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 1adi_1_A DATA FIRST_RESID 1 DATA SEQUENCE GNNVVVLGTQ WGDEGKGKIV DLLTERAKYV VRYQGGHNAG HTLVINGEKT DATA SEQUENCE VLHLIPSGIL RENVTSIIGN GVVLSPAALM KEMKELEDRG IPVRERLLLS DATA SEQUENCE EACPLILDYH VALDNAREKA RGAKAIGTTG RGIGPAYEDK VARRGLRVGD DATA SEQUENCE LFDKETFAEK LKEVMEYHNF QLVNYYKAEA VDYQKVLDDT MAVADILTSM DATA SEQUENCE VVDVSDLLDQ ARQRGDFVMF EGAQGTLLDI DHGTYPYVTS SNTTAGGVAT DATA SEQUENCE GSGLGPRYVD YVLGILKAYS TRVGAGPFPT ELFDETGEFL CKQGNEFGAT DATA SEQUENCE TGRRRRTGWL DTVAVRRAVQ LNSLSGFCLT KLDVLDGLKE VKLCVAYRMP DATA SEQUENCE DGREVTTTPL AADDWKGVEP IYETMPGWSE STFGVKDRSG LPQAALNYIK DATA SEQUENCE RIEELTGVPI DIISTGPDRT ETMILRDPFD A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1 G C 0.000 174.940 174.900 0.067 0.000 0.946 1 G CA 0.000 45.133 45.100 0.054 0.000 0.502 2 N N -0.826 118.001 118.700 0.213 0.000 2.300 2 N HA -0.164 nan 4.740 nan 0.000 0.179 2 N C -0.517 175.232 175.510 0.399 0.000 1.016 2 N CA 1.460 54.748 53.050 0.397 0.000 0.876 2 N CB 0.511 39.286 38.487 0.481 0.000 0.979 2 N HN 0.173 8.678 8.380 0.207 0.000 0.432 3 N N -0.496 118.375 118.700 0.285 0.000 2.485 3 N HA 0.350 nan 4.740 nan 0.000 0.243 3 N C -2.169 173.476 175.510 0.226 0.000 0.987 3 N CA -0.051 53.208 53.050 0.349 0.000 0.940 3 N CB 0.631 39.332 38.487 0.357 0.000 1.122 3 N HN -0.048 8.870 8.380 0.230 -0.400 0.509 4 V N 4.728 124.754 119.914 0.186 0.000 2.555 4 V HA 0.689 nan 4.120 nan 0.000 0.302 4 V C -1.543 174.691 176.094 0.235 0.000 1.038 4 V CA -1.121 61.188 62.300 0.015 0.000 0.887 4 V CB 3.013 34.489 31.823 -0.578 0.000 0.991 4 V HN 0.983 9.343 8.190 0.282 0.000 0.434 5 V N 7.141 127.161 119.914 0.176 0.000 2.384 5 V HA 0.637 nan 4.120 nan 0.000 0.287 5 V C -1.306 174.881 176.094 0.156 0.000 1.020 5 V CA -1.025 61.402 62.300 0.212 0.000 0.850 5 V CB 1.641 33.496 31.823 0.055 0.000 0.987 5 V HN 0.724 8.985 8.190 0.118 0.000 0.436 6 V N 8.413 128.443 119.914 0.194 0.000 2.370 6 V HA 0.857 nan 4.120 nan 0.000 0.279 6 V C -1.574 174.614 176.094 0.157 0.000 1.029 6 V CA -1.111 61.275 62.300 0.144 0.000 0.870 6 V CB -0.279 31.618 31.823 0.123 0.000 0.984 6 V HN 1.058 9.297 8.190 0.265 0.110 0.451 7 L N 1.790 123.083 121.223 0.116 0.000 2.622 7 L HA 0.865 nan 4.340 nan 0.000 0.258 7 L C -1.811 175.101 176.870 0.071 0.000 0.996 7 L CA -1.202 53.700 54.840 0.103 0.000 0.858 7 L CB 3.653 45.791 42.059 0.130 0.000 1.449 7 L HN 0.556 8.845 8.230 0.098 0.000 0.411 8 G N -1.883 106.946 108.800 0.049 0.000 2.395 8 G HA2 0.294 nan 3.960 nan 0.000 0.283 8 G HA3 0.294 nan 3.960 nan 0.000 0.283 8 G C -0.613 174.288 174.900 0.002 0.000 1.178 8 G CA -0.595 44.520 45.100 0.025 0.000 0.837 8 G HN 0.553 8.874 8.290 0.050 0.000 0.518 9 T N -1.254 113.296 114.554 -0.006 0.000 3.105 9 T HA 0.259 nan 4.350 nan 0.000 0.253 9 T C 0.097 174.705 174.700 -0.154 0.000 1.047 9 T CA -0.025 62.052 62.100 -0.037 0.000 0.944 9 T CB -0.371 68.531 68.868 0.057 0.000 1.016 9 T HN 0.195 8.439 8.240 0.007 0.000 0.544 10 Q N -0.296 119.391 119.800 -0.189 0.000 3.079 10 Q HA 0.272 nan 4.340 nan 0.000 0.210 10 Q C -0.582 175.151 176.000 -0.445 0.000 1.169 10 Q CA 0.133 55.709 55.803 -0.379 0.000 0.315 10 Q CB 2.404 31.044 28.738 -0.165 0.000 5.815 10 Q HN -0.561 7.876 8.270 -0.113 -0.234 0.311 11 W N -2.536 118.697 121.300 -0.112 0.000 2.506 11 W HA 0.263 nan 4.660 nan 0.000 0.394 11 W C -0.456 175.999 176.519 -0.107 0.000 0.920 11 W CA -0.759 56.508 57.345 -0.130 0.000 2.221 11 W CB 0.738 30.063 29.460 -0.225 0.000 1.197 11 W HN 0.345 8.614 8.180 0.148 0.000 0.627 12 G N -0.411 108.436 108.800 0.078 0.000 2.631 12 G HA2 -0.304 nan 3.960 nan 0.000 0.504 12 G HA3 -0.304 nan 3.960 nan 0.000 0.504 12 G C -2.051 172.861 174.900 0.020 0.000 1.306 12 G CA -0.586 44.539 45.100 0.041 0.000 0.897 12 G HN -0.301 8.300 8.290 0.030 -0.293 0.520 13 D N -3.394 117.006 120.400 -0.001 0.000 3.059 13 D HA -0.386 nan 4.640 nan 0.000 0.213 13 D C 0.988 177.260 176.300 -0.046 0.000 1.144 13 D CA 1.996 55.981 54.000 -0.025 0.000 0.975 13 D CB -0.428 40.355 40.800 -0.028 0.000 1.125 13 D HN 0.394 8.766 8.370 0.003 0.000 0.412 14 E N -1.376 118.802 120.200 -0.037 0.000 2.338 14 E HA -0.170 nan 4.350 nan 0.000 0.197 14 E C 0.550 177.123 176.600 -0.045 0.000 1.007 14 E CA 1.099 57.468 56.400 -0.052 0.000 0.849 14 E CB -0.189 29.491 29.700 -0.032 0.000 0.774 14 E HN 0.208 8.479 8.360 -0.019 0.078 0.506 15 G N -2.076 106.702 108.800 -0.037 0.000 2.623 15 G HA2 -0.287 nan 3.960 nan 0.000 0.281 15 G HA3 -0.287 nan 3.960 nan 0.000 0.281 15 G C -0.016 174.866 174.900 -0.029 0.000 1.087 15 G CA 0.226 45.303 45.100 -0.040 0.000 1.244 15 G HN 0.054 8.279 8.290 -0.033 0.045 0.544 16 K N 0.100 120.485 120.400 -0.026 0.000 2.361 16 K HA 0.044 nan 4.320 nan 0.000 0.196 16 K C 1.339 177.929 176.600 -0.016 0.000 1.039 16 K CA 0.242 56.529 56.287 0.001 0.000 1.001 16 K CB -0.145 32.374 32.500 0.033 0.000 0.795 16 K HN 0.124 8.357 8.250 -0.029 0.000 0.495 17 G N 1.791 110.521 108.800 -0.116 0.000 2.553 17 G HA2 -0.337 nan 3.960 nan 0.000 0.218 17 G HA3 -0.337 nan 3.960 nan 0.000 0.218 17 G C 1.224 176.058 174.900 -0.109 0.000 1.195 17 G CA 1.930 46.854 45.100 -0.292 0.000 0.779 17 G HN 0.226 8.401 8.290 -0.121 0.042 0.577 18 K N 1.344 121.703 120.400 -0.068 0.000 2.009 18 K HA -0.230 nan 4.320 nan 0.000 0.210 18 K C 2.246 178.863 176.600 0.029 0.000 1.049 18 K CA 2.934 59.214 56.287 -0.011 0.000 0.929 18 K CB -0.269 32.221 32.500 -0.017 0.000 0.714 18 K HN -0.074 8.127 8.250 -0.082 0.000 0.440 19 I N -1.140 119.446 120.570 0.026 0.000 2.163 19 I HA -0.457 nan 4.170 nan 0.000 0.243 19 I C 1.824 177.986 176.117 0.076 0.000 1.085 19 I CA 4.139 65.465 61.300 0.043 0.000 1.347 19 I CB -0.069 37.954 38.000 0.038 0.000 1.044 19 I HN -0.360 7.855 8.210 0.009 0.000 0.408 20 V N 0.218 120.195 119.914 0.106 0.000 2.332 20 V HA -0.598 nan 4.120 nan 0.000 0.248 20 V C 1.932 178.120 176.094 0.156 0.000 1.055 20 V CA 4.824 67.214 62.300 0.150 0.000 1.038 20 V CB -1.129 30.823 31.823 0.214 0.000 0.651 20 V HN 0.545 8.789 8.190 0.090 0.000 0.450 21 D N -0.238 120.271 120.400 0.183 0.000 2.144 21 D HA -0.220 nan 4.640 nan 0.000 0.199 21 D C 2.230 178.581 176.300 0.085 0.000 0.984 21 D CA 3.651 57.733 54.000 0.137 0.000 0.834 21 D CB -0.402 40.486 40.800 0.146 0.000 0.955 21 D HN -0.047 8.445 8.370 0.203 0.000 0.465 22 L N 0.607 121.876 121.223 0.077 0.000 2.005 22 L HA -0.198 nan 4.340 nan 0.000 0.207 22 L C 1.905 178.824 176.870 0.081 0.000 1.072 22 L CA 3.423 58.299 54.840 0.061 0.000 0.744 22 L CB -0.013 42.074 42.059 0.046 0.000 0.895 22 L HN -0.307 7.886 8.230 0.079 0.085 0.433 23 L N -3.154 118.138 121.223 0.114 0.000 2.131 23 L HA -0.395 nan 4.340 nan 0.000 0.210 23 L C 2.023 179.016 176.870 0.205 0.000 1.092 23 L CA 2.964 57.928 54.840 0.207 0.000 0.759 23 L CB -0.624 41.558 42.059 0.206 0.000 0.903 23 L HN -0.173 8.116 8.230 0.099 0.000 0.435 24 T N -1.319 113.311 114.554 0.127 0.000 3.541 24 T HA -0.163 nan 4.350 nan 0.000 0.255 24 T C 0.820 175.534 174.700 0.025 0.000 1.158 24 T CA 2.424 64.568 62.100 0.073 0.000 1.000 24 T CB -1.629 67.269 68.868 0.050 0.000 1.008 24 T HN -0.428 7.866 8.240 0.117 0.016 0.568 25 E N 0.457 120.671 120.200 0.024 0.000 2.290 25 E HA 0.018 nan 4.350 nan 0.000 0.197 25 E C 0.915 177.492 176.600 -0.037 0.000 0.948 25 E CA 1.525 57.922 56.400 -0.005 0.000 0.895 25 E CB 0.477 30.183 29.700 0.010 0.000 0.865 25 E HN -0.623 7.634 8.360 0.052 0.134 0.486 26 R N -2.494 117.965 120.500 -0.068 0.000 2.254 26 R HA 0.069 nan 4.340 nan 0.000 0.193 26 R C -0.039 176.135 176.300 -0.209 0.000 0.929 26 R CA 0.043 56.061 56.100 -0.136 0.000 1.038 26 R CB 1.152 31.341 30.300 -0.184 0.000 1.009 26 R HN -0.441 7.808 8.270 -0.035 0.000 0.512 27 A N -1.117 121.563 122.820 -0.232 0.000 2.561 27 A HA -0.106 nan 4.320 nan 0.000 0.234 27 A C -0.243 177.290 177.584 -0.085 0.000 1.055 27 A CA 0.913 52.877 52.037 -0.122 0.000 0.756 27 A CB 0.746 19.790 19.000 0.073 0.000 0.986 27 A HN -0.572 7.495 8.150 -0.138 0.000 0.505 28 K N 4.432 124.797 120.400 -0.058 0.000 2.244 28 K HA 0.070 nan 4.320 nan 0.000 0.200 28 K C -1.112 175.253 176.600 -0.391 0.000 1.052 28 K CA 0.219 56.369 56.287 -0.228 0.000 0.980 28 K CB 1.924 34.301 32.500 -0.205 0.000 0.838 28 K HN 0.761 8.919 8.250 0.058 0.127 0.481 29 Y N -4.612 115.677 120.300 -0.018 0.000 2.462 29 Y HA 0.452 nan 4.550 nan 0.000 0.346 29 Y C -1.631 174.234 175.900 -0.058 0.000 0.976 29 Y CA -1.180 56.895 58.100 -0.041 0.000 1.044 29 Y CB 3.530 41.956 38.460 -0.058 0.000 1.230 29 Y HN -0.423 7.947 8.280 0.150 0.000 0.455 30 V N 2.521 122.480 119.914 0.075 0.000 2.448 30 V HA 0.671 nan 4.120 nan 0.000 0.295 30 V C -1.823 174.267 176.094 -0.006 0.000 1.025 30 V CA -0.843 61.468 62.300 0.018 0.000 0.859 30 V CB 1.294 33.126 31.823 0.015 0.000 0.988 30 V HN 0.276 8.514 8.190 0.080 0.000 0.431 31 V N 7.561 127.435 119.914 -0.066 0.000 2.604 31 V HA 0.703 nan 4.120 nan 0.000 0.305 31 V C -1.291 174.881 176.094 0.131 0.000 1.043 31 V CA -1.611 60.687 62.300 -0.002 0.000 0.888 31 V CB 3.461 35.222 31.823 -0.105 0.000 0.995 31 V HN 1.264 9.271 8.190 -0.121 0.111 0.429 32 R N 4.896 125.467 120.500 0.118 0.000 2.265 32 R HA 0.569 nan 4.340 nan 0.000 0.319 32 R C -0.225 176.184 176.300 0.181 0.000 1.006 32 R CA -1.829 54.315 56.100 0.074 0.000 0.880 32 R CB 1.149 31.461 30.300 0.021 0.000 1.077 32 R HN 0.206 8.531 8.270 0.091 0.000 0.454 33 Y N -0.253 120.140 120.300 0.155 0.000 2.500 33 Y HA 0.144 nan 4.550 nan 0.000 0.246 33 Y C -1.890 174.090 175.900 0.133 0.000 1.146 33 Y CA -2.060 56.134 58.100 0.156 0.000 1.230 33 Y CB 1.286 39.860 38.460 0.190 0.000 1.214 33 Y HN 0.108 8.161 8.280 -0.378 0.000 0.526 34 Q N -4.578 115.172 119.800 -0.083 0.000 2.738 34 Q HA 0.158 nan 4.340 nan 0.000 0.301 34 Q C -0.673 175.337 176.000 0.015 0.000 0.901 34 Q CA -0.613 55.216 55.803 0.043 0.000 0.756 34 Q CB 2.156 30.948 28.738 0.090 0.000 1.463 34 Q HN -0.727 7.380 8.270 -0.272 0.000 0.432 35 G N -0.179 108.705 108.800 0.139 0.000 2.693 35 G HA2 -0.444 nan 3.960 nan 0.000 0.226 35 G HA3 -0.444 nan 3.960 nan 0.000 0.226 35 G C -1.979 172.984 174.900 0.104 0.000 1.354 35 G CA -0.055 45.122 45.100 0.127 0.000 0.873 35 G HN -0.253 8.193 8.290 0.260 0.000 0.562 36 G N -0.539 108.320 108.800 0.097 0.000 3.324 36 G HA2 0.334 nan 3.960 nan 0.000 0.188 36 G HA3 0.334 nan 3.960 nan 0.000 0.188 36 G C -1.717 173.300 174.900 0.195 0.000 1.384 36 G CA 0.712 45.889 45.100 0.129 0.000 0.841 36 G HN -0.426 8.089 8.290 0.088 -0.171 0.758 37 H N 0.679 119.744 119.070 -0.008 0.000 2.508 37 H HA 0.382 nan 4.556 nan 0.000 0.224 37 H C -1.424 173.882 175.328 -0.037 0.000 1.723 37 H CA -2.574 53.487 56.048 0.021 0.000 1.251 37 H CB -2.117 27.652 29.762 0.012 0.000 1.627 37 H HN 0.180 9.026 8.280 0.944 0.000 0.543 38 N N 1.641 120.354 118.700 0.022 0.000 2.635 38 N HA -0.028 nan 4.740 nan 0.000 0.252 38 N C -1.557 173.998 175.510 0.075 0.000 1.589 38 N CA -0.279 52.730 53.050 -0.069 0.000 0.828 38 N CB -0.709 37.687 38.487 -0.152 0.000 1.403 38 N HN -0.557 7.831 8.380 0.100 0.052 0.518 39 A N -2.244 120.702 122.820 0.209 0.000 2.229 39 A HA 0.232 nan 4.320 nan 0.000 0.211 39 A C 0.507 178.212 177.584 0.201 0.000 1.193 39 A CA -0.015 52.122 52.037 0.166 0.000 0.879 39 A CB 1.158 20.236 19.000 0.129 0.000 0.911 39 A HN -0.313 8.037 8.150 0.334 0.000 0.492 40 G N -0.020 108.998 108.800 0.364 0.000 2.422 40 G HA2 -0.451 nan 3.960 nan 0.000 0.301 40 G HA3 -0.451 nan 3.960 nan 0.000 0.301 40 G C -0.713 174.236 174.900 0.082 0.000 0.981 40 G CA 0.917 46.138 45.100 0.202 0.000 0.994 40 G HN -0.572 8.210 8.290 0.820 0.000 0.514 41 H N 0.962 120.009 119.070 -0.038 0.000 2.742 41 H HA 0.172 nan 4.556 nan 0.000 0.302 41 H C -1.111 174.179 175.328 -0.064 0.000 1.069 41 H CA -0.232 55.797 56.048 -0.033 0.000 1.446 41 H CB 1.716 31.464 29.762 -0.022 0.000 1.462 41 H HN -0.135 8.212 8.280 0.112 0.000 0.499 42 T N 6.644 121.200 114.554 0.002 0.000 2.882 42 T HA 0.520 nan 4.350 nan 0.000 0.287 42 T C -0.843 173.908 174.700 0.084 0.000 0.992 42 T CA -0.210 61.900 62.100 0.017 0.000 1.076 42 T CB 0.773 69.623 68.868 -0.031 0.000 0.961 42 T HN 0.260 8.382 8.240 -0.197 0.000 0.490 43 L N 4.993 126.254 121.223 0.064 0.000 2.359 43 L HA 0.423 nan 4.340 nan 0.000 0.256 43 L C -1.536 175.353 176.870 0.032 0.000 1.026 43 L CA -0.698 54.182 54.840 0.066 0.000 0.828 43 L CB 4.946 47.043 42.059 0.064 0.000 1.406 43 L HN 1.106 9.246 8.230 0.032 0.109 0.413 44 V N 0.783 120.715 119.914 0.030 0.000 2.443 44 V HA 0.546 nan 4.120 nan 0.000 0.293 44 V C -0.944 175.160 176.094 0.016 0.000 1.021 44 V CA -0.849 61.463 62.300 0.020 0.000 0.848 44 V CB 0.575 32.410 31.823 0.020 0.000 0.998 44 V HN 0.149 8.362 8.190 0.038 0.000 0.424 45 I N 7.976 128.553 120.570 0.011 0.000 2.447 45 I HA 0.241 nan 4.170 nan 0.000 0.287 45 I C -0.422 175.698 176.117 0.005 0.000 1.023 45 I CA -1.139 60.165 61.300 0.006 0.000 1.083 45 I CB 3.506 41.507 38.000 0.001 0.000 1.245 45 I HN 1.235 9.322 8.210 0.010 0.128 0.434 46 N N 8.733 127.435 118.700 0.004 0.000 2.707 46 N HA -0.332 nan 4.740 nan 0.000 0.253 46 N C 0.106 175.619 175.510 0.005 0.000 0.998 46 N CA 0.846 53.898 53.050 0.003 0.000 0.751 46 N CB -0.478 38.010 38.487 0.001 0.000 0.920 46 N HN 0.961 9.343 8.380 0.004 0.000 0.539 47 G N -4.834 103.970 108.800 0.007 0.000 2.155 47 G HA2 -0.422 nan 3.960 nan 0.000 0.257 47 G HA3 -0.422 nan 3.960 nan 0.000 0.257 47 G C -1.478 173.427 174.900 0.009 0.000 0.983 47 G CA -0.082 45.023 45.100 0.008 0.000 0.676 47 G HN 0.063 8.357 8.290 0.008 0.000 0.528 48 E N 0.909 121.114 120.200 0.008 0.000 2.199 48 E HA 0.236 nan 4.350 nan 0.000 0.265 48 E C -2.040 174.565 176.600 0.009 0.000 0.882 48 E CA -1.542 54.862 56.400 0.008 0.000 0.759 48 E CB 2.701 32.404 29.700 0.005 0.000 1.148 48 E HN 0.051 8.217 8.360 0.007 0.198 0.412 49 K N 6.723 127.130 120.400 0.010 0.000 2.267 49 K HA 0.272 nan 4.320 nan 0.000 0.282 49 K C -1.325 175.279 176.600 0.007 0.000 1.078 49 K CA -0.469 55.825 56.287 0.011 0.000 0.903 49 K CB 0.463 32.971 32.500 0.013 0.000 1.111 49 K HN 0.394 8.651 8.250 0.011 0.000 0.475 50 T N 5.601 120.156 114.554 0.003 0.000 2.950 50 T HA 0.328 nan 4.350 nan 0.000 0.288 50 T C -2.529 172.156 174.700 -0.025 0.000 1.035 50 T CA -1.854 60.240 62.100 -0.009 0.000 1.028 50 T CB 3.417 72.277 68.868 -0.012 0.000 1.109 50 T HN 0.645 8.774 8.240 0.007 0.116 0.514 51 V N 2.720 122.594 119.914 -0.066 0.000 2.588 51 V HA 0.729 nan 4.120 nan 0.000 0.304 51 V C -0.863 175.066 176.094 -0.275 0.000 1.042 51 V CA -1.328 60.883 62.300 -0.148 0.000 0.877 51 V CB 1.835 33.564 31.823 -0.157 0.000 0.996 51 V HN 0.213 8.367 8.190 -0.060 0.000 0.425 52 L N 5.235 126.308 121.223 -0.250 0.000 2.287 52 L HA 0.436 nan 4.340 nan 0.000 0.287 52 L C -0.233 176.479 176.870 -0.263 0.000 1.022 52 L CA -0.933 53.776 54.840 -0.219 0.000 0.814 52 L CB 1.241 43.240 42.059 -0.099 0.000 1.217 52 L HN 0.979 9.122 8.230 -0.145 0.000 0.420 53 H N 3.274 122.377 119.070 0.054 0.000 2.654 53 H HA 0.270 nan 4.556 nan 0.000 0.264 53 H C 0.590 175.956 175.328 0.064 0.000 0.954 53 H CA 1.911 57.997 56.048 0.064 0.000 