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_B 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 4.948 4.320 0.001 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 0.975 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 0.162 4.512 4.350 0.001 0.000 0.257 66 E C -0.319 176.279 176.600 -0.003 0.000 1.155 66 E CA -0.193 56.112 56.400 -0.157 0.000 0.936 66 E CB 1.203 30.689 29.700 -0.356 0.000 1.130 66 E HN 0.400 nan 8.360 nan 0.000 0.465 67 S N 0.478 116.213 115.700 0.058 0.000 2.593 67 S HA 0.016 4.487 4.470 0.001 0.000 0.269 67 S C 0.311 175.013 174.600 0.170 0.000 1.334 67 S CA -0.341 57.907 58.200 0.081 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 1.190 116.931 115.700 0.068 0.000 2.931 68 S HA -0.102 4.368 4.470 0.001 0.000 0.342 68 S C 1.112 175.688 174.600 -0.040 0.000 1.220 68 S CA -0.198 57.976 58.200 -0.045 0.000 1.045 68 S CB -0.524 62.570 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 4.577 4.527 0.001 0.000 0.300 69 F C 1.649 177.395 175.800 -0.090 0.000 1.083 69 F CA 0.625 58.533 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 0.937 120.508 119.914 -0.573 0.000 2.358 70 V HA -0.242 3.878 4.120 0.001 0.000 0.246 70 V C 2.378 178.392 176.094 -0.135 0.000 1.047 70 V CA 2.223 64.329 62.300 -0.323 0.000 1.035 70 V CB -0.751 30.838 31.823 -0.391 0.000 0.658 70 V HN 0.385 nan 8.190 nan 0.000 0.452 71 E N -0.053 120.075 120.200 -0.120 0.000 2.107 71 E HA -0.216 4.135 4.350 0.001 0.000 0.191 71 E C 2.245 178.834 176.600 -0.018 0.000 0.982 71 E CA 0.987 57.354 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 4.213 4.320 0.001 0.000 0.205 72 K C 2.011 178.622 176.600 0.018 0.000 1.049 72 K CA 1.057 57.366 56.287 0.036 0.000 0.936 72 K CB 0.114 32.667 32.500 0.089 0.000 0.722 72 K HN 0.069 nan 8.250 nan 0.000 0.446 73 M N 0.028 119.635 119.600 0.012 0.000 2.160 73 M HA -0.115 4.366 4.480 0.001 0.000 0.264 73 M C 2.006 178.301 176.300 -0.008 0.000 1.073 73 M CA 1.503 56.806 55.300 0.007 0.000 1.142 73 M CB -0.045 32.569 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 4.119 4.320 0.001 0.000 0.207 74 K C 2.022 178.611 176.600 -0.018 0.000 1.048 74 K CA 1.261 57.535 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 0.733 121.125 120.400 -0.013 0.000 2.155 75 K HA -0.083 4.237 4.320 0.001 0.000 0.203 75 K C 1.542 178.136 176.600 -0.011 0.000 1.052 75 K CA 1.633 57.914 56.287 -0.010 0.000 0.948 75 K CB 0.179 32.677 32.500 -0.004 0.000 0.728 75 K HN 0.194 nan 8.250 nan 0.000 0.448 76 T N -3.519 111.030 114.554 -0.009 0.000 3.086 76 T HA 0.219 4.569 4.350 0.001 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 0.534 69.402 68.868 -0.000 0.000 0.988 76 T HN 0.306 nan 8.240 nan 0.000 0.530 77 G N 1.844 110.626 108.800 -0.029 0.000 2.160 77 G HA2 -0.264 3.696 3.960 0.001 0.000 0.251 77 G HA3 -0.264 3.696 3.960 0.001 0.000 0.251 77 G C 0.010 174.876 174.900 -0.057 0.000 1.008 77 G CA -0.063 45.011 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 4.934 4.340 0.001 0.000 0.272 78 R C 1.207 177.488 176.300 -0.032 0.000 0.995 78 R CA -0.129 55.949 56.100 -0.038 0.000 1.032 78 R CB 0.700 30.998 30.300 -0.005 0.000 1.126 78 R HN 0.458 nan 8.270 nan 0.000 0.505 79 N N -0.279 118.401 118.700 -0.033 0.000 2.218 79 N HA 0.159 4.900 4.740 0.001 0.000 0.224 79 N C -0.368 175.141 175.510 -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 4.566 4.170 0.001 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 7.039 127.564 120.570 -0.076 0.000 2.498 81 I HA 0.456 4.627 4.170 0.001 0.000 0.290 81 I C -1.210 174.665 176.117 -0.405 0.000 1.032 81 I CA -0.663 60.458 61.300 -0.297 0.000 1.073 81 I CB 1.885 39.597 38.000 -0.479 0.000 1.251 81 I HN 0.191 nan 8.210 nan 0.000 0.426 82 V N 7.956 127.625 119.914 -0.409 0.000 2.326 82 V HA 0.379 4.500 4.120 0.001 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 0.872 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 4.368 124.143 119.950 -0.291 0.000 2.382 83 F HA 0.611 5.139 4.527 0.001 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 -0.349 0.000 1.207 83 F HN 0.599 nan 8.300 nan 0.000 0.555 84 Y N -0.868 119.584 120.300 0.254 0.000 2.346 84 Y HA 0.714 5.265 4.550 0.001 0.000 0.332 84 Y C -0.355 175.668 175.900 0.204 0.000 0.985 84 Y CA -2.207 56.016 58.100 0.206 0.000 1.112 84 Y CB 0.913 39.444 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 4.406 3.960 0.001 0.000 0.327 85 G HA3 0.445 4.406 3.960 0.001 0.000 0.327 85 G C -0.958 174.087 174.900 0.241 0.000 1.008 85 G CA -0.448 44.808 45.100 0.261 0.000 1.136 85 G HN 0.732 nan 8.290 nan 0.000 0.444 86 S N 1.397 117.243 115.700 0.244 0.000 2.570 86 S HA 0.525 4.996 4.470 0.001 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 1.222 120.995 119.800 -0.044 0.000 2.581 87 Q HA 0.155 4.496 4.340 0.001 0.000 0.222 87 Q C 1.020 177.012 176.000 -0.014 0.000 0.904 87 Q CA 1.327 57.020 55.803 -0.183 0.000 0.923 87 Q CB -0.075 28.209 28.738 -0.757 0.000 1.117 87 Q HN 0.889 nan 8.270 nan 0.000 0.618 88 T N -2.068 112.513 114.554 0.045 0.000 3.258 88 T HA 0.436 4.787 4.350 0.001 0.000 0.263 88 T C 0.947 175.666 174.700 0.032 0.000 0.983 88 T CA 0.300 62.450 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 0.435 nan 8.240 nan 0.000 0.556 89 G N 1.108 109.906 108.800 -0.003 0.000 2.179 89 G HA2 -0.331 3.629 3.960 0.001 0.000 0.257 89 G HA3 -0.331 3.629 3.960 0.001 0.000 0.257 89 G C 0.745 175.537 174.900 -0.180 0.000 1.010 89 G CA 0.663 45.715 45.100 -0.081 0.000 0.736 89 G HN 0.559 nan 8.290 nan 0.000 0.513 90 T N 0.046 114.476 114.554 -0.207 0.000 2.939 90 T HA 0.315 4.665 4.350 0.001 0.000 0.254 90 T C 2.779 177.041 174.700 -0.731 0.000 1.041 90 T CA 1.679 63.500 62.100 -0.464 0.000 1.142 90 T CB -0.217 68.427 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 -0.349 0.000 1.972 91 A HA -0.120 4.200 4.320 0.001 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 -0.519 18.546 19.000 0.108 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 4.097 4.350 0.001 0.000 0.191 92 E C 1.979 178.379 176.600 -0.334 0.000 0.988 92 E CA 1.371 57.424 56.400 -0.579 0.000 0.799 92 E CB -0.152 29.065 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 4.146 4.350 0.001 0.000 0.197 93 E C 1.609 178.188 176.600 -0.035 0.000 0.997 93 E CA 1.482 57.771 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 4.753 4.527 0.001 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 -0.448 0.000 1.276 94 F CB -1.488 37.066 39.000 -0.743 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 4.027 4.320 0.001 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 -1.359 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 -1.060 117.690 118.700 0.083 0.000 2.142 96 N HA -0.119 4.622 4.740 0.001 0.000 0.186 96 N C 1.932 177.513 175.510 0.118 0.000 1.023 96 N CA 1.419 54.512 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 -0.241 120.366 120.500 0.178 0.000 2.092 97 R HA -0.021 4.319 4.340 0.001 0.000 0.231 97 R C 1.653 178.135 176.300 0.304 0.000 1.119 97 R CA 0.618 56.859 56.100 0.236 0.000 0.970 97 R CB -0.271 30.216 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 4.241 4.340 0.001 0.000 0.207 98 L C 2.108 179.275 176.870 0.494 0.000 1.078 98 L CA 1.901 57.036 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 0.282 0.000 2.561 99 S HA -0.123 4.348 4.470 0.001 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 0.515 120.926 120.400 0.018 0.000 2.361 100 K HA 0.095 4.416 4.320 0.001 0.000 0.194 100 K C 0.483 177.066 176.600 -0.028 0.000 1.032 100 K CA 0.496 56.721 56.287 -0.103 0.000 1.048 100 K CB 0.165 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 0.727 121.122 120.400 -0.007 0.000 2.183 101 D HA -0.030 4.610 4.640 0.001 0.000 0.205 101 D C 1.710 177.712 176.300 -0.496 0.000 0.962 101 D CA 0.914 54.778 54.000 -0.227 0.000 0.849 101 D CB 0.057 40.689 40.800 -0.280 0.000 0.978 101 D HN 0.252 nan 8.370 nan 0.000 0.488 102 A N 0.912 123.440 122.820 -0.486 0.000 1.902 102 A HA -0.218 4.103 4.320 0.001 0.000 0.217 102 A C 1.859 179.386 177.584 -0.095 0.000 1.181 102 A CA 1.261 53.027 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 -1.633 117.351 119.070 -0.143 0.000 2.431 103 H HA -0.105 4.452 4.556 0.001 0.000 0.297 103 H C 0.321 175.600 175.328 -0.082 0.000 1.115 103 H CA 1.357 57.354 56.048 -0.085 0.000 1.277 103 H CB 0.239 29.966 29.762 -0.058 0.000 1.372 103 H HN 0.138 nan 8.280 nan 0.000 0.516 104 R N -0.689 119.818 120.500 0.013 0.000 2.644 104 R HA 0.104 4.444 4.340 0.001 0.000 0.271 104 R C -1.535 174.712 176.300 -0.088 0.000 1.687 104 R CA -0.251 55.820 56.100 -0.049 0.000 1.655 104 R CB -0.192 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 -1.469 118.700 120.300 -0.218 0.000 3.159 105 Y HA 0.260 4.811 4.550 0.001 0.000 0.294 105 Y C 1.025 176.811 175.900 -0.190 0.000 1.027 105 Y CA 0.426 58.368 58.100 -0.262 0.000 1.298 105 Y CB 0.703 38.859 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 3.662 3.960 0.001 0.000 0.205 106 G HA3 -0.298 3.662 3.960 0.001 0.000 0.205 106 G C 0.535 175.399 174.900 -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 -0.062 0.000 1.774 107 M HA 0.670 5.150 4.480 0.001 0.000 0.176 107 M C 0.723 176.921 176.300 -0.171 0.000 1.202 107 M CA 0.103 55.346 55.300 -0.096 0.000 0.883 107 M CB 0.553 33.123 32.600 -0.049 0.000 1.104 107 M HN 0.425 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 4.863 4.340 0.001 0.000 0.278 108 R C -1.429 174.867 176.300 -0.007 0.000 1.150 108 R CA -0.267 55.628 56.100 -0.342 0.000 0.987 108 R CB 1.259 31.261 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 4.724 3.960 0.001 0.000 0.255 109 G HA3 0.763 4.724 3.960 0.001 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 5.057 4.480 0.001 0.000 0.287 110 M C -0.978 175.264 176.300 -0.097 0.000 1.181 110 M CA -0.824 54.459 55.300 -0.027 0.000 0.933 110 M CB 2.270 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 1.952 117.627 115.700 -0.041 0.000 2.457 111 S HA 0.926 5.397 4.470 0.001 0.000 0.289 111 S C -0.395 174.205 174.600 -0.000 0.000 1.163 111 S CA -0.189 58.011 58.200 0.000 0.000 1.078 111 S CB 1.397 64.685 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 4.969 4.320 0.001 0.000 0.317 112 A C -0.775 176.606 177.584 -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 -0.612 0.000 1.268 112 A HN 0.824 nan 8.150 nan 0.000 0.438 113 D N 2.580 122.866 120.400 -0.189 0.000 2.313 113 D HA 0.282 4.923 4.640 0.001 0.000 0.239 113 D C -1.450 174.888 176.300 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 0.204 nan 8.370 nan 0.000 0.480 114 P HA -0.141 nan 4.420 nan 0.000 0.225 114 P C 0.984 178.296 177.300 0.021 0.000 1.148 114 P CA 0.659 63.749 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 0.943 121.159 120.200 0.026 0.000 2.338 115 E HA -0.140 4.210 4.350 0.001 0.000 0.197 115 E C 1.347 177.939 176.600 -0.013 0.000 1.007 115 E CA 0.641 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 -1.269 118.896 120.200 -0.058 0.000 2.558 116 E HA 0.085 4.435 4.350 0.001 0.000 0.205 116 E C -0.748 175.617 176.600 -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 0.317 120.629 120.300 0.020 0.000 2.581 117 Y HA 0.325 4.875 4.550 0.001 0.000 0.345 117 Y C -0.603 175.290 175.900 -0.011 0.000 1.036 117 Y CA -1.529 56.612 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 1.831 122.345 120.400 0.189 0.000 2.428 118 D HA 0.164 4.804 4.640 0.001 0.000 0.221 118 D C 0.495 176.741 176.300 -0.091 0.000 1.123 118 D CA 0.028 54.012 54.000 -0.026 0.000 0.869 118 D CB 0.853 41.628 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 -0.050 4.291 4.340 0.001 0.000 0.229 119 L C 1.956 178.354 176.870 -0.786 0.000 1.158 119 L CA 0.697 55.197 54.840 -0.566 0.000 0.842 119 L CB -1.093 40.480 42.059 -0.810 0.000 0.952 119 L HN 0.460 nan 8.230 nan 0.000 0.452 120 A N -0.626 121.698 122.820 -0.826 0.000 2.067 120 A HA -0.168 4.152 4.320 0.001 0.000 0.219 120 A C 1.669 179.182 177.584 -0.118 0.000 1.158 120 A CA 1.100 52.857 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 0.034 120.358 120.400 -0.126 0.000 2.392 121 D HA -0.042 4.599 4.640 0.001 0.000 0.228 121 D C 1.587 177.849 176.300 -0.062 0.000 1.003 121 D CA 0.359 54.262 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 0.833 122.144 121.223 0.147 0.000 2.131 122 L HA -0.175 4.166 4.340 0.001 0.000 0.210 122 L C 2.474 179.455 176.870 0.186 0.000 1.092 122 L CA 1.093 56.099 54.840 0.276 0.000 0.759 122 L CB -0.435 41.814 42.059 0.318 0.000 0.903 122 L HN 0.080 nan 8.230 nan 0.000 0.435 123 S N -1.807 113.979 115.700 0.144 0.000 2.419 123 S HA -0.118 4.353 4.470 0.001 0.000 0.233 123 S C 1.837 176.481 174.600 0.072 0.000 1.016 123 S CA 1.225 59.497 58.200 0.120 0.000 0.974 123 S CB -0.231 63.039 63.200 0.118 0.000 0.786 123 S HN 0.328 nan 8.310 nan 0.000 0.492 124 S N 1.292 117.005 115.700 0.022 0.000 2.558 124 S HA 0.271 4.742 4.470 0.001 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 4.334 4.340 0.001 0.000 0.210 125 L C -1.143 175.781 176.870 0.089 0.000 1.073 125 L CA 1.981 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 0.119 nan 8.230 nan 0.000 0.431 126 P HA -0.182 nan 4.420 nan 0.000 0.234 126 P C 0.828 178.169 177.300 0.068 0.000 1.162 126 P CA 1.188 64.350 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 -0.353 119.873 120.200 0.043 0.000 2.347 127 E HA 0.008 4.358 4.350 0.001 0.000 0.196 127 E C 0.778 177.388 176.600 0.016 0.000 1.008 127 E CA 0.226 56.640 56.400 0.023 0.000 0.852 127 E CB -0.125 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 1.718 122.300 120.570 0.020 0.000 2.331 128 I HA 0.089 4.260 4.170 0.001 0.000 0.292 128 I C 0.022 176.142 176.117 0.005 0.000 0.998 128 I CA -0.849 60.454 61.300 0.005 0.000 1.267 128 I CB 1.062 39.064 38.000 0.003 0.000 1.386 128 I HN -0.160 nan 8.210 nan 0.000 0.476 129 D N 5.970 126.363 120.400 -0.011 0.000 2.382 129 D HA 0.075 4.715 4.640 0.001 0.000 0.245 129 D C 0.167 176.416 176.300 -0.085 0.000 1.120 129 D CA 0.391 54.382 54.000 -0.015 0.000 0.890 129 D CB 0.548 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 0.583 120.916 120.400 -0.111 0.000 3.129 130 K HA -0.155 4.166 4.320 0.001 0.000 0.273 130 K C -0.444 175.839 176.600 -0.528 0.000 1.123 130 K CA 0.668 56.659 56.287 -0.492 0.000 0.800 130 K CB -1.849 30.309 32.500 -0.570 0.000 1.238 130 K HN 0.546 nan 8.250 nan 0.000 0.492 131 S N 0.396 116.015 115.700 -0.135 0.000 2.565 131 S HA 0.553 5.024 4.470 0.001 0.000 0.276 131 S C -0.209 174.469 174.600 0.130 0.000 1.326 131 S CA -0.909 57.285 58.200 -0.009 0.000 1.045 131 S CB 1.953 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 5.085 4.340 0.001 0.000 0.265 132 L C -1.152 175.834 176.870 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 5.922 125.968 119.914 0.220 0.000 2.555 133 V HA 0.839 4.960 4.120 0.001 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 4.697 4.120 0.001 0.000 0.307 134 V C -0.938 175.092 176.094 -0.106 0.000 1.051 134 V CA -0.520 61.804 62.300 0.039 0.000 0.893 134 V CB 1.767 33.627 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 4.990 4.527 0.001 0.000 0.348 135 F C 0.222 176.167 175.800 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 40.629 39.000 0.314 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 0.416 0.000 2.184 136 C HA 0.541 5.001 4.460 0.001 0.000 0.328 136 C C -0.230 174.965 174.990 0.343 0.000 1.081 136 C CA -0.989 58.254 59.018 0.376 0.000 1.533 136 C CB -1.173 26.793 27.740 0.377 0.000 1.905 136 C HN 0.535 nan 8.230 nan 0.000 0.439 137 M N 2.763 122.522 119.600 0.265 0.000 2.336 137 M HA 0.578 5.059 4.480 0.001 0.000 0.342 137 M C 0.141 176.499 176.300 0.097 0.000 1.128 137 M CA -0.400 55.020 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 1.885 124.774 122.820 0.116 0.000 2.312 138 A HA 0.732 5.053 4.320 0.001 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 20.073 19.000 0.196 0.000 1.170 138 A HN 0.781 nan 8.150 nan 0.000 0.490 139 T N 0.805 115.334 114.554 -0.041 0.000 2.823 139 T HA 0.656 5.007 4.350 0.001 0.000 0.279 139 T C -1.410 173.191 174.700 -0.165 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 2.296 122.481 120.300 -0.193 0.000 2.545 140 Y HA 0.611 5.162 4.550 0.001 0.000 0.348 140 Y C 1.100 176.884 175.900 -0.193 0.000 1.002 140 Y CA 0.516 58.487 58.100 -0.216 0.000 1.039 140 Y CB 2.252 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 1.951 110.714 108.800 -0.061 0.000 2.720 141 G HA2 -0.297 3.664 3.960 0.001 0.000 0.293 141 G HA3 -0.297 3.664 3.960 0.001 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 -0.022 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 4.797 4.350 0.001 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 -0.231 0.000 1.265 142 E HN 1.911 nan 8.360 nan 0.000 0.438 143 G N 1.805 110.406 108.800 -0.331 0.000 2.182 143 G HA2 -0.208 3.753 3.960 0.001 0.000 0.248 143 G HA3 -0.208 3.753 3.960 0.001 0.000 0.248 143 G C -0.274 174.472 