A HN 0.678 nan 8.150 nan 0.000 0.497 285 A N 2.005 124.829 122.820 0.007 0.000 2.310 285 A HA 0.549 4.896 4.320 0.046 0.000 0.299 285 A C 0.006 177.546 177.584 -0.074 0.000 1.147 285 A CA -0.427 51.579 52.037 -0.052 0.000 0.818 285 A CB 0.358 19.336 19.000 -0.037 0.000 1.096 285 A HN 1.035 nan 8.150 nan 0.000 0.495 286 V N 3.745 123.588 119.914 -0.118 0.000 2.403 286 V HA 0.044 4.191 4.120 0.046 0.000 0.265 286 V C 1.313 177.342 176.094 -0.109 0.000 1.034 286 V CA 0.749 62.964 62.300 -0.142 0.000 1.036 286 V CB 0.019 31.729 31.823 -0.188 0.000 1.032 286 V HN 1.084 nan 8.190 nan 0.000 0.478 287 T N 3.575 118.068 114.554 -0.102 0.000 2.851 287 T HA 0.201 4.579 4.350 0.046 0.000 0.262 287 T C 0.675 175.324 174.700 -0.085 0.000 1.043 287 T CA 1.240 63.295 62.100 -0.075 0.000 1.140 287 T CB 0.213 69.046 68.868 -0.057 0.000 0.872 287 T HN 0.801 nan 8.240 nan 0.000 0.446 288 A N 1.220 123.965 122.820 -0.126 0.000 2.486 288 A HA 0.713 5.061 4.320 0.046 0.000 0.300 288 A C -1.247 176.251 177.584 -0.143 0.000 1.048 288 A CA -0.741 51.228 52.037 -0.112 0.000 0.696 288 A CB 1.311 20.256 19.000 -0.092 0.000 1.278 288 A HN 0.116 nan 8.150 nan 0.000 0.405 289 N N 1.086 119.731 118.700 -0.091 0.000 2.621 289 N HA 0.313 5.081 4.740 0.046 0.000 0.271 289 N C -0.996 174.500 175.510 -0.022 0.000 1.181 289 N CA -0.345 52.655 53.050 -0.084 0.000 0.805 289 N CB 0.931 39.355 38.487 -0.104 0.000 1.351 289 N HN 0.840 nan 8.380 nan 0.000 0.539 290 R N 0.912 121.422 120.500 0.017 0.000 2.740 290 R HA 0.508 4.875 4.340 0.046 0.000 0.282 290 R C -0.590 175.706 176.300 -0.007 0.000 0.969 290 R CA -1.025 55.086 56.100 0.018 0.000 0.918 290 R CB 1.886 32.201 30.300 0.024 0.000 1.175 290 R HN 0.131 nan 8.270 nan 0.000 0.464 291 K N 3.268 123.633 120.400 -0.059 0.000 2.310 291 K HA 0.119 4.467 4.320 0.046 0.000 0.290 291 K C 0.330 176.823 176.600 -0.178 0.000 1.077 291 K CA -0.275 55.892 56.287 -0.199 0.000 0.922 291 K CB 0.623 32.991 32.500 -0.221 0.000 1.057 291 K HN 0.740 nan 8.250 nan 0.000 0.479 292 L N 2.851 123.951 121.223 -0.204 0.000 2.179 292 L HA -0.067 4.300 4.340 0.046 0.000 0.208 292 L C 0.808 177.579 176.870 -0.165 0.000 1.096 292 L CA 0.214 54.920 54.840 -0.222 0.000 0.779 292 L CB -0.410 41.445 42.059 -0.340 0.000 0.922 292 L HN 0.689 nan 8.230 nan 0.000 0.443 293 N N 0.476 119.070 118.700 -0.177 0.000 2.359 293 N HA -0.108 4.660 4.740 0.046 0.000 0.261 293 N C 0.709 176.172 175.510 -0.079 0.000 1.267 293 N CA 0.362 53.343 53.050 -0.116 0.000 0.864 293 N CB 0.710 39.093 38.487 -0.173 0.000 1.063 293 N HN 0.102 nan 8.380 nan 0.000 0.474 294 Q N 1.595 121.380 119.800 -0.025 0.000 2.376 294 Q HA 0.223 4.590 4.340 0.046 0.000 0.206 294 Q C 1.220 177.219 176.000 -0.002 0.000 0.921 294 Q CA 0.578 56.373 55.803 -0.013 0.000 0.911 294 Q CB 0.452 29.195 28.738 0.009 0.000 1.032 294 Q HN 0.744 nan 8.270 nan 0.000 0.510 295 G N -0.734 108.071 108.800 0.009 0.000 2.873 295 G HA2 0.174 4.162 3.960 0.046 0.000 0.170 295 G HA3 0.174 4.162 3.960 0.046 0.000 0.170 295 G C 0.461 175.370 174.900 0.016 0.000 1.608 295 G CA 0.614 45.724 45.100 0.016 0.000 1.084 295 G HN 0.161 nan 8.290 nan 0.000 0.563 296 T N -1.250 113.320 114.554 0.027 0.000 3.177 296 T HA 0.128 4.505 4.350 0.046 0.000 0.267 296 T C 1.691 176.420 174.700 0.048 0.000 0.858 296 T CA -0.109 62.014 62.100 0.037 0.000 0.846 296 T CB 0.337 69.223 68.868 0.030 0.000 1.256 296 T HN 0.270 nan 8.240 nan 0.000 0.601 297 E N 1.939 122.165 120.200 0.044 0.000 2.085 297 E HA 0.005 4.383 4.350 0.046 0.000 0.194 297 E C 1.063 177.702 176.600 0.064 0.000 0.994 297 E CA 1.240 57.669 56.400 0.049 0.000 0.801 297 E CB 0.250 29.976 29.700 0.045 0.000 0.743 297 E HN 0.478 nan 8.360 nan 0.000 0.453 298 R N -1.260 119.282 120.500 0.071 0.000 2.950 298 R HA 0.462 4.829 4.340 0.046 0.000 0.253 298 R C -0.662 175.711 176.300 0.122 0.000 1.168 298 R CA -0.707 55.450 56.100 0.096 0.000 1.014 298 R CB 1.521 31.872 30.300 0.086 0.000 1.228 298 R HN 0.030 nan 8.270 nan 0.000 0.487 299 H N 0.503 119.597 119.070 0.040 0.000 3.078 299 H HA 0.386 4.969 4.556 0.045 0.000 0.319 299 H C -1.654 173.693 175.328 0.032 0.000 0.995 299 H CA -0.474 55.590 56.048 0.028 0.000 1.417 299 H CB 0.595 30.369 29.762 0.020 0.000 1.598 299 H HN 0.180 nan 8.280 nan 0.000 0.515 300 L N 6.029 127.153 121.223 -0.165 0.000 2.322 300 L HA 0.476 4.843 4.340 0.046 0.000 0.281 300 L C -0.160 176.604 176.870 -0.177 0.000 1.014 300 L CA -0.494 54.309 54.840 -0.061 0.000 0.815 300 L CB 1.564 43.604 42.059 -0.031 0.000 1.247 300 L HN 0.654 nan 8.230 nan 0.000 0.421 301 M N 0.881 120.467 119.600 -0.024 0.000 2.716 301 M HA 0.587 5.095 4.480 0.046 0.000 0.307 301 M C -1.109 175.216 176.300 0.040 0.000 1.223 301 M CA -0.671 54.625 55.300 -0.006 0.000 0.871 301 M CB 2.438 35.100 32.600 0.103 0.000 1.739 301 M HN 0.597 nan 8.290 nan 0.000 0.475 302 H N 1.998 121.022 119.070 -0.076 0.000 3.013 302 H HA 0.570 5.146 4.556 0.033 0.000 0.326 302 H C -2.501 172.761 175.328 -0.109 0.000 0.973 302 H CA -0.533 55.481 56.048 -0.057 0.000 1.369 302 H CB 1.358 31.114 29.762 -0.010 0.000 1.598 302 H HN 0.662 nan 8.280 nan 0.000 0.518 303 L N 4.181 125.104 121.223 -0.501 0.000 2.334 303 L HA 0.374 4.741 4.340 0.046 0.000 0.276 303 L C 0.104 176.588 176.870 -0.644 0.000 1.014 303 L CA -0.479 54.082 54.840 -0.465 0.000 0.815 303 L CB 1.783 43.642 42.059 -0.333 0.000 1.268 303 L HN 0.595 nan 8.230 nan 0.000 0.428 304 E N 2.863 122.760 120.200 -0.506 0.000 2.207 304 E HA 0.430 4.807 4.350 0.046 0.000 0.250 304 E C -1.341 175.115 176.600 -0.239 0.000 0.890 304 E CA -0.790 55.322 56.400 -0.480 0.000 0.749 304 E CB 1.551 30.931 29.700 -0.534 0.000 1.193 304 E HN 0.210 nan 8.360 nan 0.000 0.423 305 L N 2.516 123.634 121.223 -0.175 0.000 2.292 305 L HA 0.235 4.603 4.340 0.046 0.000 0.284 305 L C 0.028 176.864 176.870 -0.057 0.000 1.065 305 L CA -0.315 54.457 54.840 -0.114 0.000 0.806 305 L CB 0.817 42.806 42.059 -0.116 0.000 1.175 305 L HN 0.433 nan 8.230 nan 0.000 0.431 306 D N 3.166 123.550 120.400 -0.027 0.000 2.295 306 D HA 0.336 5.004 4.640 0.046 0.000 0.248 306 D C 0.272 176.561 176.300 -0.018 0.000 1.154 306 D CA -0.135 53.866 54.000 0.001 0.000 0.857 306 D CB 0.552 41.365 40.800 0.022 0.000 1.117 306 D HN 0.459 nan 8.370 nan 0.000 0.468 307 I N 0.968 121.485 120.570 -0.089 0.000 3.064 307 I HA 0.325 4.523 4.170 0.046 0.000 0.340 307 I C 0.757 176.750 176.117 -0.207 0.000 1.405 307 I CA -0.619 60.506 61.300 -0.292 0.000 0.912 307 I CB 0.689 38.514 38.000 -0.292 0.000 1.993 307 I HN 0.086 nan 8.210 nan 0.000 0.547 308 S N 1.648 117.297 115.700 -0.085 0.000 2.365 308 S HA -0.139 4.359 4.470 0.046 0.000 0.221 308 S C 0.850 175.440 174.600 -0.015 0.000 1.037 308 S CA 1.749 59.939 58.200 -0.017 0.000 1.060 308 S CB -0.182 63.040 63.200 0.037 0.000 0.974 308 S HN 0.668 nan 8.310 nan 0.000 0.427 309 D N 0.456 120.870 120.400 0.022 0.000 3.008 309 D HA 0.245 4.913 4.640 0.046 0.000 0.312 309 D C 0.424 176.801 176.300 0.128 0.000 1.361 309 D CA 0.098 54.149 54.000 0.084 0.000 0.858 309 D CB 0.619 41.502 40.800 0.138 0.000 1.098 309 D HN 0.409 nan 8.370 nan 0.000 0.482 310 S N 0.055 115.679 115.700 -0.126 0.000 2.503 310 S HA 0.002 4.500 4.470 0.046 0.000 0.215 310 S C 1.263 175.954 174.600 0.151 0.000 1.003 310 S CA -0.157 57.931 58.200 -0.186 0.000 0.910 310 S CB 0.588 63.093 63.200 -1.158 0.000 0.790 310 S HN 0.031 nan 8.310 nan 0.000 0.514 311 K N 0.034 120.474 120.400 0.066 0.000 3.547 311 K HA -0.125 4.222 4.320 0.046 0.000 0.309 311 K C -0.131 176.513 176.600 0.074 0.000 1.324 311 K CA 0.692 57.030 56.287 0.085 0.000 0.988 311 K CB -2.401 30.174 32.500 0.125 0.000 1.261 311 K HN 0.559 nan 8.250 nan 0.000 0.444 312 I N 2.072 122.671 120.570 0.048 0.000 2.648 312 I HA -0.052 4.145 4.170 0.046 0.000 0.284 312 I C 0.804 176.968 176.117 0.078 0.000 1.153 312 I CA 0.506 61.849 61.300 0.073 0.000 1.426 312 I CB 0.259 38.276 38.000 0.027 0.000 1.381 312 I HN -0.031 nan 8.210 nan 0.000 0.571 313 R N 6.034 126.592 120.500 0.096 0.000 2.494 313 R HA 0.539 4.906 4.340 0.046 0.000 0.305 313 R C -1.266 175.112 176.300 0.130 0.000 0.959 313 R CA -0.619 55.515 56.100 0.057 0.000 0.864 313 R CB 1.862 32.178 30.300 0.027 0.000 1.159 313 R HN 0.555 nan 8.270 nan 0.000 0.446 314 Y N -0.990 119.301 120.300 -0.014 0.000 2.615 314 Y HA 0.654 5.228 4.550 0.040 0.000 0.341 314 Y C -1.199 174.681 175.900 -0.034 0.000 1.089 314 Y CA -1.154 56.938 58.100 -0.013 0.000 1.049 314 Y CB 1.817 40.268 38.460 -0.016 0.000 1.296 314 Y HN 0.286 nan 8.280 nan 0.000 0.470 315 E N 0.437 120.699 120.200 0.103 0.000 2.393 315 E HA 0.340 4.718 4.350 0.046 0.000 0.273 315 E C -1.298 175.395 176.600 0.155 0.000 0.918 315 E CA -1.000 55.382 56.400 -0.029 0.000 0.773 315 E CB 2.314 31.987 29.700 -0.044 0.000 1.275 315 E HN 0.735 nan 8.360 nan 0.000 0.451 316 S N 0.133 115.884 115.700 0.085 0.000 2.575 316 S HA 0.321 4.818 4.470 0.046 0.000 0.295 316 S C 1.097 175.879 174.600 0.303 0.000 1.267 316 S CA 1.054 59.377 58.200 0.206 0.000 1.074 316 S CB 0.175 63.482 63.200 0.177 0.000 0.829 316 S HN 0.807 nan 8.310 nan 0.000 0.497 317 G N 3.129 112.102 108.800 0.288 0.000 2.218 317 G HA2 -0.175 3.813 3.960 0.046 0.000 0.216 317 G HA3 -0.175 3.813 3.960 0.046 0.000 0.216 317 G C -0.247 174.642 174.900 -0.019 0.000 0.994 317 G CA -0.298 44.984 45.100 0.303 0.000 0.637 317 G HN 0.619 nan 8.290 nan 0.000 0.505 318 D N 0.876 121.259 120.400 -0.028 0.000 2.358 318 D HA 0.473 5.141 4.640 0.046 0.000 0.244 318 D C 0.314 176.448 176.300 -0.276 0.000 1.163 318 D CA 0.078 54.001 54.000 -0.128 0.000 0.945 318 D CB 0.395 41.229 40.800 0.057 0.000 1.152 318 D HN 0.375 nan 8.370 nan 0.000 0.451 319 H N -0.590 118.497 119.070 0.029 0.000 2.567 319 H HA 0.479 5.062 4.556 0.046 0.000 0.345 319 H C -0.596 174.720 175.328 -0.021 0.000 1.169 319 H CA -0.734 55.310 56.048 -0.007 0.000 1.227 319 H CB 1.991 31.749 29.762 -0.007 0.000 1.607 319 H HN 0.013 nan 8.280 nan 0.000 0.534 320 V N 1.294 121.249 119.914 0.068 0.000 2.482 320 V HA 0.635 4.783 4.120 0.046 0.000 0.295 320 V C -0.476 175.458 176.094 -0.268 0.000 1.026 320 V CA -0.512 61.723 62.300 -0.109 0.000 0.856 320 V CB 0.754 32.510 31.823 -0.112 0.000 1.001 320 V HN 0.967 nan 8.190 nan 0.000 0.424 321 A N 5.537 127.915 122.820 -0.737 0.000 2.286 321 A HA 0.860 5.208 4.320 0.046 0.000 0.286 321 A C -0.617 176.517 177.584 -0.751 0.000 1.097 321 A CA -0.454 50.874 52.037 -1.180 0.000 0.821 321 A CB 1.633 19.333 19.000 -2.167 0.000 1.076 321 A HN 1.303 nan 8.150 nan 0.000 0.490 322 V N 1.340 120.932 119.914 -0.535 0.000 2.733 322 V HA 0.347 4.495 4.120 0.046 0.000 0.306 322 V C -1.778 174.202 176.094 -0.190 0.000 1.084 322 V CA -0.392 61.813 62.300 -0.157 0.000 0.905 322 V CB 1.827 33.748 31.823 0.163 0.000 1.010 322 V HN 0.767 nan 8.190 nan 0.000 0.424 323 Y N 7.467 127.799 120.300 0.054 0.000 2.477 323 Y HA 0.427 5.004 4.550 0.046 0.000 0.349 323 Y C -1.746 173.853 175.900 -0.501 0.000 0.977 323 Y CA -2.470 55.590 58.100 -0.066 0.000 1.214 323 Y CB 0.853 39.382 38.460 0.115 0.000 1.124 323 Y HN 0.453 nan 8.280 nan 0.000 0.521 324 P HA 0.440 nan 4.420 nan 0.000 0.277 324 P C -1.163 175.534 177.300 -1.005 0.000 1.271 324 P CA -0.547 61.803 63.100 -1.251 0.000 0.795 324 P CB 1.638 33.007 31.700 -0.551 0.000 1.101 325 A N 1.000 123.088 122.820 -1.219 0.000 2.353 325 A HA 0.367 4.715 4.320 0.046 0.000 0.299 325 A C 0.049 177.320 177.584 -0.523 0.000 1.089 325 A CA -0.792 50.748 52.037 -0.828 0.000 0.736 325 A CB 0.249 18.765 19.000 -0.806 0.000 1.195 325 A HN 0.481 nan 8.150 nan 0.000 0.447 326 N N 1.428 119.877 118.700 -0.419 0.000 2.345 326 N HA -0.041 4.726 4.740 0.046 0.000 0.243 326 N C -0.323 175.057 175.510 -0.217 0.000 1.246 326 N CA 0.599 53.489 53.050 -0.267 0.000 0.863 326 N CB 0.618 38.964 38.487 -0.236 0.000 1.096 326 N HN 0.838 nan 8.380 nan 0.000 0.446 327 D N 0.218 120.532 120.400 -0.142 0.000 2.426 327 D HA -0.044 4.624 4.640 0.046 0.000 0.261 327 D C 1.272 177.503 176.300 -0.114 0.000 1.245 327 D CA -0.002 53.938 54.000 -0.100 0.000 0.917 327 D CB 0.525 41.279 40.800 -0.077 0.000 1.123 327 D HN 0.422 nan 8.370 nan 0.000 0.508 328 S N 3.315 118.954 115.700 -0.101 0.000 2.402 328 S HA -0.314 4.184 4.470 0.046 0.000 0.233 328 S C 2.077 176.634 174.600 -0.073 0.000 1.030 328 S CA 0.900 59.046 58.200 -0.091 0.000 1.003 328 S CB -0.509 62.653 63.200 -0.062 0.000 0.813 328 S HN 0.569 nan 8.310 nan 0.000 0.477 329 A N 1.812 124.594 122.820 -0.064 0.000 1.933 329 A HA 0.144 4.491 4.320 0.046 0.000 0.218 329 A C 2.335 179.877 177.584 -0.070 0.000 1.175 329 A CA 1.385 53.388 52.037 -0.056 0.000 0.628 329 A CB -0.773 18.199 19.000 -0.048 0.000 0.814 329 A HN 0.553 nan 8.150 nan 0.000 0.444 330 L N -0.690 120.476 121.223 -0.096 0.000 2.093 330 L HA -0.129 4.239 4.340 0.046 0.000 0.208 330 L C 2.518 179.314 176.870 -0.123 0.000 1.085 330 L CA 0.796 55.558 54.840 -0.129 0.000 0.755 330 L CB -0.363 41.585 42.059 -0.185 0.000 0.904 330 L HN 0.261 nan 8.230 nan 0.000 0.435 331 V N 0.249 120.096 119.914 -0.112 0.000 2.261 331 V HA -0.276 3.872 4.120 0.046 0.000 0.246 331 V C 2.067 178.120 176.094 -0.068 0.000 1.047 331 V CA 1.991 64.232 62.300 -0.098 0.000 1.015 331 V CB -0.651 31.112 31.823 -0.099 0.000 0.642 331 V HN 0.506 nan 8.190 nan 0.000 0.446 332 N N -0.076 118.591 118.700 -0.056 0.000 2.309 332 N HA -0.156 4.611 4.740 0.046 0.000 0.182 332 N C 1.842 177.328 175.510 -0.038 0.000 1.018 332 N CA 