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 1hon_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 -0.000 0.000 0.244 1 G C 0.000 174.993 174.900 0.155 0.000 0.946 1 G CA 0.000 45.157 45.100 0.095 0.000 0.502 2 N N 0.275 119.137 118.700 0.270 0.000 2.333 2 N HA -0.125 nan 4.740 nan 0.000 0.178 2 N C -0.226 175.530 175.510 0.410 0.000 1.018 2 N CA 2.232 55.541 53.050 0.432 0.000 0.882 2 N CB 1.009 39.725 38.487 0.382 0.000 0.984 2 N HN -0.073 8.595 8.380 0.233 -0.148 0.434 3 N N 0.064 118.940 118.700 0.294 0.000 2.558 3 N HA 0.254 nan 4.740 nan 0.000 0.233 3 N C -2.119 173.527 175.510 0.226 0.000 1.038 3 N CA -0.241 53.008 53.050 0.333 0.000 0.934 3 N CB -0.118 38.549 38.487 0.300 0.000 1.175 3 N HN -0.044 8.910 8.380 0.240 -0.430 0.512 4 V N 5.138 125.157 119.914 0.174 0.000 2.398 4 V HA 0.592 nan 4.120 nan 0.000 0.286 4 V C -1.435 174.772 176.094 0.189 0.000 1.026 4 V CA -0.797 61.499 62.300 -0.006 0.000 0.868 4 V CB 2.271 33.751 31.823 -0.572 0.000 0.982 4 V HN 0.909 9.156 8.190 0.269 0.104 0.443 5 V N 8.286 128.292 119.914 0.153 0.000 2.398 5 V HA 0.645 nan 4.120 nan 0.000 0.286 5 V C -1.301 174.863 176.094 0.117 0.000 1.026 5 V CA -1.030 61.362 62.300 0.155 0.000 0.868 5 V CB 0.893 32.691 31.823 -0.042 0.000 0.982 5 V HN 0.391 8.641 8.190 0.099 0.000 0.443 6 V N 6.474 126.485 119.914 0.161 0.000 2.628 6 V HA 1.015 nan 4.120 nan 0.000 0.306 6 V C -1.720 174.465 176.094 0.152 0.000 1.045 6 V CA -1.764 60.612 62.300 0.127 0.000 0.905 6 V CB 1.046 32.936 31.823 0.113 0.000 0.997 6 V HN 1.044 9.268 8.190 0.233 0.106 0.436 7 L N 0.010 121.299 121.223 0.110 0.000 2.866 7 L HA 0.664 nan 4.340 nan 0.000 0.262 7 L C -1.542 175.369 176.870 0.069 0.000 0.986 7 L CA -0.163 54.739 54.840 0.103 0.000 0.925 7 L CB 2.082 44.219 42.059 0.131 0.000 1.484 7 L HN 0.568 8.853 8.230 0.090 0.000 0.414 8 G N -1.597 107.232 108.800 0.048 0.000 2.403 8 G HA2 0.163 nan 3.960 nan 0.000 0.259 8 G HA3 0.163 nan 3.960 nan 0.000 0.259 8 G C -0.400 174.496 174.900 -0.007 0.000 1.244 8 G CA -0.236 44.875 45.100 0.018 0.000 0.849 8 G HN 0.477 8.798 8.290 0.052 0.000 0.532 9 T N 0.157 114.698 114.554 -0.020 0.000 3.206 9 T HA 0.255 nan 4.350 nan 0.000 0.253 9 T C -0.195 174.396 174.700 -0.182 0.000 1.042 9 T CA -0.385 61.689 62.100 -0.045 0.000 0.931 9 T CB -0.839 68.072 68.868 0.072 0.000 1.029 9 T HN 0.367 8.603 8.240 -0.007 0.000 0.564 10 Q N -0.569 119.078 119.800 -0.255 0.000 2.880 10 Q HA 0.297 nan 4.340 nan 0.000 0.213 10 Q C -0.913 174.704 176.000 -0.638 0.000 1.071 10 Q CA 0.225 55.696 55.803 -0.553 0.000 0.410 10 Q CB 2.651 31.153 28.738 -0.394 0.000 4.879 10 Q HN -0.148 8.281 8.270 -0.168 -0.259 0.281 11 W N -0.991 120.250 121.300 -0.099 0.000 1.903 11 W HA 0.291 nan 4.660 nan 0.000 0.349 11 W C -0.423 176.043 176.519 -0.088 0.000 0.814 11 W CA -0.874 56.405 57.345 -0.110 0.000 2.728 11 W CB 0.142 29.490 29.460 -0.188 0.000 1.621 11 W HN 0.390 8.534 8.180 -0.061 0.000 0.644 12 G N 0.357 109.201 108.800 0.073 0.000 2.829 12 G HA2 -0.366 nan 3.960 nan 0.000 0.628 12 G HA3 -0.366 nan 3.960 nan 0.000 0.628 12 G C -1.441 173.477 174.900 0.031 0.000 1.412 12 G CA -0.277 44.852 45.100 0.050 0.000 0.864 12 G HN -0.195 8.362 8.290 0.011 -0.261 0.544 13 D N -3.827 116.581 120.400 0.014 0.000 3.059 13 D HA -0.400 nan 4.640 nan 0.000 0.220 13 D C 0.460 176.740 176.300 -0.034 0.000 1.169 13 D CA 1.873 55.870 54.000 -0.006 0.000 0.902 13 D CB -0.467 40.331 40.800 -0.002 0.000 1.116 13 D HN 0.416 8.796 8.370 0.017 0.000 0.417 14 E N -1.645 118.536 120.200 -0.032 0.000 2.516 14 E HA -0.154 nan 4.350 nan 0.000 0.199 14 E C 0.391 176.965 176.600 -0.044 0.000 1.069 14 E CA 0.478 56.843 56.400 -0.058 0.000 0.876 14 E CB -0.450 29.223 29.700 -0.046 0.000 0.843 14 E HN 0.119 8.427 8.360 -0.016 0.042 0.530 15 G N -2.033 106.750 108.800 -0.028 0.000 2.325 15 G HA2 -0.260 nan 3.960 nan 0.000 0.248 15 G HA3 -0.260 nan 3.960 nan 0.000 0.248 15 G C 0.254 175.150 174.900 -0.006 0.000 1.108 15 G CA 0.394 45.483 45.100 -0.019 0.000 0.881 15 G HN 0.014 8.220 8.290 -0.025 0.069 0.494 16 K N -1.196 119.203 120.400 -0.001 0.000 2.379 16 K HA 0.085 nan 4.320 nan 0.000 0.194 16 K C 1.128 177.745 176.600 0.029 0.000 1.031 16 K CA -0.065 56.238 56.287 0.026 0.000 1.037 16 K CB -0.328 32.202 32.500 0.050 0.000 0.824 16 K HN 0.065 8.311 8.250 -0.006 0.000 0.516 17 G N 0.868 109.637 108.800 -0.052 0.000 2.505 17 G HA2 -0.334 nan 3.960 nan 0.000 0.220 17 G HA3 -0.334 nan 3.960 nan 0.000 0.220 17 G C 1.177 176.096 174.900 0.033 0.000 1.145 17 G CA 1.910 46.907 45.100 -0.172 0.000 0.761 17 G HN 0.386 8.594 8.290 -0.079 0.035 0.571 18 K N 0.672 121.083 120.400 0.019 0.000 2.103 18 K HA -0.150 nan 4.320 nan 0.000 0.204 18 K C 1.995 178.640 176.600 0.074 0.000 1.052 18 K CA 2.590 58.910 56.287 0.055 0.000 0.945 18 K CB 0.001 32.519 32.500 0.029 0.000 0.722 18 K HN -0.201 8.023 8.250 -0.013 0.019 0.443 19 I N -0.182 120.428 120.570 0.067 0.000 2.163 19 I HA -0.356 nan 4.170 nan 0.000 0.240 19 I C 1.868 178.033 176.117 0.079 0.000 1.081 19 I CA 1.434 62.771 61.300 0.061 0.000 1.353 19 I CB -1.426 36.605 38.000 0.053 0.000 1.054 19 I HN -0.637 7.607 8.210 0.058 0.000 0.407 20 V N 0.881 120.860 119.914 0.108 0.000 2.282 20 V HA -0.563 nan 4.120 nan 0.000 0.249 20 V C 2.280 178.434 176.094 0.101 0.000 1.057 20 V CA 5.111 67.479 62.300 0.113 0.000 1.032 20 V CB -1.182 30.731 31.823 0.150 0.000 0.645 20 V HN -0.122 8.138 8.190 0.117 0.000 0.447 21 D N -0.540 119.940 120.400 0.135 0.000 2.149 21 D HA -0.296 nan 4.640 nan 0.000 0.198 21 D C 2.255 178.596 176.300 0.069 0.000 0.990 21 D CA 3.586 57.642 54.000 0.093 0.000 0.839 21 D CB -0.414 40.464 40.800 0.130 0.000 0.948 21 D HN -0.616 7.875 8.370 0.203 0.000 0.460 22 L N 0.418 121.684 121.223 0.072 0.000 2.005 22 L HA -0.186 nan 4.340 nan 0.000 0.207 22 L C 1.937 178.852 176.870 0.076 0.000 1.072 22 L CA 3.095 57.971 54.840 0.060 0.000 0.744 22 L CB -0.082 42.007 42.059 0.049 0.000 0.895 22 L HN -0.418 7.774 8.230 0.080 0.086 0.433 23 L N -3.155 118.121 121.223 0.089 0.000 2.187 23 L HA -0.437 nan 4.340 nan 0.000 0.213 23 L C 2.453 179.442 176.870 0.198 0.000 1.100 23 L CA 2.903 57.836 54.840 0.155 0.000 0.765 23 L CB -1.263 40.855 42.059 0.098 0.000 0.904 23 L HN 0.317 8.591 8.230 0.074 0.000 0.437 24 T N 1.076 115.699 114.554 0.115 0.000 2.929 24 T HA -0.254 nan 4.350 nan 0.000 0.271 24 T C 2.266 176.990 174.700 0.041 0.000 1.085 24 T CA 3.928 66.072 62.100 0.073 0.000 1.125 24 T CB -0.828 68.058 68.868 0.031 0.000 0.874 24 T HN -0.162 8.019 8.240 0.092 0.114 0.494 25 E N 1.165 121.392 120.200 0.045 0.000 2.204 25 E HA -0.204 nan 4.350 nan 0.000 0.194 25 E C 1.429 178.028 176.600 -0.001 0.000 0.989 25 E CA 2.329 58.740 56.400 0.017 0.000 0.824 25 E CB -0.031 29.683 29.700 0.024 0.000 0.756 25 E HN -0.153 8.089 8.360 0.065 0.157 0.477 26 R N -4.369 116.135 120.500 0.006 0.000 2.397 26 R HA 0.088 nan 4.340 nan 0.000 0.241 26 R C -0.989 175.212 176.300 -0.166 0.000 0.914 26 R CA -0.672 55.389 56.100 -0.065 0.000 1.071 26 R CB 0.812 31.062 30.300 -0.083 0.000 1.116 26 R HN -0.569 7.611 8.270 0.062 0.127 0.524 27 A N -1.472 121.298 122.820 -0.084 0.000 2.327 27 A HA 0.120 nan 4.320 nan 0.000 0.283 27 A C -0.691 176.835 177.584 -0.098 0.000 1.127 27 A CA -0.315 51.696 52.037 -0.043 0.000 0.810 27 A CB 1.119 20.193 19.000 0.124 0.000 1.066 27 A HN -0.813 7.213 8.150 -0.004 0.121 0.492 28 K N 2.663 122.984 120.400 -0.131 0.000 2.276 28 K HA 0.082 nan 4.320 nan 0.000 0.198 28 K C -0.901 175.287 176.600 -0.687 0.000 1.052 28 K CA 1.091 57.141 56.287 -0.395 0.000 0.984 28 K CB 2.163 34.404 32.500 -0.431 0.000 0.836 28 K HN 0.830 8.954 8.250 -0.010 0.120 0.490 29 Y N -4.053 116.237 120.300 -0.018 0.000 2.442 29 Y HA 0.460 nan 4.550 nan 0.000 0.344 29 Y C -1.880 173.976 175.900 -0.073 0.000 0.976 29 Y CA -1.279 56.790 58.100 -0.052 0.000 1.040 29 Y CB 3.534 41.946 38.460 -0.080 0.000 1.228 29 Y HN -0.576 7.714 8.280 0.016 0.000 0.451 30 V N 3.170 123.120 119.914 0.060 0.000 2.407 30 V HA 0.616 nan 4.120 nan 0.000 0.291 30 V C -1.809 174.269 176.094 -0.027 0.000 1.018 30 V CA -0.668 61.633 62.300 0.002 0.000 0.842 30 V CB 1.433 33.262 31.823 0.010 0.000 0.996 30 V HN 0.330 8.568 8.190 0.081 0.000 0.426 31 V N 8.576 128.419 119.914 -0.118 0.000 2.417 31 V HA 0.650 nan 4.120 nan 0.000 0.291 31 V C -1.007 175.177 176.094 0.149 0.000 1.024 31 V CA -1.762 60.505 62.300 -0.055 0.000 0.861 31 V CB 2.029 33.690 31.823 -0.271 0.000 0.985 31 V HN 1.317 9.266 8.190 -0.208 0.117 0.436 32 R N 6.522 127.110 120.500 0.147 0.000 2.254 32 R HA 0.419 nan 4.340 nan 0.000 0.318 32 R C -0.236 176.206 176.300 0.237 0.000 1.031 32 R CA -1.706 54.484 56.100 0.150 0.000 0.905 32 R CB 0.814 31.158 30.300 0.074 0.000 1.050 32 R HN 0.692 9.023 8.270 0.102 0.000 0.456 33 Y N 0.263 120.663 120.300 0.168 0.000 2.527 33 Y HA 0.135 nan 4.550 nan 0.000 0.247 33 Y C -2.008 173.978 175.900 0.143 0.000 1.138 33 Y CA -2.034 56.172 58.100 0.175 0.000 1.228 33 Y CB 1.394 39.992 38.460 0.230 0.000 1.252 33 Y HN 0.098 8.344 8.280 -0.056 