174.900 -0.256 0.000 1.042 143 G CA -0.140 44.818 45.100 -0.236 0.000 0.775 143 G HN 0.351 nan 8.290 nan 0.000 0.501 144 D N 0.563 120.820 120.400 -0.239 0.000 2.332 144 D HA 0.440 5.081 4.640 0.001 0.000 0.252 144 D C -1.998 174.132 176.300 -0.283 0.000 1.050 144 D CA -1.074 52.743 54.000 -0.304 0.000 0.970 144 D CB 2.035 42.716 40.800 -0.199 0.000 1.141 144 D HN 0.183 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 -0.034 0.000 2.868 146 T HA 0.106 4.457 4.350 0.001 0.000 0.292 146 T C 0.964 175.634 174.700 -0.050 0.000 1.028 146 T CA -0.362 61.688 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 4.420 4.640 0.001 0.000 0.190 147 D C 2.146 178.465 176.300 0.031 0.000 1.003 147 D CA 1.854 55.846 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 0.737 119.463 118.700 0.042 0.000 2.453 148 N HA -0.093 4.647 4.740 0.001 0.000 0.183 148 N C 1.195 176.761 175.510 0.094 0.000 1.041 148 N CA 1.235 54.325 53.050 0.067 0.000 0.900 148 N CB 0.005 38.539 38.487 0.080 0.000 0.961 148 N HN 0.142 nan 8.380 nan 0.000 0.443 149 A N -0.225 122.665 122.820 0.115 0.000 2.387 149 A HA 0.122 4.443 4.320 0.001 0.000 0.234 149 A C 2.009 179.714 177.584 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 4.133 4.340 0.001 0.000 0.204 150 Q C 1.081 177.205 176.000 0.206 0.000 0.986 150 Q CA 2.440 58.326 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 -0.747 119.766 120.400 0.189 0.000 2.218 151 D HA -0.125 4.515 4.640 0.001 0.000 0.204 151 D C 1.488 177.974 176.300 0.310 0.000 0.976 151 D CA 0.673 54.795 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 0.790 120.836 119.950 0.160 0.000 2.128 152 F HA -0.179 4.348 4.527 0.001 0.000 0.295 152 F C 2.147 178.133 175.800 0.311 0.000 1.100 152 F CA 0.753 58.875 58.000 0.203 0.000 1.260 152 F CB -0.970 38.085 39.000 0.092 0.000 1.009 152 F HN -0.091 nan 8.300 nan 0.000 0.476 153 Y N 1.707 121.958 120.300 -0.081 0.000 2.097 153 Y HA -0.261 4.290 4.550 0.001 0.000 0.282 153 Y C 2.309 178.161 175.900 -0.081 0.000 1.152 153 Y CA 2.422 60.407 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 -1.017 119.396 120.400 0.021 0.000 2.144 154 D HA -0.213 4.427 4.640 0.001 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 39.965 40.800 0.060 0.000 0.955 154 D HN 0.630 nan 8.370 nan 0.000 0.465 155 W N 1.500 122.763 121.300 -0.060 0.000 2.378 155 W HA -0.142 4.518 4.660 0.001 0.000 0.313 155 W C 1.995 178.465 176.519 -0.081 0.000 1.197 155 W CA 0.632 57.963 57.345 -0.022 0.000 1.304 155 W CB -0.657 28.849 29.460 0.076 0.000 1.148 155 W HN -0.087 nan 8.180 nan 0.000 0.494 156 L N 1.485 122.483 121.223 -0.376 0.000 2.042 156 L HA -0.246 4.094 4.340 0.001 0.000 0.210 156 L C 2.687 179.207 176.870 -0.583 0.000 1.076 156 L CA 2.570 56.961 54.840 -0.748 0.000 0.749 156 L CB -1.461 40.234 42.059 -0.608 0.000 0.893 156 L HN 0.305 nan 8.230 nan 0.000 0.432 157 Q N -0.582 118.959 119.800 -0.431 0.000 2.135 157 Q HA -0.184 4.156 4.340 0.001 0.000 0.204 157 Q C 0.490 176.320 176.000 -0.283 0.000 0.981 157 Q CA 1.841 57.445 55.803 -0.332 0.000 0.856 157 Q CB 0.154 28.586 28.738 -0.510 0.000 0.902 157 Q HN 0.600 nan 8.270 nan 0.000 0.425 158 E N -0.035 119.978 120.200 -0.311 0.000 3.729 158 E HA 0.133 4.483 4.350 0.001 0.000 0.195 158 E C -1.036 175.400 176.600 -0.273 0.000 1.005 158 E CA -0.182 56.074 56.400 -0.239 0.000 1.356 158 E CB 1.333 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 0.059 114.349 114.554 -0.440 0.000 2.936 159 T HA 0.187 4.537 4.350 0.001 0.000 0.282 159 T C -0.037 174.494 174.700 -0.281 0.000 1.003 159 T CA -0.434 61.400 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 4.682 4.640 0.001 0.000 0.246 160 D C 0.242 176.520 176.300 -0.037 0.000 1.347 160 D CA -0.239 53.703 54.000 -0.095 0.000 0.800 160 D CB -0.340 40.426 40.800 -0.057 0.000 1.111 160 D HN 0.350 nan 8.370 nan 0.000 0.508 161 V N 1.872 121.782 119.914 -0.006 0.000 2.450 161 V HA 0.038 4.159 4.120 0.001 0.000 0.281 161 V C -0.310 175.822 176.094 0.063 0.000 1.019 161 V CA 0.130 62.481 62.300 0.085 0.000 1.062 161 V CB 0.470 32.437 31.823 0.240 0.000 0.979 161 V HN 0.099 nan 8.190 nan 0.000 0.477 162 D N 5.716 126.152 120.400 0.060 0.000 2.348 162 D HA 0.113 4.754 4.640 0.001 0.000 0.259 162 D C 0.750 177.100 176.300 0.082 0.000 1.296 162 D CA 0.122 54.155 54.000 0.054 0.000 0.931 162 D CB 0.399 41.227 40.800 0.046 0.000 1.067 162 D HN 0.586 nan 8.370 nan 0.000 0.503 163 L N 3.276 124.551 121.223 0.088 0.000 2.715 163 L HA 0.147 4.487 4.340 0.001 0.000 0.238 163 L C 0.755 177.696 176.870 0.117 0.000 1.212 163 L CA -0.267 54.645 54.840 0.119 0.000 1.017 163 L CB -0.672 41.467 42.059 0.133 0.000 1.269 163 L HN 0.285 nan 8.230 nan 0.000 0.452 164 T N 0.780 115.394 114.554 0.099 0.000 2.934 164 T HA 0.244 4.595 4.350 0.001 0.000 0.306 164 T C 1.282 176.056 174.700 0.123 0.000 1.042 164 T CA 1.253 63.416 62.100 0.105 0.000 1.145 164 T CB 1.082 70.000 68.868 0.084 0.000 0.982 164 T HN 0.706 nan 8.240 nan 0.000 0.544 165 G N 2.244 111.131 108.800 0.144 0.000 2.279 165 G HA2 -0.247 3.713 3.960 0.001 0.000 0.223 165 G HA3 -0.247 3.713 3.960 0.001 0.000 0.223 165 G C 0.235 175.254 174.900 0.198 0.000 1.015 165 G CA -0.181 45.015 45.100 0.161 0.000 0.621 165 G HN 0.795 nan 8.290 nan 0.000 0.506 166 V N 1.938 121.975 119.914 0.205 0.000 2.521 166 V HA 0.440 4.560 4.120 0.001 0.000 0.286 166 V C 0.601 176.884 176.094 0.314 0.000 1.034 166 V CA 0.454 62.905 62.300 0.251 0.000 1.045 166 V CB 1.249 33.218 31.823 0.242 0.000 0.974 166 V HN 0.381 nan 8.190 nan 0.000 0.480 167 K N 5.406 126.008 120.400 0.336 0.000 2.159 167 K HA 0.735 5.056 4.320 0.001 0.000 0.266 167 K C -0.651 176.221 176.600 0.455 0.000 0.975 167 K CA -0.257 56.225 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 -0.312 119.751 119.950 0.189 0.000 2.685 168 F HA 0.863 5.390 4.527 0.001 0.000 0.315 168 F C -1.766 174.208 175.800 0.290 0.000 1.126 168 F CA -1.402 56.762 58.000 0.273 0.000 0.950 168 F CB 1.267 40.485 39.000 0.364 0.000 1.360 168 F HN 0.454 nan 8.300 nan 0.000 0.469 169 A N 1.487 124.518 122.820 0.350 0.000 2.513 169 A HA 0.718 5.039 4.320 0.001 0.000 0.296 169 A C -2.187 175.707 177.584 0.516 0.000 1.052 169 A CA -0.678 51.557 52.037 0.329 0.000 0.714 169 A CB 1.287 20.570 19.000 0.471 0.000 1.279 169 A HN 1.047 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 0.688 4.808 4.120 0.001 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 1.761 33.787 31.823 0.339 0.000 1.001 170 V HN 0.877 nan 8.190 nan 0.000 0.431 171 F N 2.694 122.453 119.950 -0.318 0.000 2.445 171 F HA 0.790 5.317 4.527 0.001 0.000 0.348 171 F C 0.491 176.152 175.800 -0.231 0.000 1.125 171 F CA -0.540 57.084 58.000 -0.627 0.000 0.983 171 F CB 1.225 39.684 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 4.499 3.960 0.001 0.000 0.283 172 G HA3 0.538 4.499 3.960 0.001 0.000 0.283 172 G C -1.656 172.821 174.900 -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 1.951 122.965 121.223 -0.347 0.000 2.305 173 L HA 0.763 5.103 4.340 0.001 0.000 0.284 173 L C 0.742 177.486 176.870 -0.210 0.000 1.013 173 L CA 0.163 54.886 54.840 -0.197 0.000 0.819 173 L CB 1.640 43.711 42.059 0.020 0.000 1.227 173 L HN 0.792 nan 8.230 nan 0.000 0.417 174 G N 1.589 110.277 108.800 -0.188 0.000 2.911 174 G HA2 0.498 4.458 3.960 0.001 0.000 0.299 174 G HA3 0.498 4.458 3.960 0.001 0.000 0.299 174 G C -1.707 173.271 174.900 0.129 0.000 1.283 174 G CA -0.370 44.641 45.100 -0.148 0.000 0.805 174 G HN 0.357 nan 8.290 nan 0.000 0.548 175 N N -0.693 118.216 118.700 0.347 0.000 2.578 175 N HA 0.185 4.926 4.740 0.001 0.000 0.282 175 N C 0.487 176.273 175.510 0.461 0.000 1.119 175 N CA -0.511 52.784 53.050 0.409 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 4.206 4.320 0.001 0.000 0.204 176 K C 1.401 177.966 176.600 -0.058 0.000 1.047 176 K CA 1.914 58.080 56.287 -0.203 0.000 0.935 176 K CB -0.016 32.213 32.500 -0.452 0.000 0.728 176 K HN 0.746 nan 8.250 nan 0.000 0.452 177 T N -1.426 113.102 114.554 -0.043 0.000 3.025 177 T HA -0.147 4.204 4.350 0.001 0.000 0.270 177 T C 0.502 175.007 174.700 -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 -0.297 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 5.043 4.550 0.001 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 -0.011 120.307 120.200 0.196 0.000 2.046 179 E HA -0.127 4.224 4.350 0.001 0.000 0.190 179 E C -0.087 176.477 176.600 -0.061 0.000 0.982 179 E CA 0.892 57.301 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 0.574 nan 8.360 nan 0.000 0.449 180 H N 0.350 119.492 119.070 0.119 0.000 2.640 180 H HA 0.035 4.592 4.556 0.001 0.000 0.220 180 H C -0.485 174.909 175.328 0.111 0.000 1.852 180 H CA -0.454 55.647 56.048 0.087 0.000 1.275 180 H CB -0.948 28.830 29.762 0.027 0.000 1.675 180 H HN 0.045 nan 8.280 nan 0.000 0.523 181 F N 3.510 123.494 119.950 0.056 0.000 2.546 181 F HA -0.099 4.428 4.527 0.001 0.000 0.388 181 F C 0.702 176.505 175.800 0.004 0.000 1.051 181 F CA -0.216 57.801 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 3.287 121.680 118.700 -0.511 0.000 2.721 182 N HA -0.260 4.480 4.740 0.001 0.000 0.249 182 N C 1.042 176.420 175.510 -0.220 0.000 1.072 182 N CA 0.826 53.574 53.050 -0.503 0.000 0.710 182 N CB -1.138 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 -0.329 122.438 122.820 -0.088 0.000 1.933 183 A HA -0.163 4.157 4.320 0.001 0.000 0.218 183 A C 2.252 179.833 177.584 -0.003 0.000 1.175 183 A CA 1.881 53.918 52.037 -0.000 0.000 0.628 183 A CB -0.217 18.820 19.000 0.062 0.000 0.814 183 A HN 0.347 nan 8.150 nan 0.000 0.444 184 M N 0.254 119.821 119.600 -0.055 0.000 2.064 184 M HA 0.018 4.499 4.480 0.001 0.000 0.260 184 M C 2.076 178.393 176.300 0.030 0.000 1.073 184 M CA 1.987 57.271 55.300 -0.026 0.000 1.124 184 M CB -1.329 31.229 32.600 -0.070 0.000 1.326 184 M HN 0.301 nan 8.290 nan 0.000 0.410 185 G N 0.054 108.830 108.800 -0.040 0.000 2.513 185 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 185 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 185 G C 1.635 176.528 174.900 -0.012 0.000 1.160 185 G CA 1.373 46.448 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 4.208 4.320 0.001 0.000 0.206 186 K C 2.188 178.828 176.600 0.067 0.000 1.048 186 K CA 1.195 57.492 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 1.421 121.706 120.300 -0.024 0.000 2.153 187 Y HA -0.200 4.350 4.550 0.001 0.000 0.289 187 Y C 2.032 177.888 175.900 -0.074 0.000 1.127 187 Y CA 0.907 58.993 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 -0.345 3.775 4.120 0.001 0.000 0.249 188 V C 2.402 178.333 176.094 -0.272 0.000 1.057 188 V CA 2.336 64.436 62.300 -0.333 0.000 1.032 188 V CB -0.820 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 -0.582 119.791 120.400 -0.046 0.000 2.092 189 D HA -0.222 4.419 4.640 0.001 0.000 0.193 189 D C 2.140 178.487 176.300 0.077 0.000 0.994 189 D CA 1.583 55.682 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 0.314 120.083 119.800 -0.052 0.000 2.079 190 Q HA -0.131 4.210 4.340 0.001 0.000 0.200 190 Q C 2.340 178.227 176.000 -0.189 0.000 0.974 190 Q CA 0.792 56.552 55.803 -0.073 0.000 0.840 190 Q CB -0.514 28.186 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 4.277 4.340 0.001 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 -0.896 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 0.362 121.312 121.223 -0.455 0.000 2.013 192 L HA -0.233 4.107 4.340 0.001 0.000 0.212 192 L C 2.594 179.287 176.870 -0.296 0.000 1.073 192 L CA 2.152 56.697 54.840 -0.492 0.000 0.753 192 L CB -0.636 40.795 42.059 -1.046 0.000 0.890 192 L HN 0.432 nan 8.230 nan 0.000 0.432 193 E N -0.124 119.987 120.200 -0.149 0.000 2.118 193 E HA -0.262 4.089 4.350 0.001 0.000 0.195 193 E C 2.179 178.776 176.600 -0.003 0.000 0.992 193 E CA 1.180 57.619 56.400 0.064 0.000 0.804 193 E CB 0.041 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 -0.069 0.000 2.224 194 Q HA -0.093 4.248 4.340 0.001 0.000 0.203 194 Q C 1.963 177.920 176.000 -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 -0.511 120.653 121.223 -0.097 0.000 2.612 195 L HA 0.113 4.454 4.340 0.001 0.000 0.230 195 L C 1.071 177.933 176.870 -0.014 0.000 1.140 195 L CA 0.423 55.217 54.840 -0.076 0.000 0.896 195 L CB -0.029 41.962 42.059 -0.112 0.000 1.065 195 L HN 0.416 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 3.709 3.960 0.001 0.000 0.236 196 G HA3 -0.252 3.709 3.960 0.001 0.000 0.236 196 G C 0.430 175.385 174.900 0.091 0.000 0.987 196 G CA -0.055 45.075 45.100 0.049 0.000 0.635 196 G HN 0.475 nan 8.290 nan 0.000 0.520 197 A N -0.163 122.714 122.820 0.094 0.000 2.332 197 A HA 0.703 5.023 4.320 0.001 0.000 0.258 197 A C 0.429 178.202 177.584 0.315 0.000 1.087 197 A CA 0.768 52.916 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 0.728 nan 8.150 nan 0.000 0.489 198 Q N 0.531 120.549 119.800 0.362 0.000 2.312 198 Q HA 0.405 4.745 4.340 0.001 0.000 0.263 198 Q C -0.424 175.658 176.000 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 29.878 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 4.495 4.340 0.001 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 -0.685 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 3.747 124.088 120.570 -0.383 0.000 3.081 200 I HA 0.156 4.327 4.170 0.001 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 0.798 120.623 119.950 -0.207 0.000 2.613 201 F HA 0.364 4.892 4.527 0.001 0.000 0.310 201 F C -0.264 175.538 175.800 0.003 0.000 1.085 201 F CA -1.345 56.594 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 0.090 nan 8.300 nan 0.000 0.455 202 E N 3.409 123.090 120.200 -0.866 0.000 2.437 202 E HA 0.208 4.558 4.350 0.001 0.000 0.263 202 E C -0.700 175.883 176.600 -0.029 0.000 1.030 202 E CA -0.569 55.550 56.400 -0.467 0.000 0.934 202 E CB 0.736 30.114 29.700 -0.537 0.000 0.943 202 E HN 0.571 nan 8.360 nan 0.000 0.444 203 L N 2.819 124.066 121.223 0.040 0.000 2.433 203 L HA 0.256 4.597 4.340 0.001 0.000 0.275 203 L C 0.268 177.160 176.870 0.037 0.000 1.128 203 L CA 0.424 55.320 54.840 0.094 0.000 0.875 203 L CB 0.232 42.308 42.059 0.028 0.000 1.171 203 L HN 0.642 nan 8.230 nan 0.000 0.463 204 G N 5.749 114.459 108.800 -0.151 0.000 2.432 204 G HA2 0.457 4.417 3.960 0.001 0.000 0.257 204 G HA3 0.457 4.417 3.960 0.001 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 2.963 124.017 121.223 -0.283 0.000 2.495 205 L HA 0.322 4.662 4.340 0.001 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 0.038 108.515 108.800 -0.539 0.000 2.491 206 G HA2 0.198 4.159 3.960 0.001 0.000 0.238 206 G HA3 0.198 4.159 3.960 0.001 0.000 0.238 206 G C -0.872 174.060 174.900 0.053 0.000 1.277 206 G CA 0.037 45.037 45.100 -0.166 0.000 0.851 206 G HN 0.481 nan 8.290 nan 0.000 0.573 207 D N 0.048 120.589 120.400 0.234 0.000 2.549 207 D HA 0.220 4.861 4.640 0.001 0.000 0.251 207 D C 0.414 176.854 176.300 0.234 0.000 1.153 207 D CA -0.658 53.541 54.000 0.331 0.000 0.861 207 D CB 1.797 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 4.522 4.640 0.001 0.000 0.211 208 D C 1.179 177.565 176.300 0.142 0.000 0.964 208 D CA 0.589 54.691 54.000 0.171 0.000 0.877 208 D CB 0.349 41.230 40.800 0.136 0.000 0.924 208 D HN 0.540 nan 8.370 nan 0.000 0.515 209 D N -0.981 119.499 120.400 0.133 0.000 2.117 209 D HA -0.047 4.594 4.640 0.001 0.000 0.198 209 D C 1.730 178.068 176.300 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 0.028 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 3.971 3.960 0.001 0.000 0.211 210 G HA3 0.010 3.971 3.960 0.001 0.000 0.211 210 G C 0.113 175.080 174.900 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 4.851 4.740 0.001 0.000 0.261 211 N C 0.521 176.181 175.510 0.249 0.000 1.216 211 N CA -0.462 52.700 53.050 0.188 0.000 0.784 211 N CB 1.895 40.493 38.487 0.185 0.000 1.327 211 N HN 0.097 nan 8.380 nan 0.000 0.539 212 L N 3.299 124.687 121.223 0.275 0.000 2.129 212 L HA -0.120 4.220 4.340 0.001 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 -0.333 41.959 42.059 0.389 0.000 0.896 212 L HN 0.633 nan 8.230 nan 0.000 0.434 213 E N -0.377 120.056 120.200 0.387 0.000 2.051 213 E HA -0.215 4.136 4.350 0.001 0.000 0.192 213 E C 2.006 178.791 176.600 0.308 0.000 0.991 213 E CA 1.574 58.194 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 0.327 120.711 120.200 0.308 0.000 2.208 214 E HA -0.111 4.240 4.350 0.001 0.000 0.193 214 E C 1.469 178.209 176.600 0.233 0.000 0.988 214 E CA 0.955 57.506 56.400 0.251 0.000 0.828 214 E CB -0.136 29.713 29.700 0.247 0.000 0.763 214 E HN 0.374 nan 8.360 nan 0.000 0.478 215 D N 0.062 120.634 120.400 0.287 0.000 2.123 215 D HA -0.106 4.535 4.640 0.001 0.000 0.200 215 D C 1.616 178.144 176.300 0.380 0.000 0.976 215 D CA 0.505 54.704 54.000 0.331 0.000 0.831 215 D CB -0.348 40.668 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 -0.050 4.477 4.527 0.001 0.000 0.296 216 F C 2.046 177.744 175.800 -0.171 0.000 1.111 216 F CA 1.042 58.839 58.000 -0.338 0.000 1.224 216 F CB -0.331 