1.199 53 H CB 1.687 31.497 29.762 0.080 0.000 1.446 53 H HN 1.191 10.007 8.280 -0.078 -0.583 0.516 54 L N -1.185 120.116 121.223 0.130 0.000 2.638 54 L HA 0.218 nan 4.340 nan 0.000 0.195 54 L C -0.840 176.044 176.870 0.024 0.000 1.065 54 L CA 0.379 55.267 54.840 0.079 0.000 0.859 54 L CB 2.483 44.581 42.059 0.065 0.000 1.269 54 L HN -0.609 8.086 8.230 0.086 -0.413 0.484 55 I N 0.324 120.894 120.570 0.001 0.000 2.598 55 I HA -0.107 nan 4.170 nan 0.000 0.284 55 I C -1.850 174.238 176.117 -0.048 0.000 1.140 55 I CA -0.439 60.848 61.300 -0.022 0.000 1.420 55 I CB -0.786 37.197 38.000 -0.029 0.000 1.387 55 I HN -0.384 8.174 8.210 0.006 -0.345 0.553 56 P HA 0.052 nan 4.420 nan 0.000 0.267 56 P C 0.195 177.414 177.300 -0.135 0.000 1.200 56 P CA -0.153 62.898 63.100 -0.081 0.000 0.772 56 P CB 0.684 32.358 31.700 -0.043 0.000 0.855 57 S N 4.666 120.212 115.700 -0.256 0.000 2.419 57 S HA -0.317 nan 4.470 nan 0.000 0.235 57 S C 2.031 176.529 174.600 -0.170 0.000 1.019 57 S CA 2.937 60.936 58.200 -0.336 0.000 0.982 57 S CB -0.474 62.270 63.200 -0.760 0.000 0.789 57 S HN 0.678 8.808 8.310 -0.301 0.000 0.490 58 G N 0.485 109.214 108.800 -0.118 0.000 2.535 58 G HA2 -0.224 nan 3.960 nan 0.000 0.218 58 G HA3 -0.224 nan 3.960 nan 0.000 0.218 58 G C 0.910 175.773 174.900 -0.061 0.000 1.122 58 G CA 1.235 46.295 45.100 -0.067 0.000 0.769 58 G HN 0.308 8.493 8.290 -0.123 0.031 0.549 59 I N 1.673 122.203 120.570 -0.066 0.000 2.700 59 I HA -0.387 nan 4.170 nan 0.000 0.261 59 I C 0.225 176.314 176.117 -0.046 0.000 1.219 59 I CA 1.579 62.848 61.300 -0.052 0.000 1.463 59 I CB 0.167 38.138 38.000 -0.049 0.000 1.092 59 I HN -0.370 7.619 8.210 -0.082 0.171 0.452 60 L N -2.063 119.131 121.223 -0.048 0.000 2.095 60 L HA -0.236 nan 4.340 nan 0.000 0.204 60 L C 0.736 177.586 176.870 -0.033 0.000 1.080 60 L CA 1.155 55.974 54.840 -0.035 0.000 0.759 60 L CB -0.265 41.777 42.059 -0.028 0.000 0.914 60 L HN -0.650 7.495 8.230 -0.059 0.049 0.439 61 R N -0.936 119.542 120.500 -0.037 0.000 2.538 61 R HA -0.240 nan 4.340 nan 0.000 0.282 61 R C 1.253 177.524 176.300 -0.047 0.000 1.009 61 R CA 0.758 56.835 56.100 -0.039 0.000 1.063 61 R CB 0.249 30.524 30.300 -0.042 0.000 0.945 61 R HN -0.741 7.505 8.270 -0.040 0.000 0.414 62 E N 5.119 125.292 120.200 -0.045 0.000 2.023 62 E HA -0.326 nan 4.350 nan 0.000 0.196 62 E C 1.688 178.249 176.600 -0.064 0.000 1.003 62 E CA 3.069 59.440 56.400 -0.048 0.000 0.809 62 E CB -0.022 29.652 29.700 -0.042 0.000 0.755 62 E HN 0.549 8.885 8.360 -0.039 0.000 0.449 63 N N -1.306 117.349 118.700 -0.075 0.000 2.410 63 N HA 0.009 nan 4.740 nan 0.000 0.231 63 N C -1.765 173.662 175.510 -0.138 0.000 1.172 63 N CA -0.079 52.911 53.050 -0.100 0.000 0.849 63 N CB -0.359 38.069 38.487 -0.099 0.000 1.116 63 N HN 0.116 8.455 8.380 -0.068 0.000 0.485 64 V N -1.518 118.320 119.914 -0.127 0.000 2.769 64 V HA 0.410 nan 4.120 nan 0.000 0.312 64 V C -0.756 175.250 176.094 -0.148 0.000 1.061 64 V CA -1.432 60.773 62.300 -0.157 0.000 0.931 64 V CB 3.166 34.927 31.823 -0.104 0.000 1.010 64 V HN -0.866 7.183 8.190 -0.099 0.082 0.433 65 T N 8.003 122.441 114.554 -0.192 0.000 2.792 65 T HA 0.394 nan 4.350 nan 0.000 0.280 65 T C -1.153 173.549 174.700 0.003 0.000 0.990 65 T CA -1.109 60.937 62.100 -0.090 0.000 0.960 65 T CB 1.709 70.526 68.868 -0.085 0.000 0.939 65 T HN 0.497 8.561 8.240 -0.293 0.000 0.439 66 S N 6.899 122.606 115.700 0.012 0.000 2.457 66 S HA 0.781 nan 4.470 nan 0.000 0.289 66 S C -1.602 173.026 174.600 0.047 0.000 1.163 66 S CA -0.154 58.059 58.200 0.022 0.000 1.078 66 S CB 0.779 63.975 63.200 -0.008 0.000 0.987 66 S HN 0.477 8.786 8.310 -0.001 0.000 0.482 67 I N 5.171 125.776 120.570 0.059 0.000 2.465 67 I HA 0.611 nan 4.170 nan 0.000 0.291 67 I C -1.668 174.482 176.117 0.054 0.000 1.014 67 I CA -0.814 60.523 61.300 0.062 0.000 1.093 67 I CB 3.143 41.189 38.000 0.075 0.000 1.267 67 I HN 0.522 8.764 8.210 0.054 0.000 0.431 68 I N 6.640 127.239 120.570 0.048 0.000 2.306 68 I HA 0.341 nan 4.170 nan 0.000 0.288 68 I C -0.434 175.725 176.117 0.070 0.000 1.036 68 I CA -1.334 59.996 61.300 0.051 0.000 1.221 68 I CB 0.434 38.451 38.000 0.027 0.000 1.385 68 I HN 0.870 8.997 8.210 0.042 0.108 0.472 69 G N 5.641 114.505 108.800 0.107 0.000 2.594 69 G HA2 -0.067 nan 3.960 nan 0.000 0.243 69 G HA3 -0.067 nan 3.960 nan 0.000 0.243 69 G C 0.617 175.587 174.900 0.116 0.000 1.229 69 G CA -1.127 44.053 45.100 0.133 0.000 0.843 69 G HN 0.511 8.874 8.290 0.123 0.000 0.578 70 N N 2.328 121.095 118.700 0.113 0.000 2.334 70 N HA -0.418 nan 4.740 nan 0.000 0.187 70 N C 1.765 177.345 175.510 0.117 0.000 1.016 70 N CA 2.641 55.751 53.050 0.100 0.000 0.879 70 N CB -0.471 38.072 38.487 0.094 0.000 0.965 70 N HN 0.502 8.951 8.380 0.116 0.000 0.438 71 G N -0.621 108.273 108.800 0.157 0.000 2.509 71 G HA2 -0.164 nan 3.960 nan 0.000 0.218 71 G HA3 -0.164 nan 3.960 nan 0.000 0.218 71 G C -0.893 174.112 174.900 0.174 0.000 1.124 71 G CA 0.749 45.967 45.100 0.198 0.000 0.776 71 G HN -0.094 8.174 8.290 0.172 0.125 0.547 72 V N 1.052 121.029 119.914 0.105 0.000 2.649 72 V HA 0.216 nan 4.120 nan 0.000 0.292 72 V C 0.286 176.358 176.094 -0.038 0.000 1.055 72 V CA 0.540 62.867 62.300 0.046 0.000 1.023 72 V CB 0.265 32.109 31.823 0.034 0.000 0.992 72 V HN -0.339 7.761 8.190 0.103 0.152 0.480 73 V N 2.832 122.667 119.914 -0.130 0.000 2.465 73 V HA 0.387 nan 4.120 nan 0.000 0.279 73 V C -1.219 174.792 176.094 -0.138 0.000 1.045 73 V CA -1.808 60.351 62.300 -0.236 0.000 0.938 73 V CB 0.025 31.564 31.823 -0.474 0.000 0.986 73 V HN -0.007 8.133 8.190 -0.084 0.000 0.467 74 L N 5.688 126.838 121.223 -0.123 0.000 2.334 74 L HA 0.540 nan 4.340 nan 0.000 0.276 74 L C -1.724 175.058 176.870 -0.147 0.000 1.014 74 L CA -1.274 53.496 54.840 -0.117 0.000 0.815 74 L CB 4.468 46.482 42.059 -0.076 0.000 1.268 74 L HN 1.083 9.132 8.230 -0.116 0.112 0.428 75 S N 4.247 119.820 115.700 -0.212 0.000 2.566 75 S HA 0.479 nan 4.470 nan 0.000 0.324 75 S C -1.170 173.336 174.600 -0.158 0.000 1.081 75 S CA -4.687 53.375 58.200 -0.230 0.000 1.105 75 S CB 0.850 63.785 63.200 -0.443 0.000 0.981 75 S HN 0.405 8.582 8.310 -0.222 0.000 0.464 76 P HA -0.199 nan 4.420 nan 0.000 0.216 76 P C -0.033 177.220 177.300 -0.078 0.000 1.150 76 P CA 2.622 65.670 63.100 -0.086 0.000 0.837 76 P CB 0.085 31.741 31.700 -0.075 0.000 0.786 77 A N -2.650 120.122 122.820 -0.080 0.000 1.834 77 A HA -0.298 nan 4.320 nan 0.000 0.216 77 A C 1.755 179.305 177.584 -0.057 0.000 1.203 77 A CA 3.020 55.022 52.037 -0.058 0.000 0.621 77 A CB -1.109 17.860 19.000 -0.051 0.000 0.841 77 A HN -0.238 7.847 8.150 -0.089 0.011 0.446 78 A N -0.906 121.855 122.820 -0.098 0.000 1.884 78 A HA -0.347 nan 4.320 nan 0.000 0.219 78 A C 1.947 179.509 177.584 -0.037 0.000 1.197 78 A CA 3.066 55.063 52.037 -0.067 0.000 0.637 78 A CB -0.926 17.947 19.000 -0.212 0.000 0.827 78 A HN -0.293 7.762 8.150 -0.158 0.000 0.450 79 L N -1.256 119.926 121.223 -0.068 0.000 1.944 79 L HA -0.367 nan 4.340 nan 0.000 0.218 79 L C 2.211 179.061 176.870 -0.032 0.000 1.075 79 L CA 3.355 58.168 54.840 -0.046 0.000 0.767 79 L CB -0.726 41.296 42.059 -0.062 0.000 0.890 79 L HN 0.307 8.366 8.230 -0.108 0.106 0.434 80 M N -2.942 116.634 119.600 -0.039 0.000 2.192 80 M HA -0.486 nan 4.480 nan 0.000 0.259 80 M C 2.627 178.916 176.300 -0.018 0.000 1.071 80 M CA 2.432 57.714 55.300 -0.031 0.000 1.082 80 M CB -1.695 30.884 32.600 -0.035 0.000 1.373 80 M HN 0.488 8.629 8.290 -0.051 0.119 0.408 81 K N 0.199 120.593 120.400 -0.010 0.000 1.985 81 K HA -0.387 nan 4.320 nan 0.000 0.210 81 K C 1.968 178.571 176.600 0.005 0.000 1.047 81 K CA 3.619 59.909 56.287 0.005 0.000 0.932 81 K CB -0.111 32.402 32.500 0.023 0.000 0.716 81 K HN 0.383 8.532 8.250 -0.015 0.092 0.439 82 E N -1.313 118.892 120.200 0.007 0.000 2.150 82 E HA -0.371 nan 4.350 nan 0.000 0.193 82 E C 2.396 178.990 176.600 -0.010 0.000 0.985 82 E CA 2.621 59.021 56.400 -0.000 0.000 0.814 82 E CB -0.170 29.530 29.700 0.001 0.000 0.752 82 E HN -0.528 7.838 8.360 0.010 0.000 0.466 83 M N 0.446 120.037 119.600 -0.013 0.000 2.080 83 M HA -0.470 nan 4.480 nan 0.000 0.260 83 M C 1.415 177.706 176.300 -0.015 0.000 1.068 83 M CA 4.111 59.401 55.300 -0.017 0.000 1.109 83 M CB 0.129 32.716 32.600 -0.021 0.000 1.342 83 M HN 0.361 8.629 8.290 -0.013 0.014 0.405 84 K N -1.393 119.000 120.400 -0.012 0.000 2.009 84 K HA -0.420 nan 4.320 nan 0.000 0.210 84 K C 2.167 178.762 176.600 -0.008 0.000 1.049 84 K CA 3.481 59.762 56.287 -0.009 0.000 0.929 84 K CB -0.431 32.065 32.500 -0.007 0.000 0.714 84 K HN -0.584 7.659 8.250 -0.012 0.000 0.440 85 E N -0.484 119.713 120.200 -0.006 0.000 2.038 85 E HA -0.372 nan 4.350 nan 0.000 0.195 85 E C 2.783 179.378 176.600 -0.009 0.000 1.000 85 E CA 3.261 59.658 56.400 -0.005 0.000 0.803 85 E CB -0.119 29.578 29.700 -0.005 0.000 0.750 85 E HN -0.637 7.720 8.360 -0.004 0.000 0.448 86 L N -1.559 119.657 121.223 -0.013 0.000 2.017 86 L HA -0.424 nan 4.340 nan 0.000 0.208 86 L C 2.272 179.133 176.870 -0.014 0.000 1.073 86 L CA 3.160 57.991 54.840 -0.015 0.000 0.745 86 L CB -0.431 41.616 42.059 -0.020 0.000 0.894 86 L HN -0.260 7.962 8.230 -0.014 0.000 0.432 87 E N -1.136 119.056 120.200 -0.013 0.000 2.110 87 E HA -0.407 nan 4.350 nan 0.000 0.193 87 E C 3.012 179.606 176.600 -0.010 0.000 0.988 87 E CA 3.186 59.578 56.400 -0.013 0.000 0.804 87 E CB -0.457 29.235 29.700 -0.013 0.000 0.745 87 E HN -0.047 8.304 8.360 -0.014 0.000 0.458 88 D N 0.305 120.700 120.400 -0.009 0.000 2.144 88 D HA -0.149 nan 4.640 nan 0.000 0.199 88 D C 1.619 177.915 176.300 -0.006 0.000 0.984 88 D CA 2.534 56.530 54.000 -0.007 0.000 0.834 88 D CB -0.079 40.718 40.800 -0.005 0.000 0.955 88 D HN -0.194 8.169 8.370 -0.009 0.002 0.465 89 R N -1.987 118.509 120.500 -0.007 0.000 2.823 89 R HA 0.110 nan 4.340 nan 0.000 0.250 89 R C 0.379 176.674 176.300 -0.008 0.000 1.332 89 R CA -1.313 54.784 56.100 -0.006 0.000 1.259 89 R CB -1.214 29.082 30.300 -0.006 0.000 1.225 89 R HN -0.562 7.601 8.270 -0.008 0.102 0.545 90 G N -2.407 106.388 108.800 -0.008 0.000 2.189 90 G HA2 -0.476 nan 3.960 nan 0.000 0.267 90 G HA3 -0.476 nan 3.960 nan 0.000 0.267 90 G C -0.252 174.640 174.900 -0.012 0.000 0.975 90 G CA 0.647 45.741 45.100 -0.010 0.000 0.644 90 G HN -0.473 7.700 8.290 -0.008 0.112 0.537 91 I N 2.130 122.692 120.570 -0.014 0.000 2.331 91 I HA 0.234 nan 4.170 nan 0.000 0.292 91 I C -1.784 174.322 176.117 -0.017 0.000 0.998 91 I CA -3.142 58.148 61.300 -0.017 0.000 1.267 91 I CB 1.181 39.169 38.000 -0.019 0.000 1.386 91 I HN -0.439 7.708 8.210 -0.013 0.056 0.476 92 P HA 0.192 nan 4.420 nan 0.000 0.245 92 P C -0.264 177.025 177.300 -0.019 0.000 1.740 92 P CA -0.932 62.158 63.100 -0.017 0.000 1.125 92 P CB -0.855 30.835 31.700 -0.017 0.000 1.747 93 V N 5.336 125.238 119.914 -0.019 0.000 2.358 93 V HA -0.381 nan 4.120 nan 0.000 0.246 93 V C 2.152 178.235 176.094 -0.017 0.000 1.047 93 V CA 3.809 66.097 62.300 -0.020 0.000 1.035 93 V CB -0.467 31.344 31.823 -0.021 0.000 0.658 93 V HN -0.185 8.089 8.190 -0.018 -0.095 0.452 94 R N -1.381 119.109 120.500 -0.017 0.000 2.293 94 R HA -0.269 nan 4.340 nan 0.000 0.219 94 R C 1.199 177.493 176.300 -0.010 0.000 1.091 94 R CA 2.488 58.580 56.100 -0.014 0.000 1.004 94 R CB -0.393 29.898 30.300 -0.016 0.000 0.865 94 R HN -0.378 8.099 8.270 -0.017 -0.217 0.469 95 E N -3.081 117.112 120.200 -0.012 0.000 2.431 95 E HA 0.026 nan 4.350 nan 0.000 0.200 95 E C 0.664 177.258 176.600 -0.012 0.000 0.995 95 E CA 0.630 57.023 56.400 -0.010 0.000 0.915 95 E CB 0.711 30.403 29.700 -0.013 0.000 0.930 95 E HN -0.604 7.702 8.360 -0.015 0.045 0.496 96 R N -2.523 117.968 120.500 -0.015 0.000 2.509 96 R HA 0.295 nan 4.340 nan 0.000 0.300 96 R C -1.466 174.828 176.300 -0.009 0.000 0.985 96 R CA -0.567 55.522 56.100 -0.019 0.000 1.092 96 R CB 1.378 31.660 30.300 -0.031 0.000 1.237 96 R HN -0.486 7.662 8.270 -0.016 0.112 0.546 97 L N -0.295 120.927 121.223 -0.002 0.000 2.341 97 L HA 0.607 nan 4.340 nan 0.000 0.278 97 L C -1.828 175.051 176.870 0.015 0.000 1.005 97 L CA -0.734 54.108 54.840 0.004 0.000 0.818 97 L CB 2.543 44.598 42.059 -0.006 0.000 1.259 97 L HN -0.627 7.600 8.230 -0.004 0.000 0.418 98 L N 6.139 127.380 121.223 0.030 0.000 2.370 98 L HA 0.653 nan 4.340 nan 0.000 0.266 98 L C -1.990 174.901 176.870 0.035 0.000 1.002 98 L CA -1.239 53.624 54.840 0.038 0.000 0.818 98 L CB 3.832 45.928 42.059 0.061 0.000 1.325 98 L HN 1.049 9.299 8.230 0.034 0.000 0.418 99 L N -2.777 118.464 121.223 0.030 0.000 2.350 99 L HA 0.834 nan 4.340 nan 0.000 0.260 99 L C -1.713 175.181 176.870 0.041 0.000 1.015 99 L CA -1.862 52.995 54.840 0.029 0.000 0.821 99 L CB 2.407 44.470 42.059 0.006 0.000 1.370 99 L HN 0.698 8.839 8.230 0.030 0.107 0.416 100 S N -0.958 114.770 115.700 0.047 0.000 2.565 100 S HA 0.106 nan 4.470 nan 0.000 0.276 100 S C 1.351 175.985 174.600 0.056 0.000 1.326 100 S CA -0.710 57.526 58.200 0.060 0.000 1.045 100 S CB 1.277 64.517 63.200 0.067 0.000 0.918 100 S HN -0.303 8.034 8.310 0.045 0.000 0.505 101 E N 7.230 127.480 120.200 0.082 0.000 2.358 101 E HA -0.097 nan 4.350 nan 0.000 0.195 101 E C 1.098 177.747 176.600 0.083 0.000 1.010 101 E CA 2.325 58.782 56.400 0.095 0.000 0.856 101 E CB -0.474 29.337 29.700 0.185 0.000 0.795 101 E HN 0.741 9.157 8.360 0.093 0.000 0.504 102 A N -1.438 121.428 122.820 0.078 0.000 2.238 102 A HA 0.093 nan 4.320 nan 0.000 0.208 102 A C -0.272 177.349 177.584 0.062 0.000 1.177 102 A CA -0.124 51.958 52.037 0.074 0.000 0.804 102 A CB -0.195 18.850 19.000 0.076 0.000 0.823 102 A HN -0.379 7.772 8.150 0.077 0.046 0.482 103 C N 1.655 120.984 119.300 0.047 0.000 2.648 103 C HA 0.017 nan 4.460 nan 0.000 0.415 103 C C -2.013 172.988 174.990 0.017 0.000 1.366 103 C CA -0.976 58.057 59.018 0.026 0.000 1.756 103 C CB -1.495 26.250 27.740 0.008 0.000 2.549 103 C HN -0.669 7.530 8.230 0.046 0.058 0.597 104 P HA 0.287 nan 4.420 nan 0.000 0.275 104 P C -1.704 175.583 177.300 -0.022 0.000 1.228 104 P CA -0.018 63.081 63.100 -0.002 0.000 0.786 104 P CB 0.448 32.112 31.700 -0.060 0.000 0.927 105 L N 1.183 122.430 121.223 0.041 0.000 2.343 105 L HA 0.647 nan 4.340 nan 0.000 0.275 105 L C -0.156 176.748 176.870 0.057 0.000 1.056 105 L CA -0.858 54.007 54.840 0.042 0.000 0.804 105 L CB 1.613 43.738 42.059 0.111 0.000 1.203 105 L HN 0.210 8.498 8.230 0.096 0.000 0.440 106 I N 2.512 123.079 120.570 -0.005 0.000 2.355 106 I HA 0.221 nan 4.170 nan 0.000 0.288 106 I C -1.655 174.429 176.117 -0.055 0.000 0.999 106 I CA -0.601 60.721 61.300 0.037 0.000 1.163 106 I CB 0.391 38.346 38.000 -0.077 0.000 1.316 106 I HN 0.877 8.953 8.210 -0.055 0.102 0.454 107 L N 3.498 124.588 121.223 -0.221 0.000 2.256 107 L HA 0.329 nan 4.340 nan 0.000 0.261 107 L C 0.470 177.122 176.870 -0.364 0.000 1.022 107 L CA -1.912 52.727 54.840 -0.336 0.000 0.828 107 L CB 2.274 44.108 42.059 -0.376 0.000 1.374 107 L HN -0.421 7.701 8.230 -0.179 0.000 0.436 108 D N 0.988 121.288 120.400 -0.167 0.000 2.149 108 D HA -0.420 nan 4.640 nan 0.000 0.194 108 D C 1.891 178.166 176.300 -0.043 0.000 1.001 108 D CA 4.014 57.979 54.000 -0.058 0.000 0.849 108 D CB -0.224 40.590 40.800 0.023 0.000 0.939 108 D HN 