0.000 0.531 34 Q N -4.547 115.148 119.800 -0.174 0.000 2.738 34 Q HA 0.139 nan 4.340 nan 0.000 0.301 34 Q C -0.691 175.296 176.000 -0.021 0.000 0.901 34 Q CA -0.695 55.075 55.803 -0.055 0.000 0.756 34 Q CB 1.812 30.483 28.738 -0.112 0.000 1.463 34 Q HN -0.731 7.389 8.270 -0.250 0.000 0.432 35 G N -0.078 108.784 108.800 0.104 0.000 2.601 35 G HA2 -0.486 nan 3.960 nan 0.000 0.252 35 G HA3 -0.486 nan 3.960 nan 0.000 0.252 35 G C -1.804 173.157 174.900 0.101 0.000 1.294 35 G CA 0.166 45.332 45.100 0.109 0.000 0.912 35 G HN -0.233 8.171 8.290 0.190 0.000 0.574 36 G N -0.807 108.028 108.800 0.060 0.000 3.198 36 G HA2 0.359 nan 3.960 nan 0.000 0.166 36 G HA3 0.359 nan 3.960 nan 0.000 0.166 36 G C -2.046 172.926 174.900 0.119 0.000 1.134 36 G CA 0.356 45.504 45.100 0.080 0.000 0.941 36 G HN -0.496 8.033 8.290 0.038 -0.216 0.639 37 H N -0.209 118.863 119.070 0.002 0.000 2.680 37 H HA 0.255 nan 4.556 nan 0.000 0.224 37 H C -1.231 174.091 175.328 -0.010 0.000 1.866 37 H CA -1.718 54.345 56.048 0.025 0.000 1.302 37 H CB -1.885 27.873 29.762 -0.008 0.000 1.709 37 H HN 0.245 8.647 8.280 0.202 0.000 0.537 38 N N 0.086 118.789 118.700 0.005 0.000 2.330 38 N HA -0.039 nan 4.740 nan 0.000 0.249 38 N C -1.109 174.461 175.510 0.101 0.000 1.413 38 N CA -0.315 52.726 53.050 -0.015 0.000 0.817 38 N CB 0.310 38.725 38.487 -0.119 0.000 1.362 38 N HN -0.446 7.897 8.380 0.068 0.078 0.499 39 A N 0.258 123.176 122.820 0.163 0.000 2.965 39 A HA 0.153 nan 4.320 nan 0.000 0.304 39 A C 0.100 177.768 177.584 0.139 0.000 1.214 39 A CA -0.270 51.840 52.037 0.122 0.000 0.977 39 A CB 0.092 19.142 19.000 0.083 0.000 1.127 39 A HN -0.700 7.576 8.150 0.210 0.000 0.572 40 G N -0.593 108.329 108.800 0.202 0.000 2.138 40 G HA2 -0.237 nan 3.960 nan 0.000 0.256 40 G HA3 -0.237 nan 3.960 nan 0.000 0.256 40 G C -0.406 174.494 174.900 -0.001 0.000 1.141 40 G CA 0.427 45.526 45.100 -0.000 0.000 0.967 40 G HN -0.366 8.030 8.290 0.307 0.078 0.435 41 H N 7.472 126.462 119.070 -0.133 0.000 2.866 41 H HA 0.227 nan 4.556 nan 0.000 0.287 41 H C -1.208 174.068 175.328 -0.087 0.000 1.106 41 H CA -1.282 54.725 56.048 -0.069 0.000 1.396 41 H CB 1.581 31.321 29.762 -0.036 0.000 1.469 41 H HN 0.504 8.751 8.280 -0.054 0.000 0.500 42 T N 7.253 121.762 114.554 -0.075 0.000 2.899 42 T HA 0.292 nan 4.350 nan 0.000 0.295 42 T C -1.423 173.310 174.700 0.056 0.000 1.033 42 T CA 0.321 62.413 62.100 -0.014 0.000 1.084 42 T CB 0.397 69.242 68.868 -0.039 0.000 0.979 42 T HN 0.400 8.536 8.240 -0.174 0.000 0.532 43 L N 1.078 122.347 121.223 0.076 0.000 2.700 43 L HA 0.344 nan 4.340 nan 0.000 0.255 43 L C -2.086 174.817 176.870 0.056 0.000 0.933 43 L CA -0.758 54.139 54.840 0.094 0.000 0.920 43 L CB 1.526 43.694 42.059 0.182 0.000 1.472 43 L HN -0.005 8.256 8.230 0.052 0.000 0.426 44 V N -2.761 117.181 119.914 0.047 0.000 2.811 44 V HA 0.433 nan 4.120 nan 0.000 0.302 44 V C -1.148 174.964 176.094 0.030 0.000 1.063 44 V CA 0.276 62.597 62.300 0.034 0.000 1.088 44 V CB 0.772 32.614 31.823 0.031 0.000 0.982 44 V HN 0.046 8.267 8.190 0.052 0.000 0.485 45 I N 3.634 124.217 120.570 0.023 0.000 3.694 45 I HA 0.087 nan 4.170 nan 0.000 0.259 45 I C 0.136 176.261 176.117 0.013 0.000 1.070 45 I CA 0.864 62.175 61.300 0.017 0.000 1.833 45 I CB 1.917 39.925 38.000 0.013 0.000 1.648 45 I HN 0.498 8.721 8.210 0.021 0.000 0.431 46 N N -0.374 118.333 118.700 0.012 0.000 2.610 46 N HA 0.112 nan 4.740 nan 0.000 0.309 46 N C 0.131 175.647 175.510 0.011 0.000 1.536 46 N CA -0.127 52.929 53.050 0.010 0.000 0.954 46 N CB 0.805 39.296 38.487 0.007 0.000 1.310 46 N HN 0.073 8.460 8.380 0.012 0.000 0.502 47 G N -0.868 107.940 108.800 0.013 0.000 2.320 47 G HA2 -0.315 nan 3.960 nan 0.000 0.242 47 G HA3 -0.315 nan 3.960 nan 0.000 0.242 47 G C -0.948 173.961 174.900 0.015 0.000 1.033 47 G CA -0.157 44.951 45.100 0.014 0.000 0.620 47 G HN -0.048 8.199 8.290 0.015 0.052 0.517 48 E N 1.331 121.539 120.200 0.014 0.000 2.354 48 E HA 0.003 nan 4.350 nan 0.000 0.269 48 E C -1.029 175.581 176.600 0.018 0.000 1.036 48 E CA -0.691 55.718 56.400 0.015 0.000 0.876 48 E CB 0.881 30.589 29.700 0.014 0.000 1.009 48 E HN -0.200 8.046 8.360 0.013 0.122 0.416 49 K N 6.140 126.552 120.400 0.020 0.000 2.319 49 K HA 0.123 nan 4.320 nan 0.000 0.237 49 K C -1.333 175.280 176.600 0.022 0.000 1.113 49 K CA -1.010 55.291 56.287 0.022 0.000 1.072 49 K CB -0.165 32.348 32.500 0.023 0.000 1.734 49 K HN 0.191 8.453 8.250 0.019 0.000 0.429 50 T N 1.973 116.540 114.554 0.021 0.000 2.934 50 T HA 0.256 nan 4.350 nan 0.000 0.283 50 T C -1.944 172.762 174.700 0.009 0.000 1.005 50 T CA -1.295 60.816 62.100 0.019 0.000 1.041 50 T CB 2.045 70.923 68.868 0.017 0.000 1.042 50 T HN -0.407 7.846 8.240 0.022 0.000 0.505 51 V N 3.619 123.526 119.914 -0.011 0.000 2.604 51 V HA 0.633 nan 4.120 nan 0.000 0.305 51 V C -0.880 175.128 176.094 -0.143 0.000 1.043 51 V CA -1.126 61.122 62.300 -0.085 0.000 0.888 51 V CB 1.501 33.237 31.823 -0.144 0.000 0.995 51 V HN 0.397 8.592 8.190 0.008 0.000 0.429 52 L N 2.594 123.719 121.223 -0.162 0.000 2.329 52 L HA 0.505 nan 4.340 nan 0.000 0.279 52 L C -0.496 176.239 176.870 -0.226 0.000 1.014 52 L CA -0.941 53.829 54.840 -0.117 0.000 0.814 52 L CB 1.894 43.929 42.059 -0.041 0.000 1.257 52 L HN -0.046 8.122 8.230 -0.102 0.000 0.424 53 H N 1.010 120.122 119.070 0.070 0.000 3.170 53 H HA 0.274 nan 4.556 nan 0.000 0.264 53 H C 0.049 175.425 175.328 0.080 0.000 1.113 53 H CA 1.674 57.770 56.048 0.080 0.000 1.194 53 H CB 1.776 31.596 29.762 0.096 0.000 1.553 53 H HN 1.271 10.288 8.280 0.130 -0.659 0.538 54 L N -1.180 120.137 121.223 0.156 0.000 2.664 54 L HA 0.214 nan 4.340 nan 0.000 0.198 54 L C -1.244 175.659 176.870 0.054 0.000 1.057 54 L CA 0.621 55.525 54.840 0.108 0.000 0.871 54 L CB 2.591 44.705 42.059 0.091 0.000 1.364 54 L HN -0.774 7.820 8.230 0.117 -0.295 0.483 55 I N 0.184 120.774 120.570 0.033 0.000 2.588 55 I HA -0.123 nan 4.170 nan 0.000 0.283 55 I C -1.733 174.376 176.117 -0.013 0.000 1.119 55 I CA -0.622 60.682 61.300 0.007 0.000 1.419 55 I CB -0.635 37.363 38.000 -0.003 0.000 1.394 55 I HN -0.693 7.831 8.210 0.039 -0.291 0.562 56 P HA 0.092 nan 4.420 nan 0.000 0.272 56 P C -0.290 176.951 177.300 -0.098 0.000 1.223 56 P CA -0.393 62.680 63.100 -0.044 0.000 0.784 56 P CB 0.749 32.440 31.700 -0.015 0.000 0.923 57 S N 2.851 118.436 115.700 -0.192 0.000 2.419 57 S HA -0.350 nan 4.470 nan 0.000 0.233 57 S C 1.964 176.479 174.600 -0.142 0.000 1.016 57 S CA 3.220 61.255 58.200 -0.276 0.000 0.974 57 S CB -0.331 62.533 63.200 -0.559 0.000 0.786 57 S HN 0.586 8.775 8.310 -0.201 0.000 0.492 58 G N -0.247 108.498 108.800 -0.092 0.000 2.653 58 G HA2 -0.147 nan 3.960 nan 0.000 0.212 58 G HA3 -0.147 nan 3.960 nan 0.000 0.212 58 G C 1.077 175.947 174.900 -0.050 0.000 1.138 58 G CA 0.682 45.748 45.100 -0.057 0.000 0.782 58 G HN 0.330 8.544 8.290 -0.086 0.025 0.535 59 I N 1.840 122.379 120.570 -0.051 0.000 2.614 59 I HA -0.313 nan 4.170 nan 0.000 0.258 59 I C 0.207 176.303 176.117 -0.034 0.000 1.189 59 I CA 1.022 62.300 61.300 -0.037 0.000 1.462 59 I CB 0.245 38.226 38.000 -0.032 0.000 1.092 59 I HN -0.588 7.506 8.210 -0.064 0.078 0.442 60 L N -1.501 119.699 121.223 -0.037 0.000 2.131 60 L HA -0.193 nan 4.340 nan 0.000 0.206 60 L C 0.589 177.441 176.870 -0.029 0.000 1.087 60 L CA 1.546 56.369 54.840 -0.028 0.000 0.767 60 L CB -0.414 41.630 42.059 -0.024 0.000 0.917 60 L HN -0.919 7.253 8.230 -0.047 0.030 0.441 61 R N -0.704 119.776 120.500 -0.035 0.000 2.502 61 R HA -0.191 nan 4.340 nan 0.000 0.292 61 R C 1.447 177.720 176.300 -0.044 0.000 0.998 61 R CA 0.079 56.156 56.100 -0.038 0.000 1.056 61 R CB 0.057 30.331 30.300 -0.043 0.000 0.939 61 R HN -0.779 7.371 8.270 -0.039 0.097 0.411 62 E N 5.006 125.181 120.200 -0.042 0.000 2.035 62 E HA -0.343 nan 4.350 nan 0.000 0.204 62 E C 1.059 177.625 176.600 -0.057 0.000 1.025 62 E CA 3.024 59.398 56.400 -0.043 0.000 0.835 62 E CB -0.047 29.630 29.700 -0.039 0.000 0.764 62 E HN 0.577 8.915 8.360 -0.037 0.000 0.457 63 N N -3.438 115.218 118.700 -0.073 0.000 2.451 63 N HA 0.018 nan 4.740 nan 0.000 0.264 63 N C -1.377 174.047 175.510 -0.144 0.000 1.167 63 N CA -0.344 52.646 53.050 -0.100 0.000 0.898 63 N CB -0.065 38.361 38.487 -0.101 0.000 1.176 63 N HN -0.193 8.145 8.380 -0.070 0.000 0.507 64 V N 0.150 119.987 119.914 -0.127 0.000 2.555 64 V HA 0.260 nan 4.120 nan 0.000 0.302 64 V C -0.401 175.613 176.094 -0.132 0.000 1.038 64 V CA -1.145 61.057 62.300 -0.163 0.000 0.887 64 V CB 1.862 33.621 31.823 -0.107 0.000 0.991 64 V HN -0.724 7.346 8.190 -0.093 0.064 0.434 65 T N 9.649 124.099 114.554 -0.174 0.000 2.767 65 T HA 0.326 nan 4.350 nan 0.000 0.288 65 T C -0.952 173.778 174.700 0.051 0.000 0.963 65 T CA -0.999 61.090 62.100 -0.020 0.000 1.019 65 T CB 1.033 69.975 68.868 0.123 0.000 0.923 65 T HN 0.806 8.835 8.240 -0.351 0.000 0.468 66 S N 6.585 122.309 115.700 0.039 0.000 2.457 66 S HA 0.787 nan 4.470 nan 0.000 0.289 66 S C -1.646 172.986 174.600 0.054 0.000 1.163 66 S CA -0.145 58.077 58.200 0.037 0.000 1.078 66 S CB 0.830 64.035 63.200 0.008 0.000 0.987 