38.108 39.000 -0.936 0.000 0.991 216 F HN -0.144 nan 8.300 nan 0.000 0.471 217 I N -0.171 120.345 120.570 -0.090 0.000 2.248 217 I HA -0.370 3.801 4.170 0.001 0.000 0.248 217 I C 2.161 178.208 176.117 -0.115 0.000 1.107 217 I CA 1.816 63.036 61.300 -0.132 0.000 1.373 217 I CB -0.949 37.062 38.000 0.018 0.000 1.055 217 I HN 0.216 nan 8.210 nan 0.000 0.418 218 T N -0.609 113.949 114.554 0.008 0.000 2.732 218 T HA -0.218 4.133 4.350 0.001 0.000 0.261 218 T C 1.395 176.148 174.700 0.088 0.000 1.040 218 T CA 1.371 63.514 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 4.603 4.660 0.001 0.000 0.309 219 W C 2.581 178.957 176.519 -0.237 0.000 1.206 219 W CA 1.114 58.456 57.345 -0.005 0.000 1.284 219 W CB -0.213 29.293 29.460 0.076 0.000 1.145 219 W HN 0.019 nan 8.180 nan 0.000 0.502 220 R N 0.604 120.899 120.500 -0.343 0.000 2.127 220 R HA -0.216 4.125 4.340 0.001 0.000 0.238 220 R C 2.144 178.233 176.300 -0.352 0.000 1.134 220 R CA 1.942 57.703 56.100 -0.565 0.000 0.975 220 R CB -0.554 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 -0.142 119.918 120.200 -0.235 0.000 2.208 221 E HA -0.181 4.169 4.350 0.001 0.000 0.193 221 E C 1.585 178.086 176.600 -0.166 0.000 0.988 221 E CA 1.001 57.328 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 4.334 4.340 0.001 0.000 0.210 222 Q C 1.694 177.152 176.000 -0.903 0.000 0.913 222 Q CA 0.140 55.733 55.803 -0.352 0.000 0.911 222 Q CB 0.055 28.763 28.738 -0.051 0.000 1.040 222 Q HN 0.235 nan 8.270 nan 0.000 0.521 223 F N 0.368 119.396 119.950 -1.537 0.000 2.046 223 F HA -0.229 4.298 4.527 0.001 0.000 0.297 223 F C 1.452 176.526 175.800 -1.209 0.000 1.123 223 F CA 1.725 58.507 58.000 -2.030 0.000 1.199 223 F CB -0.469 37.217 39.000 -2.189 0.000 0.972 223 F HN 0.060 nan 8.300 nan 0.000 0.474 224 W N 0.638 121.387 121.300 -0.918 0.000 2.338 224 W HA -0.159 4.501 4.660 0.001 0.000 0.304 224 W C -0.390 175.734 176.519 -0.659 0.000 1.212 224 W CA 1.017 57.782 57.345 -0.965 0.000 1.264 224 W CB -2.018 26.795 29.460 -1.078 0.000 1.142 224 W HN 0.089 nan 8.180 nan 0.000 0.512 225 P HA -0.165 nan 4.420 nan 0.000 0.218 225 P C 1.390 178.596 177.300 -0.157 0.000 1.149 225 P CA 2.588 65.651 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 1.929 226 A HA -0.105 4.216 4.320 0.001 0.000 0.216 226 A C 2.232 179.630 177.584 -0.311 0.000 1.176 226 A CA 1.403 53.252 52.037 -0.313 0.000 0.628 226 A CB -1.553 17.200 19.000 -0.411 0.000 0.816 226 A HN 0.011 nan 8.150 nan 0.000 0.444 227 V N -0.768 118.853 119.914 -0.487 0.000 2.515 227 V HA -0.284 3.837 4.120 0.001 0.000 0.250 227 V C 2.523 178.631 176.094 0.024 0.000 1.058 227 V CA 1.892 64.009 62.300 -0.305 0.000 1.064 227 V CB -1.012 30.553 31.823 -0.430 0.000 0.675 227 V HN 0.715 nan 8.190 nan 0.000 0.461 228 C N -0.508 118.808 119.300 0.027 0.000 2.457 228 C HA -0.072 4.389 4.460 0.001 0.000 0.278 228 C C 2.641 177.685 174.990 0.090 0.000 1.309 228 C CA 0.445 59.540 59.018 0.128 0.000 1.735 228 C CB -0.766 27.077 27.740 0.172 0.000 1.992 228 C HN 0.595 nan 8.230 nan 0.000 0.493 229 E N 0.004 120.223 120.200 0.033 0.000 2.028 229 E HA -0.188 4.162 4.350 0.001 0.000 0.191 229 E C 1.871 178.479 176.600 0.013 0.000 0.988 229 E CA 1.164 57.575 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 0.386 120.224 119.950 -0.186 0.000 2.134 230 F HA -0.213 4.315 4.527 0.001 0.000 0.299 230 F C 1.785 177.428 175.800 -0.262 0.000 1.097 230 F CA 1.385 59.206 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 0.084 120.135 119.950 0.168 0.000 2.664 231 F HA 0.257 4.784 4.527 0.001 0.000 0.296 231 F C 2.243 178.048 175.800 0.007 0.000 1.125 231 F CA 0.691 58.742 58.000 0.084 0.000 1.444 231 F CB -0.664 38.416 39.000 0.134 0.000 1.114 231 F HN 0.151 nan 8.300 nan 0.000 0.576 232 G N 0.105 108.999 108.800 0.156 0.000 2.234 232 G HA2 -0.369 3.592 3.960 0.001 0.000 0.260 232 G HA3 -0.369 3.592 3.960 0.001 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 1.002 120.979 119.914 0.105 0.000 2.257 233 V HA -0.243 3.878 4.120 0.001 0.000 0.257 233 V C 1.158 177.276 176.094 0.041 0.000 1.077 233 V CA 3.788 66.127 62.300 0.065 0.000 1.063 233 V CB -0.433 31.436 31.823 0.077 0.000 0.664 233 V HN 1.895 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 4.268 4.350 0.001 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 -0.546 119.243 119.800 -0.017 0.000 1.921 244 Q HA 0.288 4.629 4.340 0.001 0.000 0.192 244 Q C -1.345 174.294 176.000 -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 29.618 28.738 -0.234 0.000 1.222 244 Q HN 0.477 nan 8.270 nan 0.000 0.417 245 Y N -0.256 120.046 120.300 0.003 0.000 2.581 245 Y HA 0.405 4.955 4.550 0.001 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 1.794 122.091 120.200 0.162 0.000 2.212 246 E HA 0.552 4.902 4.350 0.001 0.000 0.268 246 E C -1.909 174.744 176.600 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 31.566 29.700 0.056 0.000 1.172 246 E HN 0.582 nan 8.360 nan 0.000 0.409 247 L N 4.892 126.152 121.223 0.062 0.000 2.276 247 L HA 0.356 4.697 4.340 0.001 0.000 0.286 247 L C -1.436 175.430 176.870 -0.008 0.000 1.061 247 L CA -0.365 54.497 54.840 0.037 0.000 0.807 247 L CB 1.389 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 6.366 126.230 119.914 -0.084 0.000 2.327 248 V HA 0.272 4.392 4.120 0.001 0.000 0.272 248 V C -0.050 175.749 176.094 -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 33.052 31.823 -0.002 0.000 1.040 248 V HN 0.535 nan 8.190 nan 0.000 0.440 249 V N 3.971 123.710 119.914 -0.292 0.000 2.585 249 V HA 0.102 4.222 4.120 0.001 0.000 0.296 249 V C 0.334 176.247 176.094 -0.300 0.000 1.035 249 V CA 0.135 62.253 62.300 -0.302 0.000 1.084 249 V CB 0.145 31.912 31.823 -0.094 0.000 0.953 249 V HN 0.881 nan 8.190 nan 0.000 0.483 250 H N 3.233 122.292 119.070 -0.017 0.000 2.572 250 H HA 0.217 4.773 4.556 0.001 0.000 0.248 250 H C 0.934 176.257 175.328 -0.008 0.000 1.397 250 H CA -0.433 55.608 56.048 -0.012 0.000 1.319 250 H CB 0.475 30.226 29.762 -0.019 0.000 1.452 250 H HN 0.847 nan 8.280 nan 0.000 0.535 251 E N 0.511 120.764 120.200 0.089 0.000 2.033 251 E HA -0.224 4.127 4.350 0.001 0.000 0.199 251 E C 0.288 176.921 176.600 0.054 0.000 1.011 251 E CA 1.244 57.677 56.400 0.055 0.000 0.815 251 E CB 0.091 29.815 29.700 0.041 0.000 0.755 251 E HN 0.373 nan 8.360 nan 0.000 0.451 252 D N 0.272 120.705 120.400 0.056 0.000 2.396 252 D HA 0.372 5.012 4.640 0.001 0.000 0.225 252 D C -1.037 175.280 176.300 0.029 0.000 1.121 252 D CA -0.139 53.882 54.000 0.035 0.000 0.853 252 D CB 0.413 41.228 40.800 0.025 0.000 1.043 252 D HN 0.227 nan 8.370 nan 0.000 0.500 253 M N 3.528 123.139 119.600 0.020 0.000 2.366 253 M HA 0.124 4.604 4.480 0.001 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 -0.009 0.000 1.852 253 M HN 0.262 nan 8.290 nan 0.000 0.502 254 D N 4.770 125.158 120.400 -0.019 0.000 2.455 254 D HA 0.062 4.702 4.640 0.001 0.000 0.241 254 D C 1.328 177.615 176.300 -0.022 0.000 1.138 254 D CA -0.174 53.815 54.000 -0.020 0.000 0.877 254 D CB 1.231 42.016 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 3.993 4.120 0.001 0.000 0.256 255 V C 2.025 178.096 176.094 -0.039 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 4.465 4.320 0.001 0.000 0.207 256 A C 2.002 179.534 177.584 -0.087 0.000 1.194 256 A CA 1.037 53.035 52.037 -0.065 0.000 0.809 256 A CB -0.462 18.506 19.000 -0.054 0.000 0.814 256 A HN 0.614 nan 8.150 nan 0.000 0.482 257 K N -0.505 119.850 120.400 -0.075 0.000 2.447 257 K HA 0.318 4.639 4.320 0.001 0.000 0.205 257 K C -0.861 175.703 176.600 -0.061 0.000 1.059 257 K CA 0.100 56.338 56.287 -0.081 0.000 1.065 257 K CB 0.691 33.154 32.500 -0.062 0.000 0.885 257 K HN 0.175 nan 8.250 nan 0.000 0.545 258 V N 2.170 122.051 119.914 -0.054 0.000 2.435 258 V HA 0.271 4.392 4.120 0.001 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 0.810 32.645 31.823 0.019 0.000 0.983 258 V HN 0.068 nan 8.190 nan 0.000 0.445 259 Y N 2.639 122.923 120.300 -0.026 0.000 2.442 259 Y HA 0.232 4.783 4.550 0.001 0.000 0.330 259 Y C 1.643 177.522 175.900 -0.035 0.000 1.129 259 Y CA 0.196 58.283 58.100 -0.021 0.000 1.365 259 Y CB 1.124 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 4.762 4.350 0.001 0.000 0.271 260 T C 0.821 175.286 174.700 -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 -0.119 3.841 3.960 0.001 0.000 0.183 261 G HA3 -0.119 3.841 3.960 0.001 0.000 0.183 261 G C -0.309 174.270 174.900 -0.536 0.000 1.063 261 G CA -0.252 44.438 45.100 -0.684 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 5.152 4.350 0.001 0.000 0.253 262 E C 0.968 177.375 176.600 -0.321 0.000 1.175 262 E CA -1.004 54.772 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 -0.666 118.775 119.600 -0.265 0.000 2.470 263 M HA 0.238 4.718 4.480 0.001 0.000 0.262 263 M C 0.913 177.168 176.300 -0.075 0.000 1.211 263 M CA 0.808 56.022 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 0.420 109.207 108.800 -0.022 0.000 3.229 264 G HA2 0.274 4.235 3.960 0.001 0.000 0.165 264 G HA3 0.274 4.235 3.960 0.001 0.000 0.165 264 G C -0.106 174.873 174.900 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 -0.745 119.806 120.500 0.085 0.000 2.583 265 R HA 0.479 4.820 4.340 0.001 0.000 0.268 265 R C -0.043 176.211 176.300 -0.078 0.000 1.101 265 R CA -0.791 55.358 56.100 0.082 0.000 1.180 265 R CB 0.490 30.801 30.300 0.017 0.000 1.128 265 R HN 0.257 nan 8.270 nan 0.000 0.568 266 L N 1.643 122.682 121.223 -0.306 0.000 2.514 266 L HA -0.050 4.291 4.340 0.001 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 0.916 121.141 120.400 -0.292 0.000 3.035 267 K HA -0.198 4.122 4.320 0.001 0.000 0.262 267 K C 1.071 177.634 176.600 -0.062 0.000 1.024 267 K CA 0.946 57.148 56.287 -0.143 0.000 0.748 267 K CB -1.587 30.846 32.500 -0.111 0.000 1.247 267 K HN 0.801 nan 8.250 nan 0.000 0.482 268 S N -1.912 113.753 115.700 -0.060 0.000 2.458 268 S HA -0.027 4.444 4.470 0.001 0.000 0.223 268 S C 1.560 176.279 174.600 0.198 0.000 1.019 268 S CA 0.211 58.440 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 1.945 122.242 120.300 -0.006 0.000 2.561 269 Y HA 0.287 4.838 4.550 0.001 0.000 0.291 269 Y C 1.973 177.847 175.900 -0.045 0.000 1.141 269 Y CA 0.122 58.209 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 -0.421 119.849 120.200 0.117 0.000 2.152 270 E HA 0.035 4.386 4.350 0.001 0.000 0.195 270 E C 0.363 176.985 176.600 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 2.208 120.932 118.700 0.041 0.000 3.331 271 N HA 0.074 4.815 4.740 0.001 0.000 0.303 271 N C -0.781 174.781 175.510 0.087 0.000 1.326 271 N CA -0.124 52.952 53.050 0.044 0.000 1.207 271 N CB 0.316 38.814 38.487 0.018 0.000 1.477 271 N HN 0.067 nan 8.380 nan 0.000 0.541 272 Q N 1.614 121.489 119.800 0.126 0.000 2.244 272 Q HA 0.071 4.412 4.340 0.001 0.000 0.278 272 Q C -0.337 175.829 176.000 0.276 0.000 1.093 272 Q CA 0.772 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 4.582 125.051 120.400 0.115 0.000 2.463 273 K HA 0.410 4.730 4.320 0.001 0.000 0.255 273 K C -2.449 173.807 176.600 -0.572 0.000 0.942 273 K CA -1.847 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 0.148 nan 4.420 nan 0.000 0.270 274 P C -2.500 174.586 177.300 -0.357 0.000 1.223 274 P CA -1.047 61.663 63.100 -0.651 0.000 0.785 274 P CB -0.211 31.454 31.700 -0.057 0.000 0.923 275 P HA 0.363 nan 4.420 nan 0.000 0.281 275 P C -0.851 176.252 177.300 -0.330 0.000 1.249 275 P CA -0.124 62.856 63.100 -0.200 0.000 0.810 275 P CB 0.314 31.993 31.700 -0.035 0.000 1.008 276 F N 1.406 121.452 119.950 0.159 0.000 2.422 276 F HA 0.484 5.012 4.527 0.001 0.000 0.333 276 F C 0.933 176.830 175.800 0.162 0.000 1.095 276 F CA 0.160 58.278 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 4.921 4.640 0.001 0.000 0.344 277 D C 0.560 176.707 176.300 -0.254 0.000 1.365 277 D CA -0.349 53.683 54.000 0.052 0.000 0.910 277 D CB 0.698 41.501 40.800 0.005 0.000 1.445 277 D HN 0.494 nan 8.370 nan 0.000 0.532 278 A N -0.075 122.286 122.820 -0.765 0.000 1.958 278 A HA -0.256 4.065 4.320 0.001 0.000 0.221 278 A C 1.705 179.179 177.584 -0.182 0.000 1.178 278 A CA 2.490 53.961 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 -0.904 119.441 120.400 -0.092 0.000 2.284 279 K HA 0.096 4.416 4.320 0.001 0.000 0.198 279 K C 0.896 177.529 176.600 0.055 0.000 1.048 279 K CA 0.838 57.120 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 1.459 120.223 118.700 0.106 0.000 2.813 280 N HA 0.164 4.905 4.740 0.001 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 -0.428 177.142 177.300 0.451 0.000 1.204 281 P CA -0.114 63.322 63.100 0.560 0.000 0.768 281 P CB 0.591 32.707 31.700 0.694 0.000 0.842 282 F N 3.892 123.899 119.950 0.095 0.000 2.444 282 F HA 0.238 4.765 4.527 0.001 0.000 0.331 282 F C -0.007 175.644 175.800 -0.247 0.000 1.167 282 F CA -0.190 57.505 58.000 -0.507 0.000 1.262 282 F CB 0.539 39.091 39.000 -0.746 0.000 1.196 282 F HN 0.100 nan 8.300 nan 0.000 0.583 283 L N 5.075 125.738 121.223 -0.933 0.000 2.321 283 L HA 0.450 4.790 4.340 0.001 0.000 0.272 283 L C -0.163 176.519 176.870 -0.314 0.000 1.050 283 L CA -0.201 54.330 54.840 -0.516 0.000 0.893 283 L CB 0.306 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 5.145 4.320 0.001 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 0.617 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 4.870 4.320 0.001 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 0.359 19.337 19.000 -0.037 0.000 1.096 285 A HN 1.035 nan 8.150 nan 0.000 0.495 286 V N 3.747 123.590 119.914 -0.118 0.000 2.403 286 V HA 0.043 4.164 4.120 0.001 0.000 0.265 286 V C 1.314 177.342 176.094 -0.109 0.000 1.034 286 V CA 0.751 62.965 62.300 -0.142 0.000 1.036 286 V CB 0.017 31.727 31.823 -0.188 0.000 1.032 286 V HN 1.084 nan 8.190 nan 0.000 0.478 287 T N 3.574 118.067 114.554 -0.102 0.000 2.851 287 T HA 0.201 4.552 4.350 0.001 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 1.221 123.966 122.820 -0.126 0.000 2.486 288 A HA 0.713 5.034 4.320 0.001 0.000 0.300 288 A C -1.246 176.252 177.584 -0.143 0.000 1.048 288 A CA -0.741 51.229 52.037 -0.112 0.000 0.696 288 A CB 1.310 20.255 19.000 -0.093 0.000 1.278 288 A HN 0.116 nan 8.150 nan 0.000 0.405 289 N N 1.088 119.734 118.700 -0.091 0.000 2.621 289 N HA 0.314 5.054 4.740 0.001 0.000 0.271 289 N C -0.996 174.501 175.510 -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 -0.105 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 4.848 4.340 0.001 0.000 0.282 290 R C -0.589 175.706 176.300 -0.007 0.000 0.969 290 R CA -1.025 55.086 56.100 0.018 0.000 0.918 290 R CB 1.887 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 3.267 123.632 120.400 -0.059 0.000 2.310 291 K HA 0.119 4.440 4.320 0.001 0.000 0.290 291 K C 0.330 176.823 176.600 -0.178 0.000 1.077 291 K CA -0.276 55.892 56.287 -0.199 0.000 0.922 291 K CB 0.624 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 4.274 4.340 0.001 0.000 0.208 292 L C 0.808 177.579 176.870 -0.165 0.000 1.096 292 L CA 0.213 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 0.477 119.071 118.700 -0.177 0.000 2.359 293 N HA -0.108 4.633 4.740 0.001 0.000 0.261 293 N C 0.710 176.172 175.510 -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 4.563 4.340 0.001 0.000 0.206 294 Q C 1.220 177.219 176.000 -0.002 0.000 0.921 294 Q CA 0.579 56.374 55.803 -0.013 0.000 0.911 294 Q CB 0.451 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 -0.733 108.072 108.800 0.009 0.000 2.873 295 G HA2 0.174 4.135 3.960 0.001 0.000 0.170 295 G HA3 0.174 4.135 3.960 0.001 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 4.478 4.350 0.001 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 0.006 4.356 4.350 0.001 0.000 0.194 297 E C 1.062 177.701 176.600 0.064 0.000 0.994 297 E CA 1.239 57.669 56.400 0.049 0.000 0.801 297 E CB 0.250 29.977 29.700 0.045 0.000 0.743 297 E HN 0.478 nan 8.360 nan 0.000 0.453 298 R N -1.259 119.284 120.500 0.071 0.000 2.950 298 R HA 0.461 4.802 4.340 0.001 0.000 0.253 298 R C -0.663 175.710 176.300 0.122 0.000 1.168 298 R CA -0.707 55.450 56.100 0.096 0.000 1.014 298 R CB 1.522 31.874 30.300 0.086 0.000 1.228 298 R HN 0.030 nan 8.270 nan 0.000 0.487 299 H N 0.504 119.598 119.070 0.040 0.000 3.078 299 H HA 0.386 4.942 4.556 0.001 0.000 0.319 299 H C -1.653 173.694 175.328 0.032 0.000 0.995 299 H CA -0.475 55.590 56.048 0.028 0.000 1.417 299 H CB 0.596 30.370 29.762 0.020 0.000 1.598 299 H HN 0.181 nan 8.280 nan 0.000 0.515 300 L N 6.031 127.155 121.223 -0.165 0.000 2.322 300 L HA 0.476 4.816 4.340 0.001 0.000 0.281 300 L C -0.161 176.602 176.870 -0.177 0.000 1.014 300 L CA -0.494 54.309 54.840 -0.062 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 0.881 120.466 119.600 -0.024 0.000 2.716 301 M HA 0.587 5.068 4.480 0.001 0.000 0.307 301 M C -1.109 175.215 176.300 0.040 0.000 1.223 301 M CA -0.672 54.624 55.300 -0.006 0.000 0.871 301 M CB 2.439 35.101 32.600 0.103 0.000 1.739 301 M HN 0.597 nan 8.290 nan 0.000 0.475 302 H N 1.997 