1.042 54.069 53.050 -0.038 0.000 0.876 332 N CB -0.306 38.163 38.487 -0.029 0.000 0.972 332 N HN 0.581 nan 8.380 nan 0.000 0.434 333 Q N 0.080 119.851 119.800 -0.047 0.000 2.123 333 Q HA 0.080 4.448 4.340 0.046 0.000 0.199 333 Q C 1.893 177.867 176.000 -0.043 0.000 0.966 333 Q CA 0.669 56.447 55.803 -0.041 0.000 0.845 333 Q CB 0.001 28.713 28.738 -0.043 0.000 0.907 333 Q HN 0.426 nan 8.270 nan 0.000 0.439 334 I N 0.224 120.759 120.570 -0.059 0.000 2.286 334 I HA -0.198 3.999 4.170 0.046 0.000 0.248 334 I C 2.261 178.343 176.117 -0.059 0.000 1.115 334 I CA 1.148 62.412 61.300 -0.061 0.000 1.392 334 I CB -0.513 37.441 38.000 -0.078 0.000 1.065 334 I HN 0.256 nan 8.210 nan 0.000 0.418 335 G N 0.284 109.051 108.800 -0.054 0.000 2.404 335 G HA2 -0.179 3.808 3.960 0.046 0.000 0.215 335 G HA3 -0.179 3.808 3.960 0.046 0.000 0.215 335 G C 1.474 176.349 174.900 -0.042 0.000 1.174 335 G CA 0.380 45.449 45.100 -0.053 0.000 0.780 335 G HN 0.362 nan 8.290 nan 0.000 0.537 336 E N -0.091 120.091 120.200 -0.030 0.000 2.013 336 E HA -0.158 4.220 4.350 0.046 0.000 0.202 336 E C 2.364 178.953 176.600 -0.020 0.000 1.018 336 E CA 1.063 57.450 56.400 -0.021 0.000 0.834 336 E CB -0.279 29.411 29.700 -0.017 0.000 0.770 336 E HN 0.397 nan 8.360 nan 0.000 0.459 337 I N 0.691 121.251 120.570 -0.018 0.000 2.335 337 I HA -0.251 3.946 4.170 0.046 0.000 0.251 337 I C 1.801 177.908 176.117 -0.015 0.000 1.129 337 I CA 0.817 62.112 61.300 -0.009 0.000 1.402 337 I CB 0.189 38.188 38.000 -0.001 0.000 1.069 337 I HN 0.099 nan 8.210 nan 0.000 0.424 338 L N 1.036 122.238 121.223 -0.034 0.000 2.591 338 L HA 0.243 4.610 4.340 0.046 0.000 0.228 338 L C 1.579 178.416 176.870 -0.055 0.000 1.133 338 L CA 1.095 55.904 54.840 -0.053 0.000 0.880 338 L CB -0.856 41.152 42.059 -0.084 0.000 1.033 338 L HN 0.422 nan 8.230 nan 0.000 0.450 339 G N -0.504 108.272 108.800 -0.040 0.000 2.203 339 G HA2 -0.252 3.735 3.960 0.046 0.000 0.263 339 G HA3 -0.252 3.735 3.960 0.046 0.000 0.263 339 G C 0.488 175.361 174.900 -0.044 0.000 1.012 339 G CA 0.411 45.492 45.100 -0.032 0.000 0.749 339 G HN 0.724 nan 8.290 nan 0.000 0.512 340 A N -0.444 122.336 122.820 -0.067 0.000 2.312 340 A HA 0.626 4.973 4.320 0.046 0.000 0.326 340 A C 0.020 177.576 177.584 -0.046 0.000 1.172 340 A CA -0.061 51.921 52.037 -0.092 0.000 0.821 340 A CB 0.951 19.838 19.000 -0.189 0.000 1.166 340 A HN 0.328 nan 8.150 nan 0.000 0.493 341 D N 1.872 122.268 120.400 -0.007 0.000 2.295 341 D HA 0.298 4.965 4.640 0.046 0.000 0.248 341 D C 0.516 176.890 176.300 0.124 0.000 1.154 341 D CA -0.348 53.683 54.000 0.051 0.000 0.857 341 D CB 0.932 41.775 40.800 0.070 0.000 1.117 341 D HN 0.182 nan 8.370 nan 0.000 0.468 342 L N 2.846 124.135 121.223 0.110 0.000 2.209 342 L HA 0.039 4.406 4.340 0.046 0.000 0.207 342 L C 1.081 178.062 176.870 0.186 0.000 1.094 342 L CA 0.995 55.941 54.840 0.177 0.000 0.790 342 L CB -0.308 41.805 42.059 0.090 0.000 0.932 342 L HN 0.448 nan 8.230 nan 0.000 0.447 343 D N 0.332 120.800 120.400 0.114 0.000 3.032 343 D HA 0.080 4.748 4.640 0.046 0.000 0.241 343 D C -0.393 175.943 176.300 0.060 0.000 1.196 343 D CA 0.234 54.276 54.000 0.071 0.000 0.927 343 D CB 0.302 41.131 40.800 0.048 0.000 1.129 343 D HN -0.053 nan 8.370 nan 0.000 0.458 344 V N 2.207 122.156 119.914 0.059 0.000 2.313 344 V HA 0.219 4.366 4.120 0.046 0.000 0.278 344 V C 0.692 176.688 176.094 -0.164 0.000 1.017 344 V CA -0.775 61.519 62.300 -0.009 0.000 0.823 344 V CB 1.498 33.384 31.823 0.105 0.000 1.010 344 V HN 0.146 nan 8.190 nan 0.000 0.443 345 I N 7.660 128.181 120.570 -0.083 0.000 2.662 345 I HA 0.166 4.363 4.170 0.046 0.000 0.285 345 I C 0.276 176.305 176.117 -0.147 0.000 1.161 345 I CA 0.707 61.965 61.300 -0.069 0.000 1.415 345 I CB 0.206 38.218 38.000 0.022 0.000 1.385 345 I HN 0.742 nan 8.210 nan 0.000 0.552 346 M N 4.335 123.804 119.600 -0.218 0.000 3.213 346 M HA 0.694 5.202 4.480 0.046 0.000 0.278 346 M C -1.014 175.138 176.300 -0.247 0.000 1.332 346 M CA -0.582 54.501 55.300 -0.362 0.000 0.810 346 M CB 1.964 34.302 32.600 -0.437 0.000 1.676 346 M HN 0.104 nan 8.290 nan 0.000 0.463 347 S N 0.072 115.610 115.700 -0.269 0.000 2.533 347 S HA 0.794 5.292 4.470 0.046 0.000 0.271 347 S C -1.705 172.847 174.600 -0.080 0.000 1.143 347 S CA -0.787 57.329 58.200 -0.141 0.000 0.891 347 S CB 1.470 64.713 63.200 0.072 0.000 1.105 347 S HN 0.701 nan 8.310 nan 0.000 0.468 348 L N 3.707 124.872 121.223 -0.097 0.000 2.313 348 L HA 0.465 4.833 4.340 0.046 0.000 0.273 348 L C -0.431 176.584 176.870 0.242 0.000 1.028 348 L CA -0.621 54.221 54.840 0.004 0.000 0.871 348 L CB 0.717 42.649 42.059 -0.212 0.000 1.242 348 L HN 0.513 nan 8.230 nan 0.000 0.434 349 N N 2.976 121.829 118.700 0.255 0.000 2.434 349 N HA 0.067 4.834 4.740 0.046 0.000 0.272 349 N C -0.344 175.268 175.510 0.169 0.000 1.040 349 N CA -0.185 52.983 53.050 0.198 0.000 0.956 349 N CB 1.671 40.231 38.487 0.122 0.000 1.108 349 N HN 0.585 nan 8.380 nan 0.000 0.481 350 N N 3.475 122.234 118.700 0.098 0.000 2.427 350 N HA 0.003 4.770 4.740 0.046 0.000 0.269 350 N C -0.919 174.487 175.510 -0.173 0.000 1.235 350 N CA -0.064 52.842 53.050 -0.241 0.000 0.934 350 N CB 0.460 38.788 38.487 -0.264 0.000 1.121 350 N HN 0.398 nan 8.380 nan 0.000 0.480 351 L N 3.659 124.778 121.223 -0.173 0.000 2.356 351 L HA 0.246 4.614 4.340 0.046 0.000 0.264 351 L C -0.821 175.996 176.870 -0.089 0.000 1.029 351 L CA -0.404 54.380 54.840 -0.094 0.000 0.897 351 L CB 0.894 42.928 42.059 -0.041 0.000 1.256 351 L HN 0.617 nan 8.230 nan 0.000 0.444 352 D N 1.103 121.448 120.400 -0.091 0.000 2.714 352 D HA 0.063 4.731 4.640 0.046 0.000 0.264 352 D C 0.962 177.228 176.300 -0.056 0.000 1.231 352 D CA -0.230 53.732 54.000 -0.063 0.000 0.802 352 D CB 0.771 41.530 40.800 -0.069 0.000 1.319 352 D HN 0.165 nan 8.370 nan 0.000 0.528 353 E N 0.858 121.031 120.200 -0.045 0.000 2.312 353 E HA -0.250 4.127 4.350 0.046 0.000 0.209 353 E C 0.644 177.224 176.600 -0.032 0.000 1.047 353 E CA 1.215 57.592 56.400 -0.038 0.000 0.840 353 E CB 0.113 29.798 29.700 -0.025 0.000 0.738 353 E HN 0.658 nan 8.360 nan 0.000 0.478 354 E N -0.540 119.644 120.200 -0.026 0.000 2.368 354 E HA 0.117 4.495 4.350 0.046 0.000 0.188 354 E C -0.527 176.067 176.600 -0.010 0.000 1.061 354 E CA -0.210 56.181 56.400 -0.014 0.000 0.933 354 E CB 0.459 30.155 29.700 -0.007 0.000 1.091 354 E HN -0.034 nan 8.360 nan 0.000 0.458 355 S N 0.998 116.684 115.700 -0.023 0.000 2.593 355 S HA 0.131 4.629 4.470 0.046 0.000 0.297 355 S C 0.773 175.362 174.600 -0.017 0.000 1.112 355 S CA -0.930 57.260 58.200 -0.015 0.000 1.043 355 S CB 0.999 64.175 63.200 -0.040 0.000 1.054 355 S HN 0.350 nan 8.310 nan 0.000 0.516 356 N N 1.126 119.832 118.700 0.010 0.000 2.336 356 N HA -0.069 4.699 4.740 0.046 0.000 0.189 356 N C -0.236 175.273 175.510 -0.002 0.000 1.113 356 N CA -0.056 52.997 53.050 0.006 0.000 0.858 356 N CB -0.032 38.474 38.487 0.031 0.000 0.970 356 N HN 0.612 nan 8.380 nan 0.000 0.471 357 K N 0.853 121.253 120.400 0.001 0.000 2.403 357 K HA 0.319 4.666 4.320 0.046 0.000 0.235 357 K C 0.335 176.919 176.600 -0.027 0.000 1.142 357 K CA -0.737 55.557 56.287 0.011 0.000 1.114 357 K CB 1.199 33.732 32.500 0.054 0.000 1.777 357 K HN -0.280 nan 8.250 nan 0.000 0.424 358 K N 1.168 121.496 120.400 -0.120 0.000 2.148 358 K HA -0.025 4.323 4.320 0.046 0.000 0.204 358 K C -0.069 176.252 176.600 -0.464 0.000 1.050 358 K CA 1.288 57.380 56.287 -0.325 0.000 0.942 358 K CB -0.077 32.140 32.500 -0.472 0.000 0.724 358 K HN 0.649 nan 8.250 nan 0.000 0.446 359 H N -1.687 117.382 119.070 -0.002 0.000 2.895 359 H HA 0.135 4.719 4.556 0.046 0.000 0.373 359 H C -1.832 173.314 175.328 -0.304 0.000 1.174 359 H CA -1.589 54.353 56.048 -0.177 0.000 1.144 359 H CB 2.280 31.842 29.762 -0.333 0.000 1.793 359 H HN -0.200 nan 8.280 nan 0.000 0.551 360 P HA -0.064 nan 4.420 nan 0.000 0.222 360 P C -0.577 176.585 177.300 -0.230 0.000 1.153 360 P CA 1.112 63.924 63.100 -0.481 0.000 0.798 360 P CB 0.532 31.782 31.700 -0.751 0.000 0.796 361 F N -4.279 115.504 119.950 -0.278 0.000 2.703 361 F HA 0.633 5.188 4.527 0.046 0.000 0.308 361 F C -3.236 172.209 175.800 -0.592 0.000 1.126 361 F CA -3.537 54.191 58.000 -0.454 0.000 0.959 361 F CB -0.543 38.197 39.000 -0.433 0.000 1.297 361 F HN -0.426 nan 8.300 nan 0.000 0.441 362 P HA 0.020 nan 4.420 nan 0.000 0.255 362 P C -0.791 176.106 177.300 -0.671 0.000 1.151 362 P CA 0.544 63.071 63.100 -0.956 0.000 0.767 362 P CB -0.040 30.885 31.700 -1.292 0.000 0.736 363 C N 5.803 124.670 119.300 -0.723 0.000 2.802 363 C HA 0.547 5.035 4.460 0.046 0.000 0.307 363 C C -2.248 172.588 174.990 -0.257 0.000 1.222 363 C CA -1.635 57.087 59.018 -0.494 0.000 1.580 363 C CB 1.853 29.087 27.740 -0.843 0.000 2.119 363 C HN 0.439 nan 8.230 nan 0.000 0.479 364 P HA 0.511 nan 4.420 nan 0.000 0.274 364 P C -0.515 176.843 177.300 0.095 0.000 1.231 364 P CA 0.266 63.386 63.100 0.033 0.000 0.790 364 P CB 0.776 32.554 31.700 0.130 0.000 0.951 365 T N -0.608 113.984 114.554 0.064 0.000 2.775 365 T HA 0.449 4.826 4.350 0.046 0.000 0.320 365 T C -0.844 173.855 174.700 -0.002 0.000 1.597 365 T CA -0.506 61.651 62.100 0.096 0.000 1.022 365 T CB 0.432 69.433 68.868 0.222 0.000 1.485 365 T HN 0.481 nan 8.240 nan 0.000 0.494 366 T N 0.909 115.458 114.554 -0.008 0.000 2.788 366 T HA 0.378 4.755 4.350 0.046 0.000 0.287 366 T C 0.862 175.518 174.700 -0.073 0.000 1.007 366 T CA -0.179 61.872 62.100 -0.081 0.000 1.005 366 T CB 0.309 69.173 68.868 -0.006 0.000 1.012 366 T HN 0.547 nan 8.240 nan 0.000 0.530 367 Y N -0.090 120.238 120.300 0.047 0.000 2.242 367 Y HA 0.065 4.642 4.550 0.046 0.000 0.291 367 Y C 2.949 178.839 175.900 -0.016 0.000 1.137 367 Y CA 0.990 59.104 58.100 0.023 0.000 1.181 367 Y CB -0.505 37.963 38.460 0.014 0.000 0.989 367 Y HN 0.643 nan 8.280 nan 0.000 0.527 368 R N -0.168 120.415 120.500 0.138 0.000 2.070 368 R HA -0.163 4.205 4.340 0.046 0.000 0.233 368 R C 1.972 178.293 176.300 0.035 0.000 1.137 368 R CA 2.220 58.358 56.100 0.064 0.000 0.945 368 R CB -0.561 29.773 30.300 0.057 0.000 0.845 368 R HN 0.198 nan 8.270 nan 0.000 0.430 369 T N 0.835 115.418 114.554 0.047 0.000 2.803 369 T HA -0.129 4.249 4.350 0.046 0.000 0.269 369 T C 1.716 176.386 174.700 -0.049 0.000 1.052 369 T CA 1.243 63.371 62.100 0.047 0.000 1.136 369 T CB -0.266 68.603 68.868 0.001 0.000 0.864 369 T HN 0.491 nan 8.240 nan 0.000 0.467 370 A N 1.677 124.460 122.820 -0.060 0.000 1.828 370 A HA -0.003 4.345 4.320 0.046 0.000 0.215 370 A C 2.123 179.561 177.584 -0.244 0.000 1.203 370 A CA 1.157 53.054 52.037 -0.234 0.000 0.614 370 A CB -0.986 17.777 19.000 -0.396 0.000 0.844 370 A HN 0.335 nan 8.150 nan 0.000 0.445 371 L N 0.241 121.366 121.223 -0.163 0.000 2.189 371 L HA -0.143 4.225 4.340 0.046 0.000 0.214 371 L C 2.543 179.306 176.870 -0.178 0.000 1.097 371 L CA 2.337 57.090 54.840 -0.146 0.000 0.764 371 L CB -1.308 40.695 42.059 -0.093 0.000 0.900 371 L HN 0.455 nan 8.230 nan 0.000 0.436 372 T N -2.664 111.773 114.554 -0.196 0.000 2.976 372 T HA -0.049 4.329 4.350 0.046 0.000 0.257 372 T C 1.146 175.508 174.700 -0.563 0.000 1.051 372 T CA 1.081 62.963 62.100 -0.363 0.000 1.141 372 T CB -0.064 68.577 68.868 -0.379 0.000 0.881 372 T HN 0.240 nan 8.240 nan 0.000 0.461 373 Y N -1.927 118.146 120.300 -0.378 0.000 2.432 373 Y HA 0.377 4.954 4.550 0.045 0.000 0.252 373 Y C 1.116 176.794 175.900 -0.369 0.000 1.097 373 Y CA -0.735 57.100 58.100 -0.441 0.000 1.250 373 Y CB 0.518 38.611 38.460 -0.613 0.000 1.245 373 Y HN 0.126 nan 8.280 nan 0.000 0.522 374 Y N -0.518 119.736 120.300 -0.076 0.000 2.535 374 Y HA 0.392 4.970 4.550 0.046 0.000 0.264 374 Y C 0.386 176.170 175.900 -0.193 0.000 1.087 374 Y CA -0.743 57.258 58.100 -0.165 0.000 1.285 374 Y CB 0.315 38.590 38.460 -0.309 0.000 1.200 374 Y HN -0.176 nan 8.280 nan 0.000 0.514 375 L N 0.331 121.501 121.223 -0.087 0.000 2.334 375 L HA 0.340 4.707 4.340 0.046 0.000 0.270 375 L C -0.187 176.643 176.870 -0.067 0.000 1.018 375 L CA -0.861 53.925 54.840 -0.090 0.000 0.811 375 L CB 1.279 43.249 42.059 -0.148 0.000 1.271 375 L HN -0.082 nan 8.230 nan 0.000 0.443 376 D N 2.728 123.107 120.400 -0.034 0.000 2.380 376 D HA 0.210 4.877 4.640 0.046 0.000 0.230 376 D C 0.398 176.681 176.300 -0.029 0.000 1.154 376 D CA -0.230 53.756 54.000 -0.024 0.000 0.859 376 D CB 1.131 41.937 40.800 0.009 0.000 1.045 376 D HN 0.557 nan 8.370 nan 0.000 0.495 377 I N 1.247 121.780 120.570 -0.061 0.000 3.974 377 I HA 0.146 4.343 4.170 0.046 0.000 0.334 377 I C 0.949 177.012 176.117 -0.090 0.000 1.437 377 I CA -0.288 60.963 61.300 -0.081 0.000 1.113 377 I CB 0.448 38.368 38.000 -0.133 0.000 1.063 377 I HN 0.152 nan 8.210 nan 0.000 0.400 378 T N -2.540 112.002 114.554 -0.021 0.000 3.085 378 T HA 0.236 4.613 4.350 0.046 0.000 0.241 378 T C 0.838 175.618 174.700 0.132 0.000 0.988 378 T CA -0.080 62.051 62.100 0.052 0.000 1.117 378 T CB -0.508 68.380 68.868 0.035 0.000 0.978 378 T HN 0.171 nan 8.240 nan 0.000 0.454 379 N N 3.703 122.458 118.700 0.093 0.000 2.407 379 N HA 0.280 5.047 4.740 0.046 0.000 0.250 379 N C -2.777 172.800 175.510 0.112 0.000 1.236 379 N CA -1.357 51.753 53.050 0.100 0.000 0.879 379 N CB 0.025 38.563 38.487 0.084 0.000 1.088 379 N HN 0.280 nan 8.380 nan 0.000 0.450 380 P HA 0.100 nan 4.420 nan 0.000 0.264 380 P C -2.255 175.144 177.300 0.165 0.000 1.193 380 P CA -0.480 62.681 63.100 0.101 0.000 0.763 380 P CB 0.031 31.758 31.700 0.045 0.000 0.810 381 P HA 0.111 nan 4.420 nan 0.000 