0.676 8.990 8.370 -0.094 0.000 0.449 109 Y N -3.431 116.831 120.300 -0.063 0.000 2.193 109 Y HA -0.385 nan 4.550 nan 0.000 0.285 109 Y C 1.904 177.749 175.900 -0.091 0.000 1.166 109 Y CA 2.171 60.224 58.100 -0.079 0.000 1.181 109 Y CB -1.529 36.883 38.460 -0.079 0.000 0.976 109 Y HN 0.026 8.343 8.280 0.063 0.000 0.520 110 H N 0.012 118.883 119.070 -0.331 0.000 2.326 110 H HA -0.330 nan 4.556 nan 0.000 0.301 110 H C 2.572 177.820 175.328 -0.133 0.000 1.081 110 H CA 2.977 58.870 56.048 -0.258 0.000 1.334 110 H CB 0.002 29.563 29.762 -0.335 0.000 1.385 110 H HN -0.523 7.175 8.280 -0.780 0.114 0.504 111 V N -0.570 119.356 119.914 0.020 0.000 2.255 111 V HA -0.517 nan 4.120 nan 0.000 0.247 111 V C 1.699 177.790 176.094 -0.005 0.000 1.051 111 V CA 4.313 66.617 62.300 0.008 0.000 1.018 111 V CB -0.899 30.928 31.823 0.007 0.000 0.641 111 V HN -0.532 7.573 8.190 -0.020 0.073 0.445 112 A N -0.501 122.321 122.820 0.003 0.000 1.859 112 A HA -0.360 nan 4.320 nan 0.000 0.217 112 A C 1.801 179.352 177.584 -0.055 0.000 1.198 112 A CA 3.483 55.515 52.037 -0.008 0.000 0.629 112 A CB -0.819 18.200 19.000 0.032 0.000 0.830 112 A HN 0.317 8.474 8.150 0.012 0.000 0.446 113 L N -3.532 117.668 121.223 -0.039 0.000 2.089 113 L HA -0.392 nan 4.340 nan 0.000 0.213 113 L C 2.401 179.194 176.870 -0.128 0.000 1.079 113 L CA 2.649 57.429 54.840 -0.099 0.000 0.758 113 L CB -1.996 40.058 42.059 -0.008 0.000 0.891 113 L HN -0.176 8.058 8.230 0.007 0.000 0.433 114 D N -0.538 119.823 120.400 -0.065 0.000 2.097 114 D HA -0.240 nan 4.640 nan 0.000 0.197 114 D C 2.753 179.008 176.300 -0.076 0.000 0.984 114 D CA 3.092 57.059 54.000 -0.055 0.000 0.826 114 D CB -0.379 40.403 40.800 -0.030 0.000 0.973 114 D HN -0.358 7.885 8.370 -0.037 0.105 0.460 115 N N -0.091 118.563 118.700 -0.076 0.000 2.084 115 N HA -0.288 nan 4.740 nan 0.000 0.190 115 N C 2.053 177.499 175.510 -0.106 0.000 1.030 115 N CA 2.989 55.996 53.050 -0.072 0.000 0.849 115 N CB -0.216 38.240 38.487 -0.052 0.000 1.012 115 N HN -0.409 7.933 8.380 -0.064 0.000 0.423 116 A N 0.548 123.256 122.820 -0.187 0.000 1.858 116 A HA -0.272 nan 4.320 nan 0.000 0.216 116 A C 2.444 179.844 177.584 -0.307 0.000 1.190 116 A CA 3.233 55.094 52.037 -0.292 0.000 0.617 116 A CB -0.591 18.077 19.000 -0.554 0.000 0.827 116 A HN 0.313 8.351 8.150 -0.186 0.000 0.443 117 R N -2.697 117.583 120.500 -0.366 0.000 2.249 117 R HA -0.324 nan 4.340 nan 0.000 0.230 117 R C 1.869 178.148 176.300 -0.034 0.000 1.121 117 R CA 2.714 58.732 56.100 -0.137 0.000 0.997 117 R CB -0.071 30.192 30.300 -0.061 0.000 0.867 117 R HN 0.177 8.098 8.270 -0.401 0.109 0.465 118 E N -1.430 118.736 120.200 -0.058 0.000 2.067 118 E HA -0.027 nan 4.350 nan 0.000 0.194 118 E C 1.377 177.968 176.600 -0.015 0.000 0.950 118 E CA 1.780 58.165 56.400 -0.025 0.000 0.872 118 E CB 0.582 30.265 29.700 -0.029 0.000 0.877 118 E HN -0.406 7.724 8.360 -0.097 0.172 0.470 119 K N -1.232 119.153 120.400 -0.025 0.000 2.044 119 K HA -0.294 nan 4.320 nan 0.000 0.210 119 K C 2.583 179.183 176.600 -0.001 0.000 1.049 119 K CA 2.701 58.980 56.287 -0.013 0.000 0.927 119 K CB -0.324 32.166 32.500 -0.017 0.000 0.713 119 K HN 0.464 8.573 8.250 -0.041 0.117 0.443 120 A N -0.808 122.013 122.820 0.003 0.000 1.819 120 A HA -0.091 nan 4.320 nan 0.000 0.215 120 A C 2.157 179.766 177.584 0.040 0.000 1.226 120 A CA 2.324 54.378 52.037 0.028 0.000 0.608 120 A CB -0.348 18.694 19.000 0.069 0.000 0.877 120 A HN -0.454 7.687 8.150 -0.016 0.000 0.452 121 R N 0.037 120.582 120.500 0.076 0.000 4.739 121 R HA -0.123 nan 4.340 nan 0.000 0.203 121 R C -0.701 175.629 176.300 0.050 0.000 2.125 121 R CA -0.217 55.932 56.100 0.082 0.000 1.743 121 R CB -1.695 28.698 30.300 0.155 0.000 1.271 121 R HN -0.326 7.998 8.270 0.091 0.000 0.746 122 G N -2.537 106.281 108.800 0.030 0.000 2.947 122 G HA2 0.108 nan 3.960 nan 0.000 0.115 122 G HA3 0.108 nan 3.960 nan 0.000 0.115 122 G C -2.234 172.674 174.900 0.013 0.000 1.214 122 G CA 0.600 45.711 45.100 0.019 0.000 1.324 122 G HN 0.074 8.265 8.290 0.026 0.115 0.645 123 A N -1.592 121.232 122.820 0.008 0.000 2.011 123 A HA 0.018 nan 4.320 nan 0.000 0.183 123 A C -1.164 176.421 177.584 0.002 0.000 2.000 123 A CA 1.184 53.224 52.037 0.005 0.000 1.623 123 A CB 0.590 19.594 19.000 0.006 0.000 1.510 123 A HN 0.218 8.372 8.150 0.006 0.000 0.297 124 K N -1.477 118.925 120.400 0.002 0.000 2.426 124 K HA 0.320 nan 4.320 nan 0.000 0.251 124 K C -1.484 175.114 176.600 -0.002 0.000 0.941 124 K CA -0.466 55.821 56.287 -0.000 0.000 0.808 124 K CB 2.010 34.511 32.500 0.001 0.000 1.265 124 K HN -0.234 8.019 8.250 0.004 0.000 0.432 125 A N 1.751 124.567 122.820 -0.005 0.000 2.569 125 A HA 0.296 nan 4.320 nan 0.000 0.292 125 A C -1.483 176.093 177.584 -0.012 0.000 1.032 125 A CA -0.040 51.992 52.037 -0.009 0.000 0.669 125 A CB 1.375 20.368 19.000 -0.012 0.000 1.290 125 A HN 0.139 8.286 8.150 -0.006 0.000 0.422 126 I N -0.336 120.225 120.570 -0.016 0.000 4.317 126 I HA 0.123 nan 4.170 nan 0.000 0.289 126 I C 0.992 177.091 176.117 -0.031 0.000 1.164 126 I CA 0.046 61.335 61.300 -0.019 0.000 1.312 126 I CB 0.840 38.831 38.000 -0.015 0.000 1.569 126 I HN 0.477 8.677 8.210 -0.016 0.000 0.450 127 G N 1.317 110.096 108.800 -0.035 0.000 2.527 127 G HA2 -0.281 nan 3.960 nan 0.000 0.268 127 G HA3 -0.281 nan 3.960 nan 0.000 0.268 127 G C -0.815 174.047 174.900 -0.063 0.000 1.175 127 G CA 0.774 45.843 45.100 -0.053 0.000 0.962 127 G HN -0.329 7.944 8.290 -0.027 0.000 0.560 128 T N -1.207 113.290 114.554 -0.095 0.000 3.564 128 T HA 0.045 nan 4.350 nan 0.000 0.141 128 T C -1.144 173.457 174.700 -0.165 0.000 0.627 128 T CA 0.321 62.355 62.100 -0.111 0.000 0.808 128 T CB 0.615 69.408 68.868 -0.124 0.000 0.815 128 T HN 0.264 8.438 8.240 -0.110 0.000 0.254 129 T N 0.423 114.816 114.554 -0.268 0.000 3.186 129 T HA 0.344 nan 4.350 nan 0.000 0.292 129 T C 0.573 174.904 174.700 -0.614 0.000 0.915 129 T CA -0.210 61.656 62.100 -0.390 0.000 0.902 129 T CB 0.938 69.494 68.868 -0.520 0.000 1.192 129 T HN -0.249 7.827 8.240 -0.274 0.000 0.563 130 G N 2.389 110.944 108.800 -0.408 0.000 2.806 130 G HA2 -0.210 nan 3.960 nan 0.000 0.214 130 G HA3 -0.210 nan 3.960 nan 0.000 0.214 130 G C -0.810 173.871 174.900 -0.364 0.000 1.331 130 G CA 0.679 45.566 45.100 -0.355 0.000 0.807 130 G HN -0.288 7.827 8.290 -0.291 0.000 0.644 131 R N -1.062 119.339 120.500 -0.164 0.000 2.555 131 R HA -0.440 nan 4.340 nan 0.000 0.307 131 R C 0.078 176.393 176.300 0.025 0.000 1.019 131 R CA 0.200 56.264 56.100 -0.060 0.000 0.859 131 R CB -2.343 27.934 30.300 -0.039 0.000 2.370 131 R HN -0.077 8.113 8.270 -0.133 0.000 0.504 132 G N -1.308 107.494 108.800 0.003 0.000 2.195 132 G HA2 -0.488 nan 3.960 nan 0.000 0.246 132 G HA3 -0.488 nan 3.960 nan 0.000 0.246 132 G C 0.150 175.020 174.900 -0.050 0.000 0.984 132 G CA 0.572 45.668 45.100 -0.006 0.000 0.633 132 G HN 0.993 9.873 8.290 -0.013 -0.598 0.525 133 I N 2.364 122.933 120.570 -0.003 0.000 2.091 133 I HA -0.564 nan 4.170 nan 0.000 0.239 133 I C 1.203 177.343 176.117 0.038 0.000 1.061 133 I CA 3.977 65.267 61.300 -0.016 0.000 1.317 133 I CB -0.376 37.660 38.000 0.059 0.000 1.031 133 I HN 0.004 8.146 8.210 0.017 0.078 0.401 134 G N -1.530 107.336 108.800 0.110 0.000 2.513 134 G HA2 -0.276 nan 3.960 nan 0.000 0.219 134 G HA3 -0.276 nan 3.960 nan 0.000 0.219 134 G C -1.605 173.346 174.900 0.085 0.000 1.160 134 G CA 3.108 48.298 45.100 0.150 0.000 0.767 134 G HN 0.511 8.847 8.290 0.077 0.000 0.571 135 P HA -0.221 nan 4.420 nan 0.000 0.213 135 P C 1.186 178.311 177.300 -0.292 0.000 1.170 135 P CA 2.389 65.434 63.100 -0.092 0.000 0.893 135 P CB -0.348 31.302 31.700 -0.083 0.000 0.784 136 A N -3.154 119.275 122.820 -0.652 0.000 1.997 136 A HA -0.316 nan 4.320 nan 0.000 0.221 136 A C 2.447 179.871 177.584 -0.268 0.000 1.172 136 A CA 2.808 54.406 52.037 -0.733 0.000 0.645 136 A CB -0.644 17.992 19.000 -0.606 0.000 0.813 136 A HN -0.124 7.685 8.150 -0.567 0.000 0.454 137 Y N -2.862 117.362 120.300 -0.127 0.000 2.184 137 Y HA -0.340 nan 4.550 nan 0.000 0.290 137 Y C 1.792 177.688 175.900 -0.007 0.000 1.129 137 Y CA 3.359 61.436 58.100 -0.039 0.000 1.144 137 Y CB -0.368 38.080 38.460 -0.019 0.000 0.995 137 Y HN -0.279 7.930 8.280 -0.080 0.023 0.513 138 E N 0.113 120.416 120.200 0.173 0.000 2.160 138 E HA -0.453 nan 4.350 nan 0.000 0.195 138 E C 2.354 179.038 176.600 0.141 0.000 0.991 138 E CA 3.215 59.700 56.400 0.141 0.000 0.810 138 E CB -0.666 29.119 29.700 0.142 0.000 0.742 138 E HN -0.409 7.975 8.360 0.156 0.070 0.466 139 D N -0.827 119.662 120.400 0.148 0.000 2.178 139 D HA -0.212 nan 4.640 nan 0.000 0.202 139 D C 1.952 178.333 176.300 0.135 0.000 0.974 139 D CA 3.489 57.605 54.000 0.194 0.000 0.841 139 D CB -0.353 40.633 40.800 0.309 0.000 0.953 139 D HN -0.130 8.282 8.370 0.097 0.016 0.478 140 K N -0.451 120.019 120.400 0.116 0.000 2.025 140 K HA -0.194 nan 4.320 nan 0.000 0.207 140 K C 1.902 178.558 176.600 0.093 0.000 1.049 140 K CA 2.908 59.258 56.287 0.106 0.000 0.933 140 K CB -0.026 32.547 32.500 0.122 0.000 0.714 140 K HN -0.775 7.416 8.250 0.110 0.126 0.438 141 V N -1.251 118.722 119.914 0.098 0.000 2.427 141 V HA -0.264 nan 4.120 nan 0.000 0.248 141 V C 1.869 177.992 176.094 0.048 0.000 1.051 141 V CA 3.359 65.701 62.300 0.071 0.000 1.048 141 V CB -0.437 31.426 31.823 0.067 0.000 0.666 141 V HN -0.522 7.740 8.190 0.121 0.000 0.456 142 A N -2.697 120.152 122.820 0.048 0.000 2.119 142 A HA -0.105 nan 4.320 nan 0.000 0.216 142 A C -0.163 177.420 177.584 -0.001 0.000 1.152 142 A CA 1.092 53.137 52.037 0.014 0.000 0.708 142 A CB 0.119 19.119 19.000 0.000 0.000 0.805 142 A HN -0.189 8.002 8.150 0.069 0.000 0.460 143 R N -5.589 114.926 120.500 0.025 0.000 3.407 143 R HA -0.342 nan 4.340 nan 0.000 0.277 143 R C 0.096 176.402 176.300 0.010 0.000 1.119 143 R CA 1.182 57.296 56.100 0.024 0.000 0.750 143 R CB -2.042 28.267 30.300 0.015 0.000 1.258 143 R HN -0.485 7.648 8.270 0.047 0.165 0.432 144 R N -3.876 116.637 120.500 0.022 0.000 2.191 144 R HA 0.173 nan 4.340 nan 0.000 0.196 144 R C 0.763 177.110 176.300 0.078 0.000 0.991 144 R CA 0.674 56.777 56.100 0.005 0.000 1.075 144 R CB 0.825 31.101 30.300 -0.040 0.000 1.040 144 R HN 0.051 8.352 8.270 0.052 0.000 0.526 145 G N -0.462 108.423 108.800 0.142 0.000 2.945 145 G HA2 -0.187 nan 3.960 nan 0.000 0.248 145 G HA3 -0.187 nan 3.960 nan 0.000 0.248 145 G C -0.952 174.043 174.900 0.158 0.000 1.250 145 G CA -0.144 45.075 45.100 0.198 0.000 0.886 145 G HN -0.338 7.927 8.290 0.134 0.105 0.609 146 L N -0.939 120.399 121.223 0.193 0.000 2.386 146 L HA 0.393 nan 4.340 nan 0.000 0.271 146 L C -1.081 175.897 176.870 0.180 0.000 0.993 146 L CA -0.726 54.230 54.840 0.194 0.000 0.819 146 L CB 2.738 44.949 42.059 0.254 0.000 1.294 146 L HN 0.014 8.386 8.230 0.236 0.000 0.414 147 R N 1.456 122.051 120.500 0.158 0.000 2.843 147 R HA 0.673 nan 4.340 nan 0.000 0.232 147 R C 1.806 178.161 176.300 0.092 0.000 1.305 147 R CA -1.697 54.469 56.100 0.110 0.000 1.096 147 R CB 1.153 31.512 30.300 0.099 0.000 1.455 147 R HN 0.936 9.816 8.270 0.173 -0.507 0.520 148 V N -0.060 119.875 119.914 0.036 0.000 2.358 148 V HA -0.203 nan 4.120 nan 0.000 0.246 148 V C 1.879 177.922 176.094 -0.085 0.000 1.047 148 V CA 4.225 66.499 62.300 -0.042 0.000 1.035 148 V CB -0.613 31.179 31.823 -0.053 0.000 0.658 148 V HN 0.208 8.423 8.190 0.041 0.000 0.452 149 G N -2.705 106.117 108.800 0.037 0.000 2.470 149 G HA2 -0.327 nan 3.960 nan 0.000 0.220 149 G HA3 -0.327 nan 3.960 nan 0.000 0.220 149 G C 0.749 175.762 174.900 0.188 0.000 1.121 149 G CA 1.961 47.165 45.100 0.173 0.000 0.766 149 G HN 0.164 8.498 8.290 0.073 0.000 0.553 150 D N 2.270 122.757 120.400 0.144 0.000 2.263 150 D HA -0.171 nan 4.640 nan 0.000 0.208 150 D C 1.740 178.123 176.300 0.138 0.000 0.971 150 D CA 2.735 56.860 54.000 0.209 0.000 0.867 150 D CB -0.163 40.839 40.800 0.337 0.000 0.929 150 D HN -0.647 7.765 8.370 0.128 0.035 0.492 151 L N -1.665 119.509 121.223 -0.081 0.000 2.650 151 L HA -0.193 nan 4.340 nan 0.000 0.235 151 L C 0.573 177.322 176.870 -0.202 0.000 1.149 151 L CA 0.908 55.582 54.840 -0.278 0.000 0.887 151 L CB -0.409 41.382 42.059 -0.446 0.000 1.021 151 L HN -0.427 7.582 8.230 -0.113 0.153 0.441 152 F N -2.022 117.917 119.950 -0.018 0.000 2.387 152 F HA -0.119 nan 4.527 nan 0.000 0.294 152 F C 0.440 176.244 175.800 0.007 0.000 1.093 152 F CA 1.644 59.639 58.000 -0.008 0.000 1.420 152 F CB 0.858 39.862 39.000 0.007 0.000 1.086 152 F HN -0.728 7.591 8.300 0.164 0.080 0.531 153 D N -0.937 119.592 120.400 0.215 0.000 2.493 153 D HA 0.187 nan 4.640 nan 0.000 0.235 153 D C 0.230 176.613 176.300 0.139 0.000 1.117 153 D CA -2.166 51.925 54.000 0.152 0.000 0.930 153 D CB -0.763 40.124 40.800 0.146 0.000 1.010 153 D HN -0.728 7.777 8.370 0.224 0.000 0.514 154 K N 4.165 124.622 120.400 0.096 0.000 2.089 154 K HA -0.465 nan 4.320 nan 0.000 0.210 154 K C 1.592 178.290 176.600 0.162 0.000 1.048 154 K CA 3.564 59.905 56.287 0.089 0.000 0.926 154 K CB -0.320 32.206 32.500 0.042 0.000 0.714 154 K HN -0.003 8.297 8.250 0.083 0.000 0.448 155 E N -0.659 119.617 120.200 0.127 0.000 2.023 155 E HA -0.311 nan 4.350 nan 0.000 0.196 155 E C 2.157 178.842 176.600 0.141 0.000 1.003 155 E CA 3.108 59.581 56.400 0.122 0.000 0.809 155 E CB -0.336 29.416 29.700 0.086 0.000 0.755 155 E HN -0.004 8.472 8.360 0.104 -0.053 0.449 156 T N 2.331 116.965 114.554 0.133 0.000 2.699 156 T HA -0.349 nan 4.350 nan 0.000 0.268 156 T C 1.704 176.496 174.700 0.152 0.000 1.036 156 T CA 4.122 66.294 62.100 0.121 0.000 1.147 156 T CB -0.776 68.158 68.868 0.110 0.000 0.862 156 T HN -0.645 7.939 8.240 0.122 -0.271 0.446 157 F N 2.290 122.274 119.950 0.057 0.000 2.065 157 F HA -0.579 nan 4.527 nan 0.000 0.298 157 F C 0.432 176.274 175.800 0.071 0.000 1.112 157 F CA 3.309 61.343 58.000 0.057 0.000 1.212 157 F CB -0.140 38.884 39.000 0.039 0.000 0.975 157 F HN -0.275 8.221 8.300 0.325 0.000 0.476 158 A N -2.176 120.768 122.820 0.207 0.000 1.884 158 A HA -0.508 nan 4.320 nan 0.000 0.219 158 A C 1.833 179.463 177.584 0.078 0.000 1.197 158 A CA 3.497 55.612 52.037 0.130 0.000 0.637 158 A CB -1.159 17.954 19.000 0.188 0.000 0.827 158 A HN -0.199 8.091 8.150 0.343 0.066 0.450 159 E N -2.375 117.858 120.200 0.055 0.000 2.072 159 E HA -0.371 nan 4.350 nan 0.000 0.191 159 E C 2.366 178.944 176.600 -0.036 0.000 0.985 159 E CA 2.752 59.161 56.400 0.015 0.000 0.801 159 E CB -0.491 29.216 29.700 0.013 0.000 0.750 159 E HN -0.534 7.871 8.360 0.074 0.000 0.452 160 K N 0.061 120.426 120.400 -0.058 0.000 2.044 160 K HA -0.367 nan 4.320 nan 0.000 0.210 160 K C 2.642 179.149 176.600 -0.156 0.000 1.049 160 K CA 3.008 59.239 56.287 -0.093 0.000 0.927 160 K CB -0.142 32.307 32.500 -0.085 0.000 0.713 160 K HN 0.046 8.278 8.250 -0.029 0.000 0.443 161 L N -0.774 120.287 121.223 -0.271 0.000 1.970 161 L HA -0.391 nan 4.340 nan 0.000 0.212 161 L C 0.995 177.822 176.870 -0.073 0.000 1.071 161 L CA 3.356 58.031 54.840 -0.276 0.000 0.751 161 L CB -0.285 41.514 42.059 -0.433 0.000 0.889 161 L HN 0.564 8.470 8.230 -0.346 0.117 0.432 162 K N -1.597 118.847 120.400 0.073 0.000 2.127 162 K HA -0.530 nan 4.320 nan 0.000 0.208 