121.022 119.070 -0.076 0.000 3.013 302 H HA 0.570 5.127 4.556 0.001 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 4.181 125.103 121.223 -0.501 0.000 2.334 303 L HA 0.374 4.714 4.340 0.001 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 1.782 43.641 42.059 -0.333 0.000 1.268 303 L HN 0.595 nan 8.230 nan 0.000 0.428 304 E N 2.863 122.759 120.200 -0.506 0.000 2.207 304 E HA 0.429 4.780 4.350 0.001 0.000 0.250 304 E C -1.342 175.115 176.600 -0.239 0.000 0.890 304 E CA -0.790 55.322 56.400 -0.481 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 2.518 123.636 121.223 -0.175 0.000 2.292 305 L HA 0.235 4.576 4.340 0.001 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 0.816 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 3.167 123.551 120.400 -0.027 0.000 2.295 306 D HA 0.336 4.977 4.640 0.001 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 0.553 41.366 40.800 0.022 0.000 1.117 306 D HN 0.459 nan 8.370 nan 0.000 0.468 307 I N 0.967 121.484 120.570 -0.089 0.000 3.064 307 I HA 0.325 4.496 4.170 0.001 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 4.332 4.470 0.001 0.000 0.221 308 S C 0.851 175.441 174.600 -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 0.458 120.872 120.400 0.022 0.000 3.008 309 D HA 0.245 4.886 4.640 0.001 0.000 0.312 309 D C 0.426 176.802 176.300 0.127 0.000 1.361 309 D CA 0.098 54.149 54.000 0.084 0.000 0.858 309 D CB 0.617 41.500 40.800 0.138 0.000 1.098 309 D HN 0.409 nan 8.370 nan 0.000 0.482 310 S N 0.056 115.680 115.700 -0.126 0.000 2.503 310 S HA 0.002 4.473 4.470 0.001 0.000 0.215 310 S C 1.263 175.953 174.600 0.151 0.000 1.003 310 S CA -0.157 57.931 58.200 -0.186 0.000 0.910 310 S CB 0.587 63.092 63.200 -1.159 0.000 0.790 310 S HN 0.030 nan 8.310 nan 0.000 0.514 311 K N 0.035 120.474 120.400 0.066 0.000 3.547 311 K HA -0.125 4.195 4.320 0.001 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 2.069 122.669 120.570 0.048 0.000 2.648 312 I HA -0.052 4.119 4.170 0.001 0.000 0.284 312 I C 0.804 176.968 176.117 0.078 0.000 1.153 312 I CA 0.504 61.848 61.300 0.073 0.000 1.426 312 I CB 0.260 38.277 38.000 0.027 0.000 1.381 312 I HN -0.031 nan 8.210 nan 0.000 0.571 313 R N 6.032 126.589 120.500 0.096 0.000 2.494 313 R HA 0.539 4.880 4.340 0.001 0.000 0.305 313 R C -1.267 175.111 176.300 0.130 0.000 0.959 313 R CA -0.620 55.515 56.100 0.057 0.000 0.864 313 R CB 1.863 32.180 30.300 0.027 0.000 1.159 313 R HN 0.555 nan 8.270 nan 0.000 0.446 314 Y N -0.992 119.300 120.300 -0.014 0.000 2.615 314 Y HA 0.654 5.204 4.550 0.001 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 1.818 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 0.436 120.697 120.200 0.103 0.000 2.393 315 E HA 0.340 4.691 4.350 0.001 0.000 0.273 315 E C -1.299 175.394 176.600 0.155 0.000 0.918 315 E CA -1.000 55.383 56.400 -0.029 0.000 0.773 315 E CB 2.314 31.988 29.700 -0.044 0.000 1.275 315 E HN 0.735 nan 8.360 nan 0.000 0.451 316 S N 0.133 115.883 115.700 0.085 0.000 2.544 316 S HA 0.321 4.792 4.470 0.001 0.000 0.290 316 S C 1.098 175.879 174.600 0.303 0.000 1.276 316 S CA 1.053 59.377 58.200 0.206 0.000 1.075 316 S CB 0.177 63.483 63.200 0.177 0.000 0.849 316 S HN 0.807 nan 8.310 nan 0.000 0.494 317 G N 3.130 112.102 108.800 0.288 0.000 2.218 317 G HA2 -0.175 3.786 3.960 0.001 0.000 0.216 317 G HA3 -0.175 3.786 3.960 0.001 0.000 0.216 317 G C -0.246 174.642 174.900 -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 0.878 121.261 120.400 -0.028 0.000 2.358 318 D HA 0.473 5.113 4.640 0.001 0.000 0.244 318 D C 0.313 176.448 176.300 -0.276 0.000 1.163 318 D CA 0.079 54.002 54.000 -0.128 0.000 0.945 318 D CB 0.394 41.228 40.800 0.058 0.000 1.152 318 D HN 0.375 nan 8.370 nan 0.000 0.451 319 H N -0.591 118.497 119.070 0.029 0.000 2.567 319 H HA 0.479 5.035 4.556 0.001 0.000 0.345 319 H C -0.596 174.720 175.328 -0.021 0.000 1.169 319 H CA -0.734 55.309 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 0.014 nan 8.280 nan 0.000 0.534 320 V N 1.293 121.248 119.914 0.068 0.000 2.482 320 V HA 0.635 4.756 4.120 0.001 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 0.755 32.511 31.823 -0.112 0.000 1.001 320 V HN 0.967 nan 8.190 nan 0.000 0.424 321 A N 5.537 127.914 122.820 -0.738 0.000 2.286 321 A HA 0.860 5.181 4.320 0.001 0.000 0.286 321 A C -0.617 176.517 177.584 -0.750 0.000 1.097 321 A CA -0.455 50.874 52.037 -1.180 0.000 0.821 321 A CB 1.633 19.333 19.000 -2.166 0.000 1.076 321 A HN 1.304 nan 8.150 nan 0.000 0.490 322 V N 1.338 120.931 119.914 -0.535 0.000 2.733 322 V HA 0.347 4.468 4.120 0.001 0.000 0.306 322 V C -1.778 174.202 176.094 -0.190 0.000 1.084 322 V CA -0.393 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 7.467 127.800 120.300 0.054 0.000 2.477 323 Y HA 0.427 4.977 4.550 0.001 0.000 0.349 323 Y C -1.746 173.854 175.900 -0.501 0.000 0.977 323 Y CA -2.470 55.590 58.100 -0.067 0.000 1.214 323 Y CB 0.852 39.381 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 33.008 31.700 -0.551 0.000 1.101 325 A N 1.001 123.090 122.820 -1.219 0.000 2.353 325 A HA 0.367 4.688 4.320 0.001 0.000 0.299 325 A C 0.050 177.320 177.584 -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 1.429 119.877 118.700 -0.419 0.000 2.345 326 N HA -0.041 4.700 4.740 0.001 0.000 0.243 326 N C -0.324 175.056 175.510 -0.217 0.000 1.246 326 N CA 0.599 53.488 53.050 -0.267 0.000 0.863 326 N CB 0.619 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 0.220 120.535 120.400 -0.142 0.000 2.426 327 D HA -0.044 4.597 4.640 0.001 0.000 0.261 327 D C 1.272 177.503 176.300 -0.114 0.000 1.245 327 D CA -0.001 53.939 54.000 -0.100 0.000 0.917 327 D CB 0.525 41.278 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 4.157 4.470 0.001 0.000 0.233 328 S C 2.078 176.634 174.600 -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 1.811 124.592 122.820 -0.064 0.000 1.933 329 A HA 0.143 4.464 4.320 0.001 0.000 0.218 329 A C 2.335 179.877 177.584 -0.070 0.000 1.175 329 A CA 1.384 53.388 52.037 -0.056 0.000 0.628 329 A CB -0.772 18.199 19.000 -0.048 0.000 0.814 329 A HN 0.554 nan 8.150 nan 0.000 0.444 330 L N -0.690 120.475 121.223 -0.096 0.000 2.093 330 L HA -0.129 4.212 4.340 0.001 0.000 0.208 330 L C 2.518 179.314 176.870 -0.123 0.000 1.085 330 L CA 0.794 55.557 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 0.249 120.095 119.914 -0.112 0.000 2.295 331 V HA -0.276 3.845 4.120 0.001 0.000 0.246 331 V C 2.067 178.120 176.094 -0.068 0.000 1.049 331 V CA 1.990 64.232 62.300 -0.098 0.000 1.024 331 V CB -0.651 31.113 31.823 -0.099 0.000 0.648 331 V HN 0.506 nan 8.190 nan 0.000 0.447 332 N N -0.076 118.590 118.700 -0.056 0.000 2.309 332 N HA -0.156 4.584 4.740 0.001 0.000 0.182 332 N C 1.842 177.329 175.510 -0.038 0.000 1.018 332 N CA 1.041 54.069 53.050 -0.038 0.000 0.876 332 N CB -0.306 38.164 38.487 -0.029 0.000 0.972 332 N HN 0.581 nan 8.380 nan 0.000 0.434 333 Q N 0.080 119.852 119.800 -0.047 0.000 2.123 333 Q HA 0.080 4.421 4.340 0.001 0.000 0.199 333 Q C 1.893 177.867 176.000 -0.043 0.000 0.966 333 Q CA 0.668 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 0.227 120.761 120.570 -0.059 0.000 2.286 334 I HA -0.199 3.972 4.170 0.001 0.000 0.248 334 I C 2.261 178.343 176.117 -0.059 0.000 1.115 334 I CA 1.149 62.412 61.300 -0.061 0.000 1.392 334 I CB -0.513 37.440 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 3.781 3.960 0.001 0.000 0.215 335 G HA3 -0.179 3.781 3.960 0.001 0.000 0.215 335 G C 1.474 176.349 174.900 -0.042 0.000 1.174 335 G CA 0.381 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 4.193 4.350 0.001 0.000 0.202 336 E C 2.364 178.953 176.600 -0.020 0.000 1.018 336 E CA 1.064 57.452 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 0.691 121.250 120.570 -0.018 0.000 2.335 337 I HA -0.251 3.919 4.170 0.001 0.000 0.251 337 I C 1.801 177.909 176.117 -0.015 0.000 1.129 337 I CA 0.818 62.112 61.300 -0.009 0.000 1.402 337 I CB 0.188 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 4.583 4.340 0.001 0.000 0.228 338 L C 1.579 178.416 176.870 -0.055 0.000 1.133 338 L CA 1.096 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 -0.505 108.271 108.800 -0.040 0.000 2.203 339 G HA2 -0.252 3.709 3.960 0.001 0.000 0.263 339 G HA3 -0.252 3.709 3.960 0.001 0.000 0.263 339 G C 0.487 175.361 174.900 -0.044 0.000 1.012 339 G CA 0.411 45.491 45.100 -0.032 0.000 0.749 339 G HN 0.724 nan 8.290 nan 0.000 0.512 340 A N -0.443 122.336 122.820 -0.067 0.000 2.312 340 A HA 0.626 4.947 4.320 0.001 0.000 0.326 340 A C 0.019 177.576 177.584 -0.046 0.000 1.172 340 A CA -0.061 51.921 52.037 -0.092 0.000 0.821 340 A CB 0.952 19.839 19.000 -0.189 0.000 1.166 340 A HN 0.328 nan 8.150 nan 0.000 0.493 341 D N 1.874 122.270 120.400 -0.007 0.000 2.295 341 D HA 0.298 4.938 4.640 0.001 0.000 0.248 341 D C 0.515 176.890 176.300 0.125 0.000 1.154 341 D CA -0.347 53.683 54.000 0.051 0.000 0.857 341 D CB 0.932 41.774 40.800 0.070 0.000 1.117 341 D HN 0.182 nan 8.370 nan 0.000 0.468 342 L N 2.847 124.136 121.223 0.110 0.000 2.209 342 L HA 0.039 4.379 4.340 0.001 0.000 0.207 342 L C 1.081 178.063 176.870 0.186 0.000 1.094 342 L CA 0.994 55.940 54.840 0.177 0.000 0.790 342 L CB -0.307 41.806 42.059 0.090 0.000 0.932 342 L HN 0.448 nan 8.230 nan 0.000 0.447 343 D N 0.331 120.799 120.400 0.114 0.000 3.032 343 D HA 0.080 4.721 4.640 0.001 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 2.206 122.155 119.914 0.059 0.000 2.313 344 V HA 0.219 4.339 4.120 0.001 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 -0.010 0.000 0.823 344 V CB 1.498 33.384 31.823 0.105 0.000 1.010 344 V HN 0.145 nan 8.190 nan 0.000 0.443 345 I N 7.661 128.181 120.570 -0.083 0.000 2.662 345 I HA 0.166 4.336 4.170 0.001 0.000 0.285 345 I C 0.276 176.305 176.117 -0.147 0.000 1.161 345 I CA 0.707 61.966 61.300 -0.069 0.000 1.415 345 I CB 0.205 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 4.334 123.804 119.600 -0.218 0.000 3.213 346 M HA 0.694 5.175 4.480 0.001 0.000 0.278 346 M C -1.015 175.137 176.300 -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 5.265 4.470 0.001 0.000 0.271 347 S C -1.705 172.847 174.600 -0.080 0.000 1.143 347 S CA -0.787 57.328 58.200 -0.141 0.000 0.891 347 S CB 1.470 64.713 63.200 0.071 0.000 1.105 347 S HN 0.701 nan 8.310 nan 0.000 0.468 348 L N 3.707 124.871 121.223 -0.097 0.000 2.313 348 L HA 0.465 4.806 4.340 0.001 0.000 0.273 348 L C -0.432 176.583 176.870 0.242 0.000 1.028 348 L CA -0.621 54.221 54.840 0.004 0.000 0.871 348 L CB 0.718 42.650 42.059 -0.212 0.000 1.242 348 L HN 0.513 nan 8.230 nan 0.000 0.434 349 N N 2.975 121.829 118.700 0.255 0.000 2.434 349 N HA 0.067 4.808 4.740 0.001 0.000 0.272 349 N C -0.345 175.266 175.510 0.168 0.000 1.040 349 N CA -0.186 52.983 53.050 0.198 0.000 0.956 349 N CB 1.673 40.233 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 4.744 4.740 0.001 0.000 0.269 350 N C -0.919 174.487 175.510 -0.174 0.000 1.235 350 N CA -0.064 52.841 53.050 -0.241 0.000 0.934 350 N CB 0.461 38.789 38.487 -0.265 0.000 1.121 350 N HN 0.398 nan 8.380 nan 0.000 0.480 351 L N 3.658 124.778 121.223 -0.173 0.000 2.356 351 L HA 0.247 4.587 4.340 0.001 0.000 0.264 351 L C -0.822 175.995 176.870 -0.089 0.000 1.029 351 L CA -0.405 54.379 54.840 -0.094 0.000 0.897 351 L CB 0.894 42.929 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 4.704 4.640 0.001 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 0.772 41.531 40.800 -0.069 0.000 1.319 352 D HN 0.165 nan 8.370 nan 0.000 0.528 353 E N 0.859 121.032 120.200 -0.045 0.000 2.312 353 E HA -0.250 4.100 4.350 0.001 0.000 0.209 353 E C 0.643 177.224 176.600 -0.032 0.000 1.047 353 E CA 1.214 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 0.118 4.468 4.350 0.001 0.000 0.188 354 E C -0.528 176.067 176.600 -0.010 0.000 1.061 354 E CA -0.211 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 0.999 116.685 115.700 -0.023 0.000 2.593 355 S HA 0.131 4.602 4.470 0.001 0.000 0.297 355 S C 0.774 175.363 174.600 -0.017 0.000 1.112 355 S CA -0.930 57.261 58.200 -0.015 0.000 1.043 355 S CB 0.999 64.174 63.200 -0.040 0.000 1.054 355 S HN 0.350 nan 8.310 nan 0.000 0.516 356 N N 1.127 119.833 118.700 0.010 0.000 2.336 356 N HA -0.069 4.672 4.740 0.001 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 0.005 0.000 0.858 356 N CB -0.032 38.473 38.487 0.031 0.000 0.970 356 N HN 0.612 nan 8.380 nan 0.000 0.471 357 K N 0.852 121.253 120.400 0.001 0.000 2.403 357 K HA 0.319 4.639 4.320 0.001 0.000 0.235 357 K C 0.335 176.918 176.600 -0.028 0.000 1.142 357 K CA -0.737 55.557 56.287 0.011 0.000 1.114 357 K CB 1.200 33.733 32.500 0.054 0.000 1.777 357 K HN -0.280 nan 8.250 nan 0.000 0.424 358 K N 1.169 121.497 120.400 -0.120 0.000 2.148 358 K HA -0.025 4.296 4.320 0.001 0.000 0.204 358 K C -0.069 176.252 176.600 -0.465 0.000 1.050 358 K CA 1.287 57.379 56.287 -0.325 0.000 0.942 358 K CB -0.076 32.141 32.500 -0.472 0.000 0.724 358 K HN 0.649 nan 8.250 nan 0.000 0.446 359 H N -1.686 117.383 119.070 -0.002 0.000 2.895 359 H HA 0.135 4.692 4.556 0.001 0.000 0.373 359 H C -1.832 173.314 175.328 -0.303 0.000 1.174 359 H CA -1.589 54.354 56.048 -0.177 0.000 1.144 359 H CB 2.280 31.843 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 -0.576 176.585 177.300 -0.230 0.000 1.153 360 P CA 1.112 63.924 63.100 -0.481 0.000 0.798 360 P CB 0.533 31.783 31.700 -0.751 0.000 0.796 361 F N -4.278 115.505 119.950 -0.278 0.000 2.703 361 F HA 0.633 5.161 4.527 0.001 0.000 0.308 361 F C -3.236 172.209 175.800 -0.592 0.000 1.126 361 F CA -3.536 54.191 58.000 -0.454 0.000 0.959 361 F CB -0.544 38.196 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 -0.791 176.107 177.300 -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 5.008 4.460 0.001 0.000 0.307 363 C C -2.248 172.588 174.990 -0.257 0.000 1.222 363 C CA -1.635 57.086 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 0.510 nan 4.420 nan 0.000 0.274 364 P C -0.515 176.842 177.300 0.095 0.000 1.231 364 P CA 0.267 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 -0.607 113.985 114.554 0.064 0.000 2.775 365 T HA 0.449 4.800 4.350 0.001 0.000 0.320 365 T C -0.843 173.856 174.700 -0.002 0.000 1.597 365 T CA -0.506 61.651 62.100 0.096 0.000 1.022 365 T CB 0.433 69.434 68.868 0.222 0.000 1.485 365 T HN 0.481 nan 8.240 nan 0.000 0.494 366 T N 0.910 115.460 114.554 -0.008 0.000 2.788 366 T HA 0.378 4.728 4.350 0.001 0.000 0.287 366 T C 0.862 175.518 174.700 -0.073 0.000 1.007 366 T CA -0.179 61.873 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 -0.089 120.239 120.300 0.047 0.000 2.242 367 Y HA 0.065 4.615 4.550 0.001 0.000 0.291 367 Y C 2.949 178.840 175.900 -0.016 0.000 1.137 367 Y CA 0.991 59.105 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 4.178 4.340 0.001 0.000 0.233 368 R C 1.972 178.293 176.300 0.035 0.000 1.137 368 R CA 2.221 58.359 56.100 0.064 0.000 0.945 368 R CB -0.562 29.772 30.300 0.057 0.000 0.845 368 R HN 0.198 nan 8.270 nan 0.000 0.430 369 T N 0.834 115.417 114.554 0.047 0.000 2.803 369 T HA -0.129 4.222 4.350 0.001 0.000 0.269 369 T C 1.715 176.386 174.700 -0.049 0.000 1.052 369 T CA 1.242 63.371 62.100 0.047 0.000 1.136 369 T CB -0.265 68.603 68.868 0.001 0.000 0.864 369 T HN 0.492 nan 8.240 nan 0.000 0.467 370 A N 1.676 124.460 122.820 -0.060 0.000 1.828 370 A HA -0.002 4.319 4.320 0.001 0.000 0.215 370 A C 2.123 179.561 177.584 -0.244 0.000 1.203 370 A CA 1.155 53.052 52.037 -0.234 0.000 0.614 370 A CB -0.985 17.778 19.000 -0.396 0.000 0.844 370 A HN 0.335 nan 8.150 nan 0.000 0.445 371 L N 0.243 121.368 121.223 -0.162 0.000 2.189 371 L HA -0.143 4.197 4.340 0.001 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 -1.311 40.693 42.059 -0.093 0.000 0.900 371 L HN 0.455 nan 8.230 nan 0.000 0.436 372 T N -2.662 111.775 114.554 -0.196 0.000 2.976 372 T HA -0.049 4.302 4.350 0.001 0.000 0.257 372 T C 1.146 175.508 174.700 -0.563 0.000 1.051 372 T CA 1.082 62.964 62.100 -0.363 0.000 1.141 372 T CB -0.064 68.576 68.868 -0.379 0.000 0.881 372 T HN 0.240 nan 8.240 nan 0.000 0.461 373 Y N -1.928 118.146 120.300 -0.378 0.000 2.432 373 Y HA 0.377 4.928 4.550 0.001 0.000 0.252 373 Y C 1.115 176.793 175.900 -0.369 0.000 1.097 373 Y CA -0.735 57.100 58.100 -0.441 0.000 1.250 373 Y CB 0.519 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 4.943 4.550 0.001 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 0.316 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 0.329 121.500 121.223 -0.087 0.000 2.334 375 L HA 0.340 4.681 4.340 0.001 0.000 0.270 375 L C -0.186 176.643 176.870 -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 -0.149 0.000 1.271 375 L HN -0.082 nan 8.230 nan 0.000 0.443 376 D N 2.725 123.105 120.400 -0.034 0.000 2.380 376 D HA 0.210 4.850 4.640 0.001 0.000 0.230 376 D C 0.397 176.680 176.300 -0.029 0.000 1.154 376 D CA -0.230 53.755 54.000 -0.024 0.000 0.859 376 D CB 1.132 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 1.247 121.781 120.570 -0.061 0.000 3.974 377 I HA 0.146 4.316 4.170 0.001 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 0.449 38.369 38.000 -0.133 0.000 1.063 377 I HN 0.152 nan 8.210 nan 0.000 0.400 378 T N -2.539 112.002 114.554 -0.021 0.000 3.085 378 T HA 0.236 4.586 4.350 0.001 0.000 0.241 378 T C 0.838 175.618 174.700 0.133 0.000 0.988 378 T CA -0.080 62.051 62.100 0.052 0.000 1.117 378 T CB -0.509 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 3.704 122.460 118.700 0.093 0.000 2.407 379 N HA 0.279 5.020 4.740 0.001 0.000 0.250 379 N C -2.777 172.800 175.510 0.112 0.000 1.236 379 N CA -1.356 51.754 53.050 0.100 0.000 0.879 379 N CB 0.025 38.562 38.487 0.084 0.000 1.088 379 N HN 0.280 nan 8.380 nan 0.000 0.450 380 P HA 0.099 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 -0.479 62.682 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 0.583 121.243 120.500 0.267 0.000 2.553 382 R HA 0.277 4.617 4.340 0.001 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 30.400 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 4.103 4.350 0.001 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 -0.482 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 1.354 120.134 118.700 0.134 0.000 2.120 384 N HA -0.115 4.626 4.740 0.001 0.000 0.188 384 N C 1.946 177.570 175.510 0.189 0.000 1.024 384 N CA 1.405 54.556 53.050 0.167 0.000 0.852 384 N CB -0.593 37.994 38.487 0.166 0.000 1.003 384 N HN 0.383 nan 8.380 nan 0.000 0.424 385 V N 0.044 120.054 119.914 0.160 0.000 2.453 385 V HA -0.007 4.114 4.120 0.001 0.000 0.247 385 V C 1.897 178.076 176.094 0.142 0.000 1.048 385 V CA 1.078 63.457 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 0.170 0.000 2.141 386 L HA -0.106 4.234 4.340 0.001 0.000 0.209 386 L C 2.583 179.529 176.870 0.128 0.000 1.094 386 L CA 2.258 57.200 54.840 0.169 0.000 0.763 386 L CB -0.627 41.554 42.059 0.204 0.000 0.908 386 L HN 0.456 nan 8.230 nan 0.000 0.437 387 Y N 0.735 121.076 120.300 0.069 0.000 2.263 387 Y HA -0.192 4.359 4.550 0.001 0.000 0.292 387 Y C 2.660 178.597 175.900 0.061 0.000 1.130 387 Y CA 1.329 59.480 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 0.150 120.479 120.200 0.214 0.000 2.072 388 E HA -0.137 4.214 4.350 0.001 0.000 0.190 388 E C 2.151 178.781 176.600 0.049 0.000 0.982 388 E CA 1.062 57.550 56.400 0.148 0.000 0.803 388 E CB -0.447 29.331 29.700 0.130 0.000 0.755 388 E HN 0.512 nan 8.360 nan 0.000 0.453 389 L N 0.630 121.897 121.223 0.073 0.000 2.465 389 L HA -0.004 4.336 4.340 0.001 0.000 0.224 389 L C 2.322 179.214 176.870 0.036 0.000 1.145 389 L CA 0.413 55.377 54.840 0.206 0.000 0.834 389 L CB -0.448 41.709 42.059 0.163 0.000 0.944 389 L HN 0.021 nan 8.230 nan 0.000 0.451 390 A N 0.818 123.510 122.820 -0.214 0.000 2.024 390 A HA -0.246 4.075 4.320 0.001 0.000 0.220 390 A C 2.303 179.637 177.584 -0.418 0.000 1.164 390 A CA 1.673 53.428 52.037 -0.470 0.000 0.643 390 A CB -0.414 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 -2.004 117.551 119.800 -0.408 0.000 2.291 391 Q HA -0.146 4.195 4.340 0.001 0.000 0.205 391 Q C 1.002 176.738 176.000 -0.441 0.000 0.970 391 Q CA 1.408 56.955 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 1.024 121.296 120.300 -0.046 0.000 2.490 392 Y HA 0.379 4.930 4.550 0.001 0.000 0.281 392 Y C 0.797 176.673 175.900 -0.041 0.000 1.174 392 Y CA -0.226 57.860 58.100 -0.022 0.000 1.295 392 Y CB 0.186 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 0.293 123.112 122.820 -0.001 0.000 2.269 393 A HA 0.392 4.712 4.320 0.001 0.000 0.302 393 A C 1.349 178.903 177.584 -0.051 0.000 1.266 393 A CA 0.146 52.158 52.037 -0.042 0.000 0.894 393 A CB 0.272 19.186 19.000 -0.144 0.000 1.147 393 A HN 0.364 nan 8.150 nan 0.000 0.537 394 S N 2.070 117.758 115.700 -0.019 0.000 2.387 394 S HA -0.037 4.433 4.470 0.001 0.000 0.226 394 S C 0.484 175.058 174.600 -0.043 0.000 1.026 394 S CA 0.595 58.782 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 3.193 123.361 120.200 -0.054 0.000 2.257 395 E HA 0.201 4.551 4.350 0.001 0.000 0.278 395 E C -1.564 174.967 176.600 -0.115 0.000 1.049 395 E CA -2.426 53.932 56.400 -0.070 0.000 0.876 395 E CB 0.893 30.557 29.700 -0.060 0.000 1.035 395 E HN 0.300 nan 8.360 nan 0.000 0.419 396 P HA -0.202 nan 4.420 nan 0.000 0.216 396 P C 1.155 178.343 177.300 -0.188 0.000 1.150 396 P CA 1.307 64.333 63.100 -0.124 0.000 0.837 396 P CB 0.288 31.934 31.700 -0.091 0.000 0.786 397 S N 0.681 116.262 115.700 -0.199 0.000 2.359 397 S HA -0.194 4.276 4.470 0.001 0.000 0.224 397 S C 1.984 176.297 174.600 -0.478 0.000 1.035 397 S CA 1.247 59.266 58.200 -0.301 0.000 1.018 397 S CB -1.251 61.835 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 4.232 4.350 0.001 0.000 0.190 398 E C 2.366 178.665 176.600 -0.501 0.000 0.979 398 E CA 0.767 56.839 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 0.976 120.565 119.800 -0.350 0.000 2.096 399 Q HA -0.227 4.114 4.340 0.001 0.000 0.204 399 Q C 1.929 177.745 176.000 -0.307 0.000 0.982 399 Q CA 1.284 56.897 55.803 -0.318 0.000 0.850 399 Q CB 0.179 28.787 28.738 -0.217 0.000 0.901 399 Q HN 0.095 nan 8.270 nan 0.000 0.422 400 E N -0.385 119.668 120.200 -0.245 0.000 2.150 400 E HA -0.163 4.188 4.350 0.001 0.000 0.193 400 E C 1.749 178.286 176.600 -0.105 0.000 0.985 400 E CA 1.094 57.406 56.400 -0.147 0.000 0.814 400 E CB -0.200 29.392 29.700 -0.180 0.000 0.752 400 E HN 0.624 nan 8.360 nan 0.000 0.466 401 H N 0.084 119.051 119.070 -0.171 0.000 2.389 401 H HA 0.012 4.569 4.556 0.001 0.000 0.299 401 H C 2.261 177.541 175.328 -0.080 0.000 1.081 401 H CA 0.746 56.712 56.048 -0.136 0.000 1.345 401 H CB 0.156 29.788 29.762 -0.218 0.000 1.393 401 H HN 0.039 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 4.140 4.340 0.001 0.000 0.208 402 L C 2.238 179.058 176.870 -0.083 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 0.318 119.290 119.070 -0.164 0.000 2.462 403 H HA -0.040 4.517 4.556 0.001 0.000 0.292 403 H C 2.042 177.431 175.328 0.101 0.000 1.049 403 H CA 0.958 56.853 56.048 -0.255 0.000 1.334 403 H CB 0.233 29.812 29.762 -0.305 0.000 1.404 403 H HN 0.303 nan 8.280 nan 0.000 0.544 404 K N -0.170 120.355 120.400 0.209 0.000 2.262 404 K HA 0.066 4.386 4.320 0.001 0.000 0.200 404 K C 1.940 178.653 176.600 0.188 0.000 1.049 404 K CA 0.159 56.563 56.287 0.194 0.000 0.979 404 K CB 0.204 32.802 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 4.382 4.480 0.001 0.000 0.261 405 M C 1.913 178.252 176.300 0.065 0.000 1.069 405 M CA 0.932 56.337 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 4.417 4.320 0.001 0.000 0.209 406 A C 1.022 178.638 177.584 0.053 0.000 1.161 406 A CA 0.117 52.205 52.037 0.084 0.000 0.782 406 A CB -0.208 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 0.795 116.551 115.700 0.093 0.000 2.562 407 S HA 0.195 4.666 4.470 0.001 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 0.638 116.376 115.700 0.063 0.000 2.593 408 S HA 0.235 4.706 4.470 0.001 0.000 0.217 408 S C 0.444 175.096 174.600 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 62.869 63.200 0.054 0.000 0.776 408 S HN 0.819 nan 8.310 nan 0.000 0.523 409 S N -1.439 114.311 115.700 0.085 0.000 2.615 409 S HA 0.738 5.209 4.470 0.001 0.000 0.268 409 S C 0.043 174.692 174.600 0.081 0.000 1.146 409 S CA -0.368 57.881 58.200 0.083 0.000 0.818 409 S CB 0.799 64.040 63.200 0.068 0.000 1.111 409 S HN 1.759 nan 8.310 nan 0.000 0.465 410 G N 0.945 109.791 108.800 0.076 0.000 2.698 410 G HA2 -0.072 3.888 3.960 0.001 0.000 0.225 410 G HA3 -0.072 3.888 3.960 0.001 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 0.462 120.707 120.200 0.075 0.000 2.268 411 E HA -0.055 4.295 4.350 0.001 0.000 0.195 411 E C 2.590 179.246 176.600 0.092 0.000 0.995 411 E CA 1.647 58.092 56.400 0.075 0.000 0.836 411 E CB -0.649 29.089 29.700 0.062 0.000 0.763 411 E HN 0.778 nan 8.360 nan 0.000 0.491 412 G N 1.259 110.124 108.800 0.108 0.000 2.402 412 G HA2 -0.277 3.684 3.960 0.001 0.000 0.216 412 G HA3 -0.277 3.684 3.960 0.001 0.000 0.216 412 G C 1.626 176.626 174.900 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 4.290 4.320 0.001 0.000 0.204 413 K C 2.302 179.026 176.600 0.206 0.000 1.052 413 K CA 1.301 57.706 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 0.675 120.963 120.200 0.146 0.000 2.072 414 E HA -0.149 4.202 4.350 0.001 0.000 0.191 414 E C 1.741 178.417 176.600 0.127 0.000 0.985 414 E CA 0.757 57.228 56.400 0.119 0.000 0.801 414 E CB -0.085 29.665 29.700 0.085 0.000 0.750 414 E HN 0.225 nan 8.360 nan 0.000 0.452 415 L N -0.281 121.020 121.223 0.129 0.000 2.093 415 L HA -0.113 4.228 4.340 0.001 0.000 0.208 415 L C 2.018 179.035 176.870 0.245 0.000 1.085 415 L CA 1.518 56.431 54.840 0.121 0.000 0.755 415 L CB -0.587 41.476 42.059 0.006 0.000 0.904 415 L HN 0.232 nan 8.230 nan 0.000 0.435 416 Y N -0.086 120.306 120.300 0.154 0.000 2.089 416 Y HA -0.229 4.322 4.550 0.001 0.000 0.282 416 Y C 2.187 178.191 175.900 0.174 0.000 1.139 416 Y CA 2.038 60.253 58.100 0.191 0.000 1.123 416 Y CB -0.573 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 -0.701 120.525 121.223 0.004 0.000 2.127 417 L HA -0.246 4.095 4.340 0.001 0.000 0.211 417 L C 2.391 179.233 176.870 -0.047 0.000 1.089 417 L CA 1.538 56.316 54.840 -0.102 0.000 0.757 417 L CB -0.666 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 -1.492 114.236 115.700 0.047 0.000 2.327 418 S HA -0.140 4.330 4.470 0.001 0.000 0.213 418 S C 1.470 176.132 174.600 0.104 0.000 1.032 418 S CA 0.539 58.782 58.200 0.072 0.000 0.960 418 S CB -0.464 62.799 63.200 0.104 0.000 0.900 418 S HN 0.470 nan 8.310 nan 0.000 0.469 419 W N 2.014 123.286 121.300 -0.046 0.000 2.465 419 W HA 0.009 4.669 4.660 0.001 0.000 0.268 419 W C 1.648 178.125 176.519 -0.069 0.000 1.242 419 W CA 0.760 58.071 57.345 -0.057 0.000 1.248 419 W CB -0.010 29.422 29.460 -0.047 0.000 1.118 419 W HN 0.014 nan 8.180 nan 0.000 0.587 420 V N -2.073 117.879 119.914 0.064 0.000 3.050 420 V HA -0.104 4.016 4.120 0.001 0.000 0.223 420 V C 1.797 177.797 176.094 -0.158 0.000 1.162 420 V CA 0.944 63.207 62.300 -0.063 0.000 1.247 420 V CB -0.867 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 0.289 120.034 119.914 -0.282 0.000 2.219 421 V HA -0.261 3.860 4.120 0.001 0.000 0.248 421 V C 2.581 178.606 176.094 -0.115 0.000 1.053 421 V CA 2.344 64.511 62.300 -0.221 0.000 1.009 421 V CB -0.699 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 0.077 120.218 120.200 -0.098 0.000 2.077 422 E HA -0.172 4.179 4.350 0.001 0.000 0.193 422 E C 2.217 178.782 176.600 -0.058 0.000 0.989 422 E CA 1.574 57.940 56.400 -0.057 0.000 0.800 422 E CB -0.378 29.302 29.700 -0.033 0.000 0.746 422 E HN 0.571 nan 8.360 nan 0.000 0.452 423 A N 0.552 123.317 122.820 -0.093 0.000 2.206 423 A HA -0.058 4.263 4.320 0.001 0.000 0.211 423 A C 0.558 178.049 177.584 -0.154 0.000 1.158 423 A CA 0.166 52.121 52.037 -0.137 0.000 0.761 423 A CB -0.229 18.629 19.000 -0.236 0.000 0.801 423 A HN 0.215 nan 8.150 nan 0.000 0.473 424 R N -0.646 119.783 120.500 -0.118 0.000 3.264 424 R HA -0.150 4.190 4.340 0.001 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 28.648 30.300 0.041 0.000 1.095 424 R HN 0.574 nan 8.270 nan 0.000 0.443 425 R N 1.743 122.071 120.500 -0.286 0.000 2.210 425 R HA 0.092 4.433 4.340 0.001 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 0.521 30.504 30.300 -0.528 0.000 1.050 425 R HN 0.295 nan 8.270 nan 0.000 0.461 426 H N 0.889 119.903 119.070 -0.093 0.000 2.408 426 H HA 0.059 4.616 4.556 0.001 0.000 0.345 426 H C 1.283 176.588 175.328 -0.037 0.000 1.547 426 H CA -0.986 55.036 56.048 -0.043 0.000 1.447 426 H CB 0.322 30.060 29.762 -0.040 0.000 1.686 426 H HN 0.385 nan 8.280 nan 0.000 0.625 427 I N -0.264 120.420 120.570 0.190 0.000 2.113 427 I HA -0.249 3.921 4.170 0.001 0.000 0.242 427 I C 2.057 178.241 176.117 0.113 0.000 1.064 427 I CA 1.353 62.721 61.300 0.112 0.000 1.320 427 I CB -0.819 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 0.820 122.102 121.223 0.099 0.000 2.042 428 L HA -0.150 4.191 4.340 0.001 0.000 0.210 428 L C 2.471 179.416 176.870 0.125 0.000 1.076 428 L CA 2.317 57.199 54.840 0.069 0.000 0.749 428 L CB -1.306 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 -0.190 122.756 122.820 0.210 0.000 1.858 429 A HA -0.181 4.139 4.320 0.001 0.000 0.216 429 A C 2.182 179.701 177.584 -0.108 0.000 1.190 429 A CA 1.909 53.916 52.037 -0.049 0.000 0.617 429 A CB -0.787 18.031 19.000 -0.303 0.000 0.827 429 A HN 0.432 nan 8.150 nan 0.000 0.443 430 I N 0.191 120.715 120.570 -0.078 0.000 2.185 430 I HA -0.288 3.882 4.170 0.001 0.000 0.246 430 I C 2.459 178.657 176.117 0.135 0.000 1.088 430 I CA 1.536 62.837 61.300 0.002 0.000 1.347 430 I CB -1.321 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 4.127 4.340 0.001 0.000 0.209 431 L C 2.594 179.534 176.870 0.117 0.000 1.094 431 L CA 1.258 56.178 54.840 0.132 0.000 0.763 431 L CB -0.593 41.513 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 4.200 4.340 0.001 0.000 0.199 432 Q C 1.203 177.245 176.000 0.071 0.000 0.957 432 Q CA 1.149 56.983 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 -1.128 119.302 120.400 0.050 0.000 2.340 433 D HA -0.033 4.608 4.640 0.001 0.000 0.220 433 D C -0.670 175.753 176.300 0.205 0.000 1.039 433 D CA 0.626 54.678 54.000 0.087 0.000 0.866 433 D CB 0.386 41.177 40.800 -0.015 0.000 0.913 433 D HN 0.110 nan 8.370 nan 0.000 0.523 434 Y N -0.705 119.740 120.300 0.242 0.000 2.592 434 Y HA 0.280 4.831 4.550 0.001 0.000 0.354 434 Y C -1.901 174.067 175.900 0.115 0.000 1.063 434 Y CA -3.218 54.992 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 1.507 178.872 177.300 0.109 0.000 1.144 435 P CA 1.736 64.921 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 -0.947 114.816 115.700 0.104 0.000 2.368 436 S HA -0.031 4.440 4.470 0.001 0.000 0.224 436 S C 0.889 175.533 174.600 0.073 0.000 1.029 436 S CA 0.473 58.707 58.200 0.057 0.000 0.988 436 S CB -0.675 62.526 63.200 0.002 0.000 0.838 436 S HN 0.065 nan 8.310 nan 0.000 0.462 437 L N 3.594 124.881 121.223 0.107 0.000 2.742 437 L HA 0.058 4.398 4.340 0.001 0.000 0.275 437 L C 0.238 177.158 176.870 0.083 0.000 1.141 437 L CA 0.983 55.895 54.840 0.119 0.000 0.987 437 L CB -0.597 41.562 42.059 0.166 0.000 1.319 437 L HN 0.198 nan 8.230 nan 0.000 0.478 438 R N 4.349 124.890 120.500 0.068 0.000 2.886 438 R HA 0.312 4.653 4.340 0.001 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 0.668 30.982 30.300 0.024 0.000 1.328 438 R HN 0.380 nan 8.270 nan 0.000 0.629 439 P HA 0.288 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 -1.475 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 -0.171 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 2.314 122.727 120.570 -0.262 0.000 2.454 441 I HA -0.284 3.886 4.170 0.001 0.000 0.254 441 I C 1.160 177.149 176.117 -0.213 0.000 1.156 441 I CA 1.872 62.975 61.300 -0.328 0.000 1.433 441 I CB -0.033 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 -1.525 118.811 120.400 -0.106 0.000 2.149 442 D HA -0.306 4.335 4.640 0.001 0.000 0.201 442 D C 2.146 178.562 176.300 0.195 0.000 0.972 442 D CA 1.337 55.428 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 -0.865 118.215 119.070 0.017 0.000 2.428 443 H HA 0.005 4.562 4.556 0.001 0.000 0.296 443 H C 1.882 177.243 175.328 0.054 0.000 1.062 443 H CA 0.266 56.349 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 0.114 nan 8.280 nan 0.000 0.533 444 L N 0.476 121.727 121.223 0.046 0.000 2.056 444 L HA -0.147 4.194 4.340 0.001 0.000 0.207 444 L C 2.228 179.132 176.870 0.058 0.000 1.078 444 L CA 1.310 56.141 54.840 -0.014 0.000 0.749 444 L CB -0.733 41.287 42.059 -0.064 0.000 0.901 444 L HN 0.385 nan 8.230 nan 0.000 0.433 445 C N -0.533 118.837 119.300 0.117 0.000 2.437 445 C HA -0.085 4.376 4.460 0.001 0.000 0.283 445 C C 2.605 177.753 174.990 0.264 0.000 1.424 445 C CA 0.790 59.928 59.018 0.200 0.000 1.782 445 C CB -1.149 26.797 27.740 0.344 0.000 1.833 445 C HN 0.632 nan 8.230 nan 0.000 0.532 446 E N 0.518 120.841 120.200 0.205 0.000 2.102 446 E HA -0.018 4.333 4.350 0.001 0.000 0.190 446 E C 1.976 178.674 176.600 0.163 0.000 0.971 446 E CA 0.525 57.023 56.400 0.163 0.000 0.821 446 E CB 0.008 29.870 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 -0.007 4.334 4.340 0.001 0.000 0.208 447 L C 0.671 177.594 176.870 0.089 0.000 1.095 447 L CA -0.085 54.816 54.840 0.101 0.000 0.770 447 L CB -0.077 41.995 42.059 0.021 0.000 0.914 447 L HN 0.146 nan 8.230 nan 0.000 0.439 448 L N 1.541 122.810 121.223 0.076 0.000 2.490 448 L HA 0.095 4.436 4.340 0.001 0.000 0.274 448 L C -1.690 175.217 176.870 0.062 0.000 1.201 448 L CA -1.147 53.729 54.840 0.060 0.000 0.869 448 L CB -0.341 41.737 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 -0.736 176.583 177.300 0.031 0.000 1.246 449 P CA -0.652 62.471 63.100 0.038 0.000 0.795 449 P CB 0.656 32.375 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 4.609 4.340 0.001 0.000 0.284 450 R C 0.029 176.355 