66 S HN 0.594 8.919 8.310 0.025 0.000 0.482 67 I N 4.691 125.295 120.570 0.056 0.000 2.498 67 I HA 0.528 nan 4.170 nan 0.000 0.290 67 I C -1.613 174.535 176.117 0.053 0.000 1.032 67 I CA -0.938 60.393 61.300 0.052 0.000 1.073 67 I CB 3.455 41.481 38.000 0.043 0.000 1.251 67 I HN 0.764 9.003 8.210 0.049 0.000 0.426 68 I N 6.513 127.113 120.570 0.050 0.000 2.291 68 I HA 0.338 nan 4.170 nan 0.000 0.290 68 I C -0.379 175.783 176.117 0.074 0.000 1.050 68 I CA -0.896 60.440 61.300 0.059 0.000 1.245 68 I CB 0.301 38.324 38.000 0.038 0.000 1.405 68 I HN 0.178 8.413 8.210 0.042 0.000 0.478 69 G N 6.066 114.935 108.800 0.114 0.000 2.634 69 G HA2 -0.052 nan 3.960 nan 0.000 0.255 69 G HA3 -0.052 nan 3.960 nan 0.000 0.255 69 G C 0.657 175.626 174.900 0.115 0.000 1.205 69 G CA -1.070 44.111 45.100 0.135 0.000 0.884 69 G HN 0.933 9.200 8.290 0.138 0.106 0.549 70 N N 0.874 119.642 118.700 0.113 0.000 2.364 70 N HA -0.269 nan 4.740 nan 0.000 0.183 70 N C 1.704 177.284 175.510 0.118 0.000 1.022 70 N CA 2.548 55.657 53.050 0.098 0.000 0.883 70 N CB -0.481 38.063 38.487 0.095 0.000 0.965 70 N HN 0.051 8.502 8.380 0.120 0.000 0.438 71 G N -0.569 108.326 108.800 0.158 0.000 2.598 71 G HA2 -0.100 nan 3.960 nan 0.000 0.215 71 G HA3 -0.100 nan 3.960 nan 0.000 0.215 71 G C -1.221 173.794 174.900 0.192 0.000 1.131 71 G CA 0.495 45.714 45.100 0.200 0.000 0.785 71 G HN -0.099 8.175 8.290 0.172 0.119 0.539 72 V N 1.347 121.331 119.914 0.117 0.000 2.546 72 V HA 0.306 nan 4.120 nan 0.000 0.284 72 V C 0.202 176.280 176.094 -0.027 0.000 1.050 72 V CA -0.229 62.110 62.300 0.065 0.000 0.981 72 V CB 0.298 32.153 31.823 0.054 0.000 0.990 72 V HN -0.512 7.585 8.190 0.109 0.159 0.474 73 V N 3.384 123.223 119.914 -0.125 0.000 2.408 73 V HA 0.255 nan 4.120 nan 0.000 0.267 73 V C -0.902 175.133 176.094 -0.099 0.000 1.047 73 V CA -1.211 60.945 62.300 -0.241 0.000 0.937 73 V CB -0.692 30.831 31.823 -0.499 0.000 0.999 73 V HN 0.099 8.248 8.190 -0.069 0.000 0.472 74 L N 7.336 128.506 121.223 -0.088 0.000 2.289 74 L HA 0.455 nan 4.340 nan 0.000 0.285 74 L C -1.372 175.441 176.870 -0.096 0.000 1.049 74 L CA -0.921 53.879 54.840 -0.067 0.000 0.804 74 L CB 3.405 45.429 42.059 -0.059 0.000 1.195 74 L HN 0.948 9.117 8.230 -0.102 0.000 0.428 75 S N 5.746 121.357 115.700 -0.148 0.000 2.577 75 S HA 0.451 nan 4.470 nan 0.000 0.294 75 S C -1.336 173.157 174.600 -0.178 0.000 1.161 75 S CA -4.333 53.741 58.200 -0.210 0.000 1.143 75 S CB 0.170 63.088 63.200 -0.469 0.000 0.991 75 S HN 0.331 8.549 8.310 -0.152 0.000 0.475 76 P HA -0.316 nan 4.420 nan 0.000 0.216 76 P C 0.197 177.434 177.300 -0.105 0.000 1.157 76 P CA 2.379 65.416 63.100 -0.104 0.000 0.880 76 P CB -0.054 31.591 31.700 -0.091 0.000 0.791 77 A N -3.860 118.894 122.820 -0.110 0.000 1.884 77 A HA -0.336 nan 4.320 nan 0.000 0.219 77 A C 1.805 179.321 177.584 -0.114 0.000 1.197 77 A CA 2.886 54.863 52.037 -0.099 0.000 0.637 77 A CB -0.916 18.026 19.000 -0.098 0.000 0.827 77 A HN 0.221 8.304 8.150 -0.111 0.000 0.450 78 A N -4.243 118.464 122.820 -0.189 0.000 2.168 78 A HA -0.059 nan 4.320 nan 0.000 0.215 78 A C 1.746 179.267 177.584 -0.106 0.000 1.152 78 A CA 2.084 54.008 52.037 -0.189 0.000 0.716 78 A CB -0.563 18.187 19.000 -0.417 0.000 0.794 78 A HN -0.215 7.708 8.150 -0.255 0.074 0.465 79 L N -0.248 120.915 121.223 -0.100 0.000 2.084 79 L HA -0.107 nan 4.340 nan 0.000 0.202 79 L C 1.529 178.374 176.870 -0.042 0.000 1.074 79 L CA 3.113 57.917 54.840 -0.060 0.000 0.757 79 L CB -0.260 41.759 42.059 -0.067 0.000 0.918 79 L HN -0.425 7.561 8.230 -0.125 0.169 0.444 80 M N -1.854 117.717 119.600 -0.048 0.000 2.106 80 M HA -0.454 nan 4.480 nan 0.000 0.259 80 M C 2.399 178.685 176.300 -0.023 0.000 1.068 80 M CA 2.228 57.507 55.300 -0.035 0.000 1.100 80 M CB -1.963 30.614 32.600 -0.038 0.000 1.351 80 M HN 0.066 8.319 8.290 -0.061 0.000 0.404 81 K N -0.369 120.018 120.400 -0.022 0.000 1.987 81 K HA -0.431 nan 4.320 nan 0.000 0.216 81 K C 2.079 178.682 176.600 0.004 0.000 1.051 81 K CA 3.768 60.051 56.287 -0.007 0.000 0.942 81 K CB -0.326 32.173 32.500 -0.002 0.000 0.722 81 K HN -0.543 7.687 8.250 -0.034 0.000 0.444 82 E N -1.335 118.871 120.200 0.010 0.000 2.049 82 E HA -0.434 nan 4.350 nan 0.000 0.198 82 E C 2.291 178.894 176.600 0.004 0.000 1.007 82 E CA 2.847 59.257 56.400 0.016 0.000 0.809 82 E CB -0.207 29.507 29.700 0.024 0.000 0.749 82 E HN -0.760 7.603 8.360 0.006 0.000 0.450 83 M N 0.295 119.892 119.600 -0.004 0.000 2.255 83 M HA -0.489 nan 4.480 nan 0.000 0.260 83 M C 1.734 178.030 176.300 -0.006 0.000 1.069 83 M CA 4.049 59.344 55.300 -0.008 0.000 1.089 83 M CB 0.152 32.742 32.600 -0.015 0.000 1.269 83 M HN 0.079 8.364 8.290 -0.008 0.000 0.434 84 K N -1.375 119.021 120.400 -0.007 0.000 2.144 84 K HA -0.430 nan 4.320 nan 0.000 0.209 84 K C 2.635 179.235 176.600 -0.001 0.000 1.047 84 K CA 2.836 59.120 56.287 -0.005 0.000 0.927 84 K CB -0.642 31.855 32.500 -0.006 0.000 0.716 84 K HN 0.356 8.479 8.250 -0.010 0.121 0.454 85 E N -0.891 119.311 120.200 0.003 0.000 2.077 85 E HA -0.284 nan 4.350 nan 0.000 0.193 85 E C 2.814 179.416 176.600 0.004 0.000 0.989 85 E CA 3.135 59.538 56.400 0.006 0.000 0.800 85 E CB 0.028 29.735 29.700 0.013 0.000 0.746 85 E HN 0.021 8.196 8.360 0.003 0.187 0.452 86 L N -1.510 119.714 121.223 0.001 0.000 2.162 86 L HA -0.196 nan 4.340 nan 0.000 0.205 86 L C 2.171 179.039 176.870 -0.003 0.000 1.086 86 L CA 2.692 57.531 54.840 -0.002 0.000 0.778 86 L CB -0.099 41.958 42.059 -0.005 0.000 0.928 86 L HN 0.180 8.332 8.230 0.001 0.079 0.446 87 E N -0.591 119.606 120.200 -0.004 0.000 2.265 87 E HA -0.348 nan 4.350 nan 0.000 0.196 87 E C 2.854 179.452 176.600 -0.004 0.000 0.996 87 E CA 3.108 59.505 56.400 -0.005 0.000 0.832 87 E CB -0.375 29.321 29.700 -0.007 0.000 0.756 87 E HN 0.537 8.779 8.360 -0.004 0.116 0.491 88 D N 0.468 120.867 120.400 -0.002 0.000 2.120 88 D HA -0.089 nan 4.640 nan 0.000 0.202 88 D C 1.551 177.851 176.300 0.000 0.000 0.972 88 D CA 2.405 56.405 54.000 -0.001 0.000 0.837 88 D CB -0.167 40.633 40.800 0.001 0.000 0.989 88 D HN -0.653 7.693 8.370 -0.002 0.024 0.469 89 R N -2.201 118.299 120.500 0.001 0.000 2.395 89 R HA -0.016 nan 4.340 nan 0.000 0.203 89 R C 0.404 176.704 176.300 -0.001 0.000 1.076 89 R CA -1.029 55.072 56.100 0.001 0.000 1.059 89 R CB -1.024 29.277 30.300 0.002 0.000 0.860 89 R HN -0.555 7.651 8.270 0.001 0.064 0.476 90 G N -1.958 106.841 108.800 -0.002 0.000 2.132 90 G HA2 -0.409 nan 3.960 nan 0.000 0.234 90 G HA3 -0.409 nan 3.960 nan 0.000 0.234 90 G C -0.479 174.417 174.900 -0.005 0.000 0.989 90 G CA 0.085 45.183 45.100 -0.003 0.000 0.676 90 G HN -0.549 7.534 8.290 -0.002 0.206 0.522 91 I N 0.941 121.507 120.570 -0.006 0.000 2.377 91 I HA 0.340 nan 4.170 nan 0.000 0.293 91 I C -1.492 174.619 176.117 -0.009 0.000 0.987 91 I CA -3.271 58.024 61.300 -0.009 0.000 1.185 91 I CB 1.832 39.826 38.000 -0.010 0.000 1.341 91 I HN -0.515 7.692 8.210 -0.005 0.000 0.455 92 P HA 0.188 nan 4.420 nan 0.000 0.218 92 P C 0.287 177.581 177.300 -0.010 0.000 1.793 92 P CA -0.560 62.534 63.100 -0.010 0.000 0.941 92 P CB -1.949 29.745 31.700 -0.010 0.000 1.919 93 V N 3.613 123.521 119.914 -0.010 0.000 2.250 93 V HA -0.575 nan 4.120 nan 0.000 0.250 93 V C 1.807 177.896 176.094 -0.008 0.000 1.060 93 V CA 4.499 66.793 62.300 -0.010 0.000 1.030 93 V CB -0.770 31.047 31.823 -0.010 0.000 0.643 93 V HN -0.008 8.105 8.190 -0.010 0.072 0.445 94 R N -1.728 118.767 120.500 -0.008 0.000 2.226 94 R HA -0.340 nan 4.340 nan 0.000 0.246 94 R C 1.859 178.158 176.300 -0.002 0.000 1.161 94 R CA 2.681 58.777 56.100 -0.006 0.000 0.997 94 R CB -0.373 29.923 30.300 -0.007 0.000 0.870 94 R HN 0.072 8.336 8.270 -0.009 0.000 0.465 95 E N -3.666 116.532 120.200 -0.003 0.000 2.415 95 E HA -0.022 nan 4.350 nan 0.000 0.197 95 E C 0.969 177.569 176.600 -0.000 0.000 1.007 95 E CA 0.908 57.307 56.400 -0.001 0.000 0.890 95 E CB 0.580 30.278 29.700 -0.004 0.000 0.891 95 E HN 0.203 8.391 8.360 -0.006 0.168 0.496 96 R N -3.070 117.428 120.500 -0.004 0.000 2.334 96 R HA 0.186 nan 4.340 nan 0.000 0.212 96 R C -1.231 175.073 176.300 0.006 0.000 0.897 96 R CA 0.077 56.174 56.100 -0.005 0.000 1.056 96 R CB 1.767 32.058 30.300 -0.016 0.000 1.046 96 R HN -0.092 8.051 8.270 -0.005 0.123 0.513 97 L N -0.557 120.671 121.223 0.008 0.000 2.334 97 L HA 0.655 nan 4.340 nan 0.000 0.273 97 L C -2.052 174.832 176.870 0.022 0.000 1.013 97 L CA -0.619 54.230 54.840 0.015 0.000 0.816 97 L CB 2.618 44.681 42.059 0.006 0.000 1.278 97 L HN -0.636 7.596 8.230 0.004 0.000 0.431 98 L N 1.722 122.964 121.223 0.031 0.000 2.376 98 L HA 0.843 nan 4.340 nan 0.000 0.258 98 L C -2.268 174.619 176.870 0.028 0.000 1.013 98 L CA -1.513 53.347 54.840 0.034 0.000 0.822 98 L CB 4.498 46.587 42.059 0.050 0.000 1.388 98 L HN 0.476 8.728 8.230 0.036 0.000 0.413 99 L N -5.168 116.070 121.223 0.025 0.000 2.582 99 L HA 0.702 nan 4.340 nan 0.000 0.257 99 L C -1.990 174.897 176.870 0.028 0.000 0.974 99 L CA -0.926 53.928 54.840 0.022 0.000 0.851 99 L CB 3.082 45.144 42.059 0.004 0.000 1.424 99 L HN 0.468 8.623 8.230 0.026 