0.268 381 P C 0.046 177.545 177.300 0.331 0.000 1.208 381 P CA 0.212 63.448 63.100 0.227 0.000 0.777 381 P CB 0.631 32.461 31.700 0.216 0.000 0.875 382 R N 0.582 121.242 120.500 0.267 0.000 2.553 382 R HA 0.277 4.644 4.340 0.046 0.000 0.263 382 R C 1.587 177.969 176.300 0.137 0.000 1.066 382 R CA -0.501 55.759 56.100 0.268 0.000 1.135 382 R CB -0.046 30.401 30.300 0.244 0.000 1.148 382 R HN 0.393 nan 8.270 nan 0.000 0.558 383 T N 1.289 115.829 114.554 -0.023 0.000 2.653 383 T HA -0.248 4.129 4.350 0.046 0.000 0.268 383 T C 1.503 176.261 174.700 0.097 0.000 1.035 383 T CA 2.379 64.431 62.100 -0.080 0.000 1.154 383 T CB -0.481 68.315 68.868 -0.119 0.000 0.862 383 T HN 0.762 nan 8.240 nan 0.000 0.441 384 N N 1.353 120.133 118.700 0.134 0.000 2.120 384 N HA -0.114 4.653 4.740 0.046 0.000 0.188 384 N C 1.946 177.569 175.510 0.189 0.000 1.024 384 N CA 1.404 54.554 53.050 0.167 0.000 0.852 384 N CB -0.592 37.995 38.487 0.166 0.000 1.003 384 N HN 0.383 nan 8.380 nan 0.000 0.424 385 V N 0.041 120.051 119.914 0.160 0.000 2.453 385 V HA -0.006 4.141 4.120 0.046 0.000 0.247 385 V C 1.896 178.075 176.094 0.142 0.000 1.048 385 V CA 1.077 63.456 62.300 0.133 0.000 1.049 385 V CB -0.630 31.261 31.823 0.114 0.000 0.672 385 V HN 0.397 nan 8.190 nan 0.000 0.457 386 L N -1.265 120.060 121.223 0.169 0.000 2.141 386 L HA -0.106 4.261 4.340 0.046 0.000 0.209 386 L C 2.582 179.529 176.870 0.128 0.000 1.094 386 L CA 2.257 57.198 54.840 0.169 0.000 0.763 386 L CB -0.627 41.554 42.059 0.203 0.000 0.908 386 L HN 0.456 nan 8.230 nan 0.000 0.437 387 Y N 0.736 121.077 120.300 0.069 0.000 2.263 387 Y HA -0.192 4.385 4.550 0.046 0.000 0.292 387 Y C 2.660 178.596 175.900 0.061 0.000 1.130 387 Y CA 1.330 59.481 58.100 0.085 0.000 1.179 387 Y CB 0.230 38.768 38.460 0.131 0.000 0.998 387 Y HN 0.123 nan 8.280 nan 0.000 0.532 388 E N 0.150 120.478 120.200 0.214 0.000 2.072 388 E HA -0.137 4.241 4.350 0.046 0.000 0.190 388 E C 2.152 178.781 176.600 0.049 0.000 0.982 388 E CA 1.061 57.549 56.400 0.148 0.000 0.803 388 E CB -0.446 29.332 29.700 0.130 0.000 0.755 388 E HN 0.512 nan 8.360 nan 0.000 0.453 389 L N 0.629 121.895 121.223 0.073 0.000 2.465 389 L HA -0.005 4.363 4.340 0.046 0.000 0.224 389 L C 2.323 179.214 176.870 0.036 0.000 1.145 389 L CA 0.414 55.378 54.840 0.206 0.000 0.834 389 L CB -0.449 41.708 42.059 0.163 0.000 0.944 389 L HN 0.021 nan 8.230 nan 0.000 0.451 390 A N 0.820 123.512 122.820 -0.214 0.000 2.024 390 A HA -0.246 4.102 4.320 0.046 0.000 0.220 390 A C 2.303 179.637 177.584 -0.418 0.000 1.164 390 A CA 1.677 53.431 52.037 -0.470 0.000 0.643 390 A CB -0.415 17.906 19.000 -1.133 0.000 0.806 390 A HN 0.667 nan 8.150 nan 0.000 0.451 391 Q N -2.006 117.549 119.800 -0.408 0.000 2.291 391 Q HA -0.146 4.222 4.340 0.046 0.000 0.205 391 Q C 1.004 176.740 176.000 -0.441 0.000 0.970 391 Q CA 1.409 56.956 55.803 -0.426 0.000 0.876 391 Q CB -0.512 27.921 28.738 -0.508 0.000 0.935 391 Q HN 0.710 nan 8.270 nan 0.000 0.455 392 Y N 1.025 121.297 120.300 -0.046 0.000 2.490 392 Y HA 0.379 4.956 4.550 0.046 0.000 0.281 392 Y C 0.797 176.673 175.900 -0.041 0.000 1.174 392 Y CA -0.225 57.861 58.100 -0.022 0.000 1.295 392 Y CB 0.185 38.646 38.460 0.001 0.000 1.062 392 Y HN 0.152 nan 8.280 nan 0.000 0.522 393 A N 0.292 123.111 122.820 -0.001 0.000 2.269 393 A HA 0.392 4.739 4.320 0.046 0.000 0.302 393 A C 1.349 178.902 177.584 -0.051 0.000 1.266 393 A CA 0.146 52.157 52.037 -0.042 0.000 0.894 393 A CB 0.273 19.187 19.000 -0.144 0.000 1.147 393 A HN 0.363 nan 8.150 nan 0.000 0.537 394 S N 2.068 117.757 115.700 -0.019 0.000 2.387 394 S HA -0.037 4.460 4.470 0.046 0.000 0.226 394 S C 0.483 175.058 174.600 -0.043 0.000 1.026 394 S CA 0.594 58.781 58.200 -0.021 0.000 0.972 394 S CB -0.249 62.952 63.200 0.002 0.000 0.814 394 S HN 0.671 nan 8.310 nan 0.000 0.477 395 E N 3.192 123.360 120.200 -0.054 0.000 2.257 395 E HA 0.201 4.578 4.350 0.046 0.000 0.278 395 E C -1.564 174.967 176.600 -0.115 0.000 1.049 395 E CA -2.427 53.931 56.400 -0.070 0.000 0.876 395 E CB 0.894 30.558 29.700 -0.060 0.000 1.035 395 E HN 0.299 nan 8.360 nan 0.000 0.419 396 P HA -0.202 nan 4.420 nan 0.000 0.216 396 P C 1.156 178.343 177.300 -0.188 0.000 1.150 396 P CA 1.307 64.332 63.100 -0.124 0.000 0.837 396 P CB 0.289 31.934 31.700 -0.091 0.000 0.786 397 S N 0.682 116.263 115.700 -0.199 0.000 2.359 397 S HA -0.195 4.303 4.470 0.046 0.000 0.224 397 S C 1.984 176.297 174.600 -0.478 0.000 1.035 397 S CA 1.248 59.268 58.200 -0.301 0.000 1.018 397 S CB -1.252 61.834 63.200 -0.190 0.000 0.876 397 S HN 0.291 nan 8.310 nan 0.000 0.448 398 E N 1.078 121.055 120.200 -0.372 0.000 2.112 398 E HA -0.119 4.258 4.350 0.046 0.000 0.190 398 E C 2.366 178.665 176.600 -0.501 0.000 0.979 398 E CA 0.768 56.840 56.400 -0.546 0.000 0.814 398 E CB -0.224 29.148 29.700 -0.548 0.000 0.762 398 E HN 0.687 nan 8.360 nan 0.000 0.460 399 Q N 0.976 120.566 119.800 -0.350 0.000 2.096 399 Q HA -0.227 4.141 4.340 0.046 0.000 0.204 399 Q C 1.929 177.746 176.000 -0.307 0.000 0.982 399 Q CA 1.285 56.898 55.803 -0.317 0.000 0.850 399 Q CB 0.178 28.786 28.738 -0.217 0.000 0.901 399 Q HN 0.095 nan 8.270 nan 0.000 0.422 400 E N -0.384 119.669 120.200 -0.245 0.000 2.150 400 E HA -0.163 4.215 4.350 0.046 0.000 0.193 400 E C 1.749 178.287 176.600 -0.105 0.000 0.985 400 E CA 1.095 57.408 56.400 -0.147 0.000 0.814 400 E CB -0.201 29.390 29.700 -0.180 0.000 0.752 400 E HN 0.624 nan 8.360 nan 0.000 0.466 401 H N 0.085 119.052 119.070 -0.171 0.000 2.389 401 H HA 0.012 4.595 4.556 0.046 0.000 0.299 401 H C 2.262 177.542 175.328 -0.080 0.000 1.081 401 H CA 0.747 56.713 56.048 -0.136 0.000 1.345 401 H CB 0.156 29.787 29.762 -0.218 0.000 1.393 401 H HN 0.040 nan 8.280 nan 0.000 0.520 402 L N -0.131 121.056 121.223 -0.059 0.000 2.093 402 L HA -0.201 4.167 4.340 0.046 0.000 0.208 402 L C 2.238 179.058 176.870 -0.084 0.000 1.085 402 L CA 0.937 55.740 54.840 -0.062 0.000 0.755 402 L CB -0.325 41.610 42.059 -0.207 0.000 0.904 402 L HN 0.469 nan 8.230 nan 0.000 0.435 403 H N 0.318 119.289 119.070 -0.164 0.000 2.462 403 H HA -0.040 4.544 4.556 0.046 0.000 0.292 403 H C 2.042 177.430 175.328 0.101 0.000 1.049 403 H CA 0.958 56.852 56.048 -0.256 0.000 1.334 403 H CB 0.233 29.811 29.762 -0.305 0.000 1.404 403 H HN 0.303 nan 8.280 nan 0.000 0.544 404 K N -0.172 120.354 120.400 0.209 0.000 2.262 404 K HA 0.066 4.414 4.320 0.046 0.000 0.200 404 K C 1.940 178.653 176.600 0.188 0.000 1.049 404 K CA 0.157 56.561 56.287 0.194 0.000 0.979 404 K CB 0.205 32.803 32.500 0.163 0.000 0.773 404 K HN 0.166 nan 8.250 nan 0.000 0.474 405 M N 0.461 120.176 119.600 0.191 0.000 2.539 405 M HA -0.098 4.409 4.480 0.046 0.000 0.261 405 M C 1.914 178.253 176.300 0.065 0.000 1.069 405 M CA 0.933 56.338 55.300 0.176 0.000 1.081 405 M CB -0.135 32.605 32.600 0.233 0.000 1.412 405 M HN 0.117 nan 8.290 nan 0.000 0.482 406 A N -0.464 122.440 122.820 0.141 0.000 2.208 406 A HA 0.096 4.443 4.320 0.046 0.000 0.209 406 A C 1.022 178.638 177.584 0.053 0.000 1.161 406 A CA 0.118 52.206 52.037 0.084 0.000 0.782 406 A CB -0.209 18.916 19.000 0.207 0.000 0.816 406 A HN 0.310 nan 8.150 nan 0.000 0.477 407 S N 0.794 116.550 115.700 0.093 0.000 2.562 407 S HA 0.196 4.693 4.470 0.046 0.000 0.281 407 S C 1.395 176.040 174.600 0.075 0.000 1.333 407 S CA 0.324 58.572 58.200 0.081 0.000 1.052 407 S CB 1.114 64.373 63.200 0.099 0.000 0.884 407 S HN 0.666 nan 8.310 nan 0.000 0.506 408 S N 0.639 116.377 115.700 0.063 0.000 2.593 408 S HA 0.235 4.733 4.470 0.046 0.000 0.217 408 S C 0.443 175.096 174.600 0.087 0.000 0.966 408 S CA 0.059 58.303 58.200 0.074 0.000 0.914 408 S CB -0.364 62.868 63.200 0.054 0.000 0.776 408 S HN 0.819 nan 8.310 nan 0.000 0.523 409 S N -1.440 114.311 115.700 0.085 0.000 2.615 409 S HA 0.738 5.235 4.470 0.046 0.000 0.268 409 S C 0.043 174.692 174.600 0.081 0.000 1.146 409 S CA -0.369 57.881 58.200 0.083 0.000 0.818 409 S CB 0.798 64.039 63.200 0.068 0.000 1.111 409 S HN 1.759 nan 8.310 nan 0.000 0.465 410 G N 0.945 109.790 108.800 0.076 0.000 2.698 410 G HA2 -0.072 3.915 3.960 0.046 0.000 0.225 410 G HA3 -0.072 3.915 3.960 0.046 0.000 0.225 410 G C 0.134 175.082 174.900 0.081 0.000 1.345 410 G CA 0.267 45.410 45.100 0.071 0.000 0.871 410 G HN 0.778 nan 8.290 nan 0.000 0.540 411 E N 0.461 120.705 120.200 0.075 0.000 2.268 411 E HA -0.056 4.322 4.350 0.046 0.000 0.195 411 E C 2.591 179.246 176.600 0.092 0.000 0.995 411 E CA 1.648 58.093 56.400 0.075 0.000 0.836 411 E CB -0.649 29.088 29.700 0.062 0.000 0.763 411 E HN 0.778 nan 8.360 nan 0.000 0.491 412 G N 1.260 110.124 108.800 0.108 0.000 2.402 412 G HA2 -0.277 3.711 3.960 0.046 0.000 0.216 412 G HA3 -0.277 3.711 3.960 0.046 0.000 0.216 412 G C 1.625 176.626 174.900 0.167 0.000 1.162 412 G CA 0.838 46.019 45.100 0.134 0.000 0.777 412 G HN 0.247 nan 8.290 nan 0.000 0.539 413 K N 0.165 120.659 120.400 0.156 0.000 2.103 413 K HA -0.031 4.317 4.320 0.046 0.000 0.204 413 K C 2.302 179.026 176.600 0.206 0.000 1.052 413 K CA 1.302 57.707 56.287 0.196 0.000 0.945 413 K CB -0.060 32.533 32.500 0.156 0.000 0.722 413 K HN 0.203 nan 8.250 nan 0.000 0.443 414 E N 0.674 120.962 120.200 0.146 0.000 2.072 414 E HA -0.149 4.229 4.350 0.046 0.000 0.191 414 E C 1.741 178.417 176.600 0.127 0.000 0.985 414 E CA 0.755 57.227 56.400 0.119 0.000 0.801 414 E CB -0.085 29.666 29.700 0.085 0.000 0.750 414 E HN 0.225 nan 8.360 nan 0.000 0.452 415 L N -0.280 121.021 121.223 0.129 0.000 2.093 415 L HA -0.113 4.255 4.340 0.046 0.000 0.208 415 L C 2.017 179.034 176.870 0.245 0.000 1.085 415 L CA 1.517 56.430 54.840 0.121 0.000 0.755 415 L CB -0.586 41.477 42.059 0.006 0.000 0.904 415 L HN 0.232 nan 8.230 nan 0.000 0.435 416 Y N -0.087 120.305 120.300 0.154 0.000 2.089 416 Y HA -0.229 4.349 4.550 0.046 0.000 0.282 416 Y C 2.186 178.191 175.900 0.174 0.000 1.139 416 Y CA 2.037 60.252 58.100 0.191 0.000 1.123 416 Y CB -0.572 37.992 38.460 0.174 0.000 0.980 416 Y HN 0.148 nan 8.280 nan 0.000 0.493 417 L N -0.700 120.525 121.223 0.004 0.000 2.127 417 L HA -0.245 4.122 4.340 0.046 0.000 0.211 417 L C 2.391 179.233 176.870 -0.047 0.000 1.089 417 L CA 1.537 56.315 54.840 -0.103 0.000 0.757 417 L CB -0.667 41.412 42.059 0.032 0.000 0.899 417 L HN 0.191 nan 8.230 nan 0.000 0.434 418 S N -1.489 114.240 115.700 0.047 0.000 2.327 418 S HA -0.141 4.357 4.470 0.046 0.000 0.213 418 S C 1.470 176.132 174.600 0.104 0.000 1.032 418 S CA 0.542 58.785 58.200 0.072 0.000 0.960 418 S CB -0.465 62.798 63.200 0.104 0.000 0.900 418 S HN 0.470 nan 8.310 nan 0.000 0.469 419 W N 2.013 123.286 121.300 -0.046 0.000 2.465 419 W HA 0.008 4.696 4.660 0.047 0.000 0.268 419 W C 1.649 178.126 176.519 -0.069 0.000 1.242 419 W CA 0.762 58.072 57.345 -0.057 0.000 1.248 419 W CB -0.011 29.421 29.460 -0.047 0.000 1.118 419 W HN 0.014 nan 8.180 nan 0.000 0.587 420 V N -2.075 117.878 119.914 0.064 0.000 3.050 420 V HA -0.104 4.043 4.120 0.046 0.000 0.223 420 V C 1.797 177.796 176.094 -0.158 0.000 1.162 420 V CA 0.945 63.207 62.300 -0.063 0.000 1.247 420 V CB -0.866 31.015 31.823 0.098 0.000 1.125 420 V HN -0.198 nan 8.190 nan 0.000 0.508 421 V N 0.288 120.033 119.914 -0.282 0.000 2.219 421 V HA -0.261 3.887 4.120 0.046 0.000 0.248 421 V C 2.581 178.607 176.094 -0.115 0.000 1.053 421 V CA 2.343 64.510 62.300 -0.221 0.000 1.009 421 V CB -0.698 30.951 31.823 -0.290 0.000 0.636 421 V HN 0.535 nan 8.190 nan 0.000 0.445 422 E N 0.078 120.219 120.200 -0.098 0.000 2.077 422 E HA -0.172 4.206 4.350 0.046 0.000 0.193 422 E C 2.216 178.781 176.600 -0.058 0.000 0.989 422 E CA 1.575 57.941 56.400 -0.057 0.000 0.800 422 E CB -0.378 29.303 29.700 -0.033 0.000 0.746 422 E HN 0.571 nan 8.360 nan 0.000 0.452 423 A N 0.552 123.316 122.820 -0.093 0.000 2.206 423 A HA -0.057 4.290 4.320 0.046 0.000 0.211 423 A C 0.556 178.048 177.584 -0.154 0.000 1.158 423 A CA 0.164 52.119 52.037 -0.137 0.000 0.761 423 A CB -0.229 18.630 19.000 -0.236 0.000 0.801 423 A HN 0.214 nan 8.150 nan 0.000 0.473 424 R N -0.643 119.786 120.500 -0.118 0.000 3.264 424 R HA -0.150 4.217 4.340 0.046 0.000 0.251 424 R C -0.862 175.299 176.300 -0.231 0.000 0.971 424 R CA 0.655 56.699 56.100 -0.094 0.000 0.658 424 R CB -1.676 28.649 30.300 0.041 0.000 1.095 424 R HN 0.574 nan 8.270 nan 0.000 0.443 425 R N 1.746 122.074 120.500 -0.286 0.000 2.210 425 R HA 0.092 4.460 4.340 0.046 0.000 0.338 425 R C 0.651 176.819 176.300 -0.220 0.000 1.062 425 R CA -0.421 55.436 56.100 -0.405 0.000 0.902 425 R CB 0.520 30.503 30.300 -0.528 0.000 1.050 425 R HN 0.295 nan 8.270 nan 0.000 0.461 426 H N 0.888 119.902 119.070 -0.093 0.000 2.408 426 H HA 0.059 4.643 4.556 0.046 0.000 0.345 426 H C 1.283 176.589 175.328 -0.037 0.000 1.547 426 H CA -0.986 55.036 56.048 -0.043 0.000 1.447 426 H CB 0.323 30.060 29.762 -0.040 0.000 1.686 426 H HN 0.384 nan 8.280 nan 0.000 0.625 427 I N -0.263 120.421 120.570 0.190 0.000 2.113 427 I HA -0.250 3.948 4.170 0.046 0.000 0.242 427 I C 2.058 178.243 176.117 0.113 0.000 1.064 427 I CA 1.354 62.722 61.300 0.112 0.000 1.320 427 I CB -0.820 37.208 38.000 0.046 0.000 1.028 427 I HN 0.657 nan 8.210 nan 0.000 0.406 428 L N 0.821 122.103 121.223 0.099 0.000 2.042 428 L HA -0.150 4.217 4.340 0.046 0.000 0.210 428 L C 2.471 179.416 176.870 0.125 0.000 1.076 428 L CA 2.319 57.201 54.840 0.069 0.000 0.749 428 L CB -1.307 40.719 42.059 -0.056 0.000 0.893 428 L HN 0.334 nan 8.230 nan 0.000 0.432 429 A N -0.191 122.755 122.820 0.209 0.000 1.858 429 A HA -0.181 