176.300 0.043 0.000 1.070 450 R CA -1.051 55.074 56.100 0.041 0.000 1.047 450 R CB 0.007 30.338 30.300 0.051 0.000 1.016 450 R HN 0.459 nan 8.270 nan 0.000 0.477 451 L N 4.384 125.634 121.223 0.044 0.000 2.500 451 L HA -0.021 4.320 4.340 0.001 0.000 0.272 451 L C 0.186 177.114 176.870 0.096 0.000 1.149 451 L CA 0.648 55.512 54.840 0.039 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 4.942 4.340 0.001 0.000 0.211 452 Q C -0.348 175.698 176.000 0.075 0.000 1.013 452 Q CA -0.367 55.505 55.803 0.115 0.000 0.993 452 Q CB 0.798 29.584 28.738 0.080 0.000 1.151 452 Q HN 0.766 nan 8.270 nan 0.000 0.544 453 A N 0.819 123.625 122.820 -0.022 0.000 2.306 453 A HA 0.599 4.919 4.320 0.001 0.000 0.314 453 A C -0.442 176.894 177.584 -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 0.496 nan 8.150 nan 0.000 0.496 454 R N 0.548 120.818 120.500 -0.383 0.000 2.428 454 R HA 0.508 4.848 4.340 0.001 0.000 0.294 454 R C -1.448 174.420 176.300 -0.720 0.000 1.000 454 R CA -0.020 55.829 56.100 -0.418 0.000 0.960 454 R CB 0.726 30.888 30.300 -0.230 0.000 1.076 454 R HN 0.704 nan 8.270 nan 0.000 0.475 455 Y N 1.666 121.566 120.300 -0.666 0.000 2.352 455 Y HA 0.406 4.957 4.550 0.001 0.000 0.326 455 Y C -0.510 174.753 175.900 -1.062 0.000 1.166 455 Y CA -0.191 57.502 58.100 -0.678 0.000 1.182 455 Y CB 1.091 39.225 38.460 -0.542 0.000 1.216 455 Y HN 0.421 nan 8.280 nan 0.000 0.474 456 Y N -0.493 119.738 120.300 -0.116 0.000 2.433 456 Y HA 0.304 4.855 4.550 0.001 0.000 0.337 456 Y C -0.241 175.618 175.900 -0.070 0.000 1.026 456 Y CA -1.277 56.722 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 4.736 4.470 0.001 0.000 0.281 457 S C 0.305 174.895 174.600 -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 62.947 63.200 -0.062 0.000 0.894 457 S HN 0.431 nan 8.310 nan 0.000 0.491 458 I N 2.608 123.141 120.570 -0.063 0.000 2.775 458 I HA -0.048 4.123 4.170 0.001 0.000 0.290 458 I C 1.034 177.113 176.117 -0.064 0.000 1.203 458 I CA 0.093 61.335 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 5.400 128.198 122.820 -0.036 0.000 2.610 459 A HA 0.395 4.716 4.320 0.001 0.000 0.286 459 A C 0.317 177.861 177.584 -0.066 0.000 1.306 459 A CA -0.097 51.932 52.037 -0.012 0.000 0.942 459 A CB -0.254 18.807 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 5.199 4.470 0.001 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 -0.180 0.000 0.833 460 S CB 1.437 64.249 63.200 -0.647 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 4.949 4.470 0.001 0.000 0.303 461 S C 1.155 175.697 174.600 -0.098 0.000 1.099 461 S CA -0.112 58.095 58.200 0.013 0.000 1.077 461 S CB 1.035 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 4.345 119.807 115.700 -0.396 0.000 2.469 462 S HA -0.027 4.444 4.470 0.001 0.000 0.238 462 S C 1.183 175.483 174.600 -0.501 0.000 0.998 462 S CA 0.661 58.423 58.200 -0.731 0.000 0.957 462 S CB -0.314 62.247 63.200 -1.064 0.000 0.764 462 S HN 0.782 nan 8.310 nan 0.000 0.514 463 K N 0.794 120.857 120.400 -0.562 0.000 2.400 463 K HA 0.158 4.479 4.320 0.001 0.000 0.194 463 K C 1.587 177.716 176.600 -0.785 0.000 1.033 463 K CA 0.888 56.680 56.287 -0.826 0.000 1.021 463 K CB 0.285 31.941 32.500 -1.407 0.000 0.808 463 K HN 0.529 nan 8.250 nan 0.000 0.505 464 V N -3.575 116.031 119.914 -0.514 0.000 3.562 464 V HA 0.191 4.312 4.120 0.001 0.000 0.270 464 V C 0.374 176.128 176.094 -0.566 0.000 1.418 464 V CA -0.088 61.945 62.300 -0.445 0.000 1.033 464 V CB 0.121 31.756 31.823 -0.313 0.000 0.820 464 V HN 0.164 nan 8.190 nan 0.000 0.441 465 H N 1.475 120.470 119.070 -0.125 0.000 2.712 465 H HA 0.334 4.890 4.556 0.001 0.000 0.226 465 H C -2.173 173.159 175.328 0.007 0.000 1.422 465 H CA -0.751 55.277 56.048 -0.033 0.000 1.270 465 H CB 1.250 30.978 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 1.087 64.150 63.100 -0.061 0.000 0.822 466 P CB 0.388 32.019 31.700 -0.114 0.000 0.784 467 N N -0.683 118.074 118.700 0.095 0.000 2.376 467 N HA 0.190 4.930 4.740 0.001 0.000 0.249 467 N C -0.481 175.091 175.510 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 -0.016 115.788 115.700 0.174 0.000 2.543 468 S HA 0.378 4.849 4.470 0.001 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 1.091 64.411 63.200 0.200 0.000 1.105 468 S HN -0.151 nan 8.310 nan 0.000 0.465 469 V N 5.758 125.635 119.914 -0.062 0.000 2.378 469 V HA 0.468 4.589 4.120 0.001 0.000 0.288 469 V C -0.354 175.708 176.094 -0.053 0.000 1.016 469 V CA -0.563 61.583 62.300 -0.256 0.000 0.840 469 V CB 1.229 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 5.118 124.024 119.070 -0.274 0.000 2.467 470 H HA 0.592 5.148 4.556 0.001 0.000 0.331 470 H C -0.696 174.500 175.328 -0.220 0.000 1.120 470 H CA -0.656 55.231 56.048 -0.268 0.000 1.270 470 H CB 2.056 31.714 29.762 -0.173 0.000 1.466 470 H HN 0.439 nan 8.280 nan 0.000 0.504 471 I N 2.369 122.843 120.570 -0.159 0.000 2.509 471 I HA 0.152 4.323 4.170 0.001 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 1.928 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 6.470 125.802 119.300 0.053 0.000 2.319 472 C HA 0.934 5.395 4.460 0.001 0.000 0.323 472 C C -0.110 174.943 174.990 0.105 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 4.416 127.278 122.820 0.070 0.000 2.594 473 A HA 0.720 5.041 4.320 0.001 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 20.386 19.000 -0.015 0.000 1.285 473 A HN 1.615 nan 8.150 nan 0.000 0.405 474 V N 1.694 121.712 119.914 0.175 0.000 2.394 474 V HA 0.672 4.793 4.120 0.001 0.000 0.282 474 V C 0.578 176.776 176.094 0.172 0.000 1.031 474 V CA 0.047 62.447 62.300 0.167 0.000 0.881 474 V CB 0.982 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 6.964 129.889 122.820 0.175 0.000 2.444 475 A HA 0.504 4.825 4.320 0.001 0.000 0.273 475 A C 0.020 177.689 177.584 0.142 0.000 1.136 475 A CA -0.089 52.033 52.037 0.141 0.000 0.799 475 A CB -0.029 19.028 19.000 0.096 0.000 1.081 475 A HN 1.002 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 4.510 4.120 0.001 0.000 0.296 476 V C 0.429 176.632 176.094 0.181 0.000 1.046 476 V CA 0.361 62.774 62.300 0.189 0.000 1.066 476 V CB 0.826 32.776 31.823 0.212 0.000 0.968 476 V HN 1.009 nan 8.190 nan 0.000 0.483 477 E N 4.479 124.825 120.200 0.242 0.000 2.748 477 E HA 0.420 4.770 4.350 0.001 0.000 0.320 477 E C -2.033 174.688 176.600 0.202 0.000 0.996 477 E CA -0.587 55.883 56.400 0.117 0.000 0.835 477 E CB 1.467 31.195 29.700 0.046 0.000 1.265 477 E HN 0.665 nan 8.360 nan 0.000 0.420 478 Y N 0.771 121.080 120.300 0.015 0.000 2.725 478 Y HA 0.572 5.122 4.550 0.001 0.000 0.333 478 Y C -1.375 174.522 175.900 -0.006 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 1.513 121.757 120.200 0.072 0.000 2.151 479 E HA 0.730 5.081 4.350 0.001 0.000 0.275 479 E C -0.941 175.713 176.600 0.090 0.000 0.936 479 E CA -0.837 55.553 56.400 -0.017 0.000 0.777 479 E CB 1.349 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 4.109 126.928 122.820 -0.001 0.000 2.256 480 A HA 0.293 4.614 4.320 0.001 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 19.800 19.000 0.019 0.000 1.182 480 A HN 0.744 nan 8.150 nan 0.000 0.501 481 K N 0.611 120.999 120.400 -0.020 0.000 2.515 481 K HA -0.076 4.245 4.320 0.001 0.000 0.196 481 K C 1.720 178.259 176.600 -0.102 0.000 1.038 481 K CA 1.320 57.579 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 -0.529 115.079 115.700 -0.154 0.000 2.522 482 S HA 0.038 4.508 4.470 0.001 0.000 0.227 482 S C 1.526 176.021 174.600 -0.176 0.000 0.986 482 S CA 0.657 58.715 58.200 -0.237 0.000 0.929 482 S CB -0.035 62.973 63.200 -0.320 0.000 0.769 482 S HN 0.409 nan 8.310 nan 0.000 0.529 483 G N 0.852 109.580 108.800 -0.120 0.000 2.176 483 G HA2 -0.254 3.707 3.960 0.001 0.000 0.253 483 G HA3 -0.254 3.707 3.960 0.001 0.000 0.253 483 G C 0.093 174.937 174.900 -0.094 0.000 0.979 483 G CA -0.014 45.033 45.100 -0.088 0.000 0.641 483 G HN 0.599 nan 8.290 nan 0.000 0.530 484 R N -0.532 119.890 120.500 -0.131 0.000 2.664 484 R HA 0.605 4.945 4.340 0.001 0.000 0.286 484 R C -0.031 176.174 176.300 -0.159 0.000 0.967 484 R CA -0.777 55.245 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 3.155 122.984 119.914 -0.140 0.000 2.405 485 V HA 0.099 4.220 4.120 0.001 0.000 0.264 485 V C 0.133 176.083 176.094 -0.241 0.000 1.048 485 V CA -0.202 61.983 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 4.627 123.053 118.700 -0.456 0.000 2.509 486 N HA 0.520 5.261 4.740 0.001 0.000 0.287 486 N C -0.689 174.588 175.510 -0.389 0.000 1.121 486 N CA -0.787 52.012 53.050 -0.417 0.000 0.977 486 N CB 1.538 39.695 38.487 -0.550 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 4.664 4.320 0.001 0.000 0.251 487 K C -0.299 176.321 176.600 0.033 0.000 0.934 487 K CA -0.903 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 1.026 109.879 108.800 0.090 0.000 2.380 488 G HA2 0.112 4.072 3.960 0.001 0.000 0.242 488 G HA3 0.112 4.072 3.960 0.001 0.000 0.242 488 G C 1.037 175.988 174.900 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 3.460 123.414 119.914 0.067 0.000 2.216 489 V HA -0.242 3.879 4.120 0.001 0.000 0.243 489 V C 3.184 179.323 176.094 0.074 0.000 1.044 489 V CA 2.598 64.914 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 0.777 123.666 122.820 0.114 0.000 1.873 490 A HA -0.212 4.109 4.320 0.001 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 18.000 19.000 0.269 0.000 0.823 490 A HN 0.676 nan 8.150 nan 0.000 0.442 491 T N -2.543 112.135 114.554 0.206 0.000 2.788 491 T HA -0.129 4.222 4.350 0.001 0.000 0.268 491 T C 1.994 176.744 174.700 0.084 0.000 1.044 491 T CA 1.978 64.156 62.100 0.130 0.000 1.139 491 T CB -0.617 68.332 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 4.460 4.470 0.001 0.000 0.224 492 S C 1.418 176.071 174.600 0.088 0.000 1.029 492 S CA 0.970 59.202 58.200 0.053 0.000 0.988 492 S CB -0.631 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 2.557 123.823 121.300 -0.057 0.000 2.332 493 W HA -0.090 4.570 4.660 0.001 0.000 0.321 493 W C 1.742 178.219 176.519 -0.070 0.000 1.219 493 W CA 1.169 58.477 57.345 -0.062 0.000 1.277 493 W CB -0.816 28.614 29.460 -0.050 0.000 1.161 493 W HN 0.178 nan 8.180 nan 0.000 0.476 494 L N 0.363 121.536 121.223 -0.083 0.000 2.079 494 L HA -0.229 4.111 4.340 0.001 0.000 0.210 494 L C 2.803 179.528 176.870 -0.241 0.000 1.081 494 L CA 1.879 56.527 54.840 -0.321 0.000 0.752 494 L CB -0.978 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 0.427 120.845 120.500 -0.135 0.000 2.091 495 R HA -0.209 4.132 4.340 0.001 0.000 0.238 495 R C 2.183 178.393 176.300 -0.151 0.000 1.136 495 R CA 1.701 57.721 56.100 -0.134 0.000 0.959 495 R CB -0.225 29.979 30.300 -0.159 0.000 0.856 495 R HN 0.356 nan 8.270 nan 0.000 0.437 496 A N 0.838 123.566 122.820 -0.153 0.000 2.119 496 A HA 0.024 4.345 4.320 0.001 0.000 0.216 496 A C 0.455 177.930 177.584 -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 2.268 122.501 120.400 -0.279 0.000 2.160 497 K HA -0.021 4.300 4.320 0.001 0.000 0.263 497 K C -0.021 176.458 176.600 -0.202 0.000 1.120 497 K CA 0.254 56.357 56.287 -0.306 0.000 1.115 497 K CB -0.342 31.884 32.500 -0.457 0.000 0.971 497 K HN 0.652 nan 8.250 nan 0.000 0.400 498 E N 5.365 125.475 120.200 -0.149 0.000 2.290 498 E HA 0.077 4.428 4.350 0.001 0.000 0.277 498 E C -1.748 174.791 176.600 -0.102 0.000 1.035 498 E CA -1.530 54.806 56.400 -0.106 0.000 0.873 498 E CB 0.702 30.355 29.700 -0.079 0.000 1.029 498 E HN 0.270 nan 8.360 nan 0.000 0.419 508 L N 0.689 121.848 121.223 -0.106 0.000 2.375 508 L HA 0.773 5.113 4.340 0.001 0.000 0.268 508 L C -0.031 176.775 176.870 -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 -0.127 0.000 1.212 508 L HN 0.356 nan 8.230 nan 0.000 0.451 509 V N 2.313 122.178 119.914 -0.081 0.000 2.524 509 V HA 0.295 4.415 4.120 0.001 0.000 0.297 509 V C -2.382 173.780 176.094 0.113 0.000 1.035 509 V CA -1.440 60.873 62.300 0.021 0.000 0.867 509 V CB 2.159 33.900 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 -0.722 176.766 177.300 0.314 0.000 1.276 510 P CA -0.171 63.040 63.100 0.185 0.000 0.782 510 P CB 0.471 32.312 31.700 0.235 0.000 0.851 511 M N 3.332 123.094 119.600 0.269 0.000 2.664 511 M HA 0.822 5.303 4.480 0.001 0.000 0.279 511 M C -1.071 175.438 176.300 0.349 0.000 1.275 511 M CA -1.276 54.145 55.300 0.202 0.000 0.829 511 M CB 1.276 33.910 32.600 0.057 0.000 1.727 511 M HN 0.146 nan 8.290 nan 0.000 0.459 512 F N -1.663 118.326 119.950 0.065 0.000 2.824 512 F HA 1.007 5.535 4.527 0.001 0.000 0.330 512 F C -1.649 174.191 175.800 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 40.065 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 4.746 4.120 0.001 0.000 0.306 513 V C -1.148 175.106 176.094 0.268 0.000 1.065 513 V CA -0.914 61.478 62.300 0.154 0.000 0.894 513 V CB 2.117 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 2.854 123.489 120.500 0.225 0.000 2.513 514 R HA 0.656 4.997 4.340 0.001 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 0.301 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 4.426 4.320 0.001 0.000 0.272 515 K C 0.119 176.793 176.600 0.124 0.000 0.993 515 K CA 0.175 56.535 56.287 0.121 0.000 0.964 515 K CB 1.137 33.702 32.500 0.108 0.000 0.925 515 K HN 0.955 nan 8.250 nan 0.000 0.487 516 S N 0.633 116.397 115.700 0.106 0.000 2.900 516 S HA 0.300 4.770 4.470 0.001 0.000 0.320 516 S C 0.485 175.173 174.600 0.147 0.000 1.130 516 S CA -0.787 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 -0.902 119.016 119.800 0.196 0.000 2.247 517 Q HA 0.341 4.682 4.340 0.001 0.000 0.211 517 Q C -0.969 175.200 176.000 0.282 0.000 0.861 517 Q CA -0.141 55.781 55.803 0.197 0.000 0.949 517 Q CB 0.227 29.070 28.738 0.174 0.000 1.115 517 Q HN 0.597 nan 8.270 nan 0.000 0.507 518 F N 2.838 122.879 119.950 0.152 0.000 2.512 518 F HA 0.126 4.653 4.527 0.001 0.000 0.350 518 F C 0.010 175.960 175.800 0.250 0.000 1.212 518 F CA 0.179 58.334 58.000 0.258 0.000 1.099 518 F CB 0.027 39.137 39.000 0.183 0.000 1.238 518 F HN -0.201 nan 8.300 nan 0.000 0.600 519 R N 4.506 125.078 120.500 0.121 0.000 2.774 519 R HA 0.448 4.789 4.340 0.001 0.000 0.272 519 R C -0.945 175.120 176.300 -0.392 0.000 1.000 519 R CA -1.112 54.903 56.100 -0.142 0.000 0.906 519 R CB 1.814 32.017 30.300 -0.161 0.000 1.227 519 R HN 0.534 nan 8.270 nan 0.000 0.468 520 L N 3.447 124.204 121.223 -0.777 0.000 2.464 520 L HA 0.287 4.628 4.340 0.001 0.000 0.264 520 L C -1.434 175.090 176.870 -0.577 0.000 1.199 520 L CA -1.379 52.982 54.840 -0.800 0.000 0.818 520 L CB 0.452 42.007 42.059 -0.841 0.000 1.102 520 L HN 0.317 nan 8.230 nan 0.000 0.473 521 P HA 0.034 nan 4.420 nan 0.000 0.272 521 P C 0.186 177.204 177.300 -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 31.870 31.700 -0.611 0.000 0.978 522 F N -0.338 119.523 119.950 -0.147 0.000 2.128 522 F HA 0.031 4.559 4.527 0.001 0.000 0.295 522 F C 1.563 177.313 175.800 -0.084 0.000 1.100 522 F CA 1.301 59.244 58.000 -0.094 0.000 1.260 522 F CB -0.591 38.373 39.000 -0.061 0.000 1.009 522 F HN 0.059 nan 8.300 nan 0.000 0.476 523 K N 1.461 121.922 120.400 0.102 0.000 2.338 523 K HA 0.076 4.396 4.320 0.001 0.000 0.290 523 K C 1.297 177.880 176.600 -0.028 0.000 1.069 523 K CA 0.356 56.663 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 1.086 116.772 115.700 -0.023 0.000 2.440 524 S HA -0.185 4.286 4.470 0.001 0.000 0.238 524 S C 1.815 176.391 174.600 -0.040 0.000 1.010 524 S CA 1.751 59.926 58.200 -0.041 0.000 0.972 524 S CB -0.576 62.608 63.200 -0.025 0.000 0.774 524 S HN 0.742 nan 8.310 nan 0.000 0.501 525 T N -1.042 113.495 114.554 -0.028 0.000 3.072 525 T HA 0.046 4.397 4.350 0.001 0.000 0.266 525 T C 0.673 175.357 174.700 -0.025 0.000 1.127 525 T CA 0.600 62.687 62.100 -0.022 0.000 1.107 525 T CB -0.957 67.902 68.868 -0.014 0.000 0.910 525 T HN 0.353 nan 8.240 nan 0.000 0.513 526 T N 5.521 120.048 114.554 -0.044 0.000 2.799 526 T HA 0.317 4.667 4.350 0.001 0.000 0.296 526 T C -2.375 172.300 174.700 -0.041 0.000 0.947 526 T CA -1.071 60.999 62.100 -0.050 0.000 1.141 526 T CB 0.995 69.794 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 -0.755 176.570 177.300 0.043 0.000 1.238 527 P CA -0.489 62.617 63.100 0.010 0.000 0.794 527 P CB 0.947 32.651 31.700 0.008 0.000 0.955 528 V N 0.537 120.493 119.914 0.070 0.000 2.656 528 V HA 0.599 4.720 4.120 0.001 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 1.816 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 5.231 125.907 120.570 0.176 0.000 2.371 529 I HA 0.465 4.635 4.170 0.001 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 0.163 0.000 1.180 529 I CB 1.462 39.537 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 4.863 4.480 0.001 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 33.778 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 4.655 4.120 0.001 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 0.861 32.736 31.823 0.086 0.000 1.065 531 V HN 1.025 nan 8.190 nan 0.000 0.457 532 G N 5.708 114.588 108.800 0.134 0.000 3.749 