0.091 0.412 100 S N -0.789 114.933 115.700 0.036 0.000 2.564 100 S HA 0.033 nan 4.470 nan 0.000 0.278 100 S C 1.303 175.924 174.600 0.036 0.000 1.333 100 S CA 0.022 58.250 58.200 0.046 0.000 1.048 100 S CB 0.996 64.232 63.200 0.059 0.000 0.900 100 S HN -0.062 8.272 8.310 0.040 0.000 0.505 101 E N 6.773 127.006 120.200 0.055 0.000 2.427 101 E HA -0.089 nan 4.350 nan 0.000 0.196 101 E C 0.781 177.411 176.600 0.050 0.000 1.028 101 E CA 2.062 58.493 56.400 0.051 0.000 0.864 101 E CB -0.252 29.525 29.700 0.128 0.000 0.813 101 E HN 0.828 9.232 8.360 0.073 0.000 0.514 102 A N -1.071 121.784 122.820 0.058 0.000 2.278 102 A HA 0.107 nan 4.320 nan 0.000 0.212 102 A C -0.631 176.982 177.584 0.048 0.000 1.213 102 A CA -0.508 51.565 52.037 0.060 0.000 0.840 102 A CB -0.266 18.775 19.000 0.068 0.000 0.866 102 A HN -0.501 7.640 8.150 0.061 0.046 0.489 103 C N 1.149 120.467 119.300 0.030 0.000 2.627 103 C HA 0.056 nan 4.460 nan 0.000 0.404 103 C C -1.847 173.139 174.990 -0.007 0.000 1.340 103 C CA -1.416 57.608 59.018 0.010 0.000 1.758 103 C CB -1.724 26.014 27.740 -0.004 0.000 2.501 103 C HN -0.671 7.498 8.230 0.024 0.075 0.588 104 P HA 0.072 nan 4.420 nan 0.000 0.269 104 P C -1.720 175.546 177.300 -0.056 0.000 1.209 104 P CA 0.418 63.493 63.100 -0.041 0.000 0.776 104 P CB 0.348 31.976 31.700 -0.120 0.000 0.876 105 L N 1.701 122.927 121.223 0.006 0.000 2.312 105 L HA 0.527 nan 4.340 nan 0.000 0.281 105 L C -0.834 176.041 176.870 0.009 0.000 1.070 105 L CA -0.768 54.079 54.840 0.011 0.000 0.805 105 L CB 1.445 43.550 42.059 0.077 0.000 1.174 105 L HN -0.104 8.162 8.230 0.060 0.000 0.434 106 I N 1.646 122.195 120.570 -0.036 0.000 2.312 106 I HA 0.143 nan 4.170 nan 0.000 0.290 106 I C -1.392 174.717 176.117 -0.012 0.000 1.008 106 I CA -0.370 60.922 61.300 -0.014 0.000 1.226 106 I CB 0.015 37.978 38.000 -0.061 0.000 1.371 106 I HN 0.790 8.849 8.210 -0.060 0.114 0.468 107 L N 3.054 124.233 121.223 -0.074 0.000 2.271 107 L HA 0.260 nan 4.340 nan 0.000 0.265 107 L C 0.668 177.295 176.870 -0.405 0.000 1.013 107 L CA -1.949 52.703 54.840 -0.313 0.000 0.820 107 L CB 2.246 44.046 42.059 -0.432 0.000 1.352 107 L HN -0.215 8.114 8.230 0.165 0.000 0.443 108 D N 0.775 121.031 120.400 -0.240 0.000 2.154 108 D HA -0.455 nan 4.640 nan 0.000 0.190 108 D C 1.730 177.962 176.300 -0.113 0.000 1.003 108 D CA 4.828 58.760 54.000 -0.113 0.000 0.849 108 D CB -0.312 40.482 40.800 -0.010 0.000 0.942 108 D HN 0.658 8.931 8.370 -0.162 0.000 0.446 109 Y N -3.531 116.724 120.300 -0.074 0.000 2.207 109 Y HA -0.394 nan 4.550 nan 0.000 0.287 109 Y C 1.810 177.608 175.900 -0.169 0.000 1.156 109 Y CA 2.451 60.478 58.100 -0.122 0.000 1.182 109 Y CB -1.372 37.013 38.460 -0.125 0.000 0.979 109 Y HN -0.058 8.145 8.280 -0.127 0.000 0.521 110 H N -0.926 117.956 119.070 -0.312 0.000 2.319 110 H HA -0.317 nan 4.556 nan 0.000 0.297 110 H C 2.795 178.057 175.328 -0.109 0.000 1.097 110 H CA 4.173 60.107 56.048 -0.190 0.000 1.285 110 H CB -1.429 28.186 29.762 -0.244 0.000 1.368 110 H HN -0.039 7.533 8.280 -1.001 0.107 0.495 111 V N -0.072 119.846 119.914 0.008 0.000 2.358 111 V HA -0.339 nan 4.120 nan 0.000 0.246 111 V C 1.592 177.672 176.094 -0.023 0.000 1.047 111 V CA 3.393 65.692 62.300 -0.002 0.000 1.035 111 V CB -0.800 31.020 31.823 -0.006 0.000 0.658 111 V HN -0.197 7.971 8.190 -0.037 0.000 0.452 112 A N 0.556 123.363 122.820 -0.021 0.000 1.865 112 A HA -0.290 nan 4.320 nan 0.000 0.217 112 A C 1.753 179.286 177.584 -0.085 0.000 1.191 112 A CA 3.611 55.629 52.037 -0.032 0.000 0.623 112 A CB -0.750 18.257 19.000 0.012 0.000 0.826 112 A HN 0.494 8.471 8.150 -0.018 0.162 0.444 113 L N -3.496 117.687 121.223 -0.067 0.000 2.191 113 L HA -0.300 nan 4.340 nan 0.000 0.212 113 L C 2.587 179.386 176.870 -0.118 0.000 1.103 113 L CA 2.138 56.910 54.840 -0.113 0.000 0.769 113 L CB -1.662 40.370 42.059 -0.045 0.000 0.908 113 L HN 0.719 8.813 8.230 -0.024 0.122 0.438 114 D N -0.226 120.138 120.400 -0.060 0.000 2.110 114 D HA -0.179 nan 4.640 nan 0.000 0.202 114 D C 2.751 179.006 176.300 -0.075 0.000 0.975 114 D CA 2.847 56.820 54.000 -0.045 0.000 0.839 114 D CB 0.234 41.022 40.800 -0.020 0.000 0.996 114 D HN 0.037 8.259 8.370 -0.034 0.128 0.464 115 N N 0.344 118.998 118.700 -0.077 0.000 2.005 115 N HA -0.407 nan 4.740 nan 0.000 0.199 115 N C 2.024 177.465 175.510 -0.115 0.000 1.054 115 N CA 3.117 56.121 53.050 -0.076 0.000 0.864 115 N CB -0.273 38.175 38.487 -0.063 0.000 1.063 115 N HN 0.210 8.445 8.380 -0.065 0.106 0.428 116 A N 0.244 122.944 122.820 -0.201 0.000 1.929 116 A HA -0.420 nan 4.320 nan 0.000 0.221 116 A C 2.052 179.498 177.584 -0.230 0.000 1.211 116 A CA 3.254 55.109 52.037 -0.303 0.000 0.657 116 A CB -0.757 17.829 19.000 -0.690 0.000 0.827 116 A HN -0.149 7.878 8.150 -0.206 0.000 0.462 117 R N -3.541 116.823 120.500 -0.226 0.000 2.261 117 R HA -0.336 nan 4.340 nan 0.000 0.236 117 R C 2.558 178.875 176.300 0.028 0.000 1.141 117 R CA 3.027 59.120 56.100 -0.011 0.000 1.001 117 R CB -0.136 30.178 30.300 0.024 0.000 0.866 117 R HN -0.606 7.493 8.270 -0.284 0.001 0.468 118 E N -1.400 118.795 120.200 -0.009 0.000 2.134 118 E HA -0.025 nan 4.350 nan 0.000 0.194 118 E C 1.251 177.857 176.600 0.009 0.000 0.937 118 E CA 1.530 57.932 56.400 0.004 0.000 0.874 118 E CB 0.258 29.953 29.700 -0.009 0.000 0.853 118 E HN 0.171 8.338 8.360 -0.041 0.168 0.471 119 K N -2.129 118.269 120.400 -0.004 0.000 2.442 119 K HA -0.205 nan 4.320 nan 0.000 0.200 119 K C 1.901 178.513 176.600 0.020 0.000 1.045 119 K CA 1.155 57.444 56.287 0.002 0.000 0.937 119 K CB -0.518 31.977 32.500 -0.008 0.000 0.757 119 K HN -0.452 7.787 8.250 -0.018 0.000 0.474 120 A N -0.291 122.554 122.820 0.042 0.000 2.028 120 A HA -0.062 nan 4.320 nan 0.000 0.213 120 A C 0.917 178.537 177.584 0.061 0.000 1.486 120 A CA 1.746 53.830 52.037 0.078 0.000 0.597 120 A CB 0.088 19.196 19.000 0.180 0.000 1.089 120 A HN -0.014 8.123 8.150 0.036 0.034 0.489 121 R N 0.545 121.092 120.500 0.078 0.000 4.559 121 R HA -0.174 nan 4.340 nan 0.000 0.177 121 R C -0.222 176.098 176.300 0.034 0.000 1.875 121 R CA -0.563 55.570 56.100 0.054 0.000 1.509 121 R CB -2.458 27.881 30.300 0.065 0.000 1.395 121 R HN 0.225 8.561 8.270 0.109 0.000 0.830 122 G N -1.400 107.415 108.800 0.025 0.000 3.669 122 G HA2 -0.059 nan 3.960 nan 0.000 0.230 122 G HA3 -0.059 nan 3.960 nan 0.000 0.230 122 G C -1.193 173.714 174.900 0.011 0.000 2.671 122 G CA 0.020 45.129 45.100 0.016 0.000 0.975 122 G HN 0.285 8.518 8.290 0.026 0.073 0.448 123 A N 0.439 123.266 122.820 0.010 0.000 1.848 123 A HA -0.296 nan 4.320 nan 0.000 0.217 123 A C 0.198 177.784 177.584 0.004 0.000 1.220 123 A CA 2.975 55.016 52.037 0.006 0.000 0.645 123 A CB 0.003 19.006 19.000 0.005 0.000 0.842 123 A HN 0.178 8.336 8.150 0.012 0.000 0.451 124 K N -1.064 119.339 120.400 0.005 0.000 3.129 124 K HA 0.153 nan 4.320 nan 0.000 0.224 124 K C -1.646 174.958 176.600 0.006 0.000 1.249 124 K CA -0.595 55.694 56.287 0.004 0.000 1.177 124 K CB -1.463 31.039 32.500 0.004 0.000 1.393 124 K HN 0.166 8.420 8.250 0.005 0.000 0.459 125 A N -1.169 121.655 122.820 0.007 0.000 5.168 125 A HA 0.326 nan 4.320 nan 0.000 0.202 125 A C -2.042 175.546 177.584 0.007 0.000 0.857 125 A CA -0.374 51.668 52.037 0.009 0.000 0.757 125 A CB 1.391 20.397 19.000 0.010 0.000 1.957 125 A HN -0.508 7.530 8.150 0.006 0.115 0.959 126 I N -4.841 115.733 120.570 0.007 0.000 2.982 126 I HA 0.465 nan 4.170 nan 0.000 0.312 126 I C -1.389 174.727 176.117 -0.002 0.000 1.041 126 I CA -1.070 60.231 61.300 0.001 0.000 1.053 126 I CB 2.587 40.588 38.000 0.001 0.000 1.248 126 I HN 0.045 8.260 8.210 0.007 0.000 0.471 127 G N 0.543 109.338 108.800 -0.009 0.000 3.019 127 G HA2 0.000 nan 3.960 nan 0.000 0.125 127 G HA3 0.000 nan 3.960 nan 0.000 0.125 127 G C -1.796 173.098 174.900 -0.010 0.000 1.193 127 G CA 0.579 45.677 45.100 -0.004 0.000 1.432 127 G HN 0.020 8.302 8.290 -0.012 0.000 0.687 128 T N 0.537 115.087 114.554 -0.005 0.000 3.151 128 T HA 0.219 nan 4.350 nan 0.000 0.257 128 T C 0.258 174.949 174.700 -0.016 0.000 0.872 128 T CA 0.416 62.511 62.100 -0.008 0.000 0.873 128 T CB 1.353 70.225 68.868 0.007 0.000 1.272 128 T HN 0.236 8.475 8.240 -0.002 0.000 0.543 129 T N 3.055 117.596 114.554 -0.020 0.000 2.708 129 T HA -0.378 nan 4.350 nan 0.000 0.293 129 T C 0.666 175.348 174.700 -0.031 0.000 1.009 129 T CA 2.288 64.371 62.100 -0.029 0.000 1.158 129 T CB 0.217 69.069 68.868 -0.027 0.000 1.078 129 T HN -0.023 8.284 8.240 -0.017 -0.077 0.465 130 G N 4.154 112.934 108.800 -0.033 0.000 2.055 130 G HA2 -0.146 nan 3.960 nan 0.000 0.160 130 G HA3 -0.146 nan 3.960 nan 0.000 0.160 130 G C -0.884 173.995 174.900 -0.034 0.000 1.087 130 G CA 0.079 45.155 45.100 -0.039 0.000 1.269 130 G HN -0.298 8.118 8.290 -0.032 -0.146 0.461 131 R N 3.798 124.260 120.500 -0.063 0.000 2.093 131 R HA -0.112 nan 4.340 nan 0.000 0.224 131 R C 1.027 177.333 176.300 0.010 0.000 1.101 131 R CA 0.377 56.440 56.100 -0.062 0.000 0.979 131 R CB 0.667 30.786 30.300 -0.302 0.000 0.877 131 R HN 0.313 8.534 8.270 -0.083 0.000 0.441 132 G N -1.803 106.988 