4.166 4.320 0.046 0.000 0.216 429 A C 2.182 179.701 177.584 -0.108 0.000 1.190 429 A CA 1.908 53.916 52.037 -0.049 0.000 0.617 429 A CB -0.787 18.031 19.000 -0.304 0.000 0.827 429 A HN 0.433 nan 8.150 nan 0.000 0.443 430 I N 0.192 120.715 120.570 -0.078 0.000 2.185 430 I HA -0.289 3.909 4.170 0.046 0.000 0.246 430 I C 2.459 178.657 176.117 0.135 0.000 1.088 430 I CA 1.537 62.838 61.300 0.002 0.000 1.347 430 I CB -1.322 36.771 38.000 0.154 0.000 1.041 430 I HN 0.326 nan 8.210 nan 0.000 0.415 431 L N -0.196 121.099 121.223 0.120 0.000 2.141 431 L HA -0.214 4.154 4.340 0.046 0.000 0.209 431 L C 2.594 179.534 176.870 0.117 0.000 1.094 431 L CA 1.259 56.178 54.840 0.132 0.000 0.763 431 L CB -0.594 41.512 42.059 0.079 0.000 0.908 431 L HN 0.329 nan 8.230 nan 0.000 0.437 432 Q N -0.237 119.603 119.800 0.067 0.000 2.187 432 Q HA -0.141 4.227 4.340 0.046 0.000 0.199 432 Q C 1.202 177.245 176.000 0.071 0.000 0.957 432 Q CA 1.148 56.982 55.803 0.053 0.000 0.857 432 Q CB 0.109 28.857 28.738 0.016 0.000 0.929 432 Q HN 0.437 nan 8.270 nan 0.000 0.453 433 D N -1.127 119.302 120.400 0.050 0.000 2.340 433 D HA -0.033 4.635 4.640 0.046 0.000 0.220 433 D C -0.671 175.752 176.300 0.205 0.000 1.039 433 D CA 0.625 54.677 54.000 0.087 0.000 0.866 433 D CB 0.386 41.176 40.800 -0.015 0.000 0.913 433 D HN 0.110 nan 8.370 nan 0.000 0.523 434 Y N -0.706 119.739 120.300 0.242 0.000 2.592 434 Y HA 0.280 4.858 4.550 0.046 0.000 0.354 434 Y C -1.901 174.067 175.900 0.115 0.000 1.063 434 Y CA -3.217 54.993 58.100 0.183 0.000 1.205 434 Y CB 1.498 40.082 38.460 0.207 0.000 1.106 434 Y HN -0.117 nan 8.280 nan 0.000 0.649 435 P HA -0.161 nan 4.420 nan 0.000 0.219 435 P C 1.506 178.872 177.300 0.109 0.000 1.144 435 P CA 1.737 64.922 63.100 0.142 0.000 0.806 435 P CB 0.537 32.305 31.700 0.113 0.000 0.771 436 S N -0.949 114.813 115.700 0.104 0.000 2.371 436 S HA -0.030 4.467 4.470 0.046 0.000 0.224 436 S C 0.888 175.532 174.600 0.073 0.000 1.029 436 S CA 0.471 58.706 58.200 0.057 0.000 0.978 436 S CB -0.674 62.527 63.200 0.002 0.000 0.833 436 S HN 0.065 nan 8.310 nan 0.000 0.466 437 L N 3.595 124.883 121.223 0.107 0.000 2.742 437 L HA 0.058 4.425 4.340 0.046 0.000 0.275 437 L C 0.237 177.157 176.870 0.083 0.000 1.141 437 L CA 0.983 55.894 54.840 0.119 0.000 0.987 437 L CB -0.598 41.561 42.059 0.166 0.000 1.319 437 L HN 0.198 nan 8.230 nan 0.000 0.478 438 R N 4.348 124.888 120.500 0.068 0.000 2.886 438 R HA 0.312 4.680 4.340 0.046 0.000 0.306 438 R C -2.243 174.012 176.300 -0.075 0.000 1.300 438 R CA -1.393 54.712 56.100 0.009 0.000 1.441 438 R CB 0.669 30.983 30.300 0.024 0.000 1.328 438 R HN 0.380 nan 8.270 nan 0.000 0.629 439 P HA 0.289 nan 4.420 nan 0.000 0.274 439 P C -2.628 174.400 177.300 -0.455 0.000 1.246 439 P CA -1.476 61.233 63.100 -0.653 0.000 0.795 439 P CB 0.304 31.642 31.700 -0.603 0.000 1.006 440 P HA 0.259 nan 4.420 nan 0.000 0.276 440 P C 1.126 178.294 177.300 -0.220 0.000 1.230 440 P CA -0.170 62.777 63.100 -0.254 0.000 0.776 440 P CB 0.467 32.077 31.700 -0.150 0.000 0.888 441 I N 2.316 122.728 120.570 -0.262 0.000 2.454 441 I HA -0.284 3.913 4.170 0.046 0.000 0.254 441 I C 1.161 177.150 176.117 -0.213 0.000 1.156 441 I CA 1.872 62.976 61.300 -0.328 0.000 1.433 441 I CB -0.034 37.601 38.000 -0.609 0.000 1.082 441 I HN 0.410 nan 8.210 nan 0.000 0.432 442 D N -1.525 118.812 120.400 -0.106 0.000 2.149 442 D HA -0.306 4.362 4.640 0.046 0.000 0.201 442 D C 2.146 178.562 176.300 0.195 0.000 0.972 442 D CA 1.338 55.429 54.000 0.152 0.000 0.835 442 D CB -0.537 40.382 40.800 0.198 0.000 0.966 442 D HN 0.487 nan 8.370 nan 0.000 0.476 443 H N -0.865 118.216 119.070 0.017 0.000 2.428 443 H HA 0.005 4.588 4.556 0.046 0.000 0.296 443 H C 1.883 177.243 175.328 0.054 0.000 1.062 443 H CA 0.268 56.350 56.048 0.058 0.000 1.350 443 H CB 0.187 29.980 29.762 0.052 0.000 1.403 443 H HN 0.115 nan 8.280 nan 0.000 0.533 444 L N 0.477 121.728 121.223 0.046 0.000 2.056 444 L HA -0.147 4.220 4.340 0.046 0.000 0.207 444 L C 2.229 179.134 176.870 0.058 0.000 1.078 444 L CA 1.311 56.143 54.840 -0.014 0.000 0.749 444 L CB -0.735 41.286 42.059 -0.064 0.000 0.901 444 L HN 0.385 nan 8.230 nan 0.000 0.433 445 C N -0.532 118.838 119.300 0.117 0.000 2.437 445 C HA -0.085 4.402 4.460 0.046 0.000 0.283 445 C C 2.605 177.753 174.990 0.263 0.000 1.424 445 C CA 0.792 59.930 59.018 0.200 0.000 1.782 445 C CB -1.151 26.796 27.740 0.344 0.000 1.833 445 C HN 0.632 nan 8.230 nan 0.000 0.532 446 E N 0.516 120.839 120.200 0.205 0.000 2.102 446 E HA -0.017 4.360 4.350 0.046 0.000 0.190 446 E C 1.976 178.674 176.600 0.163 0.000 0.971 446 E CA 0.523 57.022 56.400 0.163 0.000 0.821 446 E CB 0.008 29.871 29.700 0.271 0.000 0.777 446 E HN 0.590 nan 8.360 nan 0.000 0.460 447 L N 0.846 122.153 121.223 0.140 0.000 2.156 447 L HA -0.006 4.361 4.340 0.046 0.000 0.208 447 L C 0.670 177.593 176.870 0.089 0.000 1.095 447 L CA -0.085 54.816 54.840 0.101 0.000 0.770 447 L CB -0.076 41.996 42.059 0.021 0.000 0.914 447 L HN 0.146 nan 8.230 nan 0.000 0.439 448 L N 1.541 122.809 121.223 0.076 0.000 2.490 448 L HA 0.096 4.463 4.340 0.046 0.000 0.274 448 L C -1.690 175.217 176.870 0.062 0.000 1.201 448 L CA -1.148 53.727 54.840 0.060 0.000 0.869 448 L CB -0.342 41.736 42.059 0.032 0.000 1.123 448 L HN -0.119 nan 8.230 nan 0.000 0.484 449 P HA 0.151 nan 4.420 nan 0.000 0.274 449 P C -0.735 176.583 177.300 0.031 0.000 1.246 449 P CA -0.652 62.471 63.100 0.038 0.000 0.795 449 P CB 0.657 32.376 31.700 0.032 0.000 1.006 450 R N 0.864 121.383 120.500 0.031 0.000 2.441 450 R HA 0.269 4.636 4.340 0.046 0.000 0.284 450 R C 0.029 176.354 176.300 0.043 0.000 1.070 450 R CA -1.052 55.073 56.100 0.041 0.000 1.047 450 R CB 0.009 30.340 30.300 0.051 0.000 1.016 450 R HN 0.459 nan 8.270 nan 0.000 0.477 451 L N 4.383 125.633 121.223 0.044 0.000 2.500 451 L HA -0.021 4.347 4.340 0.046 0.000 0.272 451 L C 0.186 177.114 176.870 0.096 0.000 1.149 451 L CA 0.648 55.511 54.840 0.040 0.000 0.897 451 L CB 0.348 42.409 42.059 0.003 0.000 1.178 451 L HN 0.366 nan 8.230 nan 0.000 0.473 452 Q N 3.809 123.658 119.800 0.082 0.000 2.222 452 Q HA 0.601 4.968 4.340 0.046 0.000 0.211 452 Q C -0.347 175.698 176.000 0.075 0.000 1.013 452 Q CA -0.366 55.506 55.803 0.115 0.000 0.993 452 Q CB 0.797 29.583 28.738 0.080 0.000 1.151 452 Q HN 0.766 nan 8.270 nan 0.000 0.544 453 A N 0.819 123.626 122.820 -0.022 0.000 2.306 453 A HA 0.599 4.946 4.320 0.046 0.000 0.314 453 A C -0.442 176.895 177.584 -0.413 0.000 1.164 453 A CA -0.504 51.348 52.037 -0.308 0.000 0.822 453 A CB 0.474 19.038 19.000 -0.727 0.000 1.130 453 A HN 0.497 nan 8.150 nan 0.000 0.496 454 R N 0.546 120.816 120.500 -0.383 0.000 2.428 454 R HA 0.508 4.875 4.340 0.046 0.000 0.294 454 R C -1.448 174.420 176.300 -0.720 0.000 1.000 454 R CA -0.021 55.828 56.100 -0.418 0.000 0.960 454 R CB 0.727 30.889 30.300 -0.230 0.000 1.076 454 R HN 0.704 nan 8.270 nan 0.000 0.475 455 Y N 1.665 121.565 120.300 -0.666 0.000 2.352 455 Y HA 0.406 4.984 4.550 0.045 0.000 0.326 455 Y C -0.510 174.753 175.900 -1.062 0.000 1.166 455 Y CA -0.192 57.501 58.100 -0.678 0.000 1.182 455 Y CB 1.090 39.225 38.460 -0.543 0.000 1.216 455 Y HN 0.421 nan 8.280 nan 0.000 0.474 456 Y N -0.494 119.737 120.300 -0.116 0.000 2.433 456 Y HA 0.304 4.884 4.550 0.049 0.000 0.337 456 Y C -0.240 175.618 175.900 -0.069 0.000 1.026 456 Y CA -1.278 56.721 58.100 -0.168 0.000 1.037 456 Y CB 1.934 40.303 38.460 -0.152 0.000 1.245 456 Y HN 0.439 nan 8.280 nan 0.000 0.443 457 S N 4.033 119.749 115.700 0.025 0.000 2.498 457 S HA 0.265 4.762 4.470 0.046 0.000 0.281 457 S C 0.306 174.895 174.600 -0.018 0.000 1.265 457 S CA -0.405 57.803 58.200 0.013 0.000 1.071 457 S CB -0.216 62.946 63.200 -0.062 0.000 0.894 457 S HN 0.431 nan 8.310 nan 0.000 0.491 458 I N 2.608 123.140 120.570 -0.063 0.000 2.775 458 I HA -0.048 4.150 4.170 0.046 0.000 0.290 458 I C 1.034 177.113 176.117 -0.064 0.000 1.203 458 I CA 0.093 61.336 61.300 -0.096 0.000 1.433 458 I CB 0.501 38.398 38.000 -0.170 0.000 1.354 458 I HN 0.730 nan 8.210 nan 0.000 0.579 459 A N 5.399 128.197 122.820 -0.036 0.000 2.610 459 A HA 0.395 4.743 4.320 0.046 0.000 0.286 459 A C 0.317 177.861 177.584 -0.066 0.000 1.306 459 A CA -0.097 51.933 52.037 -0.012 0.000 0.942 459 A CB -0.254 18.808 19.000 0.103 0.000 1.112 459 A HN 0.722 nan 8.150 nan 0.000 0.527 460 S N -1.685 113.949 115.700 -0.111 0.000 2.685 460 S HA 0.729 5.226 4.470 0.046 0.000 0.282 460 S C -0.458 174.185 174.600 0.071 0.000 1.159 460 S CA -0.512 57.580 58.200 -0.179 0.000 0.833 460 S CB 1.437 64.249 63.200 -0.646 0.000 1.151 460 S HN 0.362 nan 8.310 nan 0.000 0.485 461 S N 0.325 116.076 115.700 0.084 0.000 2.472 461 S HA 0.478 4.976 4.470 0.046 0.000 0.303 461 S C 1.156 175.697 174.600 -0.098 0.000 1.099 461 S CA -0.113 58.095 58.200 0.013 0.000 1.077 461 S CB 1.034 64.185 63.200 -0.083 0.000 1.031 461 S HN 1.051 nan 8.310 nan 0.000 0.487 462 S N 4.345 119.808 115.700 -0.396 0.000 2.469 462 S HA -0.027 4.470 4.470 0.046 0.000 0.238 462 S C 1.183 175.483 174.600 -0.501 0.000 0.998 462 S CA 0.662 58.424 58.200 -0.731 0.000 0.957 462 S CB -0.314 62.248 63.200 -1.064 0.000 0.764 462 S HN 0.782 nan 8.310 nan 0.000 0.514 463 K N 0.793 120.856 120.400 -0.562 0.000 2.400 463 K HA 0.159 4.506 4.320 0.046 0.000 0.194 463 K C 1.587 177.716 176.600 -0.785 0.000 1.033 463 K CA 0.887 56.679 56.287 -0.826 0.000 1.021 463 K CB 0.287 31.943 32.500 -1.407 0.000 0.808 463 K HN 0.528 nan 8.250 nan 0.000 0.505 464 V N -3.573 116.032 119.914 -0.514 0.000 3.562 464 V HA 0.191 4.339 4.120 0.046 0.000 0.270 464 V C 0.374 176.128 176.094 -0.566 0.000 1.418 464 V CA -0.087 61.946 62.300 -0.445 0.000 1.033 464 V CB 0.121 31.756 31.823 -0.314 0.000 0.820 464 V HN 0.164 nan 8.190 nan 0.000 0.441 465 H N 1.474 120.469 119.070 -0.125 0.000 2.712 465 H HA 0.334 4.903 4.556 0.021 0.000 0.226 465 H C -2.172 173.160 175.328 0.007 0.000 1.422 465 H CA -0.751 55.277 56.048 -0.033 0.000 1.270 465 H CB 1.248 30.976 29.762 -0.056 0.000 1.891 465 H HN 0.312 nan 8.280 nan 0.000 0.518 466 P HA -0.121 nan 4.420 nan 0.000 0.218 466 P C 0.336 177.684 177.300 0.081 0.000 1.148 466 P CA 1.089 64.152 63.100 -0.061 0.000 0.822 466 P CB 0.387 32.019 31.700 -0.114 0.000 0.784 467 N N -0.684 118.073 118.700 0.095 0.000 2.376 467 N HA 0.190 4.957 4.740 0.046 0.000 0.249 467 N C -0.480 175.092 175.510 0.103 0.000 1.140 467 N CA -0.115 52.983 53.050 0.079 0.000 0.870 467 N CB 0.348 38.861 38.487 0.043 0.000 1.124 467 N HN -0.049 nan 8.380 nan 0.000 0.505 468 S N -0.017 115.788 115.700 0.174 0.000 2.543 468 S HA 0.378 4.876 4.470 0.046 0.000 0.273 468 S C -1.523 173.115 174.600 0.064 0.000 1.152 468 S CA -0.534 57.744 58.200 0.130 0.000 0.910 468 S CB 1.092 64.412 63.200 0.200 0.000 1.105 468 S HN -0.151 nan 8.310 nan 0.000 0.465 469 V N 5.756 125.633 119.914 -0.062 0.000 2.378 469 V HA 0.468 4.615 4.120 0.046 0.000 0.288 469 V C -0.355 175.708 176.094 -0.053 0.000 1.016 469 V CA -0.563 61.584 62.300 -0.256 0.000 0.840 469 V CB 1.228 32.837 31.823 -0.357 0.000 0.994 469 V HN 0.912 nan 8.190 nan 0.000 0.431 470 H N 5.120 124.025 119.070 -0.274 0.000 2.467 470 H HA 0.591 5.170 4.556 0.038 0.000 0.331 470 H C -0.695 174.501 175.328 -0.220 0.000 1.120 470 H CA -0.656 55.231 56.048 -0.268 0.000 1.270 470 H CB 2.053 31.712 29.762 -0.173 0.000 1.466 470 H HN 0.439 nan 8.280 nan 0.000 0.504 471 I N 2.370 122.845 120.570 -0.159 0.000 2.509 471 I HA 0.152 4.350 4.170 0.046 0.000 0.293 471 I C -0.569 175.508 176.117 -0.066 0.000 1.020 471 I CA -0.634 60.579 61.300 -0.145 0.000 1.088 471 I CB 1.929 39.741 38.000 -0.312 0.000 1.267 471 I HN 0.533 nan 8.210 nan 0.000 0.430 472 C N 6.469 125.801 119.300 0.053 0.000 2.319 472 C HA 0.934 5.422 4.460 0.046 0.000 0.323 472 C C -0.110 174.943 174.990 0.106 0.000 1.277 472 C CA -0.003 59.110 59.018 0.158 0.000 1.517 472 C CB -0.107 27.817 27.740 0.307 0.000 2.206 472 C HN 0.893 nan 8.230 nan 0.000 0.486 473 A N 4.417 127.278 122.820 0.070 0.000 2.594 473 A HA 0.720 5.068 4.320 0.046 0.000 0.295 473 A C -1.315 176.344 177.584 0.125 0.000 1.071 473 A CA -0.400 51.701 52.037 0.106 0.000 0.685 473 A CB 1.395 20.387 19.000 -0.015 0.000 1.285 473 A HN 1.615 nan 8.150 nan 0.000 0.405 474 V N 1.694 121.713 119.914 0.175 0.000 2.394 474 V HA 0.672 4.820 4.120 0.046 0.000 0.282 474 V C 0.578 176.775 176.094 0.172 0.000 1.031 474 V CA 0.047 62.447 62.300 0.167 0.000 0.881 474 V CB 0.983 32.907 31.823 0.169 0.000 0.982 474 V HN 1.835 nan 8.190 nan 0.000 0.451 475 A N 6.963 129.888 122.820 0.175 0.000 2.444 475 A HA 0.505 4.852 4.320 0.046 0.000 0.273 475 A C 0.020 177.689 177.584 0.142 0.000 1.136 475 A CA -0.089 52.032 52.037 0.141 0.000 0.799 475 A CB -0.027 19.030 19.000 0.095 0.000 1.081 475 A HN 1.003 nan 8.150 nan 0.000 0.509 476 V N 3.258 123.264 119.914 0.153 0.000 2.637 476 V HA 0.390 4.537 4.120 0.046 0.000 0.296 476 V C 0.429 176.631 176.094 0.181 0.000 1.046 476 V CA 0.361 62.775 62.300 0.189 0.000 1.066 476 V CB 0.824 32.774 31.823 0.212 0.000 0.968 476 V HN 1.009 nan 8.190 nan 0.000 0.483 477 E N 4.482 124.827 120.200 0.242 0.000 2.748 477 E HA 0.420 4.798 4.350 0.046 0.000 0.320 477 E C -2.033 174.689 176.600 0.202 0.000 0.996 477 E CA -0.587 55.883 56.400 0.117 0.000 0.835 477 E CB 1.469 31.197 29.700 0.046 0.000 1.265 477 E HN 0.665 nan 8.360 nan 0.000 0.420 478 Y N 0.770 121.079 120.300 0.015 0.000 2.725 478 Y HA 0.572 5.149 4.550 0.045 0.000 0.333 478 Y C -1.376 174.520 175.900 -0.005 0.000 1.242 478 Y CA -1.238 56.867 58.100 0.008 0.000 1.059 478 Y CB 0.926 39.391 38.460 0.009 0.000 1.306 478 Y HN 0.370 nan 8.280 nan 0.000 0.454 479 E N 1.514 121.757 120.200 0.072 0.000 2.151 479 E HA 0.730 5.108 4.350 0.046 0.000 0.275 479 E C -0.941 175.713 176.600 0.090 0.000 0.936 479 E CA -0.838 55.552 56.400 -0.017 0.000 0.777 479 E CB 1.350 31.052 29.700 0.005 0.000 1.108 479 E HN 0.942 nan 8.360 nan 0.000 0.401 480 A N 4.108 126.927 122.820 -0.001 0.000 2.256 480 A HA 0.293 4.641 4.320 0.046 0.000 0.318 480 A C 0.681 178.257 177.584 -0.013 0.000 1.103 480 A CA -0.542 51.533 52.037 0.064 0.000 0.860 480 A CB 0.789 19.801 19.000 0.019 0.000 1.182 480 A HN 0.744 nan 8.150 nan 0.000 0.501 481 K N 0.612 121.000 120.400 -0.020 0.000 2.515 481 K HA -0.076 4.272 4.320 0.046 0.000 0.196 481 K C 1.721 178.260 176.600 -0.102 0.000 1.038 481 K CA 1.320 57.580 56.287 -0.046 0.000 0.967 481 K CB -0.165 32.313 32.500 -0.037 0.000 0.780 481 K HN 0.777 nan 8.250 nan 0.000 0.483 482 S N -0.527 115.081 115.700 -0.154 0.000 2.522 482 S HA 0.037 4.535 4.470 0.046 0.000 0.227 482 S C 1.527 176.021 174.600 -0.176 0.000 0.986 482 S CA 0.658 58.716 58.200 -0.237 0.000 0.929 482 S CB -0.036 62.972 63.200 -0.320 0.000 0.769 482 S HN 0.410 nan 8.310 nan 0.000 0.529 483 G N 0.851 109.579 108.800 -0.120 0.000 2.176 483 G HA2 -0.254 3.734 3.960 0.046 0.000 0.253 483 G HA3 -0.254 3.734 3.960 0.046 0.000 0.253 483 G C 0.093 174.937 174.900 -0.094 0.000 0.979 483 G CA -0.013 45.034 45.100 -0.088 0.000 0.641 483 G HN 0.600 nan 8.290 nan 0.000 0.530 484 R N -0.534 119.888 120.500 -0.131 0.000 2.664 484 R HA 0.605 4.972 4.340 0.046 0.000 0.286 484 R C -0.030 176.174 176.300 -0.159 0.000 0.967 484 R CA -0.777 55.244 56.100 -0.131 0.000 0.933 484 R CB 2.242 32.451 30.300 -0.151 0.000 1.146 484 R HN 0.060 nan 8.270 nan 0.000 0.468 485 V N 3.152 122.982 119.914 -0.140 0.000 2.405 485 V HA 0.099 4.247 4.120 0.046 0.000 0.264 485 V C 0.134 176.083 176.094 -0.241 0.000 1.048 485 V CA -0.201 61.984 62.300 -0.191 0.000 0.966 485 V CB 0.298 32.046 31.823 -0.125 0.000 1.015 485 V HN 0.732 nan 8.190 nan 0.000 0.477 486 N N 4.625 123.052 118.700 -0.456 0.000 2.509 486 N HA 0.520 5.288 4.740 0.046 0.000 0.287 486 N C -0.690 174.587 175.510 -0.389 0.000 1.121 486 N CA -0.789 52.011 53.050 -0.417 0.000 0.977 486 N CB 1.539 39.696 38.487 -0.549 0.000 1.167 486 N HN 0.577 nan 8.380 nan 0.000 0.476 487 K N 0.245 120.556 120.400 -0.149 0.000 2.371 487 K HA 0.343 4.691 4.320 0.046 0.000 0.251 487 K C -0.300 176.321 176.600 0.033 0.000 0.934 487 K CA -0.904 55.350 56.287 -0.055 0.000 0.798 487 K CB 2.120 34.596 32.500 -0.041 0.000 1.204 487 K HN 0.527 nan 8.250 nan 0.000 0.427 488 G N 1.029 109.883 108.800 0.090 0.000 2.380 488 G HA2 0.111 4.099 3.960 0.046 0.000 0.242 488 G HA3 0.111 4.099 3.960 0.046 0.000 0.242 488 G C 1.038 175.988 174.900 0.084 0.000 1.298 488 G CA -0.504 44.666 45.100 0.117 0.000 0.878 488 G HN 0.343 nan 8.290 nan 0.000 0.542 489 V N 3.463 123.417 119.914 0.066 0.000 2.216 489 V HA -0.242 3.906 4.120 0.046 0.000 0.243 489 V C 3.184 179.323 176.094 0.074 0.000 1.044 489 V CA 2.599 64.915 62.300 0.026 0.000 0.995 489 V CB -1.236 30.574 31.823 -0.021 0.000 0.633 489 V HN 0.845 nan 8.190 nan 0.000 0.446 490 A N 0.776 123.665 122.820 0.114 0.000 1.873 490 A HA -0.212 4.136 4.320 0.046 0.000 0.215 490 A C 2.500 180.265 177.584 0.302 0.000 1.186 490 A CA 2.651 54.837 52.037 0.248 0.000 0.616 490 A CB -1.162 17.999 19.000 0.269 0.000 0.823 490 A HN 0.676 nan 8.150 nan 0.000 0.442 491 T N -2.537 112.141 114.554 0.206 0.000 2.788 491 T HA -0.130 4.248 4.350 0.046 0.000 0.268 491 T C 1.994 176.744 174.700 0.084 0.000 1.044 491 T CA 1.981 64.159 62.100 0.130 0.000 1.139 491 T CB -0.619 68.330 68.868 0.136 0.000 0.867 491 T HN 0.278 nan 8.240 nan 0.000 0.454 492 S N 0.240 115.999 115.700 0.099 0.000 2.368 492 S HA -0.011 4.486 4.470 0.046 0.000 0.224 492 S C 1.418 176.072 174.600 0.089 0.000 1.029 492 S CA 0.972 59.205 58.200 0.053 0.000 0.988 492 S CB -0.632 62.598 63.200 0.049 0.000 0.838 492 S HN 0.746 nan 8.310 nan 0.000 0.462 493 W N 2.555 123.821 121.300 -0.057 0.000 2.332 493 W HA -0.090 4.602 4.660 0.053 0.000 0.321 493 W C 1.742 178.219 176.519 -0.070 0.000 1.219 493 W CA 1.167 58.475 57.345 -0.062 0.000 1.277 493 W CB -0.817 28.613 29.460 -0.050 0.000 1.161 493 W HN 0.178 nan 8.180 nan 0.000 0.476 494 L N 0.364 121.537 121.223 -0.083 0.000 2.079 494 L HA -0.229 4.138 4.340 0.046 0.000 0.210 494 L C 2.803 179.528 176.870 -0.241 0.000 1.081 494 L CA 1.880 56.527 54.840 -0.321 0.000 0.752 494 L CB -0.979 40.953 42.059 -0.213 0.000 0.896 494 L HN 0.040 nan 8.230 nan 0.000 0.433 495 R N 0.426 120.845 120.500 -0.135 0.000 2.091 495 R HA -0.209 4.158 4.340 0.046 0.000 0.238 495 R C 2.183 178.393 176.300 -0.151 0.000 1.136 495 R CA 1.700 57.720 56.100 -0.134 0.000 0.959 495 R CB -0.225 29.980 30.300 -0.159 0.000 0.856 495 R HN 0.356 nan 8.270 nan 0.000 0.437 496 A N 0.837 123.565 122.820 -0.153 0.000 2.119 496 A HA 0.024 4.372 4.320 0.046 0.000 0.216 496 A C 0.456 177.931 177.584 -0.181 0.000 1.152 496 A CA 0.330 52.282 52.037 -0.141 0.000 0.708 496 A CB 0.025 18.966 19.000 -0.098 0.000 0.805 496 A HN 0.066 nan 8.150 nan 0.000 0.460 497 K N 2.269 122.501 120.400 -0.279 0.000 2.160 497 K HA -0.021 4.327 4.320 0.046 0.000 0.263 497 K C -0.020 176.458 176.600 -0.202 0.000 1.120 497 K CA 0.254 56.357 56.287 -0.306 0.000 1.115 497 K CB -0.343 31.883 32.500 -0.457 0.000 0.971 497 K HN 0.652 nan 8.250 nan 0.000 0.400 498 E N 5.363 125.474 120.200 -0.149 0.000 2.290 498 E HA 0.076 4.454 4.350 0.046 0.000 0.277 498 E C -1.747 174.792 176.600 -0.102 0.000 1.035 498 E CA -1.528 54.808 56.400 -0.106 0.000 0.873 498 E CB 0.701 30.354 29.700 -0.079 0.000 1.029 498 E HN 0.270 nan 8.360 nan 0.000 0.419 508 L N 0.687 121.846 121.223 -0.106 0.000 2.375 508 L HA 0.772 5.140 4.340 0.046 0.000 0.268 508 L C -0.031 176.776 176.870 -0.105 0.000 1.058 508 L CA -0.664 54.108 54.840 -0.112 0.000 0.803 508 L CB 1.502 43.485 42.059 -0.126 0.000 1.212 508 L HN 0.356 nan 8.230 nan 0.000 0.451 509 V N 2.306 122.172 119.914 -0.081 0.000 2.524 509 V HA 0.294 4.442 4.120 0.046 0.000 0.297 509 V C -2.382 173.780 176.094 0.114 0.000 1.035 509 V CA -1.440 60.873 62.300 0.021 0.000 0.867 509 V CB 2.157 33.897 31.823 -0.138 0.000 1.004 509 V HN 0.606 nan 8.190 nan 0.000 0.426 510 P HA 0.402 nan 4.420 nan 0.000 0.275 510 P C -0.721 176.767 177.300 0.314 0.000 1.276 510 P CA -0.170 63.041 63.100 0.185 0.000 0.782 510 P CB 0.471 32.312 31.700 0.236 0.000 0.851 511 M N 3.332 123.093 119.600 0.269 0.000 2.664 511 M HA 0.822 5.329 4.480 0.046 0.000 0.279 511 M C -1.073 175.437 176.300 0.349 0.000 1.275 511 M CA -1.276 54.145 55.300 0.202 0.000 0.829 511 M CB 1.275 33.909 32.600 0.057 0.000 1.727 511 M HN 0.146 nan 8.290 nan 0.000 0.459 512 F N -1.661 118.328 119.950 0.065 0.000 2.824 512 F HA 1.007 5.562 4.527 0.047 0.000 0.330 512 F C -1.648 174.192 175.800 0.067 0.000 1.175 512 F CA -1.500 56.564 58.000 0.107 0.000 0.974 512 F CB 0.975 40.066 39.000 0.151 0.000 1.430 512 F HN 0.489 nan 8.300 nan 0.000 0.507 513 V N 1.100 121.193 119.914 0.298 0.000 2.686 513 V HA 0.625 4.772 4.120 0.046 0.000 0.306 513 V C -1.149 175.106 176.094 0.268 0.000 1.065 513 V CA -0.914 61.479 62.300 0.154 0.000 0.894 513 V CB 2.116 34.020 31.823 0.134 0.000 1.004 513 V HN 0.917 nan 8.190 nan 0.000 0.424 514 R N 2.853 123.489 120.500 0.225 0.000 2.513 514 R HA 0.657 5.024 4.340 0.046 0.000 0.301 514 R C -0.798 175.613 176.300 0.185 0.000 0.968 514 R CA -0.986 55.263 56.100 0.247 0.000 0.872 514 R CB 1.647 32.128 30.300 0.302 0.000 1.177 514 R HN 0.345 nan 8.270 nan 0.000 0.444 515 K N 1.907 122.399 120.400 0.154 0.000 2.414 515 K HA 0.105 4.452 4.320 0.046 0.000 0.272 515 K C 0.119 176.793 176.600 0.124 0.000 0.993 515 K CA 0.176 56.535 56.287 0.121 0.000 0.964 515 K CB 1.136 33.701 32.500 0.108 0.000 0.925 515 K HN 0.955 nan 8.250 nan 0.000 0.487 516 S N 0.632 116.396 115.700 0.106 0.000 2.900 516 S HA 0.300 4.797 4.470 0.046 0.000 0.320 516 S C 0.485 175.173 174.600 0.147 0.000 1.130 516 S CA -0.788 57.494 58.200 0.135 0.000 0.863 516 S CB 1.396 64.657 63.200 0.102 0.000 1.295 516 S HN 0.533 nan 8.310 nan 0.000 0.596 517 Q N -0.903 119.015 119.800 0.196 0.000 2.247 517 Q HA 0.341 4.709 4.340 0.046 0.000 0.211 517 Q C -0.968 175.202 176.000 0.282 0.000 0.861 517 Q CA -0.140 55.781 55.803 0.197 0.000 0.949 517 Q CB 0.227 29.069 28.738 0.174 0.000 1.115 517 Q HN 0.597 nan 8.270 nan 0.000 0.507 518 F N 2.840 122.881 119.950 0.152 0.000 2.512 518 F HA 0.125 4.678 4.527 0.044 0.000 0.350 518 F C 0.011 175.961 175.800 0.250 0.000 1.212 518 F CA 0.181 58.336 58.000 0.258 0.000 1.099 518 F CB 0.026 39.136 39.000 0.183 0.000 1.238 518 F HN -0.201 nan 8.300 nan 0.000 0.600 519 R N 4.503 125.075 120.500 0.121 0.000 2.774 519 R HA 0.448 4.816 4.340 0.046 0.000 0.272 519 R C -0.944 175.121 176.300 -0.392 0.000 1.000 519 R CA -1.112 54.903 56.100 -0.142 0.000 0.906 519 R CB 1.813 32.017 30.300 -0.160 0.000 1.227 519 R HN 0.534 nan 8.270 nan 0.000 0.468 520 L N 3.444 124.201 121.223 -0.777 0.000 2.464 520 L HA 0.288 4.656 4.340 0.046 0.000 0.264 520 L C -1.434 175.089 176.870 -0.577 0.000 1.199 520 L CA -1.380 52.980 54.840 -0.800 0.000 0.818 520 L CB 0.453 42.008 42.059 -0.841 0.000 1.102 520 L HN 0.318 nan 8.230 nan 0.000 0.473 521 P HA 0.035 nan 4.420 nan 0.000 0.272 521 P C 0.185 177.204 177.300 -0.470 0.000 1.240 521 P CA -0.124 62.638 63.100 -0.562 0.000 0.791 521 P CB 0.537 31.871 31.700 -0.610 0.000 0.978 522 F N -0.339 119.522 119.950 -0.147 0.000 2.128 522 F HA 0.031 4.586 4.527 0.047 0.000 0.295 522 F C 1.563 177.313 175.800 -0.084 0.000 1.100 522 F CA 1.300 59.243 58.000 -0.094 0.000 1.260 522 F CB -0.589 38.374 39.000 -0.061 0.000 1.009 522 F HN 0.059 nan 8.300 nan 0.000 0.476 523 K N 1.460 121.920 120.400 0.102 0.000 2.338 523 K HA 0.076 4.423 4.320 0.046 0.000 0.290 523 K C 1.297 177.880 176.600 -0.028 0.000 1.069 523 K CA 0.356 56.662 56.287 0.033 0.000 0.941 523 K CB 0.913 33.428 32.500 0.024 0.000 1.023 523 K HN 0.138 nan 8.250 nan 0.000 0.477 524 S N 1.085 116.772 115.700 -0.023 0.000 2.440 524 S HA -0.185 4.313 4.470 0.046 0.000 0.238 524 S C 1.815 176.391 174.600 -0.040 0.000 1.010 524 S CA 1.750 59.925 58.200 -0.041 0.000 0.972 524 S CB -0.576 62.609 63.200 -0.025 0.000 0.774 524 S HN 0.742 nan 8.310 nan 0.000 0.501 525 T N -1.043 113.494 114.554 -0.028 0.000 3.072 525 T HA 0.046 4.424 4.350 0.046 0.000 0.266 525 T C 0.672 175.357 174.700 -0.025 0.000 1.127 525 T CA 0.599 62.686 62.100 -0.022 0.000 1.107 525 T CB -0.957 67.903 68.868 -0.014 0.000 0.910 525 T HN 0.353 nan 8.240 nan 0.000 0.513 526 T N 5.521 120.049 114.554 -0.044 0.000 2.799 526 T HA 0.317 4.694 4.350 0.046 0.000 0.296 526 T C -2.375 172.300 174.700 -0.041 0.000 0.947 526 T CA -1.072 60.998 62.100 -0.050 0.000 1.141 526 T CB 0.995 69.795 68.868 -0.114 0.000 0.891 526 T HN 0.301 nan 8.240 nan 0.000 0.533 527 P HA 0.338 nan 4.420 nan 0.000 0.278 527 P C -0.755 176.571 177.300 0.043 0.000 1.238 527 P CA -0.488 62.618 63.100 0.011 0.000 0.794 527 P CB 0.946 32.650 31.700 0.008 0.000 0.955 528 V N 0.538 120.494 119.914 0.070 0.000 2.656 528 V HA 0.599 4.747 4.120 0.046 0.000 0.307 528 V C -0.466 175.718 176.094 0.149 0.000 1.051 528 V CA -0.956 61.442 62.300 0.164 0.000 0.893 528 V CB 1.815 33.770 31.823 0.220 0.000 0.999 528 V HN 0.307 nan 8.190 nan 0.000 0.426 529 I N 5.233 125.908 120.570 0.176 0.000 2.371 529 I HA 0.465 4.662 4.170 0.046 0.000 0.282 529 I C -0.176 176.033 176.117 0.154 0.000 1.031 529 I CA -0.273 61.125 61.300 0.164 0.000 1.180 529 I CB 1.463 39.538 38.000 0.124 0.000 1.336 529 I HN 0.541 nan 8.210 nan 0.000 0.467 530 M N 6.354 125.961 119.600 0.012 0.000 2.113 530 M HA 0.382 4.890 4.480 0.046 0.000 0.352 530 M C -0.639 175.468 176.300 -0.321 0.000 1.170 530 M CA -0.598 54.466 55.300 -0.394 0.000 1.053 530 M CB 1.774 33.779 32.600 -0.992 0.000 1.601 530 M HN 0.223 nan 8.290 nan 0.000 0.459 531 V N 3.021 122.820 119.914 -0.191 0.000 2.257 531 V HA 0.534 4.682 4.120 0.046 0.000 0.269 531 V C 0.407 176.568 176.094 0.112 0.000 1.040 531 V CA -0.560 61.752 62.300 0.019 0.000 0.813 531 V CB 0.860 32.734 31.823 0.086 0.000 1.065 531 V HN 1.025 nan 8.190 nan 0.000 0.457 532 G N 5.705 114.586 108.800 0.134 0.000 3.749 532 G HA2 0.528 4.516 3.960 0.046 0.000 0.339 532 G HA3 0.528 4.516 3.960 0.046 0.000 0.339 532 G C -2.861 172.229 174.900 0.316 0.000 1.513 532 G CA -1.229 44.109 45.100 0.397 0.000 1.035 532 G HN 0.429 nan 8.290 nan 0.000 0.480 533 P HA 0.447 nan 4.420 nan 0.000 0.286 533 P C 0.959 178.287 177.300 0.046 0.000 1.269 533 P CA 0.848 63.950 63.100 0.003 0.000 0.787 533 P CB 2.039 33.652 31.700 -0.146 0.000 0.920 534 G N 3.577 112.435 108.800 0.097 0.000 2.498 534 G HA2 -0.278 3.710 3.960 0.046 0.000 0.251 534 G HA3 -0.278 3.710 3.960 0.046 0.000 0.251 534 G C 0.856 175.922 174.900 0.276 0.000 1.170 534 G CA 0.411 45.599 45.100 0.147 0.000 0.944 534 G HN 0.618 nan 8.290 nan 0.000 0.567 535 T N -0.631 114.065 114.554 0.237 0.000 3.163 535 T HA 0.339 4.716 4.350 0.046 0.000 0.260 535 T C 2.114 177.034 174.700 0.366 0.000 1.156 535 T CA 1.453 63.742 62.100 0.315 0.000 1.072 535 T CB -0.037 69.051 68.868 0.366 0.000 0.937 535 T HN 1.803 nan 8.240 nan 0.000 0.528 536 G N 0.951 109.911 108.800 0.267 