532 G HA2 0.528 4.489 3.960 0.001 0.000 0.339 532 G HA3 0.528 4.489 3.960 0.001 0.000 0.339 532 G C -2.862 172.228 174.900 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 0.847 63.948 63.100 0.003 0.000 0.787 533 P CB 2.040 33.652 31.700 -0.146 0.000 0.920 534 G N 3.576 112.434 108.800 0.097 0.000 2.498 534 G HA2 -0.278 3.683 3.960 0.001 0.000 0.251 534 G HA3 -0.278 3.683 3.960 0.001 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 -0.630 114.066 114.554 0.237 0.000 3.163 535 T HA 0.339 4.690 4.350 0.001 0.000 0.260 535 T C 2.115 177.034 174.700 0.366 0.000 1.156 535 T CA 1.453 63.742 62.100 0.315 0.000 1.072 535 T CB -0.036 69.052 68.868 0.366 0.000 0.937 535 T HN 1.803 nan 8.240 nan 0.000 0.528 536 G N 0.952 109.912 108.800 0.268 0.000 2.956 536 G HA2 0.141 4.102 3.960 0.001 0.000 0.207 536 G HA3 0.141 4.102 3.960 0.001 0.000 0.207 536 G C 1.102 176.182 174.900 0.300 0.000 1.162 536 G CA -0.208 45.032 45.100 0.234 0.000 0.796 536 G HN 0.616 nan 8.290 nan 0.000 0.527 537 I N 0.057 120.826 120.570 0.332 0.000 3.578 537 I HA 0.179 4.350 4.170 0.001 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 3.120 126.021 122.820 0.134 0.000 1.852 538 A HA -0.183 4.138 4.320 0.001 0.000 0.217 538 A C -0.052 177.452 177.584 -0.132 0.000 1.215 538 A CA 2.318 54.395 52.037 0.067 0.000 0.641 538 A CB -2.318 16.751 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 1.056 63.850 63.100 -0.509 0.000 0.795 539 P CB -0.261 31.079 31.700 -0.600 0.000 0.775 540 F N -0.760 118.987 119.950 -0.338 0.000 2.407 540 F HA 0.004 4.531 4.527 0.001 0.000 0.299 540 F C 2.468 178.130 175.800 -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 -0.134 119.409 119.600 -0.094 0.000 2.296 541 M HA 0.022 4.503 4.480 0.001 0.000 0.265 541 M C 2.504 178.736 176.300 -0.113 0.000 1.064 541 M CA 1.207 56.400 55.300 -0.178 0.000 1.109 541 M CB -2.005 30.393 32.600 -0.337 0.000 1.396 541 M HN 0.208 nan 8.290 nan 0.000 0.430 542 G N -0.358 108.410 108.800 -0.054 0.000 2.404 542 G HA2 -0.169 3.792 3.960 0.001 0.000 0.214 542 G HA3 -0.169 3.792 3.960 0.001 0.000 0.214 542 G C 1.278 176.273 174.900 0.159 0.000 1.189 542 G CA 0.215 45.344 45.100 0.050 0.000 0.789 542 G HN 0.253 nan 8.290 nan 0.000 0.533 543 F N 1.199 121.080 119.950 -0.116 0.000 2.161 543 F HA 0.033 4.561 4.527 0.001 0.000 0.300 543 F C 2.632 178.325 175.800 -0.177 0.000 1.089 543 F CA 0.148 58.061 58.000 -0.146 0.000 1.282 543 F CB -0.725 38.194 39.000 -0.134 0.000 1.010 543 F HN 0.090 nan 8.300 nan 0.000 0.485 544 I N -0.660 119.883 120.570 -0.046 0.000 2.353 544 I HA -0.266 3.905 4.170 0.001 0.000 0.248 544 I C 2.315 178.157 176.117 -0.458 0.000 1.119 544 I CA 0.994 62.085 61.300 -0.348 0.000 1.417 544 I CB -0.582 37.052 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 4.077 4.340 0.001 0.000 0.202 545 Q C 2.167 178.209 176.000 0.069 0.000 0.980 545 Q CA 1.703 57.494 55.803 -0.020 0.000 0.840 545 Q CB -0.137 28.660 28.738 0.099 0.000 0.898 545 Q HN 0.476 nan 8.270 nan 0.000 0.424 546 E N 0.241 120.449 120.200 0.014 0.000 2.150 546 E HA -0.154 4.197 4.350 0.001 0.000 0.193 546 E C 2.029 178.708 176.600 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 4.301 4.340 0.001 0.000 0.230 547 R C 2.063 178.400 176.300 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 -0.627 122.251 122.820 0.098 0.000 1.930 548 A HA -0.142 4.179 4.320 0.001 0.000 0.215 548 A C 1.941 179.627 177.584 0.169 0.000 1.176 548 A CA 0.660 52.793 52.037 0.160 0.000 0.632 548 A CB -0.705 18.480 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 2.358 549 W HA -0.167 4.494 4.660 0.001 0.000 0.303 549 W C 1.546 178.056 176.519 -0.015 0.000 1.208 549 W CA 1.919 59.265 57.345 0.002 0.000 1.274 549 W CB -0.245 29.204 29.460 -0.018 0.000 1.138 549 W HN 0.240 nan 8.180 nan 0.000 0.515 550 L N 0.471 121.717 121.223 0.038 0.000 2.191 550 L HA -0.155 4.186 4.340 0.001 0.000 0.212 550 L C 2.494 179.239 176.870 -0.208 0.000 1.103 550 L CA 1.341 56.076 54.840 -0.175 0.000 0.769 550 L CB -0.788 41.277 42.059 0.011 0.000 0.908 550 L HN -0.029 nan 8.230 nan 0.000 0.438 551 R N 0.024 120.457 120.500 -0.111 0.000 2.189 551 R HA -0.098 4.242 4.340 0.001 0.000 0.218 551 R C 1.932 178.153 176.300 -0.131 0.000 1.074 551 R CA 0.791 56.838 56.100 -0.088 0.000 0.991 551 R CB -0.092 30.196 30.300 -0.020 0.000 0.883 551 R HN 0.473 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 4.248 4.350 0.001 0.000 0.191 552 E C 1.531 177.958 176.600 -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 0.189 nan 8.360 nan 0.000 0.468 553 Q N -0.416 119.132 119.800 -0.421 0.000 2.482 553 Q HA 0.042 4.383 4.340 0.001 0.000 0.209 553 Q C 1.302 177.166 176.000 -0.226 0.000 0.961 553 Q CA 0.849 56.421 55.803 -0.386 0.000 0.945 553 Q CB 0.797 29.199 28.738 -0.561 0.000 1.012 553 Q HN 0.453 nan 8.270 nan 0.000 0.515 554 G N 1.166 109.860 108.800 -0.178 0.000 2.212 554 G HA2 -0.321 3.640 3.960 0.001 0.000 0.266 554 G HA3 -0.321 3.640 3.960 0.001 0.000 0.266 554 G C 0.141 174.982 174.900 -0.097 0.000 0.978 554 G CA 0.399 45.430 45.100 -0.115 0.000 0.632 554 G HN 0.345 nan 8.290 nan 0.000 0.537 555 K N 0.848 121.176 120.400 -0.119 0.000 2.380 555 K HA 0.239 4.560 4.320 0.001 0.000 0.267 555 K C 0.411 176.975 176.600 -0.060 0.000 0.990 555 K CA -0.011 56.225 56.287 -0.086 0.000 0.946 555 K CB 0.682 33.126 32.500 -0.094 0.000 0.937 555 K HN 0.373 nan 8.250 nan 0.000 0.491 556 E N 2.673 122.848 120.200 -0.042 0.000 1.932 556 E HA 0.066 4.417 4.350 0.001 0.000 0.275 556 E C -0.956 175.630 176.600 -0.024 0.000 1.159 556 E CA -0.395 55.988 56.400 -0.029 0.000 0.905 556 E CB 0.471 30.158 29.700 -0.022 0.000 1.059 556 E HN 0.192 nan 8.360 nan 0.000 0.400 557 V N 3.837 123.737 119.914 -0.022 0.000 2.607 557 V HA 0.332 4.453 4.120 0.001 0.000 0.289 557 V C 1.085 177.174 176.094 -0.008 0.000 1.053 557 V CA -0.156 62.133 62.300 -0.018 0.000 0.996 557 V CB 1.516 33.331 31.823 -0.014 0.000 0.995 557 V HN 0.745 nan 8.190 nan 0.000 0.476 558 G N 2.787 111.581 108.800 -0.011 0.000 2.543 558 G HA2 0.347 4.308 3.960 0.001 0.000 0.290 558 G HA3 0.347 4.308 3.960 0.001 0.000 0.290 558 G C -0.223 174.685 174.900 0.014 0.000 1.310 558 G CA -0.606 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 -0.252 119.967 120.200 0.031 0.000 2.465 559 E HA 0.148 4.499 4.350 0.001 0.000 0.260 559 E C -0.398 176.225 176.600 0.039 0.000 0.980 559 E CA 0.747 57.178 56.400 0.051 0.000 0.927 559 E CB 0.410 30.163 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 4.698 4.350 0.001 0.000 0.326 560 T C -0.680 174.016 174.700 -0.007 0.000 1.080 560 T CA -0.698 61.408 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 0.126 nan 8.240 nan 0.000 0.473 561 L N 3.700 124.919 121.223 -0.007 0.000 2.287 561 L HA 0.588 4.929 4.340 0.001 0.000 0.287 561 L C -0.438 176.339 176.870 -0.154 0.000 1.022 561 L CA -0.729 54.064 54.840 -0.079 0.000 0.814 561 L CB 1.329 43.392 42.059 0.005 0.000 1.217 561 L HN 0.466 nan 8.230 nan 0.000 0.420 562 L N 4.250 125.320 121.223 -0.256 0.000 2.276 562 L HA 0.435 4.776 4.340 0.001 0.000 0.286 562 L C -1.222 175.456 176.870 -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 42.317 42.059 -0.172 0.000 1.211 562 L HN 0.367 nan 8.230 nan 0.000 0.422 563 Y N 5.818 126.057 120.300 -0.102 0.000 2.676 563 Y HA 0.294 4.844 4.550 0.001 0.000 0.338 563 Y C -0.365 175.518 175.900 -0.028 0.000 1.057 563 Y CA -0.067 57.994 58.100 -0.066 0.000 1.314 563 Y CB 0.157 38.578 38.460 -0.065 0.000 1.164 563 Y HN 0.575 nan 8.280 nan 0.000 0.509 564 Y N 1.655 121.898 120.300 -0.094 0.000 2.458 564 Y HA 0.849 5.399 4.550 0.001 0.000 0.322 564 Y C 0.100 175.884 175.900 -0.194 0.000 1.259 564 Y CA -1.591 56.437 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 -0.996 0.000 2.742 565 G HA2 0.568 4.528 3.960 0.001 0.000 0.296 565 G HA3 0.568 4.528 3.960 0.001 0.000 0.296 565 G C -1.754 172.550 174.900 -0.992 0.000 1.436 565 G CA -0.297 44.282 45.100 -0.868 0.000 0.928 565 G HN 1.259 nan 8.290 nan 0.000 0.520 566 C N 0.290 119.172 119.300 -0.696 0.000 3.320 566 C HA 0.714 5.175 4.460 0.001 0.000 0.335 566 C C 1.208 176.142 174.990 -0.093 0.000 1.430 566 C CA -0.888 57.920 59.018 -0.349 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 0.537 121.052 120.500 0.024 0.000 2.078 567 R HA 0.173 4.513 4.340 0.001 0.000 0.224 567 R C 0.470 176.867 176.300 0.161 0.000 1.149 567 R CA 1.106 57.255 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 -0.466 120.132 120.500 0.163 0.000 2.621 568 R HA 0.163 4.504 4.340 0.001 0.000 0.292 568 R C 0.494 176.861 176.300 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 1.222 116.800 115.700 -0.203 0.000 2.400 569 S HA -0.207 4.263 4.470 0.001 0.000 0.234 569 S C 1.019 175.678 174.600 0.098 0.000 1.049 569 S CA 2.364 60.466 58.200 -0.163 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 -0.904 119.507 120.400 0.019 0.000 2.424 570 D HA 0.215 4.856 4.640 0.001 0.000 0.220 570 D C 1.040 177.368 176.300 0.047 0.000 1.150 570 D CA 0.001 54.021 54.000 0.033 0.000 0.831 570 D CB 0.199 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 1.313 121.561 120.200 0.079 0.000 2.280 571 E HA 0.019 4.369 4.350 0.001 0.000 0.197 571 E C -0.522 176.129 176.600 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 29.994 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 4.677 4.640 0.001 0.000 0.350 572 D C -1.216 175.243 176.300 0.264 0.000 1.310 572 D CA -0.521 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 2.042 122.450 120.300 0.181 0.000 2.627 573 Y HA 0.336 4.886 4.550 0.001 0.000 0.347 573 Y C -0.172 175.841 175.900 0.189 0.000 1.099 573 Y CA -1.567 56.720 58.100 0.311 0.000 1.408 573 Y CB 0.091 38.750 38.460 0.333 0.000 1.247 573 Y HN 0.191 nan 8.280 nan 0.000 0.506 574 L N 6.867 128.366 121.223 0.461 0.000 2.513 574 L HA -0.080 4.261 4.340 0.001 0.000 0.272 574 L C -0.081 176.839 176.870 0.083 0.000 1.187 574 L CA -0.048 54.812 54.840 0.033 0.000 0.895 574 L CB -0.266 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 1.279 121.616 120.300 0.061 0.000 3.078 575 Y HA -0.273 4.278 4.550 0.002 0.000 0.202 575 Y C 1.649 177.545 175.900 -0.007 0.000 1.322 575 Y CA 0.815 58.917 58.100 0.002 0.000 1.118 575 Y CB -1.666 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 4.124 4.340 0.001 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 0.526 120.662 120.200 -0.108 0.000 2.031 577 E HA -0.184 4.167 4.350 0.001 0.000 0.193 577 E C 1.948 178.534 176.600 -0.025 0.000 0.994 577 E CA 1.751 58.115 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 0.419 120.632 120.200 0.022 0.000 2.058 578 E HA -0.136 4.214 4.350 0.001 0.000 0.194 578 E C 2.060 178.722 176.600 0.103 0.000 0.997 578 E CA 0.811 57.214 56.400 0.005 0.000 0.801 578 E CB -0.232 29.533 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 4.140 4.340 0.001 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 0.306 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 0.145 123.051 122.820 0.143 0.000 1.877 580 A HA -0.260 4.060 4.320 0.001 0.000 0.216 580 A C 2.334 179.978 177.584 0.099 0.000 1.186 580 A CA 1.849 53.966 52.037 0.133 0.000 0.620 580 A CB -0.500 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 -0.984 119.510 120.500 -0.011 0.000 2.105 581 R HA -0.120 4.220 4.340 0.001 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 29.284 30.300 -0.264 0.000 0.861 581 R HN 0.453 nan 8.270 nan 0.000 0.442 582 F N -0.628 119.367 119.950 0.074 0.000 2.186 582 F HA -0.061 4.467 4.527 0.001 0.000 0.299 582 F C 2.354 178.229 175.800 0.125 0.000 1.090 582 F CA 1.588 59.637 58.000 0.081 0.000 1.307 582 F CB -0.811 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 1.445 120.638 119.070 0.205 0.000 2.293 583 H HA -0.146 4.411 4.556 0.001 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 29.510 29.762 0.102 0.000 1.375 583 H HN 0.305 nan 8.280 nan 0.000 0.495 584 K N -0.589 119.799 120.400 -0.021 0.000 2.288 584 K HA -0.058 4.263 4.320 0.001 0.000 0.201 584 K C 0.855 177.433 176.600 -0.037 0.000 1.048 584 K CA 1.477 57.695 56.287 -0.116 0.000 0.956 584 K CB 0.220 32.668 32.500 -0.087 0.000 0.746 584 K HN 0.128 nan 8.250 nan 0.000 0.461 585 D N 0.758 121.175 120.400 0.029 0.000 2.336 585 D HA 0.046 4.687 4.640 0.001 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 0.041 0.000 0.875 585 D CB 0.568 41.400 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 0.067 0.000 2.245 586 G HA2 -0.423 3.538 3.960 0.001 0.000 0.264 586 G HA3 -0.423 3.538 3.960 0.001 0.000 0.264 586 G C 1.391 176.353 174.900 0.103 0.000 0.985 586 G CA 0.766 45.909 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 1.851 587 A HA 0.367 4.688 4.320 0.001 0.000 0.216 587 A C 1.421 179.064 177.584 0.099 0.000 1.195 587 A CA 1.807 53.931 52.037 0.144 0.000 0.622 587 A CB -0.159 19.005 19.000 0.273 0.000 0.831 587 A HN 1.276 nan 8.150 nan 0.000 0.444 588 L N 0.970 122.287 121.223 0.155 0.000 2.282 588 L HA 0.305 4.645 4.340 0.001 0.000 0.287 588 L C 1.188 178.155 176.870 0.162 0.000 1.075 588 L CA 0.400 55.304 54.840 0.106 0.000 0.839 588 L CB 0.341 42.474 42.059 0.124 0.000 1.219 588 L HN 0.344 nan 8.230 nan 0.000 0.434 589 T N 2.877 117.485 114.554 0.090 0.000 2.652 589 T HA -0.121 4.230 4.350 0.001 0.000 0.267 589 T C 0.341 175.099 174.700 0.096 0.000 1.039 589 T CA 1.530 63.694 62.100 0.105 0.000 1.153 589 T CB -0.118 68.792 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 4.814 4.340 0.001 0.000 0.268 590 Q C -1.564 174.232 176.000 -0.339 0.000 1.015 590 Q CA -0.279 55.405 55.803 -0.197 0.000 0.775 590 Q CB 2.425 31.075 28.738 -0.147 0.000 1.256 590 Q HN 0.247 nan 8.270 nan 0.000 0.442 591 L N 3.632 124.553 121.223 -0.504 0.000 2.288 591 L HA 0.359 4.700 4.340 0.001 0.000 0.283 591 L C -0.966 175.759 176.870 -0.240 0.000 1.072 591 L CA -0.361 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 4.193 122.721 118.700 -0.286 0.000 2.485 592 N HA 0.278 5.018 4.740 0.001 0.000 0.243 592 N C -0.824 174.587 175.510 -0.166 0.000 0.987 592 N CA -0.166 52.736 53.050 -0.246 0.000 0.940 592 N CB 1.972 40.172 38.487 -0.480 0.000 1.122 592 N HN 0.185 nan 8.380 nan 0.000 0.509 593 V N 1.077 120.876 119.914 -0.190 0.000 2.448 593 V HA 0.649 4.770 4.120 0.001 0.000 0.295 593 V C 0.094 175.828 176.094 -0.600 0.000 1.025 593 V CA -1.117 60.912 62.300 -0.451 0.000 0.859 593 V CB 1.462 32.901 31.823 -0.639 0.000 0.988 593 V HN 0.632 nan 8.190 nan 0.000 0.431 594 A N 5.000 127.464 122.820 -0.594 0.000 2.249 594 A HA 0.820 5.141 4.320 0.001 0.000 0.314 594 A C -0.868 176.382 177.584 -0.556 0.000 1.290 594 A CA -0.276 51.520 52.037 -0.403 0.000 0.893 594 A CB 0.067 18.967 19.000 -0.166 0.000 1.165 594 A HN 0.640 nan 8.150 nan 0.000 0.530 595 F N 2.689 122.579 119.950 -0.101 0.000 2.303 595 F HA 0.212 4.740 4.527 0.001 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 1.313 40.273 39.000 -0.067 0.000 1.362 595 F HN 0.682 nan 8.300 nan 0.000 0.511 596 S N 1.979 117.720 115.700 0.067 0.000 2.474 596 S HA -0.090 4.380 4.470 0.001 0.000 0.235 596 S C 1.435 176.039 174.600 0.006 0.000 0.997 596 S CA 0.727 58.952 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 0.142 120.670 120.500 0.046 0.000 2.535 597 R HA 0.310 4.651 4.340 0.001 0.000 0.323 597 R C 0.841 177.150 176.300 0.015 0.000 0.979 597 R CA -0.023 56.092 56.100 0.024 0.000 1.120 597 R CB 0.279 30.602 30.300 0.039 0.000 1.306 597 R HN 0.482 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 4.305 4.350 0.001 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 -1.526 118.261 119.800 -0.022 0.000 2.687 599 Q HA 0.475 4.815 4.340 0.001 0.000 0.305 599 Q C 0.423 176.432 176.000 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 0.679 123.556 122.820 0.095 0.000 1.877 600 A HA -0.083 4.238 4.320 0.001 0.000 0.216 600 A C 0.957 178.597 177.584 0.092 0.000 1.186 600 A CA 1.728 53.815 52.037 0.084 0.000 0.620 600 A CB -1.031 18.018 19.000 0.081 0.000 0.822 600 A HN 0.801 nan 8.150 nan 0.000 0.443 601 H N -0.106 118.930 119.070 -0.057 0.000 2.487 601 H HA 0.509 5.066 4.556 0.001 0.000 0.333 601 H C -0.876 174.383 175.328 -0.116 0.000 1.114 601 H CA -0.721 55.272 56.048 -0.092 0.000 1.310 601 H CB 0.408 30.105 29.762 -0.110 0.000 1.462 601 H HN 0.098 nan 8.280 nan 0.000 0.516 602 K N 2.604 122.853 120.400 -0.252 0.000 2.349 602 K HA 0.248 4.569 4.320 0.001 0.000 0.288 602 K C -0.614 175.686 176.600 -0.501 0.000 1.058 602 K CA -0.453 55.585 56.287 -0.416 0.000 0.953 602 K CB 0.940 33.111 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 4.348 4.120 0.001 0.000 0.279 603 V C -0.571 175.548 176.094 0.042 0.000 1.029 603 V CA -0.694 61.542 62.300 -0.106 0.000 0.870 603 V CB 0.133 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 2.725 123.055 120.300 0.050 0.000 2.587 604 Y HA 0.408 4.959 4.550 0.001 0.000 0.337 604 Y C 1.204 176.934 175.900 -0.284 0.000 1.065 604 Y CA -1.323 56.635 58.100 -0.237 0.000 1.126 604 Y CB 1.720 39.943 