162 K C 2.374 178.878 176.600 -0.159 0.000 1.047 162 K CA 3.531 59.751 56.287 -0.112 0.000 0.927 162 K CB -0.313 32.021 32.500 -0.278 0.000 0.716 162 K HN -0.266 8.065 8.250 0.134 0.000 0.450 163 E N -1.080 119.045 120.200 -0.125 0.000 2.028 163 E HA -0.300 nan 4.350 nan 0.000 0.191 163 E C 2.350 178.867 176.600 -0.138 0.000 0.988 163 E CA 3.222 59.551 56.400 -0.119 0.000 0.799 163 E CB 0.188 29.827 29.700 -0.102 0.000 0.755 163 E HN -0.574 7.711 8.360 -0.105 0.012 0.447 164 V N 0.200 120.015 119.914 -0.165 0.000 2.287 164 V HA -0.444 nan 4.120 nan 0.000 0.248 164 V C 2.176 178.101 176.094 -0.281 0.000 1.053 164 V CA 4.322 66.496 62.300 -0.211 0.000 1.027 164 V CB -0.979 30.760 31.823 -0.141 0.000 0.646 164 V HN -0.547 7.553 8.190 -0.149 0.000 0.447 165 M N -2.109 117.288 119.600 -0.339 0.000 2.202 165 M HA -0.511 nan 4.480 nan 0.000 0.262 165 M C 2.316 178.556 176.300 -0.101 0.000 1.063 165 M CA 4.367 59.482 55.300 -0.309 0.000 1.097 165 M CB -0.618 31.853 32.600 -0.216 0.000 1.382 165 M HN 0.197 8.306 8.290 -0.302 0.000 0.413 166 E N -0.477 119.673 120.200 -0.083 0.000 2.072 166 E HA -0.369 nan 4.350 nan 0.000 0.191 166 E C 2.243 178.876 176.600 0.056 0.000 0.985 166 E CA 2.931 59.321 56.400 -0.016 0.000 0.801 166 E CB -0.192 29.487 29.700 -0.036 0.000 0.750 166 E HN -0.567 7.722 8.360 -0.119 0.000 0.452 167 Y N 1.132 121.348 120.300 -0.140 0.000 2.114 167 Y HA -0.514 nan 4.550 nan 0.000 0.284 167 Y C 2.219 178.088 175.900 -0.051 0.000 1.143 167 Y CA 3.989 61.996 58.100 -0.156 0.000 1.135 167 Y CB 0.055 38.329 38.460 -0.310 0.000 0.980 167 Y HN -0.651 7.645 8.280 0.027 0.000 0.499 168 H N -2.706 116.468 119.070 0.173 0.000 2.387 168 H HA -0.345 nan 4.556 nan 0.000 0.299 168 H C 2.882 178.268 175.328 0.096 0.000 1.090 168 H CA 3.426 59.550 56.048 0.126 0.000 1.332 168 H CB -0.498 29.379 29.762 0.192 0.000 1.386 168 H HN -0.181 8.018 8.280 -0.135 0.000 0.516 169 N N -0.189 118.618 118.700 0.179 0.000 2.188 169 N HA -0.288 nan 4.740 nan 0.000 0.184 169 N C 1.941 177.514 175.510 0.104 0.000 1.018 169 N CA 3.451 56.578 53.050 0.128 0.000 0.858 169 N CB -0.158 38.378 38.487 0.083 0.000 0.989 169 N HN -0.193 8.271 8.380 0.139 0.000 0.426 170 F N 1.234 121.161 119.950 -0.037 0.000 2.171 170 F HA -0.362 nan 4.527 nan 0.000 0.300 170 F C 1.704 177.468 175.800 -0.061 0.000 1.090 170 F CA 3.279 61.240 58.000 -0.065 0.000 1.293 170 F CB 0.251 39.181 39.000 -0.118 0.000 1.013 170 F HN 0.003 8.429 8.300 0.211 0.000 0.486 171 Q N -0.144 119.766 119.800 0.184 0.000 2.016 171 Q HA -0.347 nan 4.340 nan 0.000 0.200 171 Q C 2.399 178.538 176.000 0.231 0.000 0.978 171 Q CA 3.337 59.238 55.803 0.163 0.000 0.833 171 Q CB 0.145 28.978 28.738 0.158 0.000 0.895 171 Q HN -0.518 7.743 8.270 0.136 0.091 0.427 172 L N -0.625 120.768 121.223 0.283 0.000 1.944 172 L HA -0.506 nan 4.340 nan 0.000 0.218 172 L C 2.144 179.116 176.870 0.171 0.000 1.075 172 L CA 3.487 58.515 54.840 0.313 0.000 0.767 172 L CB -0.276 41.901 42.059 0.196 0.000 0.890 172 L HN 0.240 8.618 8.230 0.247 0.000 0.434 173 V N -2.545 117.393 119.914 0.040 0.000 2.233 173 V HA -0.475 nan 4.120 nan 0.000 0.247 173 V C 2.673 178.707 176.094 -0.101 0.000 1.050 173 V CA 4.115 66.394 62.300 -0.035 0.000 1.010 173 V CB -0.816 30.959 31.823 -0.081 0.000 0.637 173 V HN -0.186 8.023 8.190 0.031 0.000 0.444 174 N N -1.387 117.175 118.700 -0.230 0.000 2.216 174 N HA -0.165 nan 4.740 nan 0.000 0.183 174 N C 1.656 177.089 175.510 -0.128 0.000 1.017 174 N CA 2.650 55.535 53.050 -0.275 0.000 0.861 174 N CB 0.028 38.134 38.487 -0.635 0.000 0.986 174 N HN -0.603 7.597 8.380 -0.300 0.000 0.428 175 Y N 1.322 121.469 120.300 -0.255 0.000 2.266 175 Y HA -0.161 nan 4.550 nan 0.000 0.294 175 Y C 1.881 177.581 175.900 -0.333 0.000 1.127 175 Y CA 3.762 61.652 58.100 -0.351 0.000 1.140 175 Y CB 1.055 39.163 38.460 -0.586 0.000 1.071 175 Y HN 0.045 8.313 8.280 -0.020 0.000 0.525 176 Y N -3.952 116.329 120.300 -0.032 0.000 2.490 176 Y HA -0.184 nan 4.550 nan 0.000 0.285 176 Y C -0.281 175.569 175.900 -0.084 0.000 1.117 176 Y CA 1.003 59.046 58.100 -0.096 0.000 1.262 176 Y CB 0.557 39.033 38.460 0.026 0.000 1.043 176 Y HN -0.802 7.476 8.280 -0.003 0.000 0.553 177 K N -4.038 116.400 120.400 0.063 0.000 3.898 177 K HA -0.378 nan 4.320 nan 0.000 0.282 177 K C -1.594 175.036 176.600 0.050 0.000 1.014 177 K CA 0.366 56.664 56.287 0.018 0.000 0.848 177 K CB -2.532 29.955 32.500 -0.020 0.000 1.469 177 K HN -0.278 8.005 8.250 0.055 0.000 0.446 178 A N -0.139 122.722 122.820 0.068 0.000 2.569 178 A HA 0.210 nan 4.320 nan 0.000 0.290 178 A C -2.291 175.321 177.584 0.046 0.000 1.136 178 A CA -0.804 51.266 52.037 0.056 0.000 0.710 178 A CB 1.978 21.018 19.000 0.067 0.000 1.303 178 A HN -0.629 7.565 8.150 0.074 0.000 0.413 179 E N -1.960 118.262 120.200 0.037 0.000 2.480 179 E HA -0.148 nan 4.350 nan 0.000 0.258 179 E C -0.857 175.774 176.600 0.051 0.000 0.984 179 E CA 0.092 56.514 56.400 0.036 0.000 0.930 179 E CB -0.283 29.436 29.700 0.032 0.000 0.936 179 E HN -0.105 8.274 8.360 0.032 0.000 0.466 180 A N 3.277 126.125 122.820 0.047 0.000 2.406 180 A HA 0.062 nan 4.320 nan 0.000 0.243 180 A C -0.777 176.850 177.584 0.072 0.000 1.082 180 A CA -0.143 51.930 52.037 0.060 0.000 0.786 180 A CB 1.116 20.142 19.000 0.044 0.000 1.029 180 A HN 0.074 8.245 8.150 0.034 0.000 0.495 181 V N 0.293 120.263 119.914 0.094 0.000 2.370 181 V HA -0.023 nan 4.120 nan 0.000 0.279 181 V C -0.581 175.579 176.094 0.111 0.000 1.029 181 V CA -0.687 61.677 62.300 0.107 0.000 0.870 181 V CB 0.414 32.327 31.823 0.151 0.000 0.984 181 V HN 0.235 8.869 8.190 0.100 -0.384 0.451 182 D N 6.739 127.198 120.400 0.097 0.000 2.434 182 D HA -0.147 nan 4.640 nan 0.000 0.252 182 D C 0.325 176.712 176.300 0.145 0.000 1.185 182 D CA 0.579 54.646 54.000 0.111 0.000 0.886 182 D CB 1.378 42.226 40.800 0.081 0.000 1.148 182 D HN 0.158 8.576 8.370 0.081 0.000 0.483 183 Y N 8.203 128.517 120.300 0.023 0.000 2.274 183 Y HA -0.461 nan 4.550 nan 0.000 0.290 183 Y C 1.277 177.197 175.900 0.033 0.000 1.145 183 Y CA 3.386 61.494 58.100 0.014 0.000 1.203 183 Y CB 0.213 38.663 38.460 -0.015 0.000 0.984 183 Y HN 0.219 8.663 8.280 0.272 0.000 0.533 184 Q N -0.157 119.659 119.800 0.027 0.000 2.083 184 Q HA -0.279 nan 4.340 nan 0.000 0.198 184 Q C 2.212 178.161 176.000 -0.085 0.000 0.969 184 Q CA 3.077 58.832 55.803 -0.080 0.000 0.838 184 Q CB -0.919 27.855 28.738 0.061 0.000 0.900 184 Q HN 0.126 8.718 8.270 0.193 -0.207 0.436 185 K N 0.001 120.389 120.400 -0.020 0.000 2.103 185 K HA -0.281 nan 4.320 nan 0.000 0.207 185 K C 2.396 178.984 176.600 -0.020 0.000 1.048 185 K CA 2.891 59.173 56.287 -0.007 0.000 0.930 185 K CB -0.544 31.967 32.500 0.019 0.000 0.716 185 K HN 0.221 8.917 8.250 0.017 -0.435 0.444 186 V N -0.480 119.416 119.914 -0.030 0.000 2.323 186 V HA -0.275 nan 4.120 nan 0.000 0.244 186 V C 2.062 178.147 176.094 -0.015 0.000 1.041 186 V CA 4.159 66.459 62.300 0.000 0.000 1.025 186 V CB -0.757 31.100 31.823 0.055 0.000 0.656 186 V HN -0.750 7.408 8.190 -0.034 0.012 0.451 187 L N 0.192 121.323 121.223 -0.153 0.000 1.989 187 L HA -0.448 nan 4.340 nan 0.000 0.211 187 L C 1.269 178.124 176.870 -0.025 0.000 1.071 187 L CA 3.691 58.469 54.840 -0.104 0.000 0.749 187 L CB -0.607 41.244 42.059 -0.347 0.000 0.890 187 L HN -0.247 7.798 8.230 -0.307 0.000 0.431 188 D N -1.245 119.123 120.400 -0.054 0.000 2.117 188 D HA -0.351 nan 4.640 nan 0.000 0.197 188 D C 2.415 178.703 176.300 -0.021 0.000 0.987 188 D CA 4.108 58.091 54.000 -0.028 0.000 0.829 188 D CB -0.740 40.045 40.800 -0.024 0.000 0.961 188 D HN 0.100 8.417 8.370 -0.088 0.000 0.460 189 D N -0.172 120.219 120.400 -0.014 0.000 2.117 189 D HA -0.206 nan 4.640 nan 0.000 0.197 189 D C 2.482 178.769 176.300 -0.023 0.000 0.987 189 D CA 3.054 57.046 54.000 -0.013 0.000 0.829 189 D CB -0.142 40.656 40.800 -0.004 0.000 0.961 189 D HN 0.211 8.456 8.370 -0.015 0.117 0.460 190 T N 1.784 116.334 114.554 -0.006 0.000 2.770 190 T HA -0.156 nan 4.350 nan 0.000 0.263 190 T C 2.393 177.014 174.700 -0.133 0.000 1.039 190 T CA 3.397 65.464 62.100 -0.055 0.000 1.142 190 T CB 0.001 68.877 68.868 0.013 0.000 0.868 190 T HN 0.172 8.320 8.240 0.029 0.109 0.435 191 M N 1.991 121.534 119.600 -0.095 0.000 2.144 191 M HA -0.334 nan 4.480 nan 0.000 0.260 191 M C 2.180 178.427 176.300 -0.088 0.000 1.067 191 M CA 1.957 57.193 55.300 -0.107 0.000 1.095 191 M CB -0.843 31.730 32.600 -0.045 0.000 1.365 191 M HN 0.582 8.742 8.290 -0.031 0.111 0.406 192 A N -1.474 121.308 122.820 -0.064 0.000 1.986 192 A HA -0.185 nan 4.320 nan 0.000 0.220 192 A C 1.111 178.657 177.584 -0.064 0.000 1.171 192 A CA 2.724 54.730 52.037 -0.052 0.000 0.640 192 A CB -0.225 18.752 19.000 -0.038 0.000 0.811 192 A HN 0.005 8.110 8.150 -0.053 0.013 0.451 193 V N -8.083 111.780 119.914 -0.086 0.000 3.477 193 V HA 0.351 nan 4.120 nan 0.000 0.297 193 V C 0.801 176.817 176.094 -0.129 0.000 1.433 193 V CA -0.952 61.292 62.300 -0.093 0.000 1.052 193 V CB -0.348 31.425 31.823 -0.082 0.000 0.895 193 V HN -0.482 7.513 8.190 -0.097 0.137 0.438 194 A N 2.676 125.395 122.820 -0.169 0.000 1.869 194 A HA -0.478 nan 4.320 nan 0.000 0.218 194 A C 1.106 178.574 177.584 -0.192 0.000 1.203 194 A CA 3.955 55.857 52.037 -0.226 0.000 0.638 194 A CB -0.877 17.965 19.000 -0.264 0.000 0.831 194 A HN -0.261 7.791 8.150 -0.164 0.000 0.450 195 D N -2.375 117.943 120.400 -0.136 0.000 2.190 195 D HA -0.366 nan 4.640 nan 0.000 0.200 195 D C 2.328 178.576 176.300 -0.087 0.000 0.992 195 D CA 3.870 57.811 54.000 -0.097 0.000 0.854 195 D CB -0.433 40.332 40.800 -0.058 0.000 0.936 195 D HN 0.260 8.557 8.370 -0.121 0.000 0.462 196 I N -0.689 119.829 120.570 -0.087 0.000 2.162 196 I HA -0.443 nan 4.170 nan 0.000 0.238 196 I C 1.901 177.966 176.117 -0.086 0.000 1.076 196 I CA 3.375 64.633 61.300 -0.070 0.000 1.353 196 I CB 0.019 37.982 38.000 -0.062 0.000 1.063 196 I HN -0.660 7.363 8.210 -0.095 0.130 0.408 197 L N -1.270 119.883 121.223 -0.116 0.000 2.081 197 L HA -0.456 nan 4.340 nan 0.000 0.212 197 L C 2.953 179.722 176.870 -0.169 0.000 1.080 197 L CA 3.302 58.062 54.840 -0.133 0.000 0.754 197 L CB -0.596 41.366 42.059 -0.161 0.000 0.893 197 L HN -0.404 7.753 8.230 -0.122 0.000 0.433 198 T N -4.475 109.937 114.554 -0.238 0.000 2.951 198 T HA -0.139 nan 4.350 nan 0.000 0.268 198 T C 2.254 176.894 174.700 -0.100 0.000 1.073 198 T CA 3.596 65.493 62.100 -0.340 0.000 1.134 198 T CB -0.409 68.095 68.868 -0.605 0.000 0.884 198 T HN 0.639 8.629 8.240 -0.232 0.111 0.479 199 S N 2.929 118.602 115.700 -0.047 0.000 2.607 199 S HA -0.054 nan 4.470 nan 0.000 0.224 199 S C 0.339 174.949 174.600 0.016 0.000 0.969 199 S CA 2.316 60.525 58.200 0.015 0.000 0.927 199 S CB -0.986 62.218 63.200 0.007 0.000 0.772 199 S HN -0.195 7.981 8.310 -0.073 0.089 0.533 200 M N -0.561 119.037 119.600 -0.003 0.000 2.333 200 M HA 0.139 nan 4.480 nan 0.000 0.257 200 M C -1.218 175.098 176.300 0.025 0.000 1.078 200 M CA -0.215 55.090 55.300 0.008 0.000 1.005 200 M CB 1.303 33.897 32.600 -0.010 0.000 1.444 200 M HN -0.741 7.471 8.290 -0.032 0.060 0.496 201 V N 0.880 120.817 119.914 0.039 0.000 2.843 201 V HA 0.252 nan 4.120 nan 0.000 0.305 201 V C -0.940 175.215 176.094 0.103 0.000 1.065 201 V CA 1.820 64.167 62.300 0.079 0.000 1.116 201 V CB 0.627 32.528 31.823 0.131 0.000 0.968 201 V HN -0.777 7.246 8.190 0.032 0.187 0.487 202 V N 5.682 125.653 119.914 0.095 0.000 3.236 202 V HA 0.227 nan 4.120 nan 0.000 0.287 202 V C -2.093 174.043 176.094 0.070 0.000 1.491 202 V CA -0.939 61.408 62.300 0.078 0.000 1.037 202 V CB 4.802 36.661 31.823 0.061 0.000 1.160 202 V HN 0.372 8.615 8.190 0.089 0.000 0.453 203 D N 5.425 125.858 120.400 0.054 0.000 2.435 203 D HA 0.170 nan 4.640 nan 0.000 0.230 203 D C 0.772 177.092 176.300 0.034 0.000 1.215 203 D CA -0.204 53.824 54.000 0.045 0.000 0.947 203 D CB -0.584 40.236 40.800 0.033 0.000 1.048 203 D HN 0.093 8.492 8.370 0.048 0.000 0.512 204 V N 5.332 125.272 119.914 0.043 0.000 2.255 204 V HA -0.421 nan 4.120 nan 0.000 0.247 204 V C 1.480 177.591 176.094 0.029 0.000 1.051 204 V CA 3.650 65.971 62.300 0.035 0.000 1.018 204 V CB -0.410 31.448 31.823 0.058 0.000 0.641 204 V HN -0.321 7.901 8.190 0.054 0.000 0.445 205 S N -1.353 114.375 115.700 0.046 0.000 2.423 205 S HA -0.372 nan 4.470 nan 0.000 0.231 205 S C 1.799 176.417 174.600 0.031 0.000 1.014 205 S CA 3.573 61.803 58.200 0.050 0.000 0.965 205 S CB -0.500 62.735 63.200 0.058 0.000 0.785 205 S HN 0.107 8.448 8.310 0.052 0.000 0.495 206 D N 2.212 122.623 120.400 0.019 0.000 2.149 206 D HA -0.173 nan 4.640 nan 0.000 0.201 206 D C 1.766 178.054 176.300 -0.019 0.000 0.972 206 D CA 3.066 57.070 54.000 0.007 0.000 0.835 206 D CB 0.318 41.124 40.800 0.009 0.000 0.966 206 D HN -0.376 8.297 8.370 0.023 -0.289 0.476 207 L N 0.275 121.476 121.223 -0.037 0.000 2.046 207 L HA -0.312 nan 4.340 nan 0.000 0.208 207 L C 1.565 178.335 176.870 -0.166 0.000 1.077 207 L CA 3.185 57.967 54.840 -0.096 0.000 0.747 207 L CB -0.066 41.925 42.059 -0.113 0.000 0.896 207 L HN -0.507 7.712 8.230 -0.019 0.000 0.432 208 L N -2.768 118.383 121.223 -0.121 0.000 2.131 208 L HA -0.471 nan 4.340 nan 0.000 0.210 208 L C 2.223 179.058 176.870 -0.059 0.000 1.092 208 L CA 3.186 57.967 54.840 -0.098 0.000 0.759 208 L CB -0.671 41.413 42.059 0.042 0.000 0.903 208 L HN -0.128 8.060 8.230 -0.071 0.000 0.435 209 D N -1.080 119.296 120.400 -0.040 0.000 2.162 209 D HA -0.213 nan 4.640 nan 0.000 0.203 209 D C 2.157 178.413 176.300 -0.073 0.000 0.967 209 D CA 3.311 57.277 54.000 -0.057 0.000 0.840 209 D CB 0.329 41.122 40.800 -0.012 0.000 0.972 209 D HN -0.585 7.757 8.370 -0.024 0.013 0.482 210 Q N -0.344 119.420 119.800 -0.060 0.000 2.050 210 Q HA -0.357 nan 4.340 nan 0.000 0.202 210 Q C 2.488 178.460 176.000 -0.047 0.000 0.980 210 Q CA 2.921 58.697 55.803 -0.046 0.000 0.840 210 Q CB 0.097 28.817 28.738 -0.031 0.000 0.898 210 Q HN -0.131 8.038 8.270 -0.056 0.068 0.424 211 A N -0.682 122.093 122.820 -0.075 0.000 1.940 211 A HA -0.315 nan 4.320 nan 0.000 0.219 211 A C 1.609 179.186 177.584 -0.013 0.000 1.176 211 A CA 2.964 54.978 52.037 -0.039 0.000 0.631 211 A CB -0.780 18.124 19.000 -0.159 0.000 0.814 211 A HN 0.611 8.579 8.150 -0.121 0.110 0.446 212 R N -2.272 118.195 120.500 -0.056 0.000 2.120 212 R HA -0.299 nan 4.340 nan 0.000 0.234 212 R C 2.660 178.908 176.300 -0.086 0.000 1.123 212 R CA 2.825 58.874 56.100 -0.084 0.000 0.975 212 R CB -0.154 30.008 30.300 -0.231 0.000 0.866 212 R HN -0.205 7.835 8.270 -0.078 0.183 0.446 213 Q N -2.768 116.983 119.800 -0.082 0.000 2.269 213 Q HA -0.079 nan 4.340 nan 0.000 0.201 213 Q C 1.567 177.547 176.000 -0.032 0.000 0.946 213 Q CA 2.143 57.909 55.803 -0.062 0.000 0.877 213 Q CB 0.395 29.098 28.738 -0.059 0.000 0.963 213 Q HN -0.622 7.494 8.270 -0.084 0.103 0.472 214 R N -1.718 118.769 120.500 -0.021 0.000 2.313 214 R HA 0.000 nan 4.340 nan 0.000 0.199 214 R C 0.771 177.059 176.300 -0.020 0.000 0.958 214 R CA 0.300 56.391 56.100 -0.015 0.000 1.047 214 R CB 0.573 30.872 30.300 -0.001 0.000 0.955 214 R HN -0.240 7.932 8.270 -0.022 0.085 0.481 215 G N -2.026 106.771 108.800 -0.005 0.000 2.199 215 G HA2 -0.468 nan 