0.000 2.956 536 G HA2 0.141 4.129 3.960 0.046 0.000 0.207 536 G HA3 0.141 4.129 3.960 0.046 0.000 0.207 536 G C 1.102 176.182 174.900 0.300 0.000 1.162 536 G CA -0.209 45.031 45.100 0.234 0.000 0.796 536 G HN 0.616 nan 8.290 nan 0.000 0.527 537 I N 0.058 120.828 120.570 0.332 0.000 3.578 537 I HA 0.179 4.376 4.170 0.046 0.000 0.295 537 I C 2.629 178.842 176.117 0.160 0.000 1.280 537 I CA 0.477 61.985 61.300 0.346 0.000 1.347 537 I CB 0.116 38.234 38.000 0.197 0.000 1.051 537 I HN 0.212 nan 8.210 nan 0.000 0.460 538 A N 3.120 126.020 122.820 0.134 0.000 1.852 538 A HA -0.183 4.165 4.320 0.046 0.000 0.217 538 A C -0.052 177.452 177.584 -0.133 0.000 1.215 538 A CA 2.317 54.394 52.037 0.067 0.000 0.641 538 A CB -2.318 16.752 19.000 0.116 0.000 0.838 538 A HN 0.374 nan 8.150 nan 0.000 0.450 539 P HA -0.133 nan 4.420 nan 0.000 0.221 539 P C 0.951 177.826 177.300 -0.708 0.000 1.145 539 P CA 1.055 63.850 63.100 -0.509 0.000 0.795 539 P CB -0.260 31.079 31.700 -0.601 0.000 0.775 540 F N -0.760 118.987 119.950 -0.338 0.000 2.407 540 F HA 0.004 4.557 4.527 0.044 0.000 0.299 540 F C 2.468 178.131 175.800 -0.230 0.000 1.097 540 F CA 0.749 58.535 58.000 -0.357 0.000 1.422 540 F CB -1.211 37.661 39.000 -0.213 0.000 1.067 540 F HN -0.185 nan 8.300 nan 0.000 0.539 541 M N -0.135 119.409 119.600 -0.094 0.000 2.296 541 M HA 0.022 4.530 4.480 0.046 0.000 0.265 541 M C 2.504 178.737 176.300 -0.113 0.000 1.064 541 M CA 1.207 56.401 55.300 -0.178 0.000 1.109 541 M CB -2.005 30.393 32.600 -0.338 0.000 1.396 541 M HN 0.208 nan 8.290 nan 0.000 0.430 542 G N -0.359 108.409 108.800 -0.054 0.000 2.404 542 G HA2 -0.169 3.819 3.960 0.046 0.000 0.214 542 G HA3 -0.169 3.819 3.960 0.046 0.000 0.214 542 G C 1.278 176.274 174.900 0.159 0.000 1.189 542 G CA 0.215 45.345 45.100 0.050 0.000 0.789 542 G HN 0.253 nan 8.290 nan 0.000 0.533 543 F N 1.198 121.078 119.950 -0.116 0.000 2.161 543 F HA 0.034 4.587 4.527 0.043 0.000 0.300 543 F C 2.631 178.325 175.800 -0.177 0.000 1.089 543 F CA 0.147 58.060 58.000 -0.146 0.000 1.282 543 F CB -0.724 38.196 39.000 -0.134 0.000 1.010 543 F HN 0.090 nan 8.300 nan 0.000 0.485 544 I N -0.661 119.881 120.570 -0.046 0.000 2.353 544 I HA -0.266 3.932 4.170 0.046 0.000 0.248 544 I C 2.314 178.156 176.117 -0.458 0.000 1.119 544 I CA 0.992 62.083 61.300 -0.348 0.000 1.417 544 I CB -0.581 37.053 38.000 -0.610 0.000 1.078 544 I HN 0.136 nan 8.210 nan 0.000 0.421 545 Q N 0.473 120.098 119.800 -0.292 0.000 2.050 545 Q HA -0.263 4.104 4.340 0.046 0.000 0.202 545 Q C 2.167 178.208 176.000 0.069 0.000 0.980 545 Q CA 1.701 57.492 55.803 -0.020 0.000 0.840 545 Q CB -0.136 28.661 28.738 0.099 0.000 0.898 545 Q HN 0.476 nan 8.270 nan 0.000 0.424 546 E N 0.242 120.450 120.200 0.013 0.000 2.150 546 E HA -0.154 4.224 4.350 0.046 0.000 0.193 546 E C 2.028 178.708 176.600 0.133 0.000 0.985 546 E CA 0.458 56.885 56.400 0.046 0.000 0.814 546 E CB 0.263 29.919 29.700 -0.074 0.000 0.752 546 E HN 0.101 nan 8.360 nan 0.000 0.466 547 R N -0.185 120.331 120.500 0.027 0.000 2.115 547 R HA -0.040 4.328 4.340 0.046 0.000 0.230 547 R C 2.063 178.399 176.300 0.061 0.000 1.111 547 R CA 1.079 57.187 56.100 0.013 0.000 0.976 547 R CB -0.309 29.963 30.300 -0.047 0.000 0.870 547 R HN 0.194 nan 8.270 nan 0.000 0.445 548 A N -0.628 122.251 122.820 0.098 0.000 1.930 548 A HA -0.142 4.206 4.320 0.046 0.000 0.215 548 A C 1.941 179.627 177.584 0.169 0.000 1.176 548 A CA 0.659 52.792 52.037 0.160 0.000 0.632 548 A CB -0.705 18.481 19.000 0.310 0.000 0.819 548 A HN 0.513 nan 8.150 nan 0.000 0.445 549 W N 0.979 122.293 121.300 0.023 0.000 2.338 549 W HA -0.167 4.518 4.660 0.041 0.000 0.304 549 W C 1.546 178.056 176.519 -0.015 0.000 1.212 549 W CA 1.921 59.267 57.345 0.002 0.000 1.264 549 W CB -0.244 29.205 29.460 -0.018 0.000 1.142 549 W HN 0.240 nan 8.180 nan 0.000 0.512 550 L N 0.470 121.716 121.223 0.038 0.000 2.191 550 L HA -0.154 4.213 4.340 0.046 0.000 0.212 550 L C 2.495 179.240 176.870 -0.208 0.000 1.103 550 L CA 1.340 56.075 54.840 -0.175 0.000 0.769 550 L CB -0.788 41.278 42.059 0.011 0.000 0.908 550 L HN -0.029 nan 8.230 nan 0.000 0.438 551 R N 0.025 120.459 120.500 -0.111 0.000 2.189 551 R HA -0.099 4.269 4.340 0.046 0.000 0.218 551 R C 1.932 178.153 176.300 -0.131 0.000 1.074 551 R CA 0.793 56.841 56.100 -0.088 0.000 0.991 551 R CB -0.093 30.195 30.300 -0.020 0.000 0.883 551 R HN 0.472 nan 8.270 nan 0.000 0.457 552 E N 0.411 120.490 120.200 -0.202 0.000 2.158 552 E HA -0.102 4.275 4.350 0.046 0.000 0.191 552 E C 1.532 177.959 176.600 -0.287 0.000 0.982 552 E CA 0.519 56.788 56.400 -0.219 0.000 0.823 552 E CB 0.205 29.758 29.700 -0.245 0.000 0.766 552 E HN 0.190 nan 8.360 nan 0.000 0.468 553 Q N -0.416 119.131 119.800 -0.421 0.000 2.482 553 Q HA 0.042 4.409 4.340 0.046 0.000 0.209 553 Q C 1.302 177.167 176.000 -0.226 0.000 0.961 553 Q CA 0.850 56.421 55.803 -0.386 0.000 0.945 553 Q CB 0.797 29.198 28.738 -0.561 0.000 1.012 553 Q HN 0.453 nan 8.270 nan 0.000 0.515 554 G N 1.167 109.861 108.800 -0.178 0.000 2.212 554 G HA2 -0.321 3.667 3.960 0.046 0.000 0.266 554 G HA3 -0.321 3.667 3.960 0.046 0.000 0.266 554 G C 0.141 174.982 174.900 -0.097 0.000 0.978 554 G CA 0.399 45.431 45.100 -0.115 0.000 0.632 554 G HN 0.344 nan 8.290 nan 0.000 0.537 555 K N 0.846 121.175 120.400 -0.119 0.000 2.380 555 K HA 0.240 4.588 4.320 0.046 0.000 0.267 555 K C 0.410 176.974 176.600 -0.060 0.000 0.990 555 K CA -0.014 56.222 56.287 -0.086 0.000 0.946 555 K CB 0.684 33.127 32.500 -0.094 0.000 0.937 555 K HN 0.373 nan 8.250 nan 0.000 0.491 556 E N 2.674 122.848 120.200 -0.042 0.000 1.932 556 E HA 0.066 4.444 4.350 0.046 0.000 0.275 556 E C -0.955 175.630 176.600 -0.024 0.000 1.159 556 E CA -0.395 55.988 56.400 -0.029 0.000 0.905 556 E CB 0.472 30.159 29.700 -0.022 0.000 1.059 556 E HN 0.192 nan 8.360 nan 0.000 0.400 557 V N 3.838 123.738 119.914 -0.022 0.000 2.607 557 V HA 0.332 4.480 4.120 0.046 0.000 0.289 557 V C 1.085 177.174 176.094 -0.008 0.000 1.053 557 V CA -0.155 62.134 62.300 -0.018 0.000 0.996 557 V CB 1.515 33.330 31.823 -0.014 0.000 0.995 557 V HN 0.745 nan 8.190 nan 0.000 0.476 558 G N 2.789 111.582 108.800 -0.011 0.000 2.543 558 G HA2 0.347 4.334 3.960 0.046 0.000 0.290 558 G HA3 0.347 4.334 3.960 0.046 0.000 0.290 558 G C -0.223 174.685 174.900 0.014 0.000 1.310 558 G CA -0.605 44.495 45.100 0.001 0.000 1.025 558 G HN 0.711 nan 8.290 nan 0.000 0.502 559 E N -0.252 119.966 120.200 0.031 0.000 2.465 559 E HA 0.149 4.526 4.350 0.046 0.000 0.260 559 E C -0.398 176.225 176.600 0.039 0.000 0.980 559 E CA 0.746 57.177 56.400 0.051 0.000 0.927 559 E CB 0.412 30.165 29.700 0.089 0.000 0.934 559 E HN 0.209 nan 8.360 nan 0.000 0.459 560 T N 4.412 118.985 114.554 0.032 0.000 2.912 560 T HA 0.347 4.725 4.350 0.046 0.000 0.326 560 T C -0.679 174.016 174.700 -0.007 0.000 1.080 560 T CA -0.698 61.409 62.100 0.011 0.000 1.000 560 T CB 0.154 69.017 68.868 -0.008 0.000 1.008 560 T HN 0.127 nan 8.240 nan 0.000 0.473 561 L N 3.699 124.918 121.223 -0.007 0.000 2.287 561 L HA 0.588 4.956 4.340 0.046 0.000 0.287 561 L C -0.439 176.339 176.870 -0.154 0.000 1.022 561 L CA -0.729 54.063 54.840 -0.079 0.000 0.814 561 L CB 1.331 43.393 42.059 0.005 0.000 1.217 561 L HN 0.466 nan 8.230 nan 0.000 0.420 562 L N 4.249 125.319 121.223 -0.256 0.000 2.276 562 L HA 0.435 4.803 4.340 0.046 0.000 0.286 562 L C -1.223 175.454 176.870 -0.321 0.000 1.024 562 L CA 0.034 54.724 54.840 -0.249 0.000 0.826 562 L CB 0.362 42.318 42.059 -0.172 0.000 1.211 562 L HN 0.367 nan 8.230 nan 0.000 0.422 563 Y N 5.819 126.057 120.300 -0.102 0.000 2.676 563 Y HA 0.294 4.872 4.550 0.047 0.000 0.338 563 Y C -0.366 175.517 175.900 -0.028 0.000 1.057 563 Y CA -0.068 57.993 58.100 -0.066 0.000 1.314 563 Y CB 0.158 38.579 38.460 -0.065 0.000 1.164 563 Y HN 0.575 nan 8.280 nan 0.000 0.509 564 Y N 1.654 121.898 120.300 -0.094 0.000 2.458 564 Y HA 0.849 5.429 4.550 0.050 0.000 0.322 564 Y C 0.099 175.883 175.900 -0.194 0.000 1.259 564 Y CA -1.591 56.438 58.100 -0.119 0.000 1.302 564 Y CB 1.747 40.121 38.460 -0.143 0.000 1.314 564 Y HN 0.488 nan 8.280 nan 0.000 0.509 565 G N 0.675 108.877 108.800 -0.995 0.000 2.742 565 G HA2 0.568 4.555 3.960 0.046 0.000 0.296 565 G HA3 0.568 4.555 3.960 0.046 0.000 0.296 565 G C -1.755 172.550 174.900 -0.992 0.000 1.436 565 G CA -0.297 44.282 45.100 -0.868 0.000 0.928 565 G HN 1.260 nan 8.290 nan 0.000 0.520 566 C N 0.289 119.172 119.300 -0.696 0.000 3.320 566 C HA 0.714 5.201 4.460 0.046 0.000 0.335 566 C C 1.208 176.142 174.990 -0.093 0.000 1.430 566 C CA -0.889 57.920 59.018 -0.348 0.000 1.271 566 C CB 1.067 28.633 27.740 -0.290 0.000 1.609 566 C HN 0.952 nan 8.230 nan 0.000 0.457 567 R N 0.538 121.053 120.500 0.024 0.000 2.078 567 R HA 0.172 4.540 4.340 0.046 0.000 0.224 567 R C 0.470 176.867 176.300 0.161 0.000 1.149 567 R CA 1.107 57.256 56.100 0.082 0.000 0.916 567 R CB -0.051 30.287 30.300 0.064 0.000 0.821 567 R HN 0.647 nan 8.270 nan 0.000 0.434 568 R N -0.465 120.132 120.500 0.163 0.000 2.621 568 R HA 0.163 4.531 4.340 0.046 0.000 0.292 568 R C 0.495 176.862 176.300 0.111 0.000 0.969 568 R CA -0.254 55.911 56.100 0.109 0.000 0.887 568 R CB 1.935 32.255 30.300 0.032 0.000 1.180 568 R HN 0.074 nan 8.270 nan 0.000 0.450 569 S N 1.224 116.802 115.700 -0.203 0.000 2.400 569 S HA -0.208 4.290 4.470 0.046 0.000 0.234 569 S C 1.020 175.678 174.600 0.098 0.000 1.049 569 S CA 2.364 60.466 58.200 -0.164 0.000 1.039 569 S CB -0.080 62.768 63.200 -0.586 0.000 0.856 569 S HN 0.765 nan 8.310 nan 0.000 0.465 570 D N -0.903 119.508 120.400 0.019 0.000 2.424 570 D HA 0.215 4.883 4.640 0.046 0.000 0.220 570 D C 1.040 177.368 176.300 0.047 0.000 1.150 570 D CA 0.002 54.022 54.000 0.033 0.000 0.831 570 D CB 0.200 40.995 40.800 -0.008 0.000 0.981 570 D HN 0.469 nan 8.370 nan 0.000 0.500 571 E N 1.313 121.560 120.200 0.079 0.000 2.280 571 E HA 0.019 4.396 4.350 0.046 0.000 0.197 571 E C -0.522 176.130 176.600 0.086 0.000 0.913 571 E CA 0.885 57.326 56.400 0.068 0.000 0.995 571 E CB 0.257 29.993 29.700 0.061 0.000 0.991 571 E HN 0.126 nan 8.360 nan 0.000 0.484 572 D N -0.354 120.128 120.400 0.137 0.000 3.100 572 D HA 0.037 4.704 4.640 0.046 0.000 0.350 572 D C -1.216 175.243 176.300 0.264 0.000 1.310 572 D CA -0.522 53.567 54.000 0.147 0.000 0.741 572 D CB -0.897 39.962 40.800 0.099 0.000 1.248 572 D HN 0.057 nan 8.370 nan 0.000 0.527 573 Y N 2.041 122.449 120.300 0.181 0.000 2.627 573 Y HA 0.336 4.914 4.550 0.048 0.000 0.347 573 Y C -0.172 175.842 175.900 0.189 0.000 1.099 573 Y CA -1.566 56.721 58.100 0.311 0.000 1.408 573 Y CB 0.091 38.751 38.460 0.333 0.000 1.247 573 Y HN 0.191 nan 8.280 nan 0.000 0.506 574 L N 6.869 128.368 121.223 0.461 0.000 2.513 574 L HA -0.080 4.288 4.340 0.046 0.000 0.272 574 L C -0.080 176.840 176.870 0.084 0.000 1.187 574 L CA -0.049 54.811 54.840 0.033 0.000 0.895 574 L CB -0.265 41.752 42.059 -0.069 0.000 1.147 574 L HN 0.656 nan 8.230 nan 0.000 0.483 575 Y N 1.280 121.617 120.300 0.061 0.000 3.078 575 Y HA -0.273 4.300 4.550 0.038 0.000 0.202 575 Y C 1.649 177.545 175.900 -0.007 0.000 1.322 575 Y CA 0.815 58.916 58.100 0.002 0.000 1.118 575 Y CB -1.665 36.796 38.460 0.003 0.000 1.343 575 Y HN 0.605 nan 8.280 nan 0.000 0.499 576 R N 0.595 121.062 120.500 -0.055 0.000 2.070 576 R HA -0.217 4.151 4.340 0.046 0.000 0.233 576 R C 1.547 177.722 176.300 -0.207 0.000 1.137 576 R CA 2.289 58.099 56.100 -0.484 0.000 0.945 576 R CB 0.111 30.013 30.300 -0.665 0.000 0.845 576 R HN 0.521 nan 8.270 nan 0.000 0.430 577 E N 0.526 120.661 120.200 -0.108 0.000 2.031 577 E HA -0.184 4.194 4.350 0.046 0.000 0.193 577 E C 1.948 178.533 176.600 -0.025 0.000 0.994 577 E CA 1.750 58.113 56.400 -0.061 0.000 0.800 577 E CB -0.150 29.519 29.700 -0.052 0.000 0.752 577 E HN 0.399 nan 8.360 nan 0.000 0.447 578 E N 0.419 120.633 120.200 0.022 0.000 2.058 578 E HA -0.136 4.241 4.350 0.046 0.000 0.194 578 E C 2.060 178.722 176.600 0.103 0.000 0.997 578 E CA 0.812 57.215 56.400 0.005 0.000 0.801 578 E CB -0.232 29.532 29.700 0.108 0.000 0.746 578 E HN 0.173 nan 8.360 nan 0.000 0.450 579 L N 0.111 121.469 121.223 0.225 0.000 2.083 579 L HA -0.201 4.167 4.340 0.046 0.000 0.209 579 L C 2.378 179.398 176.870 0.250 0.000 1.083 579 L CA 1.085 56.109 54.840 0.307 0.000 0.752 579 L CB -0.485 41.730 42.059 0.260 0.000 0.899 579 L HN 0.178 nan 8.230 nan 0.000 0.433 580 A N 0.144 123.050 122.820 0.143 0.000 1.877 580 A HA -0.260 4.087 4.320 0.046 0.000 0.216 580 A C 2.334 179.978 177.584 0.099 0.000 1.186 580 A CA 1.848 53.965 52.037 0.133 0.000 0.620 580 A CB -0.499 18.532 19.000 0.052 0.000 0.822 580 A HN 0.290 nan 8.150 nan 0.000 0.443 581 R N -0.982 119.511 120.500 -0.011 0.000 2.105 581 R HA -0.120 4.247 4.340 0.046 0.000 0.239 581 R C 1.568 177.820 176.300 -0.080 0.000 1.135 581 R CA 1.836 57.869 56.100 -0.112 0.000 0.967 581 R CB -0.858 29.283 30.300 -0.264 0.000 0.861 581 R HN 0.453 nan 8.270 nan 0.000 0.442 582 F N -0.628 119.366 119.950 0.074 0.000 2.186 582 F HA -0.061 4.495 4.527 0.049 0.000 0.299 582 F C 2.355 178.230 175.800 0.125 0.000 1.090 582 F CA 1.590 59.639 58.000 0.081 0.000 1.307 582 F CB -0.812 38.230 39.000 0.069 0.000 1.019 582 F HN 0.236 nan 8.300 nan 0.000 0.489 583 H N 1.444 120.637 119.070 0.205 0.000 2.293 583 H HA -0.145 4.437 4.556 0.044 0.000 0.300 583 H C 2.107 177.484 175.328 0.083 0.000 1.082 583 H CA 2.273 58.395 56.048 0.123 0.000 1.308 583 H CB -0.314 29.509 29.762 0.102 0.000 1.375 583 