38.460 -0.395 0.000 1.279 604 Y HN 0.391 nan 8.280 nan 0.000 0.489 605 V N -0.892 118.975 119.914 -0.078 0.000 2.568 605 V HA -0.263 3.857 4.120 0.001 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 4.221 4.340 0.001 0.000 0.203 606 Q C 2.216 178.079 176.000 -0.228 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 -0.326 0.000 0.907 606 Q HN 0.793 nan 8.270 nan 0.000 0.433 607 H N -0.022 119.029 119.070 -0.032 0.000 2.389 607 H HA -0.014 4.543 4.556 0.001 0.000 0.299 607 H C 1.921 177.241 175.328 -0.014 0.000 1.081 607 H CA 1.012 57.048 56.048 -0.020 0.000 1.345 607 H CB -0.232 29.528 29.762 -0.003 0.000 1.393 607 H HN 0.229 nan 8.280 nan 0.000 0.520 608 L N 0.021 121.295 121.223 0.084 0.000 2.156 608 L HA -0.093 4.248 4.340 0.001 0.000 0.208 608 L C 2.511 179.402 176.870 0.035 0.000 1.095 608 L CA 0.517 55.432 54.840 0.126 0.000 0.770 608 L CB -0.387 41.813 42.059 0.236 0.000 0.914 608 L HN 0.160 nan 8.230 nan 0.000 0.439 609 L N -0.030 121.060 121.223 -0.222 0.000 2.017 609 L HA -0.220 4.120 4.340 0.001 0.000 0.208 609 L C 2.700 179.456 176.870 -0.190 0.000 1.073 609 L CA 1.146 55.727 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 0.547 120.880 120.400 -0.112 0.000 2.097 610 K HA -0.209 4.112 4.320 0.001 0.000 0.206 610 K C 2.182 178.808 176.600 0.044 0.000 1.049 610 K CA 1.379 57.657 56.287 -0.015 0.000 0.933 610 K CB -0.233 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 0.315 120.850 120.500 0.058 0.000 2.083 611 R HA -0.119 4.222 4.340 0.001 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 0.550 121.012 120.400 0.103 0.000 2.370 612 D HA -0.016 4.624 4.640 0.001 0.000 0.230 612 D C 1.329 177.677 176.300 0.080 0.000 1.143 612 D CA 0.044 54.122 54.000 0.130 0.000 0.834 612 D CB 0.091 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 4.089 4.340 0.001 0.000 0.245 613 R C 1.762 177.832 176.300 -0.382 0.000 1.137 613 R CA 1.345 57.412 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 4.075 4.350 0.001 0.000 0.194 614 E C 2.090 178.583 176.600 -0.177 0.000 0.997 614 E CA 1.643 57.650 56.400 -0.655 0.000 0.801 614 E CB -0.115 29.454 29.700 -0.219 0.000 0.746 614 E HN 0.535 nan 8.360 nan 0.000 0.450 615 H N -0.336 118.680 119.070 -0.091 0.000 2.326 615 H HA -0.086 4.471 4.556 0.001 0.000 0.301 615 H C 1.842 177.194 175.328 0.040 0.000 1.081 615 H CA 1.365 57.414 56.048 0.003 0.000 1.334 615 H CB -0.210 29.576 29.762 0.040 0.000 1.385 615 H HN 0.129 nan 8.280 nan 0.000 0.504 616 L N 0.118 121.348 121.223 0.013 0.000 2.081 616 L HA -0.216 4.125 4.340 0.001 0.000 0.212 616 L C 2.430 179.341 176.870 0.069 0.000 1.080 616 L CA 1.692 56.555 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 4.452 4.660 0.001 0.000 0.294 617 W C 2.210 178.704 176.519 -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 0.014 120.363 120.400 -0.084 0.000 2.097 618 K HA -0.218 4.102 4.320 0.001 0.000 0.206 618 K C 1.912 178.394 176.600 -0.195 0.000 1.049 618 K CA 1.316 57.520 56.287 -0.138 0.000 0.933 618 K CB -0.417 32.054 32.500 -0.049 0.000 0.717 618 K HN 0.064 nan 8.250 nan 0.000 0.442 619 L N 1.082 122.165 121.223 -0.233 0.000 2.005 619 L HA -0.110 4.231 4.340 0.001 0.000 0.207 619 L C 2.105 178.881 176.870 -0.156 0.000 1.072 619 L CA 1.525 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 -1.579 118.901 120.570 -0.150 0.000 2.226 620 I HA -0.346 3.825 4.170 0.001 0.000 0.245 620 I C 2.567 178.547 176.117 -0.227 0.000 1.100 620 I CA 1.471 62.685 61.300 -0.143 0.000 1.374 620 I CB -0.442 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 0.585 119.304 119.070 -0.585 0.000 2.415 621 H HA 0.009 4.565 4.556 0.001 0.000 0.297 621 H C 1.704 176.819 175.328 -0.354 0.000 1.048 621 H CA 1.212 56.856 56.048 -0.672 0.000 1.365 621 H CB 0.613 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 -0.954 119.099 120.200 -0.244 0.000 2.290 622 E HA 0.069 4.420 4.350 0.001 0.000 0.199 622 E C 1.975 178.499 176.600 -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 0.395 109.127 108.800 -0.115 0.000 2.880 623 G HA2 0.154 4.115 3.960 0.001 0.000 0.209 623 G HA3 0.154 4.115 3.960 0.001 0.000 0.209 623 G C 1.005 175.868 174.900 -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 -0.134 108.612 108.800 -0.089 0.000 2.314 624 G HA2 0.132 4.093 3.960 0.001 0.000 0.292 624 G HA3 0.132 4.093 3.960 0.001 0.000 0.292 624 G C 0.482 175.389 174.900 0.011 0.000 1.059 624 G CA 0.328 45.392 45.100 -0.060 0.000 0.982 624 G HN 1.228 nan 8.290 nan 0.000 0.505 625 A N 0.426 123.230 122.820 -0.026 0.000 2.386 625 A HA 0.645 4.966 4.320 0.001 0.000 0.248 625 A C 0.433 178.028 177.584 0.018 0.000 1.082 625 A CA -0.185 51.865 52.037 0.020 0.000 0.789 625 A CB 0.424 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 0.330 119.312 119.070 -0.146 0.000 2.457 626 H HA 0.468 5.025 4.556 0.001 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 1.366 30.951 29.762 -0.295 0.000 1.471 626 H HN 0.500 nan 8.280 nan 0.000 0.491 627 I N 3.537 123.763 120.570 -0.573 0.000 2.441 627 I HA 0.175 4.346 4.170 0.001 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 1.070 38.468 38.000 -1.004 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 0.467 5.018 4.550 0.001 0.000 0.326 628 Y C -0.391 175.727 175.900 0.362 0.000 0.978 628 Y CA -0.993 57.227 58.100 0.199 0.000 1.205 628 Y CB 1.632 40.282 38.460 0.316 0.000 1.131 628 Y HN 0.151 nan 8.280 nan 0.000 0.462 629 V N 3.618 123.826 119.914 0.490 0.000 2.311 629 V HA 0.286 4.407 4.120 0.001 0.000 0.275 629 V C -0.173 176.177 176.094 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 32.871 31.823 0.311 0.000 1.012 629 V HN 0.941 nan 8.190 nan 0.000 0.452 630 C N 4.949 124.516 119.300 0.445 0.000 2.411 630 C HA 1.011 5.472 4.460 0.001 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 0.295 28.065 27.740 0.050 0.000 2.297 630 C HN 1.325 nan 8.230 nan 0.000 0.507 631 G N 4.449 113.009 108.800 -0.399 0.000 2.225 631 G HA2 0.092 4.052 3.960 0.001 0.000 0.203 631 G HA3 0.092 4.052 3.960 0.001 0.000 0.203 631 G C -1.043 173.268 174.900 -0.982 0.000 1.335 631 G CA -0.014 44.598 45.100 -0.813 0.000 1.183 631 G HN 0.975 nan 8.290 nan 0.000 0.488 632 D N 1.152 121.147 120.400 -0.675 0.000 2.487 632 D HA 0.539 5.179 4.640 0.001 0.000 0.243 632 D C 1.223 177.297 176.300 -0.377 0.000 1.154 632 D CA 1.264 54.951 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 4.571 127.179 122.820 -0.353 0.000 2.044 633 A HA -0.026 4.294 4.320 0.001 0.000 0.213 633 A C 2.028 179.434 177.584 -0.297 0.000 1.169 633 A CA 0.803 52.641 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 4.274 4.340 0.001 0.000 0.232 634 R C 1.450 177.654 176.300 -0.160 0.000 1.138 634 R CA 2.092 58.080 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 -0.576 118.025 118.700 -0.165 0.000 2.765 635 N HA 0.073 4.814 4.740 0.001 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 -0.095 38.309 38.487 -0.139 0.000 1.527 635 N HN -0.026 nan 8.380 nan 0.000 0.507 636 M N 2.052 121.525 119.600 -0.213 0.000 2.113 636 M HA -0.203 4.278 4.480 0.001 0.000 0.255 636 M C 1.932 178.142 176.300 -0.149 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 4.062 4.320 0.001 0.000 0.218 637 A C 2.086 179.644 177.584 -0.043 0.000 1.188 637 A CA 2.685 54.684 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 -1.338 119.014 120.400 -0.080 0.000 2.228 638 K HA -0.090 4.230 4.320 0.001 0.000 0.202 638 K C 0.876 177.437 176.600 -0.065 0.000 1.051 638 K CA 1.377 57.624 56.287 -0.066 0.000 0.960 638 K CB -0.215 32.246 32.500 -0.064 0.000 0.743 638 K HN 0.230 nan 8.250 nan 0.000 0.458 639 D N 1.478 121.831 120.400 -0.078 0.000 2.097 639 D HA -0.094 4.547 4.640 0.001 0.000 0.197 639 D C 2.076 178.313 176.300 -0.105 0.000 0.984 639 D CA 1.002 54.954 54.000 -0.079 0.000 0.826 639 D CB -0.123 40.620 40.800 -0.095 0.000 0.973 639 D HN 0.032 nan 8.370 nan 0.000 0.460 640 V N 0.779 120.631 119.914 -0.102 0.000 2.490 640 V HA -0.246 3.874 4.120 0.001 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 4.132 4.340 0.001 0.000 0.200 641 Q C 2.241 177.924 176.000 -0.528 0.000 0.978 641 Q CA 1.822 57.518 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 -0.303 118.204 118.700 -0.321 0.000 2.137 642 N HA -0.140 4.601 4.740 0.001 0.000 0.190 642 N C 1.678 177.186 175.510 -0.003 0.000 1.017 642 N CA 1.868 54.877 53.050 -0.068 0.000 0.859 642 N CB -0.524 38.002 38.487 0.065 0.000 1.002 642 N HN 0.292 nan 8.380 nan 0.000 0.428 643 T N 0.582 115.066 114.554 -0.116 0.000 2.737 643 T HA -0.025 4.326 4.350 0.001 0.000 0.265 643 T C 1.645 176.276 174.700 -0.116 0.000 1.038 643 T CA 0.736 62.742 62.100 -0.157 0.000 1.144 643 T CB -0.359 68.308 68.868 -0.334 0.000 0.866 643 T HN 0.097 nan 8.240 nan 0.000 0.434 644 F N 0.443 120.400 119.950 0.012 0.000 2.216 644 F HA 0.001 4.528 4.527 0.001 0.000 0.300 644 F C 2.122 178.060 175.800 0.229 0.000 1.085 644 F CA 0.245 58.312 58.000 0.111 0.000 1.326 644 F CB -0.823 38.261 39.000 0.141 0.000 1.027 644 F HN 0.146 nan 8.300 nan 0.000 0.497 645 Y N 0.552 121.039 120.300 0.311 0.000 2.145 645 Y HA -0.220 4.331 4.550 0.001 0.000 0.286 645 Y C 2.310 178.310 175.900 0.168 0.000 1.145 645 Y CA 0.993 59.226 58.100 0.222 0.000 1.148 645 Y CB -1.244 37.337 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 4.487 4.640 0.001 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 3.928 4.170 0.001 0.000 0.245 647 I C 2.363 178.528 176.117 0.080 0.000 1.097 647 I CA 0.702 62.138 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 0.962 120.931 119.914 0.091 0.000 2.307 648 V HA -0.238 3.883 4.120 0.001 0.000 0.245 648 V C 2.681 178.565 176.094 -0.350 0.000 1.045 648 V CA 1.900 64.104 62.300 -0.161 0.000 1.024 648 V CB -0.917 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 -0.622 122.120 122.820 -0.130 0.000 2.076 649 A HA -0.260 4.061 4.320 0.001 0.000 0.220 649 A C 2.245 179.677 177.584 -0.252 0.000 1.160 649 A CA 2.074 54.028 52.037 -0.139 0.000 0.653 649 A CB -0.356 18.636 19.000 -0.014 0.000 0.801 649 A HN 0.701 nan 8.150 nan 0.000 0.455 650 E N -1.648 118.340 120.200 -0.353 0.000 2.132 650 E HA 0.027 4.377 4.350 0.001 0.000 0.193 650 E C 1.044 177.150 176.600 -0.823 0.000 0.951 650 E CA 0.300 56.371 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 0.245 119.715 119.950 -0.802 0.000 2.797 651 F HA 0.305 4.833 4.527 0.001 0.000 0.302 651 F C 0.933 176.172 175.800 -0.935 0.000 1.130 651 F CA 0.558 57.950 58.000 -1.014 0.000 1.387 651 F CB 1.357 39.479 39.000 -1.465 0.000 1.107 651 F HN 0.024 nan 8.300 nan 0.000 0.577 652 G N 0.565 108.941 108.800 -0.706 0.000 3.329 652 G HA2 0.344 4.305 3.960 0.001 0.000 0.313 652 G HA3 0.344 4.305 3.960 0.001 0.000 0.313 652 G C -2.838 171.901 174.900 -0.267 0.000 1.611 652 G CA -1.434 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 4.736 4.480 0.001 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 2.635 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 1.098 121.276 120.200 -0.036 0.000 2.349 655 E HA 0.087 4.438 4.350 0.001 0.000 0.262 655 E C 0.626 177.229 176.600 0.005 0.000 1.088 655 E CA 0.054 56.447 56.400 -0.011 0.000 0.899 655 E CB 0.681 30.376 29.700 -0.008 0.000 1.044 655 E HN 0.706 nan 8.360 nan 0.000 0.420 656 H N 1.969 121.002 119.070 -0.061 0.000 2.261 656 H HA -0.241 4.315 4.556 0.001 0.000 0.290 656 H C 1.685 176.949 175.328 -0.106 0.000 1.081 656 H CA 3.265 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 -0.818 113.597 114.554 -0.232 0.000 2.721 657 T HA -0.255 4.095 4.350 0.001 0.000 0.268 657 T C 1.987 176.559 174.700 -0.213 0.000 1.038 657 T CA 2.017 63.953 62.100 -0.273 0.000 1.145 657 T CB -0.567 68.232 68.868 -0.115 0.000 0.858 657 T HN 0.515 nan 8.240 nan 0.000 0.459 658 Q N 0.957 120.685 119.800 -0.120 0.000 2.084 658 Q HA 0.051 4.392 4.340 0.001 0.000 0.202 658 Q C 2.857 178.842 176.000 -0.026 0.000 0.978 658 Q CA 1.493 57.266 55.803 -0.050 0.000 0.844 658 Q CB -0.460 28.265 28.738 -0.021 0.000 0.898 658 Q HN 0.779 nan 8.270 nan 0.000 0.426 659 A N 0.690 123.461 122.820 -0.083 0.000 1.930 659 A HA -0.122 4.198 4.320 0.001 0.000 0.217 659 A C 2.312 179.886 177.584 -0.016 0.000 1.175 659 A CA 1.419 53.458 52.037 0.004 0.000 0.627 659 A CB -0.782 18.227 19.000 0.014 0.000 0.815 659 A HN 0.342 nan 8.150 nan 0.000 0.443 660 V N -1.743 117.929 119.914 -0.403 0.000 2.427 660 V HA -0.181 3.940 4.120 0.001 0.000 0.248 660 V C 1.624 177.633 176.094 -0.142 0.000 1.051 660 V CA 2.454 64.394 62.300 -0.599 0.000 1.048 660 V CB -0.820 30.441 31.823 -0.937 0.000 0.666 660 V HN 0.382 nan 8.190 nan 0.000 0.456 661 D N -0.672 119.681 120.400 -0.079 0.000 2.183 661 D HA -0.102 4.538 4.640 0.001 0.000 0.203 661 D C 1.880 178.226 176.300 0.077 0.000 0.969 661 D CA 1.742 55.740 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 4.327 4.550 0.001 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 0.659 120.750 119.914 0.294 0.000 2.358 663 V HA -0.265 3.856 4.120 0.001 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 -0.555 31.552 31.823 0.473 0.000 0.658 663 V HN 0.307 nan 8.190 nan 0.000 0.452 664 K N 0.095 120.518 120.400 0.039 0.000 2.283 664 K HA -0.164 4.156 4.320 0.001 0.000 0.202 664 K C 2.133 178.700 176.600 -0.055 0.000 1.048 664 K CA 0.864 57.135 56.287 -0.026 0.000 0.948 664 K CB -0.103 32.391 32.500 -0.010 0.000 0.742 664 K HN 0.170 nan 8.250 nan 0.000 0.458 665 K N 1.361 121.712 120.400 -0.081 0.000 2.288 665 K HA 0.027 4.348 4.320 0.001 0.000 0.201 665 K C 1.625 178.128 176.600 -0.162 0.000 1.048 665 K CA 0.690 56.907 56.287 -0.116 0.000 0.956 665 K CB 0.015 32.431 32.500 -0.140 0.000 0.746 665 K HN 0.056 nan 8.250 nan 0.000 0.461 666 L N -0.394 120.715 121.223 -0.189 0.000 2.109 666 L HA -0.065 4.275 4.340 0.001 0.000 0.207 666 L C 2.156 178.960 176.870 -0.111 0.000 1.086 666 L CA 1.014 55.742 54.840 -0.185 0.000 0.760 666 L CB -0.291 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 -1.197 118.358 119.600 -0.076 0.000 2.296 667 M HA -0.127 4.354 4.480 0.001 0.000 0.265 667 M C 2.097 178.379 176.300 -0.029 0.000 1.064 667 M CA 1.413 56.688 55.300 -0.040 0.000 1.109 667 M CB -0.502 32.057 32.600 -0.067 0.000 1.396 667 M HN 0.147 nan 8.290 nan 0.000 0.430 668 T N 0.738 115.266 114.554 -0.044 0.000 2.857 668 T HA -0.058 4.293 4.350 0.001 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 -0.058 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 0.741 121.099 120.400 -0.071 0.000 2.437 669 K HA 0.361 4.682 4.320 0.001 0.000 0.198 669 K C 1.096 177.650 176.600 -0.078 0.000 1.024 669 K CA 0.175 56.419 56.287 -0.071 0.000 1.148 669 K CB 0.379 32.818 32.500 -0.102 0.000 0.860 669 K HN 0.300 nan 8.250 nan 0.000 0.515 670 G N 2.198 110.954 108.800 -0.073 0.000 2.221 670 G HA2 -0.281 3.679 3.960 0.001 0.000 0.265 670 G HA3 -0.281 3.679 3.960 0.001 0.000 0.265 670 G C 0.686 175.423 174.900 -0.273 0.000 1.041 670 G CA 0.012 45.071 45.100 -0.069 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 4.483 4.340 0.001 0.000 0.193 671 R C 0.082 176.117 176.300 -0.441 0.000 0.929 671 R CA 0.297 56.013 56.100 -0.639 0.000 1.038 671 R CB 0.493 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 1.341 121.427 120.300 -0.356 0.000 2.526 672 Y HA 0.342 4.892 4.550 0.001 0.000 0.328 672 Y C -1.012 174.800 175.900 -0.147 0.000 0.995 672 Y CA -1.356 56.574 58.100 -0.284 0.000 1.304 672 Y CB 0.911 39.238 38.460 -0.222 0.000 1.096 672 Y HN -0.208 nan 8.280 nan 0.000 0.499 673 S N 5.963 121.702 115.700 0.066 0.000 2.508 673 S HA 0.709 5.180 4.470 0.001 0.000 0.284 673 S C -0.648 174.295 174.600 0.573 0.000 1.192 673 S CA -0.565 57.804 58.200 0.281 0.000 1.070 673 S CB 1.269 64.581 63.200 0.186 0.000 1.004 673 S HN 0.542 nan 8.310 nan 0.000 0.493 674 L N 1.967 123.529 121.223 0.565 0.000 2.313 674 L HA 0.661 5.002 4.340 0.001 0.000 0.268 674 L C -0.146 176.874 176.870 0.250 0.000 1.010 674 L CA -0.324 54.799 54.840 0.471 0.000 0.814 674 L CB 1.226 43.474 42.059 0.314 0.000 1.304 674 L HN 0.596 nan 8.230 nan 0.000 0.441 675 D N 0.749 121.165 120.400 0.027 0.000 3.449 675 D HA 0.262 4.903 4.640 0.001 0.000 0.262 675 D C -1.246 175.107 176.300 0.088 0.000 1.343 675 D CA -0.172 53.709 54.000 -0.198 0.000 0.787 675 D CB 0.651 40.809 40.800 -1.070 0.000 1.412 675 D HN 0.245 nan 8.370 nan 0.000 0.652 676 V N -0.565 119.435 119.914 0.145 0.000 2.975 676 V HA 1.039 5.160 4.120 0.001 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 1.484 33.264 31.823 -0.072 0.000 1.066 676 V HN 0.346 nan 8.190 nan 0.000 0.452 677 W N 0.928 122.231 121.300 0.006 0.000 3.121 677 W HA 0.911 5.571 4.660 0.001 0.000 0.415 677 W C -0.833 175.690 176.519 0.007 0.000 1.059 677 W CA -0.269 57.103 57.345 0.044 0.000 1.185 677 W CB 0.481 29.942 29.460 0.002 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 4.471 4.470 0.001 0.000 0.327 678 S CA 0.000 58.305 58.200 0.176 0.000 1.107 678 S CB 0.000 63.267 63.200 0.111 0.000 0.593 678 S HN 0.000 nan 8.310 nan 0.000 0.517