108.800 -0.014 0.000 2.164 132 G HA2 -0.293 nan 3.960 nan 0.000 0.212 132 G HA3 -0.293 nan 3.960 nan 0.000 0.212 132 G C -0.182 174.691 174.900 -0.046 0.000 1.031 132 G CA 0.241 45.343 45.100 0.004 0.000 0.730 132 G HN 0.260 8.845 8.290 -0.033 -0.314 0.501 133 I N 0.009 120.552 120.570 -0.046 0.000 2.277 133 I HA -0.281 nan 4.170 nan 0.000 0.243 133 I C 1.073 177.201 176.117 0.018 0.000 1.094 133 I CA 2.907 64.175 61.300 -0.054 0.000 1.393 133 I CB -0.081 37.918 38.000 -0.002 0.000 1.078 133 I HN -0.209 7.977 8.210 -0.041 0.000 0.417 134 G N -0.634 108.222 108.800 0.094 0.000 2.421 134 G HA2 -0.133 nan 3.960 nan 0.000 0.216 134 G HA3 -0.133 nan 3.960 nan 0.000 0.216 134 G C -1.739 173.218 174.900 0.095 0.000 1.171 134 G CA 2.752 47.946 45.100 0.156 0.000 0.775 134 G HN 0.478 8.802 8.290 0.057 0.000 0.543 135 P HA -0.180 nan 4.420 nan 0.000 0.219 135 P C 0.540 177.784 177.300 -0.093 0.000 1.146 135 P CA 2.562 65.707 63.100 0.076 0.000 0.808 135 P CB -0.490 31.302 31.700 0.154 0.000 0.779 136 A N -3.655 118.914 122.820 -0.418 0.000 1.969 136 A HA -0.180 nan 4.320 nan 0.000 0.218 136 A C 2.116 179.515 177.584 -0.308 0.000 1.169 136 A CA 2.716 54.319 52.037 -0.722 0.000 0.635 136 A CB -0.645 17.955 19.000 -0.666 0.000 0.810 136 A HN -0.410 7.450 8.150 -0.298 0.111 0.445 137 Y N -1.731 118.514 120.300 -0.092 0.000 2.269 137 Y HA -0.259 nan 4.550 nan 0.000 0.294 137 Y C 1.817 177.732 175.900 0.026 0.000 1.120 137 Y CA 2.997 61.086 58.100 -0.017 0.000 1.159 137 Y CB 0.023 38.480 38.460 -0.005 0.000 1.024 137 Y HN -0.740 7.442 8.280 0.015 0.107 0.532 138 E N 0.237 120.561 120.200 0.206 0.000 2.130 138 E HA -0.490 nan 4.350 nan 0.000 0.196 138 E C 2.403 179.110 176.600 0.178 0.000 0.998 138 E CA 3.593 60.099 56.400 0.177 0.000 0.806 138 E CB -0.394 29.415 29.700 0.181 0.000 0.738 138 E HN -0.066 8.411 8.360 0.195 0.000 0.459 139 D N -1.207 119.316 120.400 0.205 0.000 2.123 139 D HA -0.178 nan 4.640 nan 0.000 0.200 139 D C 1.946 178.335 176.300 0.148 0.000 0.976 139 D CA 3.207 57.343 54.000 0.227 0.000 0.831 139 D CB -0.281 40.735 40.800 0.360 0.000 0.974 139 D HN -0.576 7.900 8.370 0.189 0.008 0.469 140 K N 0.350 120.826 120.400 0.127 0.000 2.063 140 K HA -0.260 nan 4.320 nan 0.000 0.208 140 K C 1.698 178.361 176.600 0.105 0.000 1.048 140 K CA 3.089 59.442 56.287 0.110 0.000 0.928 140 K CB 0.116 32.687 32.500 0.119 0.000 0.713 140 K HN -0.802 7.436 8.250 0.115 0.080 0.442 141 V N -2.017 117.967 119.914 0.117 0.000 2.358 141 V HA -0.207 nan 4.120 nan 0.000 0.246 141 V C 1.794 177.924 176.094 0.059 0.000 1.047 141 V CA 3.457 65.810 62.300 0.088 0.000 1.035 141 V CB -0.036 31.841 31.823 0.090 0.000 0.658 141 V HN 0.080 8.364 8.190 0.144 -0.007 0.452 142 A N -3.250 119.605 122.820 0.058 0.000 2.119 142 A HA -0.070 nan 4.320 nan 0.000 0.217 142 A C 0.137 177.719 177.584 -0.004 0.000 1.153 142 A CA 1.240 53.286 52.037 0.015 0.000 0.692 142 A CB 0.081 19.077 19.000 -0.007 0.000 0.799 142 A HN 0.094 8.184 8.150 0.086 0.112 0.458 143 R N -4.324 116.190 120.500 0.024 0.000 3.281 143 R HA -0.281 nan 4.340 nan 0.000 0.271 143 R C -0.067 176.232 176.300 -0.001 0.000 1.099 143 R CA 1.270 57.381 56.100 0.019 0.000 0.732 143 R CB -2.505 27.800 30.300 0.008 0.000 1.269 143 R HN -0.430 7.721 8.270 0.051 0.150 0.412 144 R N -5.249 115.261 120.500 0.016 0.000 2.302 144 R HA 0.236 nan 4.340 nan 0.000 0.187 144 R C 0.433 176.783 176.300 0.083 0.000 0.904 144 R CA 0.176 56.274 56.100 -0.003 0.000 1.105 144 R CB 1.132 31.371 30.300 -0.102 0.000 1.239 144 R HN -0.111 8.189 8.270 0.050 0.000 0.620 145 G N 0.334 109.228 108.800 0.158 0.000 2.670 145 G HA2 -0.172 nan 3.960 nan 0.000 0.233 145 G HA3 -0.172 nan 3.960 nan 0.000 0.233 145 G C -0.470 174.540 174.900 0.184 0.000 1.251 145 G CA 0.226 45.462 45.100 0.226 0.000 0.849 145 G HN -0.611 7.664 8.290 0.155 0.108 0.588 146 L N -0.240 121.123 121.223 0.233 0.000 2.387 146 L HA 0.532 nan 4.340 nan 0.000 0.266 146 L C -0.470 176.501 176.870 0.168 0.000 1.059 146 L CA -0.510 54.468 54.840 0.231 0.000 0.801 146 L CB 1.432 43.712 42.059 0.368 0.000 1.223 146 L HN 0.179 8.586 8.230 0.296 0.000 0.456 147 R N -2.444 118.140 120.500 0.140 0.000 2.808 147 R HA 0.492 nan 4.340 nan 0.000 0.272 147 R C 1.565 177.874 176.300 0.014 0.000 0.995 147 R CA -1.146 54.997 56.100 0.071 0.000 0.917 147 R CB 2.943 33.286 30.300 0.071 0.000 1.217 147 R HN 0.537 9.336 8.270 0.170 -0.427 0.471 148 V N 2.528 122.420 119.914 -0.037 0.000 2.313 148 V HA -0.458 nan 4.120 nan 0.000 0.253 148 V C 1.792 177.775 176.094 -0.185 0.000 1.070 148 V CA 4.945 67.166 62.300 -0.132 0.000 1.057 148 V CB -0.750 30.997 31.823 -0.127 0.000 0.653 148 V HN 0.402 8.582 8.190 -0.018 0.000 0.450 149 G N -2.203 106.565 108.800 -0.053 0.000 2.485 149 G HA2 -0.385 nan 3.960 nan 0.000 0.221 149 G HA3 -0.385 nan 3.960 nan 0.000 0.221 149 G C 1.169 176.118 174.900 0.081 0.000 1.115 149 G CA 2.134 47.269 45.100 0.058 0.000 0.751 149 G HN 0.406 8.601 8.290 -0.002 0.094 0.567 150 D N 2.755 123.186 120.400 0.052 0.000 2.219 150 D HA -0.132 nan 4.640 nan 0.000 0.205 150 D C 2.259 178.572 176.300 0.023 0.000 0.970 150 D CA 2.677 56.751 54.000 0.124 0.000 0.851 150 D CB -0.394 40.562 40.800 0.260 0.000 0.943 150 D HN 0.388 8.596 8.370 0.031 0.181 0.488 151 L N -1.285 119.803 121.223 -0.225 0.000 2.261 151 L HA -0.378 nan 4.340 nan 0.000 0.216 151 L C 1.443 178.189 176.870 -0.206 0.000 1.114 151 L CA 2.162 56.771 54.840 -0.385 0.000 0.777 151 L CB -0.472 41.282 42.059 -0.509 0.000 0.910 151 L HN -0.005 7.916 8.230 -0.258 0.155 0.440 152 F N -3.178 116.747 119.950 -0.041 0.000 2.171 152 F HA -0.304 nan 4.527 nan 0.000 0.300 152 F C 0.930 176.736 175.800 0.010 0.000 1.090 152 F CA 1.593 59.585 58.000 -0.014 0.000 1.293 152 F CB -0.039 38.961 39.000 -0.000 0.000 1.013 152 F HN -1.002 7.219 8.300 -0.046 0.051 0.486 153 D N -1.560 118.965 120.400 0.208 0.000 2.454 153 D HA 0.146 nan 4.640 nan 0.000 0.225 153 D C 0.050 176.449 176.300 0.165 0.000 1.081 153 D CA -1.770 52.326 54.000 0.160 0.000 0.864 153 D CB -0.129 40.759 40.800 0.148 0.000 1.040 153 D HN -0.665 7.828 8.370 0.205 0.000 0.517 154 K N 5.118 125.597 120.400 0.132 0.000 2.360 154 K HA -0.289 nan 4.320 nan 0.000 0.201 154 K C 1.507 178.227 176.600 0.201 0.000 1.046 154 K CA 2.722 59.100 56.287 0.152 0.000 0.945 154 K CB 0.224 32.780 32.500 0.093 0.000 0.750 154 K HN 0.521 8.838 8.250 0.111 0.000 0.464 155 E N -1.286 119.008 120.200 0.158 0.000 2.162 155 E HA -0.028 nan 4.350 nan 0.000 0.193 155 E C 1.265 177.945 176.600 0.133 0.000 0.953 155 E CA 2.587 59.066 56.400 0.132 0.000 0.849 155 E CB 0.507 30.262 29.700 0.092 0.000 0.810 155 E HN 0.183 8.904 8.360 0.137 -0.279 0.470 156 T N 3.363 118.001 114.554 0.140 0.000 2.833 156 T HA -0.225 nan 4.350 nan 0.000 0.269 156 T C 1.698 176.489 174.700 0.151 0.000 1.054 156 T CA 4.772 66.947 62.100 0.124 0.000 1.135 156 T CB -0.543 68.396 68.868 0.118 0.000 0.869 156 T HN -0.271 8.537 8.240 0.141 -0.484 0.466 157 F N 1.335 121.326 119.950 0.068 0.000 2.095 157 F HA -0.454 nan 4.527 nan 0.000 0.298 157 F C 0.353 176.211 175.800 0.097 0.000 1.104 157 F CA 3.023 61.066 58.000 0.072 0.000 1.232 157 F CB -0.141 38.891 39.000 0.053 0.000 0.987 157 F HN 0.097 8.607 8.300 0.341 -0.006 0.475 158 A N -1.968 120.859 122.820 0.011 0.000 1.873 158 A HA -0.458 nan 4.320 nan 0.000 0.218 158 A C 1.829 179.425 177.584 0.020 0.000 1.193 158 A CA 3.316 55.355 52.037 0.004 0.000 0.629 158 A CB -0.939 18.142 19.000 0.134 0.000 0.826 158 A HN -0.451 7.740 8.150 0.204 0.081 0.447 159 E N -2.422 117.783 120.200 0.008 0.000 2.077 159 E HA -0.400 nan 4.350 nan 0.000 0.193 159 E C 2.371 178.931 176.600 -0.067 0.000 0.989 159 E CA 2.895 59.279 56.400 -0.026 0.000 0.800 159 E CB -0.524 29.169 29.700 -0.012 0.000 0.746 159 E HN -0.512 7.869 8.360 0.034 0.000 0.452 160 K N -0.290 120.065 120.400 -0.076 0.000 2.044 160 K HA -0.347 nan 4.320 nan 0.000 0.210 160 K C 2.627 179.153 176.600 -0.123 0.000 1.049 160 K CA 2.952 59.190 56.287 -0.082 0.000 0.927 160 K CB -0.222 32.254 32.500 -0.040 0.000 0.713 160 K HN -0.366 7.852 8.250 -0.053 0.000 0.443 161 L N -0.662 120.427 121.223 -0.224 0.000 2.017 161 L HA -0.369 nan 4.340 nan 0.000 0.208 161 L C 1.310 178.184 176.870 0.007 0.000 1.073 161 L CA 3.271 58.022 54.840 -0.147 0.000 0.745 161 L CB -0.256 41.613 42.059 -0.317 0.000 0.894 161 L HN 0.091 8.100 8.230 -0.369 0.000 0.432 162 K N -1.019 119.373 120.400 -0.014 0.000 2.032 162 K HA -0.501 nan 4.320 nan 0.000 0.209 162 K C 2.070 178.531 176.600 -0.231 0.000 1.048 162 K CA 3.872 59.939 56.287 -0.367 0.000 0.927 162 K CB -0.259 31.897 32.500 -0.573 0.000 0.712 162 K HN -0.146 8.129 8.250 0.041 0.000 0.441 163 E N -0.984 119.118 120.200 -0.162 0.000 2.023 163 E HA -0.393 nan 4.350 nan 0.000 0.196 163 E C 2.408 178.929 176.600 -0.132 0.000 1.003 163 E CA 3.269 59.590 56.400 -0.132 0.000 0.809 163 E CB 0.008 29.643 29.700 -0.109 0.000 0.755 163 E HN -0.515 7.760 8.360 -0.143 0.000 0.449 164 V N -0.755 119.072 119.914 -0.144 0.000 2.407 164 V HA -0.380 nan 4.120 nan 