H HN 0.305 nan 8.280 nan 0.000 0.495 584 K N -0.588 119.800 120.400 -0.020 0.000 2.288 584 K HA -0.058 4.289 4.320 0.046 0.000 0.201 584 K C 0.855 177.433 176.600 -0.037 0.000 1.048 584 K CA 1.479 57.696 56.287 -0.116 0.000 0.956 584 K CB 0.219 32.667 32.500 -0.087 0.000 0.746 584 K HN 0.128 nan 8.250 nan 0.000 0.461 585 D N 0.755 121.173 120.400 0.029 0.000 2.336 585 D HA 0.047 4.714 4.640 0.046 0.000 0.229 585 D C 1.033 177.373 176.300 0.065 0.000 1.061 585 D CA 0.957 54.982 54.000 0.042 0.000 0.875 585 D CB 0.568 41.401 40.800 0.054 0.000 0.904 585 D HN 0.572 nan 8.370 nan 0.000 0.525 586 G N 0.836 109.676 108.800 0.068 0.000 2.245 586 G HA2 -0.423 3.565 3.960 0.046 0.000 0.264 586 G HA3 -0.423 3.565 3.960 0.046 0.000 0.264 586 G C 1.392 176.354 174.900 0.103 0.000 0.985 586 G CA 0.766 45.908 45.100 0.071 0.000 0.625 586 G HN 0.510 nan 8.290 nan 0.000 0.536 587 A N -0.499 122.411 122.820 0.150 0.000 1.865 587 A HA 0.367 4.715 4.320 0.046 0.000 0.217 587 A C 1.421 179.064 177.584 0.099 0.000 1.191 587 A CA 1.807 53.931 52.037 0.144 0.000 0.623 587 A CB -0.159 19.005 19.000 0.273 0.000 0.826 587 A HN 1.276 nan 8.150 nan 0.000 0.444 588 L N 0.972 122.288 121.223 0.155 0.000 2.282 588 L HA 0.305 4.672 4.340 0.046 0.000 0.287 588 L C 1.187 178.155 176.870 0.162 0.000 1.075 588 L CA 0.399 55.303 54.840 0.106 0.000 0.839 588 L CB 0.339 42.472 42.059 0.124 0.000 1.219 588 L HN 0.344 nan 8.230 nan 0.000 0.434 589 T N 2.875 117.483 114.554 0.090 0.000 2.652 589 T HA -0.121 4.256 4.350 0.046 0.000 0.267 589 T C 0.341 175.099 174.700 0.096 0.000 1.039 589 T CA 1.531 63.694 62.100 0.105 0.000 1.153 589 T CB -0.118 68.791 68.868 0.069 0.000 0.863 589 T HN 0.607 nan 8.240 nan 0.000 0.428 590 Q N -0.042 119.726 119.800 -0.054 0.000 2.274 590 Q HA 0.473 4.841 4.340 0.046 0.000 0.268 590 Q C -1.563 174.233 176.000 -0.339 0.000 1.015 590 Q CA -0.279 55.405 55.803 -0.197 0.000 0.775 590 Q CB 2.424 31.074 28.738 -0.147 0.000 1.256 590 Q HN 0.247 nan 8.270 nan 0.000 0.442 591 L N 3.632 124.552 121.223 -0.504 0.000 2.288 591 L HA 0.359 4.727 4.340 0.046 0.000 0.283 591 L C -0.966 175.760 176.870 -0.240 0.000 1.072 591 L CA -0.362 54.278 54.840 -0.334 0.000 0.862 591 L CB 0.317 42.184 42.059 -0.320 0.000 1.245 591 L HN 0.576 nan 8.230 nan 0.000 0.432 592 N N 4.190 122.718 118.700 -0.286 0.000 2.485 592 N HA 0.277 5.045 4.740 0.046 0.000 0.243 592 N C -0.823 174.587 175.510 -0.166 0.000 0.987 592 N CA -0.165 52.737 53.050 -0.246 0.000 0.940 592 N CB 1.970 40.169 38.487 -0.480 0.000 1.122 592 N HN 0.185 nan 8.380 nan 0.000 0.509 593 V N 1.077 120.877 119.914 -0.190 0.000 2.448 593 V HA 0.649 4.797 4.120 0.046 0.000 0.295 593 V C 0.095 175.829 176.094 -0.600 0.000 1.025 593 V CA -1.118 60.911 62.300 -0.451 0.000 0.859 593 V CB 1.461 32.900 31.823 -0.640 0.000 0.988 593 V HN 0.632 nan 8.190 nan 0.000 0.431 594 A N 5.002 127.466 122.820 -0.594 0.000 2.249 594 A HA 0.820 5.168 4.320 0.046 0.000 0.314 594 A C -0.867 176.383 177.584 -0.556 0.000 1.290 594 A CA -0.275 51.520 52.037 -0.403 0.000 0.893 594 A CB 0.065 18.965 19.000 -0.166 0.000 1.165 594 A HN 0.640 nan 8.150 nan 0.000 0.530 595 F N 2.690 122.579 119.950 -0.101 0.000 2.303 595 F HA 0.212 4.765 4.527 0.044 0.000 0.368 595 F C 1.714 177.466 175.800 -0.080 0.000 1.105 595 F CA -0.066 57.874 58.000 -0.099 0.000 1.153 595 F CB 1.312 40.272 39.000 -0.067 0.000 1.362 595 F HN 0.682 nan 8.300 nan 0.000 0.511 596 S N 1.978 117.718 115.700 0.068 0.000 2.474 596 S HA -0.090 4.408 4.470 0.046 0.000 0.235 596 S C 1.434 176.038 174.600 0.006 0.000 0.997 596 S CA 0.726 58.951 58.200 0.041 0.000 0.949 596 S CB -0.155 63.163 63.200 0.196 0.000 0.766 596 S HN 0.688 nan 8.310 nan 0.000 0.517 597 R N 0.140 120.668 120.500 0.046 0.000 2.535 597 R HA 0.310 4.678 4.340 0.046 0.000 0.323 597 R C 0.839 177.148 176.300 0.015 0.000 0.979 597 R CA -0.023 56.091 56.100 0.024 0.000 1.120 597 R CB 0.279 30.603 30.300 0.039 0.000 1.306 597 R HN 0.481 nan 8.270 nan 0.000 0.540 598 E N 1.404 121.617 120.200 0.022 0.000 2.489 598 E HA -0.045 4.332 4.350 0.046 0.000 0.193 598 E C 0.469 177.065 176.600 -0.007 0.000 1.057 598 E CA 0.463 56.862 56.400 -0.003 0.000 0.866 598 E CB 0.406 30.091 29.700 -0.025 0.000 0.916 598 E HN 0.247 nan 8.360 nan 0.000 0.500 599 Q N -1.527 118.260 119.800 -0.022 0.000 2.687 599 Q HA 0.474 4.842 4.340 0.046 0.000 0.305 599 Q C 0.422 176.431 176.000 0.015 0.000 1.006 599 Q CA -0.323 55.483 55.803 0.005 0.000 0.763 599 Q CB 0.921 29.668 28.738 0.015 0.000 1.506 599 Q HN -0.118 nan 8.270 nan 0.000 0.459 600 A N 0.678 123.555 122.820 0.095 0.000 1.902 600 A HA -0.083 4.265 4.320 0.046 0.000 0.217 600 A C 0.957 178.596 177.584 0.092 0.000 1.181 600 A CA 1.727 53.815 52.037 0.084 0.000 0.623 600 A CB -1.030 18.019 19.000 0.081 0.000 0.818 600 A HN 0.800 nan 8.150 nan 0.000 0.443 601 H N -0.107 118.929 119.070 -0.057 0.000 2.487 601 H HA 0.509 5.093 4.556 0.046 0.000 0.333 601 H C -0.876 174.382 175.328 -0.116 0.000 1.114 601 H CA -0.722 55.270 56.048 -0.092 0.000 1.310 601 H CB 0.409 30.105 29.762 -0.110 0.000 1.462 601 H HN 0.097 nan 8.280 nan 0.000 0.516 602 K N 2.607 122.855 120.400 -0.252 0.000 2.349 602 K HA 0.247 4.595 4.320 0.046 0.000 0.288 602 K C -0.613 175.687 176.600 -0.501 0.000 1.058 602 K CA -0.451 55.586 56.287 -0.416 0.000 0.953 602 K CB 0.937 33.108 32.500 -0.548 0.000 0.997 602 K HN 0.327 nan 8.250 nan 0.000 0.477 603 V N 5.463 125.157 119.914 -0.367 0.000 2.370 603 V HA 0.227 4.375 4.120 0.046 0.000 0.279 603 V C -0.570 175.549 176.094 0.042 0.000 1.029 603 V CA -0.693 61.543 62.300 -0.106 0.000 0.870 603 V CB 0.132 31.888 31.823 -0.112 0.000 0.984 603 V HN 0.519 nan 8.190 nan 0.000 0.451 604 Y N 2.724 123.054 120.300 0.050 0.000 2.587 604 Y HA 0.408 4.986 4.550 0.046 0.000 0.337 604 Y C 1.204 176.933 175.900 -0.284 0.000 1.065 604 Y CA -1.322 56.636 58.100 -0.237 0.000 1.126 604 Y CB 1.719 39.941 38.460 -0.395 0.000 1.279 604 Y HN 0.391 nan 8.280 nan 0.000 0.489 605 V N -0.894 118.974 119.914 -0.078 0.000 2.568 605 V HA -0.263 3.884 4.120 0.046 0.000 0.253 605 V C 1.290 177.274 176.094 -0.184 0.000 1.072 605 V CA 1.890 64.133 62.300 -0.096 0.000 1.084 605 V CB -0.702 31.066 31.823 -0.091 0.000 0.676 605 V HN 0.780 nan 8.190 nan 0.000 0.469 606 Q N 0.051 119.678 119.800 -0.288 0.000 2.170 606 Q HA -0.120 4.248 4.340 0.046 0.000 0.203 606 Q C 2.216 178.079 176.000 -0.227 0.000 0.976 606 Q CA 1.944 57.551 55.803 -0.326 0.000 0.858 606 Q CB -0.666 27.876 28.738 -0.327 0.000 0.907 606 Q HN 0.793 nan 8.270 nan 0.000 0.433 607 H N -0.025 119.026 119.070 -0.032 0.000 2.389 607 H HA -0.013 4.570 4.556 0.046 0.000 0.299 607 H C 1.920 177.239 175.328 -0.014 0.000 1.081 607 H CA 1.009 57.045 56.048 -0.020 0.000 1.345 607 H CB -0.230 29.530 29.762 -0.003 0.000 1.393 607 H HN 0.229 nan 8.280 nan 0.000 0.520 608 L N 0.021 121.294 121.223 0.084 0.000 2.156 608 L HA -0.093 4.275 4.340 0.046 0.000 0.208 608 L C 2.509 179.400 176.870 0.035 0.000 1.095 608 L CA 0.516 55.431 54.840 0.126 0.000 0.770 608 L CB -0.387 41.814 42.059 0.236 0.000 0.914 608 L HN 0.160 nan 8.230 nan 0.000 0.439 609 L N -0.028 121.062 121.223 -0.222 0.000 2.017 609 L HA -0.220 4.147 4.340 0.046 0.000 0.208 609 L C 2.700 179.455 176.870 -0.191 0.000 1.073 609 L CA 1.147 55.728 54.840 -0.432 0.000 0.745 609 L CB -0.424 41.251 42.059 -0.639 0.000 0.894 609 L HN 0.159 nan 8.230 nan 0.000 0.432 610 K N 0.546 120.879 120.400 -0.112 0.000 2.097 610 K HA -0.209 4.139 4.320 0.046 0.000 0.206 610 K C 2.182 178.808 176.600 0.044 0.000 1.049 610 K CA 1.378 57.656 56.287 -0.015 0.000 0.933 610 K CB -0.232 32.285 32.500 0.029 0.000 0.717 610 K HN 0.062 nan 8.250 nan 0.000 0.442 611 R N 0.316 120.851 120.500 0.058 0.000 2.083 611 R HA -0.119 4.249 4.340 0.046 0.000 0.237 611 R C 0.293 176.648 176.300 0.091 0.000 1.137 611 R CA 2.062 58.211 56.100 0.083 0.000 0.951 611 R CB -0.203 30.156 30.300 0.099 0.000 0.851 611 R HN 0.181 nan 8.270 nan 0.000 0.434 612 D N 0.551 121.013 120.400 0.103 0.000 2.370 612 D HA -0.016 4.651 4.640 0.046 0.000 0.230 612 D C 1.329 177.677 176.300 0.080 0.000 1.143 612 D CA 0.045 54.123 54.000 0.130 0.000 0.834 612 D CB 0.090 41.033 40.800 0.238 0.000 0.944 612 D HN 0.422 nan 8.370 nan 0.000 0.504 613 R N 1.079 121.597 120.500 0.030 0.000 2.133 613 R HA -0.252 4.116 4.340 0.046 0.000 0.245 613 R C 1.762 177.832 176.300 -0.382 0.000 1.137 613 R CA 1.344 57.411 56.100 -0.055 0.000 0.947 613 R CB -0.632 29.752 30.300 0.139 0.000 0.865 613 R HN 0.172 nan 8.270 nan 0.000 0.437 614 E N -0.062 119.843 120.200 -0.492 0.000 2.058 614 E HA -0.275 4.102 4.350 0.046 0.000 0.194 614 E C 2.089 178.583 176.600 -0.177 0.000 0.997 614 E CA 1.640 57.647 56.400 -0.655 0.000 0.801 614 E CB -0.114 29.455 29.700 -0.218 0.000 0.746 614 E HN 0.535 nan 8.360 nan 0.000 0.450 615 H N -0.337 118.679 119.070 -0.091 0.000 2.326 615 H HA -0.086 4.498 4.556 0.045 0.000 0.301 615 H C 1.841 177.193 175.328 0.040 0.000 1.081 615 H CA 1.362 57.412 56.048 0.003 0.000 1.334 615 H CB -0.209 29.577 29.762 0.040 0.000 1.385 615 H HN 0.129 nan 8.280 nan 0.000 0.504 616 L N 0.117 121.348 121.223 0.013 0.000 2.081 616 L HA -0.216 4.152 4.340 0.046 0.000 0.212 616 L C 2.430 179.341 176.870 0.069 0.000 1.080 616 L CA 1.691 56.554 54.840 0.038 0.000 0.754 616 L CB -1.231 40.917 42.059 0.149 0.000 0.893 616 L HN 0.573 nan 8.230 nan 0.000 0.433 617 W N 0.431 121.638 121.300 -0.155 0.000 2.388 617 W HA -0.209 4.478 4.660 0.046 0.000 0.294 617 W C 2.209 178.703 176.519 -0.041 0.000 1.212 617 W CA 1.171 58.454 57.345 -0.103 0.000 1.271 617 W CB 0.077 29.375 29.460 -0.270 0.000 1.126 617 W HN 0.165 nan 8.180 nan 0.000 0.535 618 K N 0.013 120.363 120.400 -0.084 0.000 2.057 618 K HA -0.218 4.129 4.320 0.046 0.000 0.207 618 K C 1.912 178.394 176.600 -0.195 0.000 1.049 618 K CA 1.315 57.520 56.287 -0.138 0.000 0.931 618 K CB -0.417 32.053 32.500 -0.049 0.000 0.714 618 K HN 0.064 nan 8.250 nan 0.000 0.440 619 L N 1.083 122.166 121.223 -0.233 0.000 2.005 619 L HA -0.110 4.258 4.340 0.046 0.000 0.207 619 L C 2.105 178.881 176.870 -0.156 0.000 1.072 619 L CA 1.526 56.252 54.840 -0.189 0.000 0.744 619 L CB -0.499 41.440 42.059 -0.199 0.000 0.895 619 L HN 0.150 nan 8.230 nan 0.000 0.433 620 I N -1.581 118.899 120.570 -0.150 0.000 2.226 620 I HA -0.345 3.852 4.170 0.046 0.000 0.245 620 I C 2.567 178.548 176.117 -0.227 0.000 1.100 620 I CA 1.469 62.683 61.300 -0.143 0.000 1.374 620 I CB -0.441 37.539 38.000 -0.032 0.000 1.057 620 I HN 0.407 nan 8.210 nan 0.000 0.413 621 H N 0.586 119.305 119.070 -0.585 0.000 2.415 621 H HA 0.009 4.592 4.556 0.046 0.000 0.297 621 H C 1.704 176.820 175.328 -0.354 0.000 1.048 621 H CA 1.213 56.858 56.048 -0.672 0.000 1.365 621 H CB 0.612 29.502 29.762 -1.454 0.000 1.421 621 H HN 0.403 nan 8.280 nan 0.000 0.533 622 E N -0.954 119.100 120.200 -0.244 0.000 2.290 622 E HA 0.069 4.447 4.350 0.046 0.000 0.199 622 E C 1.974 178.499 176.600 -0.126 0.000 0.912 622 E CA 0.368 56.670 56.400 -0.164 0.000 0.924 622 E CB 0.438 30.096 29.700 -0.070 0.000 0.901 622 E HN 0.348 nan 8.360 nan 0.000 0.487 623 G N 0.395 109.126 108.800 -0.115 0.000 2.880 623 G HA2 0.154 4.142 3.960 0.046 0.000 0.209 623 G HA3 0.154 4.142 3.960 0.046 0.000 0.209 623 G C 1.004 175.868 174.900 -0.061 0.000 1.157 623 G CA 0.205 45.260 45.100 -0.075 0.000 0.779 623 G HN 0.322 nan 8.290 nan 0.000 0.539 624 G N -0.132 108.614 108.800 -0.089 0.000 2.338 624 G HA2 0.132 4.120 3.960 0.046 0.000 0.296 624 G HA3 0.132 4.120 3.960 0.046 0.000 0.296 624 G C 0.482 175.389 174.900 0.011 0.000 1.040 624 G CA 0.328 45.391 45.100 -0.060 0.000 1.004 624 G HN 1.228 nan 8.290 nan 0.000 0.509 625 A N 0.428 123.232 122.820 -0.026 0.000 2.386 625 A HA 0.645 4.993 4.320 0.046 0.000 0.248 625 A C 0.434 178.029 177.584 0.018 0.000 1.082 625 A CA -0.184 51.865 52.037 0.020 0.000 0.789 625 A CB 0.423 19.404 19.000 -0.033 0.000 1.025 625 A HN 0.610 nan 8.150 nan 0.000 0.490 626 H N 0.331 119.314 119.070 -0.146 0.000 2.457 626 H HA 0.468 5.052 4.556 0.046 0.000 0.335 626 H C -0.866 174.211 175.328 -0.418 0.000 1.115 626 H CA -0.273 55.593 56.048 -0.303 0.000 1.219 626 H CB 1.365 30.950 29.762 -0.295 0.000 1.471 626 H HN 0.500 nan 8.280 nan 0.000 0.491 627 I N 3.538 123.764 120.570 -0.573 0.000 2.441 627 I HA 0.175 4.373 4.170 0.046 0.000 0.295 627 I C -1.027 174.684 176.117 -0.676 0.000 0.994 627 I CA -0.689 60.249 61.300 -0.602 0.000 1.144 627 I CB 1.069 38.468 38.000 -1.003 0.000 1.314 627 I HN 0.432 nan 8.210 nan 0.000 0.445 628 Y N 4.829 125.082 120.300 -0.079 0.000 2.332 628 Y HA 0.468 5.047 4.550 0.049 0.000 0.326 628 Y C -0.391 175.726 175.900 0.362 0.000 0.978 628 Y CA -0.993 57.226 58.100 0.199 0.000 1.205 628 Y CB 1.634 40.283 38.460 0.316 0.000 1.131 628 Y HN 0.151 nan 8.280 nan 0.000 0.462 629 V N 3.618 123.827 119.914 0.491 0.000 2.311 629 V HA 0.286 4.434 4.120 0.046 0.000 0.275 629 V C -0.174 176.176 176.094 0.426 0.000 1.022 629 V CA -0.700 61.845 62.300 0.410 0.000 0.830 629 V CB 0.862 32.872 31.823 0.311 0.000 1.012 629 V HN 0.942 nan 8.190 nan 0.000 0.452 630 C N 4.947 124.514 119.300 0.445 0.000 2.411 630 C HA 1.011 5.499 4.460 0.046 0.000 0.330 630 C C 0.773 175.749 174.990 -0.023 0.000 1.224 630 C CA 0.817 59.938 59.018 0.171 0.000 1.770 630 C CB 0.297 28.067 27.740 0.050 0.000 2.297 630 C HN 1.325 nan 8.230 nan 0.000 0.507 631 G N 4.445 113.006 108.800 -0.399 0.000 2.225 631 G HA2 0.092 