3.960 nan 0.000 0.254 215 G HA3 -0.468 nan 3.960 nan 0.000 0.254 215 G C -0.141 174.749 174.900 -0.017 0.000 0.982 215 G CA -0.083 45.014 45.100 -0.004 0.000 0.632 215 G HN -0.390 7.844 8.290 0.000 0.056 0.529 216 D N 0.771 121.177 120.400 0.010 0.000 2.474 216 D HA -0.230 nan 4.640 nan 0.000 0.232 216 D C -0.781 175.640 176.300 0.201 0.000 1.177 216 D CA 1.597 55.618 54.000 0.034 0.000 0.876 216 D CB 0.545 41.476 40.800 0.218 0.000 1.208 216 D HN -0.667 7.659 8.370 0.028 0.061 0.464 217 F N -0.615 119.355 119.950 0.034 0.000 2.404 217 F HA 0.239 nan 4.527 nan 0.000 0.345 217 F C -0.387 175.501 175.800 0.147 0.000 1.110 217 F CA -1.793 56.221 58.000 0.024 0.000 1.130 217 F CB 1.110 39.864 39.000 -0.411 0.000 1.129 217 F HN 0.067 8.366 8.300 -0.002 0.000 0.500 218 V N 4.856 125.059 119.914 0.482 0.000 2.709 218 V HA 0.655 nan 4.120 nan 0.000 0.308 218 V C -2.172 174.077 176.094 0.260 0.000 1.062 218 V CA -1.233 61.232 62.300 0.274 0.000 0.901 218 V CB 3.536 35.394 31.823 0.059 0.000 1.003 218 V HN 1.278 9.707 8.190 0.584 0.111 0.425 219 M N 5.057 124.730 119.600 0.121 0.000 2.167 219 M HA 0.710 nan 4.480 nan 0.000 0.333 219 M C -1.949 174.289 176.300 -0.103 0.000 1.030 219 M CA -1.704 53.668 55.300 0.119 0.000 0.963 219 M CB 3.184 35.917 32.600 0.222 0.000 1.589 219 M HN 0.724 9.060 8.290 0.077 0.000 0.431 220 F N 6.339 126.395 119.950 0.176 0.000 2.411 220 F HA 0.407 nan 4.527 nan 0.000 0.355 220 F C -1.707 174.268 175.800 0.291 0.000 1.117 220 F CA -0.504 57.642 58.000 0.244 0.000 1.139 220 F CB 0.503 39.596 39.000 0.155 0.000 1.120 220 F HN 1.395 9.781 8.300 0.361 0.131 0.493 221 E N 5.712 126.126 120.200 0.356 0.000 2.109 221 E HA 0.486 nan 4.350 nan 0.000 0.278 221 E C -0.442 176.199 176.600 0.069 0.000 0.954 221 E CA -1.745 54.779 56.400 0.208 0.000 0.779 221 E CB 2.410 32.171 29.700 0.101 0.000 1.093 221 E HN 0.973 9.404 8.360 0.315 0.118 0.401 222 G N 3.621 112.490 108.800 0.115 0.000 2.370 222 G HA2 0.276 nan 3.960 nan 0.000 0.272 222 G HA3 0.276 nan 3.960 nan 0.000 0.272 222 G C -1.474 173.400 174.900 -0.043 0.000 1.208 222 G CA -0.625 44.449 45.100 -0.043 0.000 0.856 222 G HN 0.775 9.085 8.290 0.205 0.102 0.500 223 A N 3.798 126.556 122.820 -0.103 0.000 2.115 223 A HA 0.100 nan 4.320 nan 0.000 0.211 223 A C -0.189 177.398 177.584 0.006 0.000 1.169 223 A CA 0.779 52.801 52.037 -0.025 0.000 0.787 223 A CB 0.930 19.913 19.000 -0.028 0.000 0.858 223 A HN 0.211 8.525 8.150 -0.207 -0.288 0.474 224 Q N -2.265 117.536 119.800 0.002 0.000 2.633 224 Q HA 0.159 nan 4.340 nan 0.000 0.292 224 Q C -1.167 174.845 176.000 0.020 0.000 1.089 224 Q CA -1.667 54.147 55.803 0.019 0.000 0.811 224 Q CB 3.574 32.326 28.738 0.023 0.000 1.472 224 Q HN -0.712 7.550 8.270 -0.013 0.000 0.464 225 G N -1.491 107.321 108.800 0.019 0.000 2.390 225 G HA2 0.090 nan 3.960 nan 0.000 0.270 225 G HA3 0.090 nan 3.960 nan 0.000 0.270 225 G C 0.623 175.507 174.900 -0.027 0.000 1.211 225 G CA -0.627 44.470 45.100 -0.005 0.000 0.842 225 G HN -0.034 8.273 8.290 0.028 0.000 0.519 226 T N 7.220 121.741 114.554 -0.055 0.000 2.680 226 T HA -0.435 nan 4.350 nan 0.000 0.268 226 T C 2.509 177.155 174.700 -0.091 0.000 1.033 226 T CA 4.740 66.800 62.100 -0.065 0.000 1.152 226 T CB -0.129 68.686 68.868 -0.087 0.000 0.859 226 T HN 0.187 8.396 8.240 -0.052 0.000 0.452 227 L N -1.219 119.884 121.223 -0.200 0.000 2.599 227 L HA -0.071 nan 4.340 nan 0.000 0.230 227 L C 0.683 177.529 176.870 -0.040 0.000 1.141 227 L CA 1.402 56.112 54.840 -0.216 0.000 0.877 227 L CB -0.935 40.753 42.059 -0.619 0.000 1.009 227 L HN -0.092 7.967 8.230 -0.285 0.000 0.447 228 L N -2.588 118.638 121.223 0.006 0.000 2.567 228 L HA -0.029 nan 4.340 nan 0.000 0.225 228 L C -0.285 176.625 176.870 0.067 0.000 1.119 228 L CA -0.344 54.538 54.840 0.070 0.000 0.871 228 L CB 0.098 42.198 42.059 0.068 0.000 1.036 228 L HN 0.010 8.029 8.230 -0.025 0.197 0.459 229 D N 1.361 121.796 120.400 0.058 0.000 2.570 229 D HA -0.222 nan 4.640 nan 0.000 0.243 229 D C 1.115 177.463 176.300 0.080 0.000 1.171 229 D CA 1.484 55.529 54.000 0.075 0.000 0.879 229 D CB 1.073 41.935 40.800 0.104 0.000 1.143 229 D HN -0.664 7.566 8.370 0.036 0.162 0.511 230 I N 6.010 126.610 120.570 0.050 0.000 2.229 230 I HA -0.460 nan 4.170 nan 0.000 0.250 230 I C 0.208 176.321 176.117 -0.007 0.000 1.096 230 I CA 2.501 63.823 61.300 0.037 0.000 1.358 230 I CB 0.348 38.334 38.000 -0.023 0.000 1.047 230 I HN 0.288 8.519 8.210 0.035 0.000 0.422 231 D N -2.436 117.933 120.400 -0.051 0.000 2.290 231 D HA 0.029 nan 4.640 nan 0.000 0.224 231 D C 1.440 177.597 176.300 -0.238 0.000 0.967 231 D CA 2.135 56.003 54.000 -0.221 0.000 0.893 231 D CB 1.301 41.883 40.800 -0.362 0.000 1.037 231 D HN -0.461 8.067 8.370 0.010 -0.152 0.477 232 H N -2.855 116.211 119.070 -0.007 0.000 2.586 232 H HA 0.200 nan 4.556 nan 0.000 0.273 232 H C 0.635 175.988 175.328 0.041 0.000 0.997 232 H CA 0.273 56.329 56.048 0.013 0.000 1.177 232 H CB 1.717 31.480 29.762 0.001 0.000 1.471 232 H HN 0.408 9.370 8.280 0.191 -0.568 0.538 233 G N 0.201 109.095 108.800 0.156 0.000 2.553 233 G HA2 0.153 nan 3.960 nan 0.000 0.278 233 G HA3 0.153 nan 3.960 nan 0.000 0.278 233 G C -0.765 174.224 174.900 0.149 0.000 1.349 233 G CA -0.472 44.698 45.100 0.117 0.000 1.037 233 G HN -0.213 8.070 8.290 0.137 0.088 0.508 234 T N -0.131 114.489 114.554 0.110 0.000 3.455 234 T HA 0.039 nan 4.350 nan 0.000 0.286 234 T C -0.343 174.458 174.700 0.168 0.000 1.157 234 T CA -0.851 61.291 62.100 0.070 0.000 1.090 234 T CB -1.765 67.011 68.868 -0.154 0.000 1.112 234 T HN -0.294 8.000 8.240 0.089 0.000 0.779 235 Y N 7.107 127.449 120.300 0.071 0.000 2.379 235 Y HA 0.003 nan 4.550 nan 0.000 0.337 235 Y C -0.587 175.337 175.900 0.039 0.000 1.238 235 Y CA -1.488 56.633 58.100 0.035 0.000 1.405 235 Y CB 0.397 38.874 38.460 0.029 0.000 1.310 235 Y HN -0.400 8.043 8.280 0.328 0.034 0.569 236 P HA -0.138 nan 4.420 nan 0.000 0.222 236 P C -1.646 175.297 177.300 -0.594 0.000 1.153 236 P CA 1.153 63.605 63.100 -1.080 0.000 0.798 236 P CB 0.481 31.559 31.700 -1.036 0.000 0.796 237 Y N -1.149 119.052 120.300 -0.165 0.000 2.576 237 Y HA -0.083 nan 4.550 nan 0.000 0.348 237 Y C -1.579 174.303 175.900 -0.030 0.000 1.212 237 Y CA 0.592 58.636 58.100 -0.093 0.000 1.683 237 Y CB -2.285 36.119 38.460 -0.094 0.000 1.484 237 Y HN -0.541 7.522 8.280 -0.290 0.043 0.477 238 V N 3.544 123.499 119.914 0.069 0.000 3.216 238 V HA 0.437 nan 4.120 nan 0.000 0.302 238 V C -1.591 174.546 176.094 0.070 0.000 1.286 238 V CA -1.770 60.590 62.300 0.100 0.000 1.048 238 V CB 3.639 35.554 31.823 0.153 0.000 1.081 238 V HN -0.482 7.706 8.190 -0.003 0.000 0.442 239 T N 3.928 118.523 114.554 0.068 0.000 2.754 239 T HA 0.368 nan 4.350 nan 0.000 0.286 239 T C 1.076 175.799 174.700 0.038 0.000 0.997 239 T CA -0.388 61.741 62.100 0.048 0.000 0.982 239 T CB 0.758 69.653 68.868 0.045 0.000 1.027 239 T HN 0.337 8.507 8.240 0.077 0.117 0.529 240 S N 0.756 116.478 115.700 0.037 0.000 2.419 240 S HA -0.167 nan 4.470 nan 0.000 0.235 240 S C -0.845 173.733 174.600 -0.036 0.000 1.019 240 S CA 1.947 60.170 58.200 0.038 0.000 0.982 240 S CB 0.190 63.449 63.200 0.098 0.000 0.789 240 S HN 0.371 8.705 8.310 0.040 0.000 0.490 241 S N -1.594 114.084 115.700 -0.038 0.000 2.588 241 S HA 0.073 nan 4.470 nan 0.000 0.269 241 S C -1.676 172.901 174.600 -0.038 0.000 1.157 241 S CA -1.826 56.297 58.200 -0.129 0.000 0.824 241 S CB 2.628 65.690 63.200 -0.230 0.000 1.126 241 S HN -0.795 7.500 8.310 0.010 0.022 0.464 242 N N 1.687 120.361 118.700 -0.044 0.000 2.217 242 N HA -0.178 nan 4.740 nan 0.000 0.268 242 N C 0.598 176.153 175.510 0.075 0.000 1.290 242 N CA 1.613 54.683 53.050 0.033 0.000 0.831 242 N CB -0.016 38.497 38.487 0.043 0.000 1.057 242 N HN 0.264 8.575 8.380 -0.115 0.000 0.481 243 T N -2.193 112.409 114.554 0.081 0.000 3.010 243 T HA 0.186 nan 4.350 nan 0.000 0.257 243 T C 0.934 175.701 174.700 0.112 0.000 1.020 243 T CA -0.327 61.826 62.100 0.088 0.000 0.938 243 T CB 1.452 70.350 68.868 0.050 0.000 1.049 243 T HN 0.020 8.581 8.240 0.077 -0.275 0.522 244 T N -0.028 114.576 114.554 0.083 0.000 2.698 244 T HA 0.178 nan 4.350 nan 0.000 0.295 244 T C 1.181 175.913 174.700 0.054 0.000 1.007 244 T CA -0.946 61.176 62.100 0.036 0.000 0.980 244 T CB 1.169 70.010 68.868 -0.046 0.000 1.036 244 T HN -0.691 7.819 8.240 0.078 -0.223 0.526 245 A N -0.634 122.166 122.820 -0.034 0.000 2.119 245 A HA 0.016 nan 4.320 nan 0.000 0.217 245 A C 1.915 179.382 177.584 -0.194 0.000 1.153 245 A CA 2.293 54.252 52.037 -0.129 0.000 0.692 245 A CB -0.364 18.548 19.000 -0.147 0.000 0.799 245 A HN 0.994 9.578 8.150 -0.053 -0.466 0.458 246 G N -2.518 106.206 108.800 -0.127 0.000 2.625 246 G HA2 -0.199 nan 3.960 nan 0.000 0.214 246 G HA3 -0.199 nan 3.960 nan 0.000 0.214 246 G C 0.352 175.188 174.900 -0.106 0.000 1.132 246 G CA 0.858 45.885 45.100 -0.122 0.000 0.782 246 G HN -0.517 7.665 8.290 -0.095 0.051 0.538 247 G N -1.106 107.643 108.800 -0.084 0.000 3.284 247 G HA2 0.179 nan 3.960 nan 0.000 0.236 247 G HA3 0.179 nan 3.960 nan 0.000 0.236 247 G C 0.617 175.422 174.900 -0.158 0.000 1.158 247 G CA -0.472 44.621 45.100 -0.012 0.000 0.774 247 G HN -0.713 7.476 8.290 -0.067 0.061 0.545 248 V N 2.711 122.338 119.914 -0.479 0.000 2.323 248 V HA -0.327 nan 4.120 nan 0.000 0.244 248 V C 1.291 177.177 176.094 -0.347 0.000 1.041 248 V CA 3.944 65.798 62.300 -0.743 0.000 1.025 248 V CB -0.700 30.579 31.823 -0.907 0.000 0.656 248 V HN -0.170 7.602 8.190 -0.418 0.167 0.451 249 A N -1.854 120.804 122.820 -0.269 0.000 1.845 249 A HA -0.372 nan 4.320 nan 0.000 0.215 249 A C 1.805 179.354 177.584 -0.058 0.000 1.195 249 A CA 3.844 55.789 52.037 -0.154 0.000 0.616 249 A CB -1.014 17.897 19.000 -0.148 0.000 0.832 249 A HN 0.301 8.273 8.150 -0.297 0.000 0.443 250 T N -0.295 114.235 114.554 -0.040 0.000 2.635 250 T HA -0.298 nan 4.350 nan 0.000 0.267 250 T C 1.939 176.679 174.700 0.066 0.000 1.040 250 T CA 4.537 66.647 62.100 0.016 0.000 1.156 250 T CB -0.270 68.612 68.868 0.022 0.000 0.863 250 T HN 0.222 8.422 8.240 -0.068 0.000 0.430 251 G N -1.732 107.129 108.800 0.102 0.000 2.471 251 G HA2 -0.064 nan 3.960 nan 0.000 0.219 251 G HA3 -0.064 nan 3.960 nan 0.000 0.219 251 G C 0.758 175.774 174.900 0.192 0.000 1.125 251 G CA 1.464 46.677 45.100 0.189 0.000 0.775 251 G HN -0.113 8.102 8.290 0.075 0.120 0.548 252 S N 0.044 115.837 115.700 0.155 0.000 2.539 252 S HA 0.182 nan 4.470 nan 0.000 0.226 252 S C 1.274 175.950 174.600 0.126 0.000 1.054 252 S CA 0.418 58.728 58.200 0.184 0.000 0.910 252 S CB 2.620 66.004 63.200 0.307 0.000 0.818 252 S HN -0.222 8.024 8.310 0.088 0.117 0.490 253 G N 2.515 111.364 108.800 0.080 0.000 2.159 253 G HA2 -0.289 nan 3.960 nan 0.000 0.227 253 G HA3 -0.289 nan 3.960 nan 0.000 0.227 253 G C -1.298 173.641 174.900 0.065 0.000 0.986 253 G CA 0.101 45.240 45.100 0.064 0.000 0.651 253 G HN 0.355 8.564 8.290 0.056 0.114 0.523 254 L N 1.026 122.286 121.223 0.061 0.000 2.292 254 L HA 0.196 nan 4.340 nan 0.000 0.284 254 L C -0.351 176.529 176.870 0.017 0.000 1.065 254 L CA -0.407 54.490 54.840 0.094 0.000 0.806 254 L CB 1.435 43.559 42.059 0.109 0.000 1.175 254 L HN -1.003 7.211 8.230 0.043 0.041 0.431 255 G N 4.187 113.011 108.800 0.040 0.000 2.380 255 G HA2 0.094 nan 3.960 nan 0.000 0.242 255 G HA3 0.094 nan 3.960 nan 0.000 0.242 255 G C -0.443 174.266 174.900 -0.318 0.000 1.298 255 G CA -1.545 43.439 45.100 -0.194 0.000 0.878 255 G HN 0.144 8.564 8.290 0.216 0.000 0.542 256 P HA -0.322 nan 4.420 nan 0.000 0.218 256 P C 1.665 178.800 177.300 -0.276 0.000 1.154 256 P CA 2.411 65.363 63.100 -0.246 0.000 0.872 256 P CB 0.137 31.724 31.700 -0.189 0.000 0.790 257 R N -3.207 117.065 120.500 -0.379 0.000 2.357 257 R HA -0.126 nan 4.340 nan 0.000 0.202 257 R C 1.423 177.604 176.300 -0.199 0.000 1.047 257 R CA 1.775 57.691 56.100 -0.307 0.000 1.034 257 R CB -0.623 29.497 30.300 -0.300 0.000 0.875 257 R HN 0.353 8.348 8.270 -0.458 0.000 0.473 258 Y N -3.364 116.901 120.300 -0.058 0.000 2.457 258 Y HA 0.009 nan 4.550 nan 0.000 0.263 258 Y C -0.373 175.496 175.900 -0.051 0.000 1.164 258 Y CA -1.211 56.870 58.100 -0.032 0.000 1.274 258 Y CB -0.559 37.895 38.460 -0.009 0.000 1.097 258 Y HN -0.321 7.662 8.280 -0.395 0.060 0.523 259 V N 0.927 120.831 119.914 -0.017 0.000 2.421 259 V HA -0.225 nan 4.120 nan 0.000 0.271 259 V C 0.112 176.197 176.094 -0.016 0.000 1.031 259 V CA 1.110 63.361 62.300 -0.081 0.000 1.032 259 V CB -1.526 30.181 31.823 -0.193 0.000 1.009 259 V HN -0.682 7.406 8.190 -0.086 0.050 0.477 260 D N 7.377 127.805 120.400 0.046 0.000 2.216 260 D HA 0.022 nan 4.640 nan 0.000 0.208 260 D C -0.743 175.596 176.300 0.065 0.000 0.960 260 D CA 2.423 56.463 54.000 0.067 0.000 0.861 260 D CB 1.220 42.089 40.800 0.116 0.000 0.985 260 D HN 0.169 8.587 8.370 0.080 0.000 0.493 261 Y N -1.145 119.104 120.300 -0.085 0.000 2.358 261 Y HA 0.045 nan 4.550 nan 0.000 0.324 261 Y C -3.010 172.815 175.900 -0.125 0.000 1.123 261 Y CA -0.278 57.750 58.100 -0.120 0.000 1.067 261 Y CB 2.898 41.261 38.460 -0.162 0.000 1.230 261 Y HN -0.532 7.805 8.280 0.095 0.000 0.429 262 V N 8.521 128.221 119.914 -0.356 0.000 2.311 262 V HA 0.410 nan 4.120 nan 0.000 0.275 262 V C -1.859 174.111 176.094 -0.207 0.000 1.022 262 V CA -1.190 60.993 62.300 -0.194 0.000 0.830 262 V CB 0.394 32.085 31.823 -0.219 0.000 1.012 262 V HN 0.170 7.969 8.190 -0.651 0.000 0.452 263 L N 9.485 130.738 121.223 0.050 0.000 2.278 263 L HA 0.530 nan 4.340 nan 0.000 0.287 263 L C -1.334 175.571 176.870 0.059 0.000 1.072 263 L CA -1.060 53.854 54.840 0.123 0.000 0.819 263 L CB 2.236 44.405 42.059 0.183 0.000 1.176 263 L HN 0.962 9.247 8.230 0.093 0.000 0.435 264 G N 7.431 116.255 108.800 0.041 0.000 2.404 264 G HA2 0.405 nan 3.960 nan 0.000 0.316 264 G HA3 0.405 nan 3.960 nan 0.000 0.316 264 G C -0.665 174.366 174.900 0.219 0.000 1.074 264 G CA -1.463 43.708 45.100 0.118 0.000 0.989 264 G HN 0.574 8.854 8.290 -0.017 0.000 0.430 265 I N 7.835 128.481 120.570 0.128 0.000 2.664 265 I HA -0.226 nan 4.170 nan 0.000 0.284 265 I C -1.468 174.681 176.117 0.053 0.000 1.154 265 I CA 0.322 61.677 61.300 0.090 0.000 1.402 265 I CB -1.393 36.638 38.000 0.052 0.000 1.395 265 I HN 1.103 9.250 8.210 0.098 0.121 0.545 266 L N 9.370 130.603 121.223 0.016 0.000 2.325 266 L HA 0.493 nan 4.340 nan 0.000 0.281 266 L C -2.444 174.364 176.870 -0.102 0.000 1.004 266 L CA -1.494 53.280 54.840 -0.111 0.000 0.823 266 L CB 3.516 45.360 42.059 -0.358 0.000 1.236 266 L HN -0.009 8.247 8.230 0.044 0.000 0.415 267 K N 7.071 127.405 120.400 -0.109 0.000 2.227 267 K HA 0.172 nan 4.320 nan 0.000 0.280 267 K C -0.210 176.338 176.600 -0.087 0.000 1.041 267 K CA -1.293 54.914 56.287 -0.133 0.000 0.905 267 K CB 1.279 33.629 32.500 -0.250 0.000 1.068 267 K HN 0.359 8.911 8.250 -0.108 -0.366 0.470 268 A N 4.434 127.276 122.820 0.037 0.000 2.204 268 A HA -0.248 nan 4.320 nan 0.000 0.220 268 A C -1.205 176.649 177.584 0.451 0.000 1.165 268 A CA 2.294 54.489 52.037 0.263 0.000 0.671 268 A CB 0.557 19.817 19.000 0.434 0.000 0.792 268 A HN 1.040 9.101 8.150 0.047 0.118 0.473 269 Y N -9.057 111.400 120.300 0.261 0.000 2.552 269 Y