0.000 0.248 164 V C 2.317 178.257 176.094 -0.257 0.000 1.055 164 V CA 3.996 66.183 62.300 -0.188 0.000 1.049 164 V CB -1.207 30.541 31.823 -0.124 0.000 0.662 164 V HN -0.348 7.768 8.190 -0.125 0.000 0.455 165 M N -1.517 117.919 119.600 -0.272 0.000 2.213 165 M HA -0.462 nan 4.480 nan 0.000 0.263 165 M C 2.324 178.553 176.300 -0.119 0.000 1.062 165 M CA 4.036 59.176 55.300 -0.267 0.000 1.105 165 M CB -1.024 31.512 32.600 -0.108 0.000 1.385 165 M HN 0.297 8.461 8.290 -0.210 0.000 0.417 166 E N -0.190 119.951 120.200 -0.099 0.000 2.047 166 E HA -0.343 nan 4.350 nan 0.000 0.191 166 E C 2.229 178.832 176.600 0.005 0.000 0.987 166 E CA 3.033 59.409 56.400 -0.039 0.000 0.799 166 E CB -0.230 29.437 29.700 -0.055 0.000 0.752 166 E HN -0.155 8.021 8.360 -0.129 0.106 0.449 167 Y N 1.227 121.425 120.300 -0.170 0.000 2.128 167 Y HA -0.500 nan 4.550 nan 0.000 0.284 167 Y C 2.317 178.146 175.900 -0.117 0.000 1.154 167 Y CA 3.673 61.640 58.100 -0.222 0.000 1.149 167 Y CB 0.030 38.267 38.460 -0.371 0.000 0.976 167 Y HN -0.425 7.856 8.280 0.001 0.000 0.505 168 H N -2.714 116.280 119.070 -0.127 0.000 2.395 168 H HA -0.197 nan 4.556 nan 0.000 0.299 168 H C 2.714 178.017 175.328 -0.042 0.000 1.070 168 H CA 3.000 58.958 56.048 -0.149 0.000 1.356 168 H CB -0.212 29.502 29.762 -0.080 0.000 1.401 168 H HN -0.064 8.127 8.280 -0.148 0.000 0.524 169 N N 0.231 118.989 118.700 0.096 0.000 2.104 169 N HA -0.327 nan 4.740 nan 0.000 0.190 169 N C 1.906 177.498 175.510 0.136 0.000 1.024 169 N CA 3.251 56.360 53.050 0.099 0.000 0.853 169 N CB -0.386 38.138 38.487 0.061 0.000 1.008 169 N HN 0.129 8.425 8.380 0.047 0.113 0.424 170 F N 0.965 120.888 119.950 -0.045 0.000 2.120 170 F HA -0.446 nan 4.527 nan 0.000 0.300 170 F C 1.521 177.311 175.800 -0.016 0.000 1.095 170 F CA 3.865 61.838 58.000 -0.045 0.000 1.249 170 F CB 0.061 39.008 39.000 -0.088 0.000 0.995 170 F HN -0.034 8.394 8.300 0.213 0.000 0.480 171 Q N -1.138 118.857 119.800 0.326 0.000 1.993 171 Q HA -0.417 nan 4.340 nan 0.000 0.202 171 Q C 2.472 178.688 176.000 0.360 0.000 0.984 171 Q CA 3.450 59.424 55.803 0.285 0.000 0.837 171 Q CB -0.002 28.851 28.738 0.192 0.000 0.902 171 Q HN -0.731 7.571 8.270 0.202 0.089 0.423 172 L N -1.006 120.423 121.223 0.343 0.000 1.989 172 L HA -0.465 nan 4.340 nan 0.000 0.211 172 L C 2.301 179.296 176.870 0.208 0.000 1.071 172 L CA 3.371 58.414 54.840 0.338 0.000 0.749 172 L CB -0.385 41.777 42.059 0.171 0.000 0.890 172 L HN -0.319 8.068 8.230 0.262 0.000 0.431 173 V N -1.437 118.532 119.914 0.091 0.000 2.216 173 V HA -0.508 nan 4.120 nan 0.000 0.243 173 V C 2.712 178.774 176.094 -0.053 0.000 1.044 173 V CA 4.662 66.962 62.300 0.000 0.000 0.995 173 V CB -0.694 31.099 31.823 -0.049 0.000 0.633 173 V HN 0.461 8.704 8.190 0.088 0.000 0.446 174 N N -0.396 118.208 118.700 -0.160 0.000 2.092 174 N HA -0.227 nan 4.740 nan 0.000 0.189 174 N C 1.831 177.294 175.510 -0.079 0.000 1.040 174 N CA 3.269 56.203 53.050 -0.192 0.000 0.845 174 N CB -0.233 37.995 38.487 -0.431 0.000 1.017 174 N HN -0.124 8.122 8.380 -0.223 0.000 0.426 175 Y N 1.775 121.994 120.300 -0.135 0.000 2.181 175 Y HA -0.365 nan 4.550 nan 0.000 0.288 175 Y C 2.466 178.206 175.900 -0.268 0.000 1.146 175 Y CA 4.256 62.229 58.100 -0.212 0.000 1.164 175 Y CB 0.182 38.460 38.460 -0.303 0.000 0.982 175 Y HN -0.708 7.640 8.280 0.113 0.000 0.515 176 Y N -3.635 116.672 120.300 0.012 0.000 2.436 176 Y HA -0.166 nan 4.550 nan 0.000 0.288 176 Y C -0.216 175.643 175.900 -0.068 0.000 1.112 176 Y CA 2.052 60.126 58.100 -0.043 0.000 1.220 176 Y CB 0.935 39.438 38.460 0.072 0.000 1.073 176 Y HN -0.173 8.207 8.280 0.166 0.000 0.552 177 K N -5.292 115.164 120.400 0.093 0.000 3.200 177 K HA -0.339 nan 4.320 nan 0.000 0.272 177 K C -1.400 175.233 176.600 0.055 0.000 1.150 177 K CA 0.231 56.538 56.287 0.033 0.000 0.801 177 K CB -2.470 30.025 32.500 -0.009 0.000 1.269 177 K HN -0.016 8.110 8.250 0.094 0.180 0.500 178 A N -1.467 121.402 122.820 0.081 0.000 2.344 178 A HA 0.238 nan 4.320 nan 0.000 0.307 178 A C -1.768 175.838 177.584 0.037 0.000 1.151 178 A CA -0.712 51.354 52.037 0.049 0.000 0.842 178 A CB 1.582 20.604 19.000 0.037 0.000 1.350 178 A HN -0.264 7.840 8.150 0.115 0.115 0.459 179 E N -0.670 119.544 120.200 0.023 0.000 2.398 179 E HA -0.145 nan 4.350 nan 0.000 0.263 179 E C -1.188 175.434 176.600 0.036 0.000 1.046 179 E CA -0.183 56.231 56.400 0.024 0.000 0.908 179 E CB 0.842 30.553 29.700 0.018 0.000 0.963 179 E HN 0.126 8.495 8.360 0.015 0.000 0.431 180 A N 2.633 125.475 122.820 0.037 0.000 2.269 180 A HA 0.170 nan 4.320 nan 0.000 0.302 180 A C -0.274 177.344 177.584 0.057 0.000 1.266 180 A CA -0.746 51.321 52.037 0.049 0.000 0.894 180 A CB 0.565 19.589 19.000 0.039 0.000 1.147 180 A HN 0.281 8.448 8.150 0.029 0.000 0.537 181 V N 4.071 124.031 119.914 0.076 0.000 2.694 181 V HA -0.237 nan 4.120 nan 0.000 0.306 181 V C -0.509 175.644 176.094 0.098 0.000 1.054 181 V CA 0.894 63.249 62.300 0.092 0.000 1.161 181 V CB 0.457 32.364 31.823 0.140 0.000 0.916 181 V HN 0.336 8.640 8.190 0.083 -0.064 0.490 182 D N 5.871 126.324 120.400 0.088 0.000 2.371 182 D HA -0.099 nan 4.640 nan 0.000 0.256 182 D C 0.107 176.484 176.300 0.129 0.000 1.193 182 D CA -0.076 53.982 54.000 0.096 0.000 0.881 182 D CB 1.137 41.975 40.800 0.063 0.000 1.143 182 D HN -0.130 8.284 8.370 0.073 0.000 0.473 183 Y N 8.421 128.736 120.300 0.026 0.000 2.224 183 Y HA -0.436 nan 4.550 nan 0.000 0.289 183 Y C 0.935 176.854 175.900 0.031 0.000 1.146 183 Y CA 3.687 61.798 58.100 0.019 0.000 1.182 183 Y CB 0.446 38.899 38.460 -0.012 0.000 0.983 183 Y HN 0.508 8.937 8.280 0.248 0.000 0.524 184 Q N -0.419 119.365 119.800 -0.027 0.000 2.123 184 Q HA -0.268 nan 4.340 nan 0.000 0.199 184 Q C 2.056 177.996 176.000 -0.099 0.000 0.966 184 Q CA 3.025 58.749 55.803 -0.132 0.000 0.845 184 Q CB -0.554 28.193 28.738 0.016 0.000 0.907 184 Q HN -0.294 8.269 8.270 0.145 -0.206 0.439 185 K N -1.559 118.822 120.400 -0.031 0.000 2.063 185 K HA -0.268 nan 4.320 nan 0.000 0.208 185 K C 2.108 178.692 176.600 -0.028 0.000 1.048 185 K CA 3.208 59.485 56.287 -0.015 0.000 0.928 185 K CB -0.434 32.073 32.500 0.011 0.000 0.713 185 K HN 0.035 8.574 8.250 0.004 -0.286 0.442 186 V N -0.022 119.871 119.914 -0.034 0.000 2.307 186 V HA -0.305 nan 4.120 nan 0.000 0.245 186 V C 2.137 178.206 176.094 -0.041 0.000 1.045 186 V CA 3.970 66.265 62.300 -0.009 0.000 1.024 186 V CB -0.688 31.175 31.823 0.067 0.000 0.651 186 V HN -0.617 7.554 8.190 -0.029 0.001 0.449 187 L N -0.423 120.686 121.223 -0.191 0.000 1.990 187 L HA -0.467 nan 4.340 nan 0.000 0.213 187 L C 1.443 178.288 176.870 -0.042 0.000 1.072 187 L CA 3.543 58.277 54.840 -0.176 0.000 0.755 187 L CB -0.725 41.066 42.059 -0.447 0.000 0.889 187 L HN 0.032 8.062 8.230 -0.332 0.000 0.432 188 D N -1.587 118.776 120.400 -0.061 0.000 2.117 188 D HA -0.344 nan 4.640 nan 0.000 0.197 188 D C 2.549 178.841 176.300 -0.013 0.000 0.987 188 D CA 3.676 57.661 54.000 -0.026 0.000 0.829 188 D CB -0.819 39.967 40.800 -0.025 0.000 0.961 188 D HN 0.262 8.466 8.370 -0.095 0.109 0.460 189 D N -1.012 119.381 120.400 -0.012 0.000 2.144 189 D HA -0.147 nan 4.640 nan 0.000 0.200 189 D C 1.972 178.263 176.300 -0.014 0.000 0.978 189 D CA 2.798 56.791 54.000 -0.012 0.000 0.833 189 D CB -0.113 40.681 40.800 -0.011 0.000 0.961 189 D HN -0.341 8.018 8.370 -0.017 0.000 0.470 190 T N 0.883 115.444 114.554 0.011 0.000 2.896 190 T HA -0.048 nan 4.350 nan 0.000 0.263 190 T C 1.928 176.586 174.700 -0.070 0.000 1.050 190 T CA 3.509 65.601 62.100 -0.014 0.000 1.140 190 T CB 0.068 68.989 68.868 0.088 0.000 0.877 190 T HN -0.079 8.182 8.240 0.036 0.000 0.457 191 M N 0.440 120.026 119.600 -0.023 0.000 2.254 191 M HA -0.127 nan 4.480 nan 0.000 0.265 191 M C 1.738 178.014 176.300 -0.040 0.000 1.066 191 M CA 1.492 56.771 55.300 -0.035 0.000 1.123 191 M CB -1.057 31.548 32.600 0.009 0.000 1.388 191 M HN -0.111 8.191 8.290 0.021 0.000 0.425 192 A N -2.527 120.274 122.820 -0.031 0.000 2.084 192 A HA -0.140 nan 4.320 nan 0.000 0.221 192 A C 0.946 178.506 177.584 -0.041 0.000 1.161 192 A CA 2.549 54.569 52.037 -0.029 0.000 0.653 192 A CB 0.055 19.040 19.000 -0.025 0.000 0.802 192 A HN -0.172 7.964 8.150 -0.024 0.000 0.457 193 V N -9.886 109.992 119.914 -0.060 0.000 3.382 193 V HA 0.316 nan 4.120 nan 0.000 0.296 193 V C 1.215 177.247 176.094 -0.104 0.000 1.529 193 V CA -0.750 61.507 62.300 -0.072 0.000 1.048 193 V CB -0.225 31.556 31.823 -0.070 0.000 0.878 193 V HN -0.708 7.394 8.190 -0.069 0.047 0.442 194 A N 3.219 125.959 122.820 -0.133 0.000 1.923 194 A HA -0.514 nan 4.320 nan 0.000 0.222 194 A C 0.949 178.436 177.584 -0.162 0.000 1.258 194 A CA 3.932 55.854 52.037 -0.191 0.000 0.670 194 A CB -0.813 18.065 19.000 -0.203 0.000 0.834 194 A HN -0.108 7.858 8.150 -0.120 0.112 0.470 195 D N -2.727 117.612 120.400 -0.100 0.000 2.350 195 D HA -0.201 nan 4.640 nan 0.000 0.216 195 D C 2.042 178.307 176.300 -0.059 0.000 0.968 195 D CA 3.367 57.327 54.000 -0.066 0.000 0.894 195 D CB -0.272 40.513 40.800 -0.025 0.000 0.909 195 D HN 0.142 8.460 8.370 -0.081 0.003 