4.079 3.960 0.046 0.000 0.203 631 G HA3 0.092 4.079 3.960 0.046 0.000 0.203 631 G C -1.044 173.267 174.900 -0.982 0.000 1.335 631 G CA -0.015 44.597 45.100 -0.813 0.000 1.183 631 G HN 0.975 nan 8.290 nan 0.000 0.488 632 D N 1.151 121.145 120.400 -0.675 0.000 2.487 632 D HA 0.538 5.206 4.640 0.046 0.000 0.243 632 D C 1.223 177.297 176.300 -0.377 0.000 1.154 632 D CA 1.264 54.952 54.000 -0.521 0.000 0.876 632 D CB 1.181 41.769 40.800 -0.353 0.000 1.161 632 D HN 0.970 nan 8.370 nan 0.000 0.478 633 A N 4.571 127.180 122.820 -0.353 0.000 2.044 633 A HA -0.027 4.321 4.320 0.046 0.000 0.213 633 A C 2.028 179.435 177.584 -0.296 0.000 1.169 633 A CA 0.803 52.642 52.037 -0.331 0.000 0.724 633 A CB -0.227 18.498 19.000 -0.459 0.000 0.840 633 A HN 0.753 nan 8.150 nan 0.000 0.463 634 R N 0.193 120.546 120.500 -0.245 0.000 2.070 634 R HA -0.067 4.300 4.340 0.046 0.000 0.232 634 R C 1.450 177.654 176.300 -0.160 0.000 1.138 634 R CA 2.093 58.081 56.100 -0.187 0.000 0.936 634 R CB -0.530 29.685 30.300 -0.141 0.000 0.839 634 R HN 0.540 nan 8.270 nan 0.000 0.429 635 N N -0.578 118.023 118.700 -0.165 0.000 2.765 635 N HA 0.073 4.841 4.740 0.046 0.000 0.230 635 N C 1.709 177.120 175.510 -0.165 0.000 1.022 635 N CA 0.274 53.236 53.050 -0.147 0.000 1.106 635 N CB -0.094 38.310 38.487 -0.139 0.000 1.527 635 N HN -0.026 nan 8.380 nan 0.000 0.507 636 M N 2.053 121.525 119.600 -0.213 0.000 2.113 636 M HA -0.203 4.305 4.480 0.046 0.000 0.255 636 M C 1.932 178.142 176.300 -0.150 0.000 1.073 636 M CA 2.050 57.217 55.300 -0.222 0.000 1.091 636 M CB -0.747 31.699 32.600 -0.256 0.000 1.309 636 M HN 0.265 nan 8.290 nan 0.000 0.407 637 A N 1.027 123.767 122.820 -0.133 0.000 1.892 637 A HA -0.259 4.089 4.320 0.046 0.000 0.218 637 A C 2.086 179.644 177.584 -0.043 0.000 1.188 637 A CA 2.686 54.685 52.037 -0.063 0.000 0.631 637 A CB -0.882 18.069 19.000 -0.083 0.000 0.822 637 A HN 0.795 nan 8.150 nan 0.000 0.447 638 K N -1.340 119.012 120.400 -0.080 0.000 2.296 638 K HA -0.090 4.258 4.320 0.046 0.000 0.200 638 K C 0.875 177.436 176.600 -0.065 0.000 1.048 638 K CA 1.376 57.623 56.287 -0.066 0.000 0.966 638 K CB -0.215 32.247 32.500 -0.064 0.000 0.754 638 K HN 0.230 nan 8.250 nan 0.000 0.466 639 D N 1.477 121.830 120.400 -0.078 0.000 2.097 639 D HA -0.094 4.574 4.640 0.046 0.000 0.197 639 D C 2.075 178.312 176.300 -0.105 0.000 0.984 639 D CA 0.999 54.952 54.000 -0.079 0.000 0.826 639 D CB -0.122 40.621 40.800 -0.095 0.000 0.973 639 D HN 0.032 nan 8.370 nan 0.000 0.460 640 V N 0.780 120.632 119.914 -0.102 0.000 2.490 640 V HA -0.247 3.901 4.120 0.046 0.000 0.250 640 V C 2.523 178.595 176.094 -0.036 0.000 1.061 640 V CA 1.558 63.791 62.300 -0.111 0.000 1.064 640 V CB -0.452 31.366 31.823 -0.008 0.000 0.670 640 V HN 0.200 nan 8.190 nan 0.000 0.461 641 Q N 0.111 119.900 119.800 -0.018 0.000 2.016 641 Q HA -0.209 4.158 4.340 0.046 0.000 0.200 641 Q C 2.241 177.924 176.000 -0.528 0.000 0.978 641 Q CA 1.823 57.519 55.803 -0.179 0.000 0.833 641 Q CB -0.095 28.463 28.738 -0.300 0.000 0.895 641 Q HN 0.630 nan 8.270 nan 0.000 0.427 642 N N -0.304 118.203 118.700 -0.322 0.000 2.137 642 N HA -0.140 4.628 4.740 0.046 0.000 0.190 642 N C 1.678 177.186 175.510 -0.003 0.000 1.017 642 N CA 1.867 54.876 53.050 -0.068 0.000 0.859 642 N CB -0.523 38.003 38.487 0.065 0.000 1.002 642 N HN 0.292 nan 8.380 nan 0.000 0.428 643 T N 0.578 115.062 114.554 -0.116 0.000 2.737 643 T HA -0.024 4.354 4.350 0.046 0.000 0.265 643 T C 1.644 176.275 174.700 -0.115 0.000 1.038 643 T CA 0.734 62.740 62.100 -0.157 0.000 1.144 643 T CB -0.358 68.310 68.868 -0.334 0.000 0.866 643 T HN 0.097 nan 8.240 nan 0.000 0.434 644 F N 0.442 120.399 119.950 0.012 0.000 2.216 644 F HA 0.001 4.555 4.527 0.045 0.000 0.300 644 F C 2.121 178.059 175.800 0.230 0.000 1.085 644 F CA 0.245 58.312 58.000 0.111 0.000 1.326 644 F CB -0.822 38.263 39.000 0.141 0.000 1.027 644 F HN 0.146 nan 8.300 nan 0.000 0.497 645 Y N 0.552 121.038 120.300 0.311 0.000 2.145 645 Y HA -0.220 4.358 4.550 0.047 0.000 0.286 645 Y C 2.309 178.310 175.900 0.168 0.000 1.145 645 Y CA 0.992 59.225 58.100 0.222 0.000 1.148 645 Y CB -1.243 37.338 38.460 0.202 0.000 0.981 645 Y HN 0.049 nan 8.280 nan 0.000 0.507 646 D N -0.158 120.429 120.400 0.312 0.000 2.097 646 D HA -0.154 4.514 4.640 0.046 0.000 0.195 646 D C 2.412 178.773 176.300 0.103 0.000 0.989 646 D CA 1.271 55.369 54.000 0.162 0.000 0.827 646 D CB -0.551 40.310 40.800 0.102 0.000 0.966 646 D HN 0.279 nan 8.370 nan 0.000 0.456 647 I N 0.525 121.192 120.570 0.162 0.000 2.208 647 I HA -0.243 3.955 4.170 0.046 0.000 0.245 647 I C 2.363 178.528 176.117 0.080 0.000 1.097 647 I CA 0.702 62.137 61.300 0.226 0.000 1.363 647 I CB -0.173 38.002 38.000 0.291 0.000 1.051 647 I HN -0.087 nan 8.210 nan 0.000 0.413 648 V N 0.963 120.931 119.914 0.091 0.000 2.307 648 V HA -0.238 3.910 4.120 0.046 0.000 0.245 648 V C 2.681 178.565 176.094 -0.350 0.000 1.045 648 V CA 1.901 64.105 62.300 -0.160 0.000 1.024 648 V CB -0.918 31.024 31.823 0.198 0.000 0.651 648 V HN 0.493 nan 8.190 nan 0.000 0.449 649 A N -0.623 122.119 122.820 -0.130 0.000 2.076 649 A HA -0.260 4.088 4.320 0.046 0.000 0.220 649 A C 2.245 179.678 177.584 -0.252 0.000 1.160 649 A CA 2.073 54.026 52.037 -0.139 0.000 0.653 649 A CB -0.356 18.635 19.000 -0.014 0.000 0.801 649 A HN 0.701 nan 8.150 nan 0.000 0.455 650 E N -1.645 118.343 120.200 -0.353 0.000 2.132 650 E HA 0.026 4.404 4.350 0.046 0.000 0.193 650 E C 1.044 177.151 176.600 -0.823 0.000 0.951 650 E CA 0.303 56.373 56.400 -0.549 0.000 0.843 650 E CB -0.067 29.268 29.700 -0.608 0.000 0.807 650 E HN 0.545 nan 8.360 nan 0.000 0.467 651 F N 0.244 119.713 119.950 -0.801 0.000 2.797 651 F HA 0.305 4.860 4.527 0.047 0.000 0.302 651 F C 0.933 176.172 175.800 -0.934 0.000 1.130 651 F CA 0.558 57.950 58.000 -1.014 0.000 1.387 651 F CB 1.358 39.479 39.000 -1.464 0.000 1.107 651 F HN 0.024 nan 8.300 nan 0.000 0.577 652 G N 0.564 108.941 108.800 -0.706 0.000 3.329 652 G HA2 0.344 4.331 3.960 0.046 0.000 0.313 652 G HA3 0.344 4.331 3.960 0.046 0.000 0.313 652 G C -2.838 171.901 174.900 -0.267 0.000 1.611 652 G CA -1.433 43.499 45.100 -0.279 0.000 0.991 652 G HN -0.267 nan 8.290 nan 0.000 0.508 653 P HA -0.093 nan 4.420 nan 0.000 0.241 653 P C -0.078 177.152 177.300 -0.117 0.000 1.093 653 P CA 1.279 64.282 63.100 -0.162 0.000 0.843 653 P CB -0.066 31.568 31.700 -0.109 0.000 0.760 654 M N 1.820 121.344 119.600 -0.127 0.000 2.484 654 M HA 0.256 4.763 4.480 0.046 0.000 0.289 654 M C 0.058 176.321 176.300 -0.062 0.000 1.206 654 M CA -0.966 54.285 55.300 -0.081 0.000 0.892 654 M CB 2.634 35.183 32.600 -0.086 0.000 1.712 654 M HN 0.041 nan 8.290 nan 0.000 0.462 655 E N 1.097 121.275 120.200 -0.036 0.000 2.349 655 E HA 0.087 4.465 4.350 0.046 0.000 0.262 655 E C 0.626 177.228 176.600 0.004 0.000 1.088 655 E CA 0.053 56.447 56.400 -0.011 0.000 0.899 655 E CB 0.681 30.377 29.700 -0.008 0.000 1.044 655 E HN 0.706 nan 8.360 nan 0.000 0.420 656 H N 1.971 121.004 119.070 -0.061 0.000 2.261 656 H HA -0.241 4.342 4.556 0.046 0.000 0.290 656 H C 1.684 176.949 175.328 -0.106 0.000 1.081 656 H CA 3.266 59.269 56.048 -0.074 0.000 1.196 656 H CB 0.142 29.863 29.762 -0.069 0.000 1.350 656 H HN 0.632 nan 8.280 nan 0.000 0.498 657 T N -0.818 113.596 114.554 -0.232 0.000 2.721 657 T HA -0.255 4.122 4.350 0.046 0.000 0.268 657 T C 1.987 176.559 174.700 -0.213 0.000 1.038 657 T CA 2.018 63.954 62.100 -0.273 0.000 1.145 657 T CB -0.568 68.231 68.868 -0.115 0.000 0.858 657 T HN 0.516 nan 8.240 nan 0.000 0.459 658 Q N 0.958 120.686 119.800 -0.120 0.000 2.084 658 Q HA 0.051 4.419 4.340 0.046 0.000 0.202 658 Q C 2.858 178.843 176.000 -0.026 0.000 0.978 658 Q CA 1.493 57.266 55.803 -0.050 0.000 0.844 658 Q CB -0.461 28.264 28.738 -0.021 0.000 0.898 658 Q HN 0.779 nan 8.270 nan 0.000 0.426 659 A N 0.692 123.462 122.820 -0.083 0.000 1.930 659 A HA -0.123 4.225 4.320 0.046 0.000 0.217 659 A C 2.312 179.887 177.584 -0.016 0.000 1.175 659 A CA 1.422 53.461 52.037 0.004 0.000 0.627 659 A CB -0.784 18.224 19.000 0.014 0.000 0.815 659 A HN 0.342 nan 8.150 nan 0.000 0.443 660 V N -1.741 117.931 119.914 -0.403 0.000 2.427 660 V HA -0.181 3.967 4.120 0.046 0.000 0.248 660 V C 1.625 177.634 176.094 -0.142 0.000 1.051 660 V CA 2.455 64.395 62.300 -0.599 0.000 1.048 660 V CB -0.820 30.440 31.823 -0.937 0.000 0.666 660 V HN 0.382 nan 8.190 nan 0.000 0.456 661 D N -0.671 119.681 120.400 -0.079 0.000 2.183 661 D HA -0.103 4.565 4.640 0.046 0.000 0.203 661 D C 1.880 178.226 176.300 0.077 0.000 0.969 661 D CA 1.744 55.741 54.000 -0.004 0.000 0.842 661 D CB -0.355 40.441 40.800 -0.006 0.000 0.957 661 D HN 0.679 nan 8.370 nan 0.000 0.484 662 Y N 1.509 121.827 120.300 0.030 0.000 2.181 662 Y HA -0.223 4.354 4.550 0.046 0.000 0.288 662 Y C 2.108 178.073 175.900 0.110 0.000 1.146 662 Y CA 1.243 59.397 58.100 0.089 0.000 1.164 662 Y CB -0.159 38.394 38.460 0.155 0.000 0.982 662 Y HN -0.205 nan 8.280 nan 0.000 0.515 663 V N 0.658 120.749 119.914 0.294 0.000 2.358 663 V HA -0.265 3.883 4.120 0.046 0.000 0.246 663 V C 2.119 178.233 176.094 0.033 0.000 1.047 663 V CA 2.187 64.627 62.300 0.233 0.000 1.035 663 V CB -0.554 31.553 31.823 0.473 0.000 0.658 663 V HN 0.307 nan 8.190 nan 0.000 0.452 664 K N 0.094 120.518 120.400 0.039 0.000 2.283 664 K HA -0.164 4.184 4.320 0.046 0.000 0.202 664 K C 2.132 178.699 176.600 -0.055 0.000 1.048 664 K CA 0.862 57.133 56.287 -0.026 0.000 0.948 664 K CB -0.102 32.392 32.500 -0.010 0.000 0.742 664 K HN 0.170 nan 8.250 nan 0.000 0.458 665 K N 1.359 121.711 120.400 -0.081 0.000 2.288 665 K HA 0.028 4.375 4.320 0.046 0.000 0.201 665 K C 1.624 178.127 176.600 -0.162 0.000 1.048 665 K CA 0.688 56.905 56.287 -0.116 0.000 0.956 665 K CB 0.016 32.432 32.500 -0.140 0.000 0.746 665 K HN 0.056 nan 8.250 nan 0.000 0.461 666 L N -0.395 120.715 121.223 -0.189 0.000 2.109 666 L HA -0.065 4.302 4.340 0.046 0.000 0.207 666 L C 2.156 178.959 176.870 -0.111 0.000 1.086 666 L CA 1.013 55.742 54.840 -0.185 0.000 0.760 666 L CB -0.292 41.685 42.059 -0.137 0.000 0.910 666 L HN 0.199 nan 8.230 nan 0.000 0.437 667 M N -1.194 118.360 119.600 -0.076 0.000 2.296 667 M HA -0.127 4.380 4.480 0.046 0.000 0.265 667 M C 2.097 178.380 176.300 -0.029 0.000 1.064 667 M CA 1.415 56.691 55.300 -0.040 0.000 1.109 667 M CB -0.504 32.056 32.600 -0.067 0.000 1.396 667 M HN 0.148 nan 8.290 nan 0.000 0.430 668 T N 0.737 115.265 114.554 -0.044 0.000 2.857 668 T HA -0.058 4.320 4.350 0.046 0.000 0.266 668 T C 1.455 176.131 174.700 -0.040 0.000 1.048 668 T CA 1.098 63.179 62.100 -0.032 0.000 1.139 668 T CB -0.059 68.789 68.868 -0.034 0.000 0.874 668 T HN 0.402 nan 8.240 nan 0.000 0.455 669 K N 0.742 121.100 120.400 -0.071 0.000 2.437 669 K HA 0.361 4.709 4.320 0.046 0.000 0.198 669 K C 1.097 177.651 176.600 -0.078 0.000 1.024 669 K CA 0.177 56.421 56.287 -0.071 0.000 1.148 669 K CB 0.377 32.816 32.500 -0.102 0.000 0.860 669 K HN 0.300 nan 8.250 nan 0.000 0.515 670 G N 2.197 110.954 108.800 -0.073 0.000 2.221 670 G HA2 -0.281 3.706 3.960 0.046 0.000 0.265 670 G HA3 -0.281 3.706 3.960 0.046 0.000 0.265 670 G C 0.686 175.423 174.900 -0.273 0.000 1.041 670 G CA 0.013 45.072 45.100 -0.068 0.000 0.807 670 G HN 0.262 nan 8.290 nan 0.000 0.502 671 R N -1.491 118.794 120.500 -0.358 0.000 2.254 671 R HA 0.142 4.509 4.340 0.046 0.000 0.193 671 R C 0.083 176.119 176.300 -0.441 0.000 0.929 671 R CA 0.298 56.015 56.100 -0.639 0.000 1.038 671 R CB 0.492 30.518 30.300 -0.457 0.000 1.009 671 R HN 0.506 nan 8.270 nan 0.000 0.512 672 Y N 1.343 121.430 120.300 -0.356 0.000 2.526 672 Y HA 0.342 4.919 4.550 0.046 0.000 0.328 672 Y C -1.012 174.800 175.900 -0.147 0.000 0.995 672 Y CA -1.357 56.573 58.100 -0.284 0.000 1.304 672 Y CB 0.910 39.237 38.460 -0.222 0.000 1.096 672 Y HN -0.208 nan 8.280 nan 0.000 0.499 673 S N 5.962 121.701 115.700 0.066 0.000 2.508 673 S HA 0.709 5.206 4.470 0.046 0.000 0.284 673 S C -0.648 174.296 174.600 0.573 0.000 1.192 673 S CA -0.564 57.804 58.200 0.280 0.000 1.070 673 S CB 1.268 64.579 63.200 0.186 0.000 1.004 673 S HN 0.542 nan 8.310 nan 0.000 0.493 674 L N 1.968 123.530 121.223 0.566 0.000 2.313 674 L HA 0.661 5.029 4.340 0.046 0.000 0.268 674 L C -0.146 176.874 176.870 0.250 0.000 1.010 674 L CA -0.323 54.799 54.840 0.471 0.000 0.814 674 L CB 1.228 43.475 42.059 0.314 0.000 1.304 674 L HN 0.597 nan 8.230 nan 0.000 0.441 675 D N 0.751 121.167 120.400 0.027 0.000 3.449 675 D HA 0.262 4.930 4.640 0.046 0.000 0.262 675 D C -1.247 175.106 176.300 0.088 0.000 1.343 675 D CA -0.172 53.709 54.000 -0.198 0.000 0.787 675 D CB 0.652 40.810 40.800 -1.070 0.000 1.412 675 D HN 0.245 nan 8.370 nan 0.000 0.652 676 V N -0.563 119.438 119.914 0.145 0.000 2.975 676 V HA 1.039 5.187 4.120 0.046 0.000 0.318 676 V C -0.145 176.126 176.094 0.295 0.000 1.077 676 V CA -0.451 61.877 62.300 0.046 0.000 1.000 676 V CB 1.483 33.263 31.823 -0.072 0.000 1.066 676 V HN 0.347 nan 8.190 nan 0.000 0.452 677 W N 0.934 122.237 121.300 0.006 0.000 3.121 677 W HA 0.911 5.598 4.660 0.045 0.000 0.415 677 W C -0.833 175.690 176.519 0.006 0.000 1.059 677 W CA -0.269 57.103 57.345 0.044 0.000 1.185 677 W CB 0.480 29.941 29.460 0.001 0.000 1.478 677 W HN 0.693 nan 8.180 nan 0.000 0.615 678 S N 0.000 115.922 115.700 0.370 0.000 2.498 678 S HA 0.000 4.498 4.470 0.046 0.000 0.327 678 S CA 0.000 58.305 58.200 0.176 0.000 1.107 678 S CB 0.000 63.266 63.200 0.111 0.000 0.593 678 S HN 0.000 nan 8.310 nan 0.000 0.517