HA 0.485 nan 4.550 nan 0.000 0.337 269 Y C -2.468 173.582 175.900 0.251 0.000 1.094 269 Y CA -3.734 54.540 58.100 0.290 0.000 1.028 269 Y CB 2.713 41.318 38.460 0.242 0.000 1.321 269 Y HN -0.825 7.265 8.280 -0.170 0.088 0.456 270 S N 1.788 117.723 115.700 0.392 0.000 2.601 270 S HA 0.228 nan 4.470 nan 0.000 0.271 270 S C -1.264 173.608 174.600 0.454 0.000 1.305 270 S CA 0.153 58.600 58.200 0.413 0.000 1.022 270 S CB 1.501 65.142 63.200 0.735 0.000 0.940 270 S HN 0.172 8.785 8.310 0.504 0.000 0.525 271 T N -2.745 111.943 114.554 0.223 0.000 2.853 271 T HA 0.299 nan 4.350 nan 0.000 0.311 271 T C -2.600 171.864 174.700 -0.394 0.000 1.307 271 T CA -1.735 60.416 62.100 0.085 0.000 1.019 271 T CB 3.068 71.998 68.868 0.102 0.000 1.264 271 T HN 0.032 8.376 8.240 0.173 0.000 0.497 272 R N 1.329 121.513 120.500 -0.527 0.000 2.535 272 R HA 0.421 nan 4.340 nan 0.000 0.274 272 R C -2.394 173.701 176.300 -0.341 0.000 1.090 272 R CA -0.035 55.637 56.100 -0.713 0.000 0.930 272 R CB 3.651 33.044 30.300 -1.511 0.000 1.223 272 R HN -0.185 7.955 8.270 -0.217 0.000 0.441 273 V N 3.387 123.163 119.914 -0.230 0.000 2.716 273 V HA 0.662 nan 4.120 nan 0.000 0.304 273 V C 0.398 176.409 176.094 -0.139 0.000 1.053 273 V CA -1.089 61.135 62.300 -0.126 0.000 0.984 273 V CB 0.932 32.714 31.823 -0.068 0.000 1.021 273 V HN 0.615 8.673 8.190 -0.221 0.000 0.467 274 G N 3.267 112.014 108.800 -0.089 0.000 2.749 274 G HA2 -0.324 nan 3.960 nan 0.000 0.242 274 G HA3 -0.324 nan 3.960 nan 0.000 0.242 274 G C -1.254 173.566 174.900 -0.134 0.000 1.364 274 G CA -0.443 44.609 45.100 -0.080 0.000 0.888 274 G HN -0.161 8.091 8.290 -0.064 0.000 0.566 275 A N -0.653 122.084 122.820 -0.137 0.000 2.336 275 A HA 0.511 nan 4.320 nan 0.000 0.278 275 A C -0.396 176.909 177.584 -0.465 0.000 1.371 275 A CA 0.108 51.991 52.037 -0.257 0.000 0.842 275 A CB 0.844 19.708 19.000 -0.228 0.000 1.363 275 A HN 0.405 8.508 8.150 -0.078 0.000 0.517 276 G N -4.884 103.411 108.800 -0.841 0.000 2.539 276 G HA2 -0.149 nan 3.960 nan 0.000 0.686 276 G HA3 -0.149 nan 3.960 nan 0.000 0.686 276 G C -3.207 171.355 174.900 -0.563 0.000 1.258 276 G CA -0.665 43.819 45.100 -1.028 0.000 0.846 276 G HN -0.295 7.523 8.290 -0.787 0.000 0.647 277 P HA 0.092 nan 4.420 nan 0.000 0.268 277 P C -1.731 175.467 177.300 -0.171 0.000 1.208 277 P CA 0.196 63.162 63.100 -0.222 0.000 0.777 277 P CB 0.344 31.783 31.700 -0.435 0.000 0.875 278 F N -0.141 119.703 119.950 -0.177 0.000 3.181 278 F HA 0.166 nan 4.527 nan 0.000 0.418 278 F C -2.199 173.606 175.800 0.008 0.000 1.117 278 F CA -3.544 54.330 58.000 -0.209 0.000 1.255 278 F CB -0.314 38.439 39.000 -0.412 0.000 2.615 278 F HN 0.049 8.452 8.300 0.172 0.000 0.640 279 P HA -0.186 nan 4.420 nan 0.000 0.218 279 P C 0.028 177.399 177.300 0.119 0.000 1.146 279 P CA 2.041 65.235 63.100 0.158 0.000 0.820 279 P CB -0.070 31.634 31.700 0.007 0.000 0.778 280 T N -1.440 113.191 114.554 0.129 0.000 3.122 280 T HA 0.116 nan 4.350 nan 0.000 0.250 280 T C -0.424 174.113 174.700 -0.270 0.000 1.067 280 T CA -0.520 61.677 62.100 0.162 0.000 0.966 280 T CB -0.294 68.816 68.868 0.403 0.000 1.002 280 T HN -0.009 8.321 8.240 0.230 0.049 0.542 281 E N 1.323 121.109 120.200 -0.689 0.000 2.467 281 E HA -0.128 nan 4.350 nan 0.000 0.264 281 E C -0.453 175.667 176.600 -0.800 0.000 1.020 281 E CA 0.918 56.704 56.400 -1.024 0.000 0.945 281 E CB 0.783 29.835 29.700 -1.081 0.000 0.942 281 E HN -0.464 7.481 8.360 -0.586 0.063 0.449 282 L N 3.781 124.482 121.223 -0.870 0.000 2.307 282 L HA 0.192 nan 4.340 nan 0.000 0.284 282 L C -0.694 175.736 176.870 -0.734 0.000 1.023 282 L CA -0.729 53.721 54.840 -0.650 0.000 0.810 282 L CB 1.211 42.938 42.059 -0.553 0.000 1.231 282 L HN -0.163 7.544 8.230 -0.872 0.000 0.423 283 F N 0.620 120.488 119.950 -0.137 0.000 2.764 283 F HA 0.115 nan 4.527 nan 0.000 0.310 283 F C -0.459 175.294 175.800 -0.079 0.000 1.124 283 F CA -0.133 57.809 58.000 -0.097 0.000 1.252 283 F CB 0.845 39.801 39.000 -0.074 0.000 1.010 283 F HN 0.187 8.430 8.300 -0.094 0.000 0.518 284 D N 1.132 121.542 120.400 0.017 0.000 2.720 284 D HA 0.097 nan 4.640 nan 0.000 0.232 284 D C 0.677 176.953 176.300 -0.040 0.000 1.173 284 D CA -1.163 52.836 54.000 -0.002 0.000 1.082 284 D CB 1.535 42.327 40.800 -0.015 0.000 1.235 284 D HN -0.815 7.447 8.370 -0.075 0.064 0.636 285 E N -1.026 119.146 120.200 -0.047 0.000 2.204 285 E HA -0.121 nan 4.350 nan 0.000 0.194 285 E C 1.997 178.560 176.600 -0.063 0.000 0.989 285 E CA 2.189 58.560 56.400 -0.048 0.000 0.824 285 E CB 0.060 29.725 29.700 -0.057 0.000 0.756 285 E HN 0.441 8.776 8.360 -0.043 0.000 0.477 286 T N 2.309 116.790 114.554 -0.122 0.000 2.821 286 T HA -0.170 nan 4.350 nan 0.000 0.267 286 T C 1.579 176.185 174.700 -0.157 0.000 1.046 286 T CA 4.170 66.170 62.100 -0.166 0.000 1.139 286 T CB -0.378 68.341 68.868 -0.248 0.000 0.871 286 T HN -0.066 8.314 8.240 -0.124 -0.214 0.454 287 G N 1.294 109.971 108.800 -0.206 0.000 2.453 287 G HA2 -0.368 nan 3.960 nan 0.000 0.215 287 G HA3 -0.368 nan 3.960 nan 0.000 0.215 287 G C 0.698 175.533 174.900 -0.108 0.000 1.201 287 G CA 2.137 47.107 45.100 -0.216 0.000 0.784 287 G HN -0.483 7.836 8.290 -0.199 -0.149 0.545 288 E N 1.971 122.141 120.200 -0.050 0.000 2.110 288 E HA -0.320 nan 4.350 nan 0.000 0.193 288 E C 2.129 178.737 176.600 0.013 0.000 0.988 288 E CA 2.065 58.457 56.400 -0.013 0.000 0.804 288 E CB -0.654 29.047 29.700 0.003 0.000 0.745 288 E HN -0.554 7.773 8.360 -0.055 0.000 0.458 289 F N 1.918 121.795 119.950 -0.122 0.000 2.043 289 F HA -0.420 nan 4.527 nan 0.000 0.297 289 F C 1.465 177.172 175.800 -0.154 0.000 1.121 289 F CA 3.663 61.590 58.000 -0.122 0.000 1.199 289 F CB 0.028 38.947 39.000 -0.136 0.000 0.968 289 F HN -0.371 8.019 8.300 0.150 0.000 0.478 290 L N -1.688 119.476 121.223 -0.100 0.000 1.990 290 L HA -0.632 nan 4.340 nan 0.000 0.213 290 L C 2.193 178.888 176.870 -0.291 0.000 1.072 290 L CA 3.464 58.105 54.840 -0.332 0.000 0.755 290 L CB -0.496 41.343 42.059 -0.366 0.000 0.889 290 L HN 0.289 8.444 8.230 0.059 0.110 0.432 291 C N -1.703 117.513 119.300 -0.140 0.000 2.413 291 C HA -0.490 nan 4.460 nan 0.000 0.276 291 C C 2.084 177.067 174.990 -0.012 0.000 1.248 291 C CA 4.011 63.006 59.018 -0.038 0.000 1.742 291 C CB -1.988 25.760 27.740 0.014 0.000 2.017 291 C HN 0.637 8.681 8.230 -0.121 0.114 0.481 292 K N -0.349 120.014 120.400 -0.061 0.000 1.965 292 K HA -0.364 nan 4.320 nan 0.000 0.214 292 K C 2.613 179.159 176.600 -0.090 0.000 1.046 292 K CA 2.928 59.193 56.287 -0.037 0.000 0.944 292 K CB -0.395 32.045 32.500 -0.100 0.000 0.726 292 K HN 0.389 8.465 8.250 -0.093 0.118 0.441 293 Q N -1.882 117.733 119.800 -0.309 0.000 2.096 293 Q HA -0.274 nan 4.340 nan 0.000 0.204 293 Q C 1.841 177.727 176.000 -0.192 0.000 0.982 293 Q CA 2.489 58.091 55.803 -0.334 0.000 0.850 293 Q CB 0.066 28.410 28.738 -0.657 0.000 0.901 293 Q HN 0.049 8.043 8.270 -0.460 0.000 0.422 294 G N -4.617 104.071 108.800 -0.186 0.000 2.484 294 G HA2 -0.102 nan 3.960 nan 0.000 0.218 294 G HA3 -0.102 nan 3.960 nan 0.000 0.218 294 G C -0.702 174.155 174.900 -0.071 0.000 1.130 294 G CA -0.079 44.989 45.100 -0.053 0.000 0.784 294 G HN 0.107 8.235 8.290 -0.260 0.006 0.543 295 N N -2.845 115.786 118.700 -0.115 0.000 2.746 295 N HA -0.427 nan 4.740 nan 0.000 0.250 295 N C -0.713 174.376 175.510 -0.702 0.000 1.055 295 N CA 1.063 53.861 53.050 -0.420 0.000 0.699 295 N CB -1.896 36.373 38.487 -0.363 0.000 0.919 295 N HN -0.159 8.026 8.380 -0.045 0.168 0.548 296 E N -1.997 118.006 120.200 -0.329 0.000 2.320 296 E HA 0.089 nan 4.350 nan 0.000 0.234 296 E C -0.970 175.563 176.600 -0.111 0.000 1.290 296 E CA -0.887 55.400 56.400 -0.188 0.000 1.545 296 E CB -1.389 28.316 29.700 0.008 0.000 1.379 296 E HN -0.347 7.946 8.360 -0.112 0.000 0.437 297 F N -6.300 113.653 119.950 0.007 0.000 2.698 297 F HA 0.344 nan 4.527 nan 0.000 0.304 297 F C -0.394 175.408 175.800 0.003 0.000 1.108 297 F CA -1.309 56.691 58.000 0.000 0.000 1.263 297 F CB 0.328 39.323 39.000 -0.008 0.000 1.013 297 F HN -0.908 6.503 8.300 -1.330 0.091 0.532 298 G N -0.136 108.587 108.800 -0.128 0.000 2.604 298 G HA2 -0.091 nan 3.960 nan 0.000 0.242 298 G HA3 -0.091 nan 3.960 nan 0.000 0.242 298 G C -1.994 172.855 174.900 -0.084 0.000 1.208 298 G CA 0.051 45.120 45.100 -0.052 0.000 0.912 298 G HN -0.744 7.312 8.290 -0.271 0.072 0.502 299 A N -1.569 121.214 122.820 -0.062 0.000 2.060 299 A HA -0.242 nan 4.320 nan 0.000 0.267 299 A C -0.213 177.354 177.584 -0.027 0.000 1.378 299 A CA 0.648 52.655 52.037 -0.050 0.000 0.733 299 A CB -1.160 17.793 19.000 -0.080 0.000 1.188 299 A HN 0.197 8.324 8.150 -0.038 0.000 0.311 300 T N -1.326 113.229 114.554 0.002 0.000 3.967 300 T HA -0.192 nan 4.350 nan 0.000 0.366 300 T C 0.060 174.765 174.700 0.008 0.000 0.759 300 T CA 0.098 62.210 62.100 0.021 0.000 1.971 300 T CB -0.980 67.903 68.868 0.025 0.000 1.806 300 T HN 0.221 8.467 8.240 0.009 0.000 0.825 301 T N -0.365 114.195 114.554 0.010 0.000 2.625 301 T HA -0.009 nan 4.350 nan 0.000 0.357 301 T C 0.251 174.955 174.700 0.007 0.000 1.053 301 T CA 0.215 62.321 62.100 0.010 0.000 1.037 301 T CB 0.798 69.683 68.868 0.030 0.000 1.123 301 T HN -0.212 8.038 8.240 0.017 0.000 0.520 302 G N -1.851 106.955 108.800 0.011 0.000 2.428 302 G HA2 0.241 nan 3.960 nan 0.000 0.305 302 G HA3 0.241 nan 3.960 nan 0.000 0.305 302 G C -2.605 172.300 174.900 0.009 0.000 1.260 302 G CA -0.394 44.708 45.100 0.003 0.000 0.853 302 G HN -0.232 8.071 8.290 0.022 0.000 0.480 303 R N -1.100 119.400 120.500 0.001 0.000 2.312 303 R HA 0.261 nan 4.340 nan 0.000 0.311 303 R C -0.819 175.480 176.300 -0.002 0.000 1.004 303 R CA -1.110 54.992 56.100 0.003 0.000 0.902 303 R CB 0.906 31.206 30.300 -0.000 0.000 1.073 303 R HN 0.283 8.549 8.270 -0.007 0.000 0.457 304 R N 3.255 123.760 120.500 0.008 0.000 2.190 304 R HA -0.458 nan 4.340 nan 0.000 0.331 304 R C -1.811 174.487 176.300 -0.003 0.000 1.136 304 R CA 0.318 56.422 56.100 0.007 0.000 1.036 304 R CB 0.219 30.520 30.300 0.002 0.000 2.930 304 R HN 0.618 8.897 8.270 0.016 0.000 0.501 305 R N 5.038 125.546 120.500 0.013 0.000 2.272 305 R HA 0.389 nan 4.340 nan 0.000 0.323 305 R C -0.493 175.830 176.300 0.038 0.000 1.002 305 R CA -1.351 54.755 56.100 0.009 0.000 0.900 305 R CB 0.830 31.142 30.300 0.020 0.000 1.151 305 R HN 0.219 8.506 8.270 0.028 0.000 0.507 306 R N 6.150 126.688 120.500 0.064 0.000 2.668 306 R HA 0.318 nan 4.340 nan 0.000 0.268 306 R C -1.392 175.022 176.300 0.189 0.000 1.232 306 R CA -1.757 54.402 56.100 0.098 0.000 1.166 306 R CB 0.701 31.066 30.300 0.109 0.000 1.179 306 R HN 0.011 8.302 8.270 0.035 0.000 0.606 307 T N -6.797 107.787 114.554 0.050 0.000 2.843 307 T HA 0.649 nan 4.350 nan 0.000 0.302 307 T C -1.742 172.813 174.700 -0.241 0.000 1.232 307 T CA -1.293 60.850 62.100 0.071 0.000 1.009 307 T CB 3.914 72.763 68.868 -0.032 0.000 1.254 307 T HN 0.190 8.335 8.240 -0.158 0.000 0.504 308 G N -0.929 107.816 108.800 -0.091 0.000 2.523 308 G HA2 0.498 nan 3.960 nan 0.000 0.291 308 G HA3 0.498 nan 3.960 nan 0.000 0.291 308 G C -2.504 172.391 174.900 -0.007 0.000 1.450 308 G CA 0.473 45.400 45.100 -0.289 0.000 0.790 308 G HN -0.144 8.266 8.290 0.200 0.000 0.496 309 W N -1.592 119.816 121.300 0.179 0.000 2.150 309 W HA 0.080 nan 4.660 nan 0.000 0.341 309 W C 0.514 177.252 176.519 0.365 0.000 1.276 309 W CA -0.573 56.934 57.345 0.270 0.000 1.238 309 W CB 0.843 30.456 29.460 0.254 0.000 1.128 309 W HN -0.248 7.878 8.180 -0.090 0.000 0.581 310 L N 1.636 123.246 121.223 0.644 0.000 2.559 310 L HA -0.216 nan 4.340 nan 0.000 0.282 310 L C -1.197 175.920 176.870 0.412 0.000 1.232 310 L CA 1.195 56.305 54.840 0.450 0.000 0.885 310 L CB 0.618 42.880 42.059 0.340 0.000 1.131 310 L HN 0.562 9.231 8.230 0.733 0.000 0.498 311 D N 6.023 126.636 120.400 0.355 0.000 2.485 311 D HA 0.214 nan 4.640 nan 0.000 0.221 311 D C -0.068 176.327 176.300 0.159 0.000 1.112 311 D CA -0.870 53.322 54.000 0.320 0.000 0.911 311 D CB 1.065 42.138 40.800 0.455 0.000 1.019 311 D HN 0.169 8.743 8.370 0.341 0.000 0.516 312 T N 0.113 114.724 114.554 0.095 0.000 3.308 312 T HA 0.002 nan 4.350 nan 0.000 0.255 312 T C 0.271 174.960 174.700 -0.019 0.000 1.162 312 T CA 1.457 63.574 62.100 0.027 0.000 1.031 312 T CB -0.441 68.436 68.868 0.017 0.000 0.973 312 T HN -0.008 8.303 8.240 0.118 0.000 0.544 313 V N 0.171 120.052 119.914 -0.054 0.000 2.492 313 V HA 0.015 nan 4.120 nan 0.000 0.241 313 V C 0.825 176.917 176.094 -0.003 0.000 1.041 313 V CA 2.902 65.117 62.300 -0.142 0.000 1.057 313 V CB 0.045 31.551 31.823 -0.529 0.000 0.711 313 V HN -0.431 7.847 8.190 -0.010 -0.094 0.468 314 A N -0.447 122.426 122.820 0.088 0.000 1.929 314 A HA -0.195 nan 4.320 nan 0.000 0.216 314 A C 1.893 179.466 177.584 -0.018 0.000 1.176 314 A CA 3.247 55.330 52.037 0.078 0.000 0.628 314 A CB -0.427 18.618 19.000 0.074 0.000 0.816 314 A HN -0.600 7.810 8.150 0.137 -0.178 0.444 315 V N -0.850 119.057 119.914 -0.011 0.000 2.626 315 V HA -0.402 nan 4.120 nan 0.000 0.252 315 V C 1.921 178.047 176.094 0.052 0.000 1.067 315 V CA 4.102 66.400 62.300 -0.004 0.000 1.081 315 V CB -1.175 30.633 31.823 -0.025 0.000 0.686 315 V HN 0.066 8.266 8.190 0.016 0.000 0.468 316 R N -0.805 119.714 120.500 0.032 0.000 2.193 316 R HA -0.278 nan 4.340 nan 0.000 0.213 316 R C 1.590 177.894 176.300 0.007 0.000 1.055 316 R CA 2.894 59.010 56.100 0.026 0.000 0.995 316 R CB -0.242 30.059 30.300 0.003 0.000 0.893 316 R HN 0.179 8.338 8.270 0.017 0.121 0.459 317 R N -1.096 119.409 120.500 0.007 0.000 2.127 317 R HA -0.105 nan 4.340 nan 0.000 0.217 317 R C 1.317 177.601 176.300 -0.026 0.000 1.074 317 R CA 2.004 58.106 56.100 0.004 0.000 0.991 317 R CB -0.925 29.398 30.300 0.038 0.000 0.895 317 R HN -0.024 8.075 8.270 0.011 0.177 0.450 318 A N -0.313 122.488 122.820 -0.031 0.000 1.898 318 A HA -0.162 nan 4.320 nan 0.000 0.216 318 A C 1.920 179.478 177.584 -0.043 0.000 1.181 318 A CA 3.157 55.167 52.037 -0.045 0.000 0.620 318 A CB -0.776 18.202 19.000 -0.036 0.000 0.819 318 A HN -0.125 7.925 8.150 -0.024 0.086 0.442 319 V N -1.030 118.872 119.914 -0.019 0.000 2.278 319 V HA -0.592 nan 4.120 nan 0.000 0.251 319 V C 2.494 178.529 176.094 -0.098 0.000 1.062 319 V CA 4.432 66.691 62.300 -0.069 0.000 1.038 319 V CB -0.929 30.864 31.823 -0.050 0.000 0.646 319 V HN -0.149 8.054 8.190 0.022 0.000 0.447 320 Q N -1.705 118.048 119.800 -0.079 0.000 1.965 320 Q HA -0.310 nan 4.340 nan 0.000 0.200 320 Q C 2.860 178.789 176.000 -0.120 0.000 0.981 320 Q CA 2.944 58.693 55.803 -0.090 0.000 0.834 320 Q CB -0.181 28.516 28.738 -0.068 0.000 0.900 320 Q HN -0.726 7.510 8.270 -0.057 0.000 0.426 321 L N -0.901 120.244 121.223 -0.130 0.000 2.064 321 L HA -0.425 nan 4.340 nan 0.000 0.216 321 L C 1.566 178.335 176.870 -0.167 0.000 1.077 321 L CA 2.750 57.477 54.840 -0.188 0.000 0.766 321 L CB -0.412 41.533 42.059 -0.189 0.000 0.890 321 L HN -0.363 7.804 8.230 -0.105 0.000 0.435 322 N N -5.227 113.393 118.700 -0.134 0.000 2.236 322 N HA 0.113 nan 4.740 nan 0.000 0.196 322 N C -0.634 174.785 175.510 -0.152 0.000 1.114 322 N CA -0.224 52.748 53.050 -0.129 0.000 0.859 322 N CB 1.039 39.466 38.487 -0.100 0.000 0.982 322 N HN -0.404 7.887 8.380 -0.120 0.017 0.493 323 S N -1.892 113.716 115.700 -0.153 0.000 3.477 323 S HA -0.435 nan 4.470 nan 0.000 0.371 323 S C 0.008 174.479 174.600 -0.216 0.000 0.965 323 S CA 0.951 59.050 58.200 -0.168 0.000 1.239 323 S CB -2.202 60.904 63.200 -0.157 0.000 0.918 323 S HN -0.115 7.929 8.310 -0.142 0.181 0.498 324 L N -1.905 119.177 121.223 -0.234 0.000 2.483 324 L HA -0.199 nan 4.340 nan 0.000 0.276 324 L C 0.970 177.599 176.870 -0.402 0.000 1.213 324 L CA 1.230 55.874 54.840 -0.326 0.000 0.843 324 L CB 0.470 42.301 42.059 -0.379 0.000 1.107 324 L HN -0.411 7.700 8.230 -0.199 0.000 0.487 325 S N 0.319 115.697 115.700 -0.537 0.000 2.545 325 S HA 0.275 nan 4.470 nan 0.000 0.232 325 S C -0.344 173.941 174.600 -0.524 0.000 1.070 325 S CA 0.908 58.747 58.200 -0.602 0.000 0.923 325 S CB 1.977 64.570 63.200 -1.012 0.000 0.806 325 S HN 0.310 8.274 8.310 -0.577 0.000 0.506 326 G N -0.900 107.588 108.800 -0.519 0.000 2.673 326 G HA2 0.398 nan 3.960 nan 0.000 0.292 326 G HA3 0.398 nan 3.960 nan 0.000 0.292 326 G C -3.296 171.450 174.900 -0.257 0.000 1.450 326 G CA 0.571 45.498 45.100 -0.289 0.000 0.837 326 G HN -0.864 7.086 8.290 -0.566 0.000 0.505 327 F N -0.343 119.608 119.950 0.002 0.000 2.403 327 F HA 0.751 nan 4.527 nan 0.000 0.326 327 F C -1.224 174.584 175.800 0.013 0.000 1.081 327 F CA -2.504 55.494 58.000 -0.004 0.000 1.041 327 F CB 3.519 42.503 39.000 -0.026 0.000 1.234 327 F HN 0.613 8.779 8.300 -0.037 0.112 0.503 328 C N 4.839 124.294 119.300 0.258 0.000 2.816 328 C HA 0.568 nan 4.460 nan 0.000 0.255 328 C C -0.998 174.038 174.990 0.077 0.000 1.141 328 C CA -2.164 56.930 59.018 0.127 0.000 1.554 328 C CB -0.626 27.168 27.740 0.090 0.000 1.778 328 C HN 0.210 8.626 8.230 0.311 0.000 0.429 329 L N 9.968 131.220 121.223 0.049 0.000 2.559 329 L HA 0.123 nan 4.340 nan 0.000 0.274 329 L C -1.773 175.102 176.870 0.009 0.000 1.205 329 L CA 0.757 55.591 54.840 -0.011 0.000 0.907 329 L CB 1.164 43.208 42.059 -0.026 0.000 1.153 329 L HN -0.174 8.101 8.230 0.074 0.000 0.490 330 T N 1.391 115.948 114.554 0.006 0.000 2.924 330 T HA 0.462 nan 4.350 nan 0.000 0.291 330 T C -0.114 174.629 174.700 0.071 0.000 1.045 330 T CA -2.131 59.983 62.100 0.023 0.000 1.015 330 T CB 2.493 71.361 68.868 -0.001 0.000 1.103 330 T HN 1.052 9.170 8.240 -0.019 0.111 0.496 331 K N 2.243 122.706 120.400 0.105 0.000 3.278 331 K HA -0.443 nan 4.320 nan 0.000 0.270 331 K C -0.348 176.436 176.600 0.307 0.000 0.955 331 K CA 1.616 58.025 56.287 0.203 0.000 0.723 331 K CB -1.443 31.191 32.500 0.223 0.000 1.382 331 K HN 0.748 9.043 8.250 0.074 0.000 0.461 332 L N -2.423 118.960 121.223 0.267 0.000 2.072 332 L HA -0.277 nan 4.340 nan 0.000 0.205 332 L C 1.047 178.170 176.870 0.422 0.000 1.079 332 L CA 3.117 58.170 54.840 0.355 0.000 0.752 332 L CB 0.280 42.483 42.059 0.239 0.000 0.906 332 L HN 0.061 8.404 8.230 0.189 0.000 0.436 333 D N -0.309 120.297 120.400 0.344 0.000 2.170 333 D HA -0.398 nan 4.640 nan 0.000 0.193 333 D C 2.369 178.856 176.300 0.312 0.000 1.004 333 D CA 2.914 57.133 54.000 0.364 0.000 0.860 333 D CB -1.990 39.022 40.800 0.354 0.000 0.931 333 D HN 0.273 8.811 8.370 0.279 0.000 0.448 334 V N -0.223 119.840 119.914 0.248 0.000 2.363 334 V HA -0.311 nan 4.120 nan 0.000 0.254 334 V C 1.674 177.823 176.094 0.091 0.000 1.074 334 V CA 2.581 64.933 62.300 0.087 0.000 1.069 334 V CB -0.625 31.229 31.823 0.052 0.000 0.659 334 V HN -0.371 7.985 8.190 0.290 0.008 0.455 335 L N -4.005 117.359 121.223 0.234 0.000 2.627 335 L HA -0.017 nan 4.340 nan 0.000 0.233 335 L C 0.343 177.171 176.870 -0.070 0.000 1.144 335 L CA -0.219 54.718 54.840 0.161 0.000 0.892 335 L CB -0.629 41.565 42.059 0.224 0.000 1.039 335 L HN -0.053 8.246 8.230 0.359 0.147 0.442 336 D N 0.435 120.905 120.400 0.117 0.000 2.384 336 D HA -0.003 nan 4.640 nan 0.000 0.244 336 D C 1.150 177.422 176.300 -0.046 0.000 1.251 336 D CA 1.572 55.566 54.000 -0.009 0.000 0.961 336 D CB 0.315 41.280 40.800 0.276 0.000 1.116 336 D HN 0.164 8.466 8.370 0.246 0.215 0.484 337 G N -1.746 107.009 108.800 -0.076 0.000 2.212 337 G HA2 -0.368 nan 3.960 nan 0.000 0.267 337 G HA3 -0.368 nan 3.960 nan 0.000 0.267 337 G C -0.553 174.272 174.900 -0.125 0.000 1.002 337 G CA 1.122 46.208 45.100 -0.023 0.000 0.729 337 G HN 0.013 8.253 8.290 -0.083 0.000 0.517 338 L N -3.728 117.330 121.223 -0.275 0.000 2.335 338 L HA 0.097 nan 4.340 nan 0.000 0.268 338 L C 0.295 176.976 176.870 -0.315 0.000 1.016 338 L CA -1.314 53.326 54.840 -0.334 0.000 0.805 338 L CB 1.633 43.492 42.059 -0.334 0.000 1.311 338 L HN -0.748 7.191 8.230 -0.394 0.054 0.456 339 K N -0.370 119.870 120.400 -0.267 0.000 2.329 339 K HA 0.046 nan 4.320 nan 0.000 0.198 339 K C -0.460 176.007 176.600 -0.223 0.000 1.085 339 K CA 1.324 57.486 56.287 -0.209 0.000 0.961 339 K CB 1.167 33.574 32.500 -0.155 0.000 0.971 339 K HN 0.287 8.379 8.250 -0.264 0.000 0.502 340 E N -0.997 119.057 120.200 -0.243 0.000 2.312 340 E HA 0.556 nan 4.350 nan 0.000 0.267 340 E C -1.853 174.492 176.600 -0.427 0.000 0.894 340 E CA -1.334 54.898 56.400 -0.280 0.000 0.773 340 E CB 3.672 33.238 29.700 -0.223 0.000 1.241 340 E HN -0.627 7.595 8.360 -0.229 0.000 0.432 341 V N -2.831 116.752 119.914 -0.552 0.000 2.841 341 V HA 0.578 nan 4.120 nan 0.000 0.310 341 V C -2.530 173.050 176.094 -0.856 0.000 1.090 341 V CA -2.488 59.286 62.300 -0.878 0.000 0.930 341 V CB 3.511 34.931 31.823 -0.671 0.000 1.014 341 V HN 1.072 8.909 8.190 -0.411 0.106 0.425 342 K N 1.993 121.580 120.400 -1.354 0.000 2.444 342 K HA 0.988 nan 4.320 nan 0.000 0.252 342 K C -1.529 174.920 176.600 -0.252 0.000 0.993 342 K CA -1.462 54.365 56.287 -0.766 0.000 0.847 342 K CB 3.433 35.350 32.500 -0.972 0.000 1.340 342 K HN -0.191 6.702 8.250 -2.262 0.000 0.446 343 L N -6.006 115.291 121.223 0.124 0.000 2.470 343 L HA 0.629 nan 4.340 nan 0.000 0.268 343 L C -0.606 176.434 176.870 0.283 0.000 0.964 343 L CA -1.596 53.426 54.840 0.302 0.000 0.839 343 L CB 2.431 44.643 42.059 0.255 0.000 1.276 343 L HN 0.067 8.355 8.230 0.096 0.000 0.403 344 C N 5.273 124.753 119.300 0.299 0.000 2.657 344 C HA 0.239 nan 4.460 nan 0.000 0.420 344 C C 0.362 175.352 174.990 -0.001 0.000 1.323 344 C CA 1.274 60.315 59.018 0.038 0.000 1.894 344 C CB 0.267 28.052 27.740 0.076 0.000 2.681 344 C HN 0.615 9.089 8.230 0.407 0.000 0.613 345 V N -1.188 118.680 119.914 -0.077 0.000 3.440 345 V HA 0.485 nan 4.120 nan 0.000 0.301 345 V C -1.836 174.178 176.094 -0.133 0.000 1.555 345 V CA -1.151 61.102 62.300 -0.079 0.000 1.095 345 V CB 1.007 32.815 31.823 -0.025 0.000 0.936 345 V HN 0.427 8.550 8.190 -0.112 0.000 0.452 346 A N -1.630 121.072 122.820 -0.197 0.000 2.522 346 A HA 0.478 nan 4.320 nan 0.000 0.294 346 A C -2.972 174.546 177.584 -0.109 0.000 1.001 346 A CA 0.739 52.666 52.037 -0.184 0.000 0.642 346 A CB 1.502 20.459 19.000 -0.071 0.000 1.326 346 A HN -0.821 7.204 8.150 -0.207 0.000 0.435 347 Y N -2.183 118.093 120.300 -0.040 0.000 2.545 347 Y HA 0.775 nan 4.550 nan 0.000 0.348 347 Y C -2.258 173.616 175.900 -0.044 0.000 1.002 347 Y CA -2.636 55.435 58.100 -0.047 0.000 1.039 347 Y CB 4.987 43.417 38.460 -0.049 0.000 1.271 347 Y HN 0.473 8.752 8.280 -0.003 0.000 0.467 348 R N 1.329 121.907 120.500 0.131 0.000 2.343 348 R HA 0.673 nan 4.340 nan 0.000 0.320 348 R C -0.941 175.368 176.300 0.016 0.000 0.956 348 R CA -1.686 54.447 56.100 0.055 0.000 0.836 348 R CB 2.593 32.917 30.300 0.041 0.000 1.151 348 R HN 1.179 9.390 8.270 0.122 0.132 0.450 349 M N 6.597 126.197 119.600 -0.001 0.000 2.228 349 M HA 0.274 nan 4.480 nan 0.000 0.326 349 M C -1.022 175.263 176.300 -0.025 0.000 1.122 349 M CA -3.122 52.157 55.300 -0.035 0.000 1.161 349 M CB -1.319 31.258 32.600 -0.038 0.000 1.437 349 M HN 0.983 9.280 8.290 0.010 0.000 0.465 350 P HA -0.115 nan 4.420 nan 0.000 0.246 350 P C -1.777 175.517 177.300 -0.010 0.000 1.675 350 P CA 1.087 64.177 63.100 -0.017 0.000 0.908 350 P CB -1.843 29.847 31.700 -0.018 0.000 1.890 351 D N -3.962 116.434 120.400 -0.007 0.000 2.601 351 D HA -0.052 nan 4.640 nan 0.000 0.350 351 D C 0.725 177.025 176.300 0.001 0.000 1.386 351 D CA -0.262 53.736 54.000 -0.003 0.000 0.929 351 D CB 0.689 41.485 40.800 -0.006 0.000 1.456 351 D HN 0.281 8.540 8.370 -0.007 0.107 0.430 352 G N 1.782 110.584 108.800 0.003 0.000 2.279 352 G HA2 -0.415 nan 3.960 nan 0.000 0.223 352 G HA3 -0.415 nan 3.960 nan 0.000 0.223 352 G C -1.146 173.759 174.900 0.008 0.000 1.015 352 G CA 0.150 45.254 45.100 0.007 0.000 0.621 352 G HN 0.299 8.590 8.290 0.002 0.000 0.506 353 R N 1.947 122.450 120.500 0.005 0.000 2.490 353 R HA 0.066 nan 4.340 nan 0.000 0.278 353 R C -1.665 174.642 176.300 0.012 0.000 1.069 353 R CA -0.394 55.709 56.100 0.006 0.000 1.080 353 R CB 0.830 31.132 30.300 0.002 0.000 1.030 353 R HN -0.511 7.935 8.270 0.002 -0.174 0.491 354 E N 0.833 121.040 120.200 0.013 0.000 2.114 354 E HA 0.565 nan 4.350 nan 0.000 0.266 354 E C -0.767 175.838 176.600 0.009 0.000 0.896 354 E CA -1.102 55.309 56.400 0.020 0.000 0.750 354 E CB 0.946 30.656 29.700 0.016 0.000 1.121 354 E HN 0.053 8.418 8.360 0.009 0.000 0.413 355 V N -0.365 119.558 119.914 0.015 0.000 2.850 355 V HA 0.531 nan 4.120 nan 0.000 0.315 355 V C -0.163 175.906 176.094 -0.043 0.000 1.064 355 V CA -2.594 59.703 62.300 -0.004 0.000 0.979 355 V CB 2.534 34.361 31.823 0.007 0.000 1.039 355 V HN 0.371 8.586 8.190 0.042 0.000 0.452 356 T N -0.608 113.910 114.554 -0.060 0.000 3.044 356 T HA 0.209 nan 4.350 nan 0.000 0.260 356 T C -1.290 173.346 174.700 -0.106 0.000 1.019 356 T CA 0.869 62.905 62.100 -0.107 0.000 0.921 356 T CB 0.139 68.964 68.868 -0.072 0.000 1.053 356 T HN 0.319 8.536 8.240 -0.038 0.000 0.533 357 T N -1.605 112.915 114.554 -0.057 0.000 2.797 357 T HA 0.284 nan 4.350 nan 0.000 0.279 357 T C -0.067 174.651 174.700 0.029 0.000 0.991 357 T CA -2.145 59.945 62.100 -0.017 0.000 0.979 357 T CB 1.651 70.521 68.868 0.003 0.000 0.943 357 T HN -0.761 7.408 8.240 -0.037 0.048 0.444 358 T N 7.832 122.439 114.554 0.088 0.000 2.765 358 T HA -0.088 nan 4.350 nan 0.000 0.275 358 T C -0.335 174.458 174.700 0.155 0.000 1.007 358 T CA 0.856 63.101 62.100 0.241 0.000 1.175 358 T CB -0.397 68.671 68.868 0.333 0.000 0.993 358 T HN 0.400 8.678 8.240 0.063 0.000 0.510 359 P HA 0.182 nan 4.420 nan 0.000 0.293 359 P C -0.914 176.415 177.300 0.048 0.000 1.298 359 P CA -0.826 62.269 63.100 -0.009 0.000 0.757 359 P CB 0.922 32.539 31.700 -0.138 0.000 1.262 360 L N -2.108 119.133 121.223 0.030 0.000 2.467 360 L HA -0.107 nan 4.340 nan 0.000 0.270 360 L C 1.871 178.840 176.870 0.165 0.000 1.205 360 L CA -0.365 54.533 54.840 0.098 0.000 0.828 360 L CB 0.145 42.242 42.059 0.063 0.000 1.101 360 L HN -0.035 8.190 8.230 -0.007 0.000 0.479 361 A N 2.475 125.470 122.820 0.291 0.000 2.070 361 A HA -0.184 nan 4.320 nan 0.000 0.220 361 A C -0.047 177.747 177.584 0.349 0.000 1.159 361 A CA 2.301 54.620 52.037 0.471 0.000 0.656 361 A CB -0.444 18.788 19.000 0.386 0.000 0.800 361 A HN 0.492 8.780 8.150 0.231 0.000 0.453 362 A N -3.698 119.239 122.820 0.195 0.000 3.003 362 A HA 0.215 nan 4.320 nan 0.000 0.301 362 A C -0.835 176.790 177.584 0.069 0.000 1.280 362 A CA -0.052 52.072 52.037 0.144 0.000 0.973 362 A CB -0.893 18.180 19.000 0.122 0.000 1.110 362 A HN -0.112 8.093 8.150 0.157 0.040 0.590 363 D N 1.306 121.712 120.400 0.009 0.000 2.566 363 D HA 0.076 nan 4.640 nan 0.000 0.253 363 D C -0.565 175.702 176.300 -0.056 0.000 0.992 363 D CA 1.120 55.088 54.000 -0.054 0.000 0.940 363 D CB 1.344 42.071 40.800 -0.123 0.000 1.095 363 D HN -0.344 7.962 8.370 -0.003 0.063 0.480 364 D N -1.913 118.431 120.400 -0.093 0.000 3.345 364 D HA 0.088 nan 4.640 nan 0.000 0.124 364 D C -0.348 175.909 176.300 -0.073 0.000 0.894 364 D CA 0.427 54.409 54.000 -0.031 0.000 1.940 364 D CB -0.131 40.651 40.800 -0.029 0.000 0.840 364 D HN -0.060 8.204 8.370 -0.177 0.000 0.885 365 W N 4.361 125.694 121.300 0.054 0.000 2.355 365 W HA -0.252 nan 4.660 nan 0.000 0.309 365 W C 0.179 176.703 176.519 0.007 0.000 1.206 365 W CA 2.630 59.999 57.345 0.039 0.000 1.284 365 W CB 0.154 29.664 29.460 0.084 0.000 1.145 365 W HN 0.574 8.923 8.180 0.281 0.000 0.502 366 K N -1.828 118.713 120.400 0.234 0.000 2.486 366 K HA -0.074 nan 4.320 nan 0.000 0.194 366 K C 1.008 177.652 176.600 0.074 0.000 1.033 366 K CA 0.597 56.970 56.287 0.143 0.000 1.004 366 K CB -0.166 32.399 32.500 0.108 0.000 0.798 366 K HN -0.107 8.284 8.250 0.235 0.000 0.495 367 G N -0.375 108.450 108.800 0.041 0.000 2.404 367 G HA2 -0.177 nan 3.960 nan 0.000 0.213 367 G HA3 -0.177 nan 3.960 nan 0.000 0.213 367 G C -0.676 174.210 174.900 -0.023 0.000 1.189 367 G CA 0.160 45.263 45.100 0.004 0.000 0.796 367 G HN -0.525 7.747 8.290 0.050 0.049 0.532 368 V N 2.894 122.759 119.914 -0.082 0.000 2.839 368 V HA -0.330 nan 4.120 nan 0.000 0.296 368 V C -1.486 174.556 176.094 -0.087 0.000 1.239 368 V CA 1.108 63.319 62.300 -0.150 0.000 1.349 368 V CB 0.024 31.629 31.823 -0.364 0.000 0.852 368 V HN -0.670 7.459 8.190 -0.101 0.000 0.504 369 E N 9.373 129.544 120.200 -0.049 0.000 2.199 369 E HA 0.557 nan 4.350 nan 0.000 0.265 369 E C -2.329 174.297 176.600 0.042 0.000 0.882 369 E CA -3.902 52.507 56.400 0.015 0.000 0.759 369 E CB 3.293 33.017 29.700 0.040 0.000 1.148 369 E HN 0.529 8.864 8.360 -0.041 0.000 0.412 370 P HA 0.273 nan 4.420 nan 0.000 0.282 370 P C -1.214 175.971 177.300 -0.191 0.000 1.262 370 P CA -0.394 62.677 63.100 -0.048 0.000 0.773 370 P CB 0.393 31.955 31.700 -0.230 0.000 0.879 371 I N 5.047 125.522 120.570 -0.158 0.000 2.297 371 I HA 0.087 nan 4.170 nan 0.000 0.291 371 I C -1.183 174.823 176.117 -0.184 0.000 1.033 371 I CA -0.519 60.728 61.300 -0.089 0.000 1.253 371 I CB 0.454 38.442 38.000 -0.019 0.000 1.396 371 I HN 0.406 8.473 8.210 -0.072 0.100 0.476 372 Y N 6.424 126.779 120.300 0.092 0.000 2.376 372 Y HA 0.226 nan 4.550 nan 0.000 0.325 372 Y C -0.936 174.975 175.900 0.019 0.000 1.199 372 Y CA -1.139 57.000 58.100 0.065 0.000 1.206 372 Y CB 1.384 39.875 38.460 0.051 0.000 1.229 372 Y HN 0.222 8.613 8.280 0.185 0.000 0.480 373 E N 2.315 122.613 120.200 0.163 0.000 2.166 373 E HA 0.329 nan 4.350 nan 0.000 0.275 373 E C -1.113 175.507 176.600 0.033 0.000 0.941 373 E CA -1.382 55.065 56.400 0.079 0.000 0.784 373 E CB 3.024 32.760 29.700 0.061 0.000 1.115 373 E HN 0.218 8.692 8.360 0.190 0.000 0.399 374 T N 5.912 120.462 114.554 -0.005 0.000 2.837 374 T HA 0.599 nan 4.350 nan 0.000 0.285 374 T C -0.657 174.005 174.700 -0.064 0.000 0.984 374 T CA -0.202 61.851 62.100 -0.079 0.000 1.049 374 T CB 0.727 69.549 68.868 -0.077 0.000 0.947 374 T HN 0.390 8.638 8.240 0.013 0.000 0.472 375 M N 4.061 123.594 119.600 -0.112 0.000 2.324 375 M HA 0.428 nan 4.480 nan 0.000 0.288 375 M C -2.935 173.307 176.300 -0.097 0.000 1.097 375 M CA -2.205 53.062 55.300 -0.055 0.000 0.928 375 M CB 4.188 36.801 32.600 0.023 0.000 1.648 375 M HN 0.999 9.066 8.290 -0.203 0.101 0.460 376 P HA -0.002 nan 4.420 nan 0.000 0.268 376 P C -1.439 175.824 177.300 -0.061 0.000 1.205 376 P CA 0.095 63.157 63.100 -0.063 0.000 0.771 376 P CB 0.169 31.863 31.700 -0.010 0.000 0.858 377 G N 1.028 109.715 108.800 -0.189 0.000 2.525 377 G HA2 0.290 nan 3.960 nan 0.000 0.287 377 