0.520 196 I N -0.075 120.454 120.570 -0.069 0.000 2.277 196 I HA -0.400 nan 4.170 nan 0.000 0.243 196 I C 1.428 177.504 176.117 -0.069 0.000 1.094 196 I CA 3.723 64.990 61.300 -0.055 0.000 1.393 196 I CB 0.193 38.163 38.000 -0.050 0.000 1.078 196 I HN 0.212 8.202 8.210 -0.080 0.172 0.417 197 L N -0.912 120.248 121.223 -0.105 0.000 2.027 197 L HA -0.396 nan 4.340 nan 0.000 0.206 197 L C 2.479 179.255 176.870 -0.157 0.000 1.074 197 L CA 3.470 58.234 54.840 -0.125 0.000 0.745 197 L CB -0.903 41.061 42.059 -0.158 0.000 0.898 197 L HN -0.615 7.545 8.230 -0.116 0.000 0.433 198 T N -4.775 109.637 114.554 -0.237 0.000 2.946 198 T HA -0.261 nan 4.350 nan 0.000 0.271 198 T C 2.012 176.687 174.700 -0.042 0.000 1.104 198 T CA 3.576 65.473 62.100 -0.338 0.000 1.114 198 T CB -0.711 67.822 68.868 -0.559 0.000 0.867 198 T HN 0.209 8.307 8.240 -0.236 0.000 0.513 199 S N 1.877 117.569 115.700 -0.012 0.000 2.558 199 S HA -0.021 nan 4.470 nan 0.000 0.217 199 S C 0.508 175.125 174.600 0.029 0.000 0.975 199 S CA 2.264 60.487 58.200 0.039 0.000 0.912 199 S CB 0.066 63.279 63.200 0.022 0.000 0.776 199 S HN -0.385 7.753 8.310 -0.048 0.143 0.526 200 M N 0.302 119.906 119.600 0.006 0.000 2.371 200 M HA 0.100 nan 4.480 nan 0.000 0.246 200 M C -1.270 175.045 176.300 0.026 0.000 1.103 200 M CA 0.204 55.511 55.300 0.012 0.000 1.010 200 M CB 1.450 34.047 32.600 -0.005 0.000 1.457 200 M HN 0.001 8.113 8.290 -0.022 0.165 0.486 201 V N 0.014 119.952 119.914 0.040 0.000 2.811 201 V HA 0.198 nan 4.120 nan 0.000 0.302 201 V C -0.716 175.429 176.094 0.086 0.000 1.063 201 V CA 1.695 64.035 62.300 0.067 0.000 1.088 201 V CB 0.188 32.073 31.823 0.103 0.000 0.982 201 V HN -0.949 7.206 8.190 0.041 0.060 0.485 202 V N 5.079 125.037 119.914 0.074 0.000 3.204 202 V HA 0.303 nan 4.120 nan 0.000 0.298 202 V C -2.115 174.011 176.094 0.053 0.000 1.328 202 V CA -1.505 60.830 62.300 0.059 0.000 1.035 202 V CB 4.732 36.579 31.823 0.039 0.000 1.095 202 V HN 0.111 8.342 8.190 0.067 0.000 0.442 203 D N 4.915 125.338 120.400 0.039 0.000 2.344 203 D HA 0.132 nan 4.640 nan 0.000 0.253 203 D C 0.612 176.923 176.300 0.018 0.000 1.255 203 D CA 0.315 54.335 54.000 0.033 0.000 0.894 203 D CB 0.138 40.952 40.800 0.024 0.000 1.067 203 D HN 0.108 8.497 8.370 0.032 0.000 0.492 204 V N 4.985 124.916 119.914 0.027 0.000 2.591 204 V HA -0.225 nan 4.120 nan 0.000 0.249 204 V C 1.340 177.441 176.094 0.013 0.000 1.053 204 V CA 2.704 65.013 62.300 0.015 0.000 1.068 204 V CB -0.252 31.594 31.823 0.038 0.000 0.689 204 V HN 0.305 8.520 8.190 0.042 0.000 0.462 205 S N -1.010 114.710 115.700 0.034 0.000 2.461 205 S HA -0.281 nan 4.470 nan 0.000 0.228 205 S C 1.719 176.328 174.600 0.015 0.000 1.005 205 S CA 3.671 61.895 58.200 0.041 0.000 0.942 205 S CB -0.200 63.035 63.200 0.058 0.000 0.776 205 S HN -0.051 8.283 8.310 0.040 0.000 0.514 206 D N 2.255 122.657 120.400 0.003 0.000 2.194 206 D HA -0.085 nan 4.640 nan 0.000 0.204 206 D C 1.615 177.891 176.300 -0.039 0.000 0.964 206 D CA 2.499 56.493 54.000 -0.011 0.000 0.846 206 D CB 0.401 41.198 40.800 -0.004 0.000 0.962 206 D HN -0.678 7.861 8.370 0.009 -0.163 0.490 207 L N 0.443 121.631 121.223 -0.058 0.000 1.988 207 L HA -0.268 nan 4.340 nan 0.000 0.207 207 L C 1.405 178.166 176.870 -0.181 0.000 1.071 207 L CA 3.430 58.200 54.840 -0.117 0.000 0.744 207 L CB -0.003 41.975 42.059 -0.135 0.000 0.893 207 L HN -0.698 7.507 8.230 -0.041 0.000 0.433 208 L N -3.323 117.805 121.223 -0.159 0.000 2.127 208 L HA -0.478 nan 4.340 nan 0.000 0.211 208 L C 2.393 179.209 176.870 -0.090 0.000 1.089 208 L CA 3.030 57.786 54.840 -0.139 0.000 0.757 208 L CB -0.845 41.213 42.059 -0.001 0.000 0.899 208 L HN -0.026 8.139 8.230 -0.110 0.000 0.434 209 D N -0.894 119.461 120.400 -0.075 0.000 2.097 209 D HA -0.255 nan 4.640 nan 0.000 0.197 209 D C 2.078 178.319 176.300 -0.099 0.000 0.984 209 D CA 3.296 57.237 54.000 -0.099 0.000 0.826 209 D CB -0.064 40.697 40.800 -0.064 0.000 0.973 209 D HN -0.585 7.737 8.370 -0.056 0.015 0.460 210 Q N -0.408 119.344 119.800 -0.079 0.000 2.061 210 Q HA -0.402 nan 4.340 nan 0.000 0.204 210 Q C 2.458 178.427 176.000 -0.051 0.000 0.984 210 Q CA 3.099 58.867 55.803 -0.059 0.000 0.846 210 Q CB 0.009 28.718 28.738 -0.048 0.000 0.902 210 Q HN -0.477 7.747 8.270 -0.076 0.000 0.421 211 A N -1.063 121.712 122.820 -0.074 0.000 1.908 211 A HA -0.316 nan 4.320 nan 0.000 0.218 211 A C 1.731 179.318 177.584 0.004 0.000 1.181 211 A CA 3.126 55.152 52.037 -0.018 0.000 0.627 211 A CB -0.877 18.058 19.000 -0.109 0.000 0.818 211 A HN 0.396 8.470 8.150 -0.126 0.000 0.445 212 R N -1.435 119.040 120.500 -0.041 0.000 2.152 212 R HA -0.288 nan 4.340 nan 0.000 0.232 212 R C 2.193 178.454 176.300 -0.066 0.000 1.117 212 R CA 2.626 58.692 56.100 -0.057 0.000 0.981 212 R CB -0.036 30.153 30.300 -0.185 0.000 0.870 212 R HN -0.235 7.908 8.270 -0.073 0.083 0.451 213 Q N -2.828 116.930 119.800 -0.069 0.000 2.250 213 Q HA -0.111 nan 4.340 nan 0.000 0.200 213 Q C 1.765 177.750 176.000 -0.026 0.000 0.941 213 Q CA 2.133 57.905 55.803 -0.053 0.000 0.872 213 Q CB 0.747 29.452 28.738 -0.056 0.000 0.965 213 Q HN -0.459 7.649 8.270 -0.074 0.117 0.480 214 R N -2.294 118.196 120.500 -0.017 0.000 2.319 214 R HA 0.029 nan 4.340 nan 0.000 0.204 214 R C 0.414 176.706 176.300 -0.014 0.000 0.954 214 R CA 0.068 56.160 56.100 -0.013 0.000 1.066 214 R CB -0.055 30.242 30.300 -0.005 0.000 0.991 214 R HN -0.245 8.014 8.270 -0.018 0.000 0.486 215 G N -0.494 108.308 108.800 0.004 0.000 2.295 215 G HA2 -0.422 nan 3.960 nan 0.000 0.287 215 G HA3 -0.422 nan 3.960 nan 0.000 0.287 215 G C -0.594 174.310 174.900 0.008 0.000 1.055 215 G CA 0.238 45.351 45.100 0.021 0.000 0.922 215 G HN -0.234 7.937 8.290 0.004 0.122 0.503 216 D N 0.165 120.599 120.400 0.056 0.000 2.344 216 D HA -0.038 nan 4.640 nan 0.000 0.244 216 D C -0.276 176.165 176.300 0.236 0.000 1.134 216 D CA 0.074 54.111 54.000 0.062 0.000 0.930 216 D CB 1.273 42.189 40.800 0.192 0.000 1.175 216 D HN 0.055 8.360 8.370 0.075 0.109 0.437 217 F N -0.229 119.704 119.950 -0.027 0.000 2.404 217 F HA 0.067 nan 4.527 nan 0.000 0.359 217 F C -0.291 175.582 175.800 0.122 0.000 1.134 217 F CA -2.097 55.864 58.000 -0.064 0.000 1.160 217 F CB 0.052 38.673 39.000 -0.631 0.000 1.186 217 F HN -0.089 8.210 8.300 -0.002 0.000 0.526 218 V N 6.201 126.379 119.914 0.439 0.000 2.459 218 V HA 0.636 nan 4.120 nan 0.000 0.295 218 V C -1.908 174.323 176.094 0.228 0.000 1.029 218 V CA -1.679 60.781 62.300 0.267 0.000 0.874 218 V CB 1.977 33.868 31.823 0.113 0.000 0.985 218 V HN 1.295 9.677 8.190 0.502 0.110 0.438 219 M N 5.747 125.405 119.600 0.097 0.000 2.364 219 M HA 0.774 nan 4.480 nan 0.000 0.334 219 M C -2.104 174.115 176.300 -0.135 0.000 1.107 219 M CA -1.613 53.740 55.300 0.088 0.000 0.988 219 M CB 3.614 36.312 32.600 0.163 0.000 1.673 219 M HN 0.871 9.095 8.290 0.071 0.108 0.441 220 F N 4.602 124.621 119.950 0.115 0.000 2.436 220 F HA 0.653 nan 4.527 nan 0.000 0.340 220 F C -1.929 174.009 175.800 0.230 0.000 1.113 220 F CA -1.102 56.991 58.000 0.155 0.000 1.022 220 F CB 1.810 40.812 39.000 0.004 0.000 1.128 220 F HN 1.262 9.661 8.300 0.384 0.132 0.466 221 E N 4.441 124.905 120.200 0.441 0.000 2.145 221 E HA 0.546 nan 4.350 nan 0.000 0.262 221 E C -0.369 176.385 176.600 0.258 0.000 0.883 221 E CA -1.956 54.630 56.400 0.310 0.000 0.748 221 E CB 3.178 32.975 29.700 0.163 0.000 1.140 221 E HN 0.542 9.169 8.360 0.446 0.000 0.417 222 G N 3.775 112.728 108.800 0.254 0.000 2.572 222 G HA2 0.229 nan 3.960 nan 0.000 0.261 222 G HA3 0.229 nan 3.960 nan 0.000 0.261 222 G C -1.824 173.059 174.900 -0.029 0.000 1.197 222 G CA -0.388 44.706 45.100 -0.010 0.000 0.870 222 G HN 0.337 8.815 8.290 0.313 0.000 0.548 223 A N 1.002 123.771 122.820 -0.085 0.000 1.938 223 A HA 0.198 nan 4.320 nan 0.000 0.207 223 A C 0.605 178.196 177.584 0.011 0.000 1.292 223 A CA 1.162 53.189 52.037 -0.017 0.000 0.700 223 A CB 0.759 19.744 19.000 -0.025 0.000 0.947 223 A HN -0.022 8.258 8.150 -0.171 -0.232 0.476 224 Q N -1.294 118.507 119.800 0.002 0.000 2.846 224 Q HA 0.087 nan 4.340 nan 0.000 0.185 224 Q C -0.825 175.189 176.000 0.023 0.000 1.105 224 Q CA -0.839 54.977 55.803 0.021 0.000 0.724 224 Q CB 1.592 30.344 28.738 0.023 0.000 4.033 224 Q HN -0.399 7.858 8.270 -0.021 0.000 0.373 225 G N -4.186 104.629 108.800 0.024 0.000 2.566 225 G HA2 0.340 nan 3.960 nan 0.000 0.311 225 G HA3 0.340 nan 3.960 nan 0.000 0.311 225 G C 0.521 175.408 174.900 -0.023 0.000 1.322 225 G CA -0.790 44.308 45.100 -0.004 0.000 0.969 225 G HN -0.232 8.080 8.290 0.038 0.000 0.490 226 T N 7.450 121.977 114.554 -0.044 0.000 2.635 226 T HA -0.534 nan 4.350 nan 0.000 0.265 226 T C 2.407 177.072 174.700 -0.058 0.000 1.058 226 T CA 4.956 67.030 62.100 -0.043 0.000 1.162 226 T CB -0.131 68.697 68.868 -0.067 0.000 0.859 226 T HN 0.586 8.803 8.240 -0.039 0.000 0.449 227 L N -1.049 120.066 121.223 -0.181 0.000 2.622 227 L HA -0.166 nan 4.340 nan 0.000 0.233 227 L C 0.626 177.534 176.870 0.064 0.000 1.156 227 L CA 1.717 56.465 54.840 -0.154 0.000 0.866 227 L CB -0.821 40.906 42.059 -0.554 