G HA3 0.290 nan 3.960 nan 0.000 0.287 377 G C -1.967 172.845 174.900 -0.146 0.000 1.350 377 G CA -0.853 44.007 45.100 -0.399 0.000 1.039 377 G HN 0.502 8.438 8.290 -0.199 0.234 0.513 378 W N -3.829 117.456 121.300 -0.025 0.000 2.736 378 W HA 0.417 nan 4.660 nan 0.000 0.335 378 W C -0.382 176.145 176.519 0.014 0.000 1.059 378 W CA -1.884 55.462 57.345 0.001 0.000 1.226 378 W CB 1.522 30.993 29.460 0.018 0.000 1.416 378 W HN -0.002 7.205 8.180 -1.622 0.000 0.505 379 S N 0.176 115.934 115.700 0.097 0.000 2.524 379 S HA -0.142 nan 4.470 nan 0.000 0.216 379 S C 0.043 174.722 174.600 0.133 0.000 0.987 379 S CA 0.648 58.877 58.200 0.049 0.000 0.909 379 S CB -0.123 63.094 63.200 0.030 0.000 0.781 379 S HN 0.183 8.588 8.310 0.157 0.000 0.521 380 E N 1.977 122.318 120.200 0.235 0.000 2.620 380 E HA 0.020 nan 4.350 nan 0.000 0.255 380 E C -0.526 176.239 176.600 0.275 0.000 1.346 380 E CA -0.502 56.028 56.400 0.215 0.000 1.013 380 E CB 0.600 30.410 29.700 0.183 0.000 1.131 380 E HN -0.403 8.093 8.360 0.301 0.045 0.608 381 S N -2.981 112.842 115.700 0.206 0.000 2.758 381 S HA 0.402 nan 4.470 nan 0.000 0.292 381 S C -0.181 174.538 174.600 0.198 0.000 1.131 381 S CA -0.642 57.686 58.200 0.214 0.000 0.997 381 S CB 0.923 64.220 63.200 0.162 0.000 1.111 381 S HN -0.168 8.236 8.310 0.157 0.000 0.552 382 T N 1.764 116.444 114.554 0.209 0.000 3.200 382 T HA 0.094 nan 4.350 nan 0.000 0.259 382 T C -1.054 173.737 174.700 0.152 0.000 0.855 382 T CA 0.752 62.938 62.100 0.144 0.000 0.865 382 T CB 1.083 70.023 68.868 0.121 0.000 1.270 382 T HN 0.166 8.555 8.240 0.246 -0.002 0.563 383 F N 4.772 124.770 119.950 0.079 0.000 2.495 383 F HA -0.341 nan 4.527 nan 0.000 0.339 383 F C 0.100 175.926 175.800 0.044 0.000 1.226 383 F CA 1.498 59.535 58.000 0.061 0.000 0.998 383 F CB -0.495 38.541 39.000 0.060 0.000 1.180 383 F HN -0.435 8.084 8.300 0.365 0.000 0.611 384 G N 5.027 113.652 108.800 -0.292 0.000 2.205 384 G HA2 -0.222 nan 3.960 nan 0.000 0.180 384 G HA3 -0.222 nan 3.960 nan 0.000 0.180 384 G C -1.010 173.840 174.900 -0.083 0.000 1.004 384 G CA -0.626 44.351 45.100 -0.206 0.000 0.670 384 G HN -0.485 7.609 8.290 -0.326 0.000 0.496 385 V N 1.162 121.044 119.914 -0.053 0.000 2.715 385 V HA -0.027 nan 4.120 nan 0.000 0.299 385 V C -0.099 175.969 176.094 -0.044 0.000 1.054 385 V CA 0.686 62.968 62.300 -0.029 0.000 1.077 385 V CB 0.834 32.647 31.823 -0.016 0.000 0.972 385 V HN -0.175 7.986 8.190 -0.049 0.000 0.484 386 K N 5.941 126.323 120.400 -0.030 0.000 3.205 386 K HA 0.235 nan 4.320 nan 0.000 0.202 386 K C -1.921 174.665 176.600 -0.022 0.000 1.160 386 K CA -0.618 55.651 56.287 -0.030 0.000 0.995 386 K CB -0.384 32.100 32.500 -0.026 0.000 1.041 386 K HN 0.418 8.656 8.250 -0.019 0.000 0.507 387 D N -2.755 117.631 120.400 -0.024 0.000 2.842 387 D HA -0.066 nan 4.640 nan 0.000 0.248 387 D C -1.348 174.937 176.300 -0.025 0.000 1.140 387 D CA 0.073 54.061 54.000 -0.020 0.000 0.728 387 D CB 1.538 42.330 40.800 -0.013 0.000 1.595 387 D HN -0.529 7.824 8.370 -0.029 0.000 0.450 388 R N 2.505 122.991 120.500 -0.023 0.000 2.070 388 R HA -0.233 nan 4.340 nan 0.000 0.232 388 R C 1.603 177.888 176.300 -0.025 0.000 1.138 388 R CA 2.911 58.994 56.100 -0.028 0.000 0.936 388 R CB 0.451 30.739 30.300 -0.020 0.000 0.839 388 R HN 0.326 8.585 8.270 -0.018 0.000 0.429 389 S N -0.119 115.572 115.700 -0.016 0.000 2.389 389 S HA -0.337 nan 4.470 nan 0.000 0.229 389 S C 2.271 176.864 174.600 -0.011 0.000 1.048 389 S CA 3.206 61.400 58.200 -0.010 0.000 1.117 389 S CB -0.221 62.976 63.200 -0.005 0.000 1.020 389 S HN 0.181 8.818 8.310 -0.013 -0.335 0.430 390 G N 0.374 109.168 108.800 -0.009 0.000 3.397 390 G HA2 -0.043 nan 3.960 nan 0.000 0.248 390 G HA3 -0.043 nan 3.960 nan 0.000 0.248 390 G C -1.175 173.715 174.900 -0.016 0.000 1.284 390 G CA -0.371 44.726 45.100 -0.006 0.000 1.570 390 G HN 0.233 9.060 8.290 -0.009 -0.543 0.587 391 L N -0.049 121.154 121.223 -0.032 0.000 2.385 391 L HA 0.491 nan 4.340 nan 0.000 0.273 391 L C -2.074 174.752 176.870 -0.073 0.000 0.990 391 L CA -3.350 51.450 54.840 -0.067 0.000 0.821 391 L CB 2.534 44.541 42.059 -0.086 0.000 1.279 391 L HN -0.251 7.855 8.230 -0.029 0.106 0.412 392 P HA -0.015 nan 4.420 nan 0.000 0.264 392 P C 0.252 177.514 177.300 -0.063 0.000 1.183 392 P CA -0.261 62.807 63.100 -0.054 0.000 0.763 392 P CB 1.020 32.708 31.700 -0.020 0.000 0.807 393 Q N 5.997 125.796 119.800 -0.001 0.000 2.152 393 Q HA -0.451 nan 4.340 nan 0.000 0.206 393 Q C 1.345 177.361 176.000 0.028 0.000 0.985 393 Q CA 3.944 59.754 55.803 0.012 0.000 0.863 393 Q CB -0.320 28.438 28.738 0.033 0.000 0.904 393 Q HN 0.793 9.075 8.270 0.021 0.000 0.422 394 A N -2.521 120.344 122.820 0.075 0.000 1.898 394 A HA -0.196 nan 4.320 nan 0.000 0.214 394 A C 1.361 179.007 177.584 0.103 0.000 1.183 394 A CA 2.648 54.788 52.037 0.171 0.000 0.622 394 A CB -0.955 18.246 19.000 0.336 0.000 0.824 394 A HN 0.337 8.520 8.150 0.091 0.021 0.444 395 A N -1.225 121.433 122.820 -0.271 0.000 1.858 395 A HA -0.257 nan 4.320 nan 0.000 0.216 395 A C 2.217 179.626 177.584 -0.291 0.000 1.190 395 A CA 2.560 54.068 52.037 -0.881 0.000 0.617 395 A CB -0.771 17.441 19.000 -1.314 0.000 0.827 395 A HN -0.474 7.458 8.150 -0.237 0.076 0.443 396 L N -2.072 119.038 121.223 -0.188 0.000 2.197 396 L HA -0.473 nan 4.340 nan 0.000 0.215 396 L C 1.900 178.761 176.870 -0.014 0.000 1.095 396 L CA 3.680 58.470 54.840 -0.083 0.000 0.764 396 L CB -0.298 41.728 42.059 -0.056 0.000 0.897 396 L HN 0.197 8.303 8.230 -0.207 0.000 0.436 397 N N -2.092 116.626 118.700 0.031 0.000 2.446 397 N HA -0.208 nan 4.740 nan 0.000 0.179 397 N C 1.903 177.497 175.510 0.141 0.000 1.054 397 N CA 2.694 55.790 53.050 0.076 0.000 0.905 397 N CB 0.360 38.897 38.487 0.085 0.000 0.973 397 N HN -0.597 7.665 8.380 0.022 0.130 0.448 398 Y N 1.842 122.152 120.300 0.016 0.000 2.263 398 Y HA -0.264 nan 4.550 nan 0.000 0.292 398 Y C 1.171 177.086 175.900 0.025 0.000 1.130 398 Y CA 2.406 60.542 58.100 0.059 0.000 1.179 398 Y CB 0.209 38.735 38.460 0.110 0.000 0.998 398 Y HN 0.242 8.466 8.280 0.202 0.177 0.532 399 I N -1.197 119.339 120.570 -0.056 0.000 2.076 399 I HA -0.622 nan 4.170 nan 0.000 0.237 399 I C 1.932 178.004 176.117 -0.074 0.000 1.059 399 I CA 3.295 64.525 61.300 -0.117 0.000 1.317 399 I CB -1.144 36.821 38.000 -0.059 0.000 1.037 399 I HN -0.650 7.562 8.210 0.028 0.014 0.398 400 K N -1.564 118.822 120.400 -0.024 0.000 2.160 400 K HA -0.412 nan 4.320 nan 0.000 0.206 400 K C 2.638 179.235 176.600 -0.005 0.000 1.047 400 K CA 3.582 59.866 56.287 -0.005 0.000 0.930 400 K CB -0.695 31.809 32.500 0.007 0.000 0.720 400 K HN -0.631 7.612 8.250 -0.012 0.000 0.450 401 R N -1.652 118.843 120.500 -0.008 0.000 2.073 401 R HA -0.178 nan 4.340 nan 0.000 0.229 401 R C 2.347 178.626 176.300 -0.034 0.000 1.120 401 R CA 2.662 58.761 56.100 -0.001 0.000 0.967 401 R CB -0.536 29.787 30.300 0.038 0.000 0.862 401 R HN -0.679 7.567 8.270 -0.003 0.023 0.436 402 I N -0.483 120.022 120.570 -0.108 0.000 2.361 402 I HA -0.462 nan 4.170 nan 0.000 0.251 402 I C 1.933 178.043 176.117 -0.011 0.000 1.133 402 I CA 3.607 64.825 61.300 -0.137 0.000 1.413 402 I CB -0.485 37.335 38.000 -0.299 0.000 1.073 402 I HN -0.699 7.325 8.210 -0.151 0.095 0.424 403 E N 0.207 120.417 120.200 0.016 0.000 2.016 403 E HA -0.351 nan 4.350 nan 0.000 0.190 403 E C 2.445 179.071 176.600 0.043 0.000 0.985 403 E CA 3.622 60.061 56.400 0.065 0.000 0.802 403 E CB -0.297 29.429 29.700 0.044 0.000 0.762 403 E HN 0.183 8.439 8.360 -0.018 0.093 0.448 404 E N -0.052 120.160 120.200 0.021 0.000 2.130 404 E HA -0.323 nan 4.350 nan 0.000 0.196 404 E C 2.419 179.028 176.600 0.014 0.000 0.998 404 E CA 2.850 59.258 56.400 0.014 0.000 0.806 404 E CB -0.253 29.454 29.700 0.010 0.000 0.738 404 E HN 0.055 8.317 8.360 0.014 0.107 0.459 405 L N -3.520 117.713 121.223 0.017 0.000 2.109 405 L HA -0.155 nan 4.340 nan 0.000 0.207 405 L C 1.710 178.595 176.870 0.025 0.000 1.086 405 L CA 2.525 57.374 54.840 0.014 0.000 0.760 405 L CB 0.349 42.413 42.059 0.010 0.000 0.910 405 L HN -0.308 7.931 8.230 0.015 0.000 0.437 406 T N -6.253 108.337 114.554 0.060 0.000 3.044 406 T HA 0.094 nan 4.350 nan 0.000 0.255 406 T C 1.606 176.334 174.700 0.047 0.000 1.073 406 T CA 1.201 63.359 62.100 0.097 0.000 1.125 406 T CB 0.465 69.504 68.868 0.285 0.000 0.908 406 T HN -0.513 7.769 8.240 0.070 0.000 0.480 407 G N 2.023 110.844 108.800 0.034 0.000 2.153 407 G HA2 -0.390 nan 3.960 nan 0.000 0.252 407 G HA3 -0.390 nan 3.960 nan 0.000 0.252 407 G C -1.013 173.865 174.900 -0.036 0.000 0.994 407 G CA 0.396 45.493 45.100 -0.004 0.000 0.698 407 G HN 0.425 8.628 8.290 0.049 0.116 0.521 408 V N 1.335 121.230 119.914 -0.030 0.000 2.540 408 V HA 0.362 nan 4.120 nan 0.000 0.302 408 V C -2.333 173.714 176.094 -0.078 0.000 1.035 408 V CA -3.055 59.144 62.300 -0.168 0.000 0.873 408 V CB 3.006 34.528 31.823 -0.500 0.000 0.992 408 V HN -0.369 7.816 8.190 0.060 0.041 0.428 409 P HA 0.151 nan 4.420 nan 0.000 0.275 409 P C -1.209 176.127 177.300 0.060 0.000 1.227 409 P CA -0.908 62.192 63.100 0.000 0.000 0.781 409 P CB 1.023 32.713 31.700 -0.017 0.000 0.906 410 I N 2.762 123.412 120.570 0.134 0.000 2.352 410 I HA -0.133 nan 4.170 nan 0.000 0.290 410 I C -0.416 175.759 176.117 0.096 0.000 1.036 410 I CA 0.595 62.002 61.300 0.178 0.000 1.336 410 I CB 0.218 38.290 38.000 0.121 0.000 1.407 410 I HN 0.211 8.838 8.210 0.100 -0.357 0.497 411 D N 7.412 127.871 120.400 0.099 0.000 2.423 411 D HA 0.292 nan 4.640 nan 0.000 0.212 411 D C -1.043 175.281 176.300 0.040 0.000 1.060 411 D CA 1.473 55.512 54.000 0.064 0.000 0.872 411 D CB 2.299 43.149 40.800 0.083 0.000 1.012 411 D HN 0.643 8.985 8.370 0.133 0.108 0.503 412 I N -1.781 118.819 120.570 0.051 0.000 2.569 412 I HA 0.469 nan 4.170 nan 0.000 0.290 412 I C -2.183 173.950 176.117 0.027 0.000 1.088 412 I CA -0.499 60.817 61.300 0.027 0.000 1.047 412 I CB 4.105 42.116 38.000 0.020 0.000 1.237 412 I HN -0.629 7.629 8.210 0.080 0.000 0.421 413 I N 5.166 125.741 120.570 0.007 0.000 2.697 413 I HA 0.193 nan 4.170 nan 0.000 0.279 413 I C -0.603 175.505 176.117 -0.015 0.000 1.171 413 I CA -1.328 59.971 61.300 -0.002 0.000 1.135 413 I CB 0.232 38.225 38.000 -0.012 0.000 1.445 413 I HN 0.930 9.015 8.210 0.000 0.125 0.541 414 S N 6.011 121.704 115.700 -0.012 0.000 2.506 414 S HA -0.065 nan 4.470 nan 0.000 0.291 414 S C 0.696 175.265 174.600 -0.050 0.000 1.230 414 S CA 1.046 59.228 58.200 -0.031 0.000 1.107 414 S CB 0.743 63.931 63.200 -0.020 0.000 0.942 414 S HN -0.251 8.060 8.310 0.002 0.000 0.502 415 T N 1.570 116.065 114.554 -0.098 0.000 3.037 415 T HA 0.302 nan 4.350 nan 0.000 0.252 415 T C 0.065 174.553 174.700 -0.352 0.000 1.073 415 T CA -0.381 61.627 62.100 -0.154 0.000 1.091 415 T CB 0.949 69.728 68.868 -0.148 0.000 0.935 415 T HN 0.254 8.335 8.240 -0.101 0.098 0.488 416 G N 0.522 109.106 108.800 -0.359 0.000 2.703 416 G HA2 0.421 nan 3.960 nan 0.000 0.294 416 G HA3 0.421 nan 3.960 nan 0.000 0.294 416 G C -2.090 172.670 174.900 -0.233 0.000 1.451 416 G CA -0.682 44.078 45.100 -0.565 0.000 0.869 416 G HN -0.545 7.607 8.290 -0.230 0.000 0.516 417 P HA -0.331 nan 4.420 nan 0.000 0.222 417 P C -0.677 176.615 177.300 -0.014 0.000 1.159 417 P CA 1.823 64.924 63.100 0.002 0.000 0.920 417 P CB 0.266 32.023 31.700 0.096 0.000 0.793 418 D N -2.537 117.851 120.400 -0.020 0.000 2.378 418 D HA -0.051 nan 4.640 nan 0.000 0.238 418 D C 1.449 177.731 176.300 -0.029 0.000 1.180 418 D CA -0.730 53.262 54.000 -0.013 0.000 0.895 418 D CB 1.148 41.944 40.800 -0.007 0.000 1.192 418 D HN -0.569 7.992 8.370 -0.029 -0.208 0.438 419 R N 2.389 122.882 120.500 -0.012 0.000 2.073 419 R HA -0.322 nan 4.340 nan 0.000 0.234 419 R C 1.872 178.160 176.300 -0.021 0.000 1.134 419 R CA 3.952 60.046 56.100 -0.011 0.000 0.952 419 R CB 0.036 30.336 30.300 0.001 0.000 0.850 419 R HN 0.472 8.741 8.270 -0.003 0.000 0.433 420 T N -4.379 110.162 114.554 -0.021 0.000 2.929 420 T HA -0.140 nan 4.350 nan 0.000 0.271 420 T C 1.665 176.339 174.700 -0.043 0.000 1.085 420 T CA 2.655 64.741 62.100 -0.024 0.000 1.125 420 T CB -0.739 68.119 68.868 -0.017 0.000 0.874 420 T HN -0.174 8.338 8.240 -0.016 -0.282 0.494 421 E N 2.712 122.870 120.200 -0.069 0.000 2.676 421 E HA 0.040 nan 4.350 nan 0.000 0.318 421 E C -1.678 174.866 176.600 -0.095 0.000 1.514 421 E CA -0.527 55.806 56.400 -0.112 0.000 1.667 421 E CB -1.469 28.110 29.700 -0.202 0.000 1.336 421 E HN -0.467 7.717 8.360 -0.066 0.136 0.492 422 T N 0.845 115.364 114.554 -0.059 0.000 2.916 422 T HA 0.299 nan 4.350 nan 0.000 0.305 422 T C -1.327 173.354 174.700 -0.031 0.000 1.119 422 T CA -0.745 61.329 62.100 -0.042 0.000 1.008 422 T CB 2.658 71.511 68.868 -0.026 0.000 1.129 422 T HN 0.182 8.308 8.240 -0.049 0.085 0.480 423 M N 4.547 124.133 119.600 -0.025 0.000 2.085 423 M HA 0.280 nan 4.480 nan 0.000 0.309 423 M C -1.472 174.821 176.300 -0.011 0.000 0.947 423 M CA -0.820 54.469 55.300 -0.018 0.000 0.918 423 M CB 3.098 35.685 32.600 -0.021 0.000 1.504 423 M HN -0.121 8.054 8.290 -0.024 0.100 0.420 424 I N 4.986 125.550 120.570 -0.010 0.000 2.287 424 I HA 0.064 nan 4.170 nan 0.000 0.290 424 I C -0.307 175.804 176.117 -0.009 0.000 1.069 424 I CA 0.316 61.610 61.300 -0.010 0.000 1.237 424 I CB -0.453 37.540 38.000 -0.012 0.000 1.418 424 I HN 0.567 8.770 8.210 -0.011 0.000 0.481 425 L N 8.223 129.443 121.223 -0.005 0.000 2.168 425 L HA -0.045 nan 4.340 nan 0.000 0.203 425 L C 1.001 177.868 176.870 -0.005 0.000 1.078 425 L CA 2.330 57.169 54.840 -0.001 0.000 0.780 425 L CB 0.535 42.598 42.059 0.006 0.000 0.939 425 L HN 1.192 9.308 8.230 -0.000 0.114 0.451 426 R N -3.212 117.281 120.500 -0.012 0.000 2.453 426 R HA 0.120 nan 4.340 nan 0.000 0.233 426 R C -0.761 175.492 176.300 -0.078 0.000 0.895 426 R CA -0.747 55.338 56.100 -0.025 0.000 1.028 426 R CB 2.180 32.484 30.300 0.007 0.000 1.255 426 R HN -0.572 7.692 8.270 -0.010 0.000 0.571 427 D N 0.122 120.459 120.400 -0.104 0.000 4.733 427 D HA -0.109 nan 4.640 nan 0.000 0.239 427 D C -1.773 174.324 176.300 -0.339 0.000 1.075 427 D CA 0.554 54.463 54.000 -0.153 0.000 1.258 427 D CB 0.261 41.016 40.800 -0.074 0.000 0.761 427 D HN -0.206 8.119 8.370 -0.074 0.000 0.378 428 P HA -0.217 nan 4.420 nan 0.000 0.216 428 P C 0.019 176.797 177.300 -0.871 0.000 1.153 428 P CA 2.307 64.672 63.100 -1.225 0.000 0.858 428 P CB 0.166 31.190 31.700 -1.127 0.000 0.789 429 F N -4.477 115.172 119.950 -0.501 0.000 2.234 429 F HA -0.180 nan 4.527 nan 0.000 0.299 429 F C 1.462 177.025 175.800 -0.395 0.000 1.087 429 F CA 2.761 60.425 58.000 -0.560 0.000 1.340 429 F CB -0.113 38.375 39.000 -0.852 0.000 1.031 429 F HN -0.459 7.789 8.300 -0.343 -0.154 0.500 430 D N -1.810 118.534 120.400 -0.094 0.000 2.333 430 D HA -0.037 nan 4.640 nan 0.000 0.208 430 D C 0.287 176.571 176.300 -0.026 0.000 0.984 430 D CA 0.578 54.566 54.000 -0.020 0.000 0.873 430 D CB 0.368 41.171 40.800 0.005 0.000 0.935 430 D HN -0.674 7.754 8.370 -0.127 -0.134 0.521 431 A N 0.000 122.765 122.820 -0.091 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 431 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 431 A HN 0.000 8.008 8.150 -0.194 0.025 0.486