0.000 0.980 227 L HN 0.487 8.412 8.230 -0.302 0.124 0.448 228 L N -2.932 118.341 121.223 0.084 0.000 2.607 228 L HA 0.006 nan 4.340 nan 0.000 0.228 228 L C -0.350 176.574 176.870 0.090 0.000 1.123 228 L CA -0.817 54.101 54.840 0.131 0.000 0.890 228 L CB -0.389 41.744 42.059 0.123 0.000 1.103 228 L HN 0.202 8.271 8.230 0.033 0.180 0.468 229 D N 0.783 121.232 120.400 0.082 0.000 2.586 229 D HA -0.282 nan 4.640 nan 0.000 0.234 229 D C 0.728 177.075 176.300 0.078 0.000 1.132 229 D CA 1.861 55.910 54.000 0.081 0.000 0.860 229 D CB 1.040 41.910 40.800 0.117 0.000 1.159 229 D HN -0.520 7.834 8.370 0.074 0.060 0.490 230 I N 5.838 126.436 120.570 0.046 0.000 2.185 230 I HA -0.443 nan 4.170 nan 0.000 0.246 230 I C -0.013 176.124 176.117 0.034 0.000 1.088 230 I CA 2.824 64.148 61.300 0.041 0.000 1.347 230 I CB 0.431 38.420 38.000 -0.018 0.000 1.041 230 I HN -0.157 8.070 8.210 0.028 0.000 0.415 231 D N -2.928 117.451 120.400 -0.035 0.000 2.369 231 D HA 0.039 nan 4.640 nan 0.000 0.231 231 D C 0.811 176.920 176.300 -0.319 0.000 0.967 231 D CA 2.214 56.090 54.000 -0.207 0.000 0.905 231 D CB 1.122 41.745 40.800 -0.295 0.000 1.044 231 D HN -0.312 8.189 8.370 0.002 -0.129 0.487 232 H N -1.178 117.914 119.070 0.037 0.000 2.507 232 H HA 0.214 nan 4.556 nan 0.000 0.294 232 H C 0.099 175.476 175.328 0.081 0.000 1.064 232 H CA -0.409 55.669 56.048 0.051 0.000 1.138 232 H CB 0.548 30.329 29.762 0.030 0.000 1.515 232 H HN -0.367 8.263 8.280 0.068 -0.309 0.547 233 G N -0.527 108.362 108.800 0.148 0.000 2.583 233 G HA2 0.257 nan 3.960 nan 0.000 0.280 233 G HA3 0.257 nan 3.960 nan 0.000 0.280 233 G C -0.122 174.886 174.900 0.179 0.000 1.376 233 G CA -0.976 44.219 45.100 0.158 0.000 1.043 233 G HN -0.594 7.704 8.290 0.113 0.061 0.538 234 T N -0.042 114.606 114.554 0.156 0.000 4.508 234 T HA 0.105 nan 4.350 nan 0.000 0.232 234 T C -0.495 174.286 174.700 0.134 0.000 1.027 234 T CA -1.325 60.819 62.100 0.072 0.000 0.999 234 T CB -2.294 66.523 68.868 -0.086 0.000 1.402 234 T HN -0.174 8.172 8.240 0.177 0.000 1.003 235 Y N 6.264 126.590 120.300 0.044 0.000 2.805 235 Y HA -0.316 nan 4.550 nan 0.000 0.337 235 Y C -1.857 174.044 175.900 0.002 0.000 1.252 235 Y CA -0.263 57.839 58.100 0.003 0.000 1.515 235 Y CB 0.608 39.068 38.460 -0.000 0.000 1.305 235 Y HN -0.228 8.155 8.280 0.294 0.073 0.600 236 P HA -0.085 nan 4.420 nan 0.000 0.249 236 P C -1.251 175.588 177.300 -0.768 0.000 1.229 236 P CA 0.789 63.157 63.100 -1.219 0.000 0.788 236 P CB 0.591 31.641 31.700 -1.083 0.000 1.072 237 Y N 1.385 121.536 120.300 -0.248 0.000 2.517 237 Y HA -0.168 nan 4.550 nan 0.000 0.341 237 Y C -1.151 174.689 175.900 -0.099 0.000 1.247 237 Y CA 0.780 58.778 58.100 -0.170 0.000 1.774 237 Y CB -2.573 35.778 38.460 -0.182 0.000 1.641 237 Y HN -0.243 7.836 8.280 -0.212 0.073 0.457 238 V N -2.267 117.623 119.914 -0.040 0.000 3.080 238 V HA 0.674 nan 4.120 nan 0.000 0.311 238 V C -1.226 174.872 176.094 0.007 0.000 1.389 238 V CA -2.304 60.013 62.300 0.029 0.000 1.049 238 V CB 3.691 35.550 31.823 0.061 0.000 1.078 238 V HN -0.306 7.777 8.190 -0.145 0.020 0.468 239 T N -2.950 111.619 114.554 0.025 0.000 2.819 239 T HA 0.495 nan 4.350 nan 0.000 0.271 239 T C -0.376 174.325 174.700 0.002 0.000 0.986 239 T CA -0.917 61.189 62.100 0.011 0.000 0.989 239 T CB 2.048 70.927 68.868 0.018 0.000 1.396 239 T HN 0.377 8.643 8.240 0.044 0.000 0.597 240 S N 0.842 116.542 115.700 0.000 0.000 2.329 240 S HA -0.090 nan 4.470 nan 0.000 0.215 240 S C -0.162 174.373 174.600 -0.108 0.000 1.031 240 S CA 1.952 60.143 58.200 -0.015 0.000 0.985 240 S CB 0.097 63.332 63.200 0.057 0.000 0.917 240 S HN 0.508 8.824 8.310 0.009 0.000 0.441 241 S N 1.393 117.028 115.700 -0.109 0.000 2.738 241 S HA 0.160 nan 4.470 nan 0.000 0.284 241 S C -1.089 173.458 174.600 -0.088 0.000 1.146 241 S CA -0.825 57.251 58.200 -0.206 0.000 0.997 241 S CB 1.405 64.528 63.200 -0.129 0.000 1.081 241 S HN -0.445 7.847 8.310 -0.031 0.000 0.553 242 N N -0.652 118.004 118.700 -0.073 0.000 2.525 242 N HA 0.094 nan 4.740 nan 0.000 0.271 242 N C 0.012 175.542 175.510 0.034 0.000 1.194 242 N CA 0.945 53.999 53.050 0.007 0.000 0.964 242 N CB 0.534 39.042 38.487 0.035 0.000 1.126 242 N HN 0.094 8.400 8.380 -0.122 0.000 0.452 243 T N -2.829 111.759 114.554 0.058 0.000 3.043 243 T HA 0.206 nan 4.350 nan 0.000 0.272 243 T C 0.316 175.074 174.700 0.097 0.000 0.990 243 T CA -0.595 61.541 62.100 0.059 0.000 0.897 243 T CB 1.309 70.200 68.868 0.038 0.000 1.111 243 T HN 0.796 9.585 8.240 0.067 -0.509 0.529 244 T N -0.745 113.867 114.554 0.095 0.000 2.770 244 T HA 0.217 nan 4.350 nan 0.000 0.281 244 T C 1.058 175.810 174.700 0.087 0.000 0.981 244 T CA -1.539 60.600 62.100 0.065 0.000 0.955 244 T CB 2.043 70.917 68.868 0.010 0.000 1.060 244 T HN -0.807 7.661 8.240 0.093 -0.172 0.531 245 A N -0.612 122.207 122.820 -0.002 0.000 2.168 245 A HA 0.022 nan 4.320 nan 0.000 0.215 245 A C 1.944 179.454 177.584 -0.124 0.000 1.152 245 A CA 2.288 54.276 52.037 -0.083 0.000 0.716 245 A CB -0.438 18.483 19.000 -0.131 0.000 0.794 245 A HN 0.687 9.166 8.150 -0.027 -0.345 0.465 246 G N -1.755 107.004 108.800 -0.068 0.000 2.485 246 G HA2 -0.323 nan 3.960 nan 0.000 0.221 246 G HA3 -0.323 nan 3.960 nan 0.000 0.221 246 G C 0.769 175.640 174.900 -0.049 0.000 1.115 246 G CA 1.710 46.769 45.100 -0.068 0.000 0.751 246 G HN -0.229 7.991 8.290 -0.042 0.044 0.567 247 G N -1.236 107.574 108.800 0.017 0.000 2.985 247 G HA2 0.062 nan 3.960 nan 0.000 0.209 247 G HA3 0.062 nan 3.960 nan 0.000 0.209 247 G C 0.857 175.763 174.900 0.009 0.000 1.165 247 G CA 0.047 45.202 45.100 0.091 0.000 0.776 247 G HN -0.683 7.610 8.290 0.066 0.036 0.541 248 V N 2.163 121.863 119.914 -0.357 0.000 2.427 248 V HA -0.395 nan 4.120 nan 0.000 0.248 248 V C 1.348 177.264 176.094 -0.296 0.000 1.051 248 V CA 3.939 65.863 62.300 -0.627 0.000 1.048 248 V CB -0.860 30.376 31.823 -0.979 0.000 0.666 248 V HN -0.207 7.717 8.190 -0.359 0.051 0.456 249 A N -2.132 120.559 122.820 -0.215 0.000 1.841 249 A HA -0.321 nan 4.320 nan 0.000 0.214 249 A C 1.995 179.566 177.584 -0.021 0.000 1.195 249 A CA 3.581 55.550 52.037 -0.113 0.000 0.611 249 A CB -0.818 18.116 19.000 -0.110 0.000 0.835 249 A HN -0.054 7.956 8.150 -0.233 0.000 0.443 250 T N 0.023 114.577 114.554 -0.000 0.000 2.684 250 T HA -0.280 nan 4.350 nan 0.000 0.267 250 T C 2.045 176.799 174.700 0.091 0.000 1.036 250 T CA 4.532 66.659 62.100 0.045 0.000 1.148 250 T CB -0.242 68.654 68.868 0.046 0.000 0.863 250 T HN 0.207 8.433 8.240 -0.023 0.000 0.436 251 G N -1.856 107.024 108.800 0.134 0.000 2.598 251 G HA2 -0.041 nan 3.960 nan 0.000 0.215 251 G HA3 -0.041 nan 3.960 nan 0.000 0.215 251 G C 0.211 175.236 174.900 0.208 0.000 1.131 251 G CA 1.324 46.547 45.100 0.204 0.000 0.785 251 G HN 0.279 8.529 8.290 0.129 0.117 0.539 252 S N -1.133 114.671 115.700 0.173 0.000 2.628 252 S HA 0.191 nan 4.470 nan 0.000 0.246 252 S C 0.881 175.565 174.600 0.140 0.000 1.062 252 S CA -0.628 57.691 58.200 0.199 0.000 1.028 252 S CB 2.094 65.501 63.200 0.344 0.000 0.985 252 S HN -0.680 7.665 8.310 0.120 0.037 0.551 253 G N 2.109 110.969 108.800 0.100 0.000 2.157 253 G HA2 -0.305 nan 3.960 nan 0.000 0.239 253 G HA3 -0.305 nan 3.960 nan 0.000 0.239 253 G C -0.748 174.204 174.900 0.087 0.000 0.982 253 G CA 0.350 45.499 45.100 0.081 0.000 0.650 253 G HN 0.189 8.421 8.290 0.081 0.107 0.527 254 L N 1.149 122.427 121.223 0.091 0.000 2.371 254 L HA 0.157 nan 4.340 nan 0.000 0.272 254 L C 0.099 177.020 176.870 0.086 0.000 1.124 254 L CA 0.071 54.987 54.840 0.127 0.000 0.816 254 L CB 1.327 43.464 42.059 0.129 0.000 1.129 254 L HN -1.007 7.223 8.230 0.081 0.049 0.448 255 G N 3.449 112.370 108.800 0.201 0.000 2.554 255 G HA2 0.088 nan 3.960 nan 0.000 0.238 255 G HA3 0.088 nan 3.960 nan 0.000 0.238 255 G C -1.011 173.742 174.900 -0.245 0.000 1.259 255 G CA -1.416 43.637 45.100 -0.078 0.000 0.843 255 G HN 0.067 8.640 8.290 0.472 0.000 0.582 256 P HA -0.205 nan 4.420 nan 0.000 0.215 256 P C 1.726 178.851 177.300 -0.291 0.000 1.157 256 P CA 2.271 65.228 63.100 -0.237 0.000 0.868 256 P CB 0.216 31.802 31.700 -0.189 0.000 0.788 257 R N -3.620 116.615 120.500 -0.440 0.000 2.357 257 R HA -0.141 nan 4.340 nan 0.000 0.202 257 R C 1.022 177.144 176.300 -0.296 0.000 1.047 257 R CA 1.826 57.694 56.100 -0.386 0.000 1.034 257 R CB -0.560 29.513 30.300 -0.379 0.000 0.875 257 R HN 0.420 8.375 8.270 -0.524 0.000 0.473 258 Y N -3.481 116.790 120.300 -0.047 0.000 2.466 258 Y HA -0.003 nan 4.550 nan 0.000 0.272 258 Y C -0.375 175.499 175.900 -0.044 0.000 1.169 258 Y CA -1.096 56.990 58.100 -0.024 0.000 1.285 258 Y CB -0.470 37.988 38.460 -0.003 0.000 1.078 258 Y HN -0.587 7.256 8.280 -0.430 0.179 0.523 259 V N 0.853 120.759 119.914 -0.013 0.000 2.415 259 V HA -0.222 nan 4.120 nan 0.000 0.267 259 V C 0.064 176.152 176.094 -0.009 0.000 1.042 259 V CA 1.115 63.373 62.300 -0.069 0.000 1.000 259 V CB -1.204 30.515 31.823 -0.174 0.000 1.015 259 V HN -0.668 7.420 8.190 -0.085 0.051 0.478 260 D N 7.448 127.880 120.400 0.053 0.000 2.197 260 D HA 0.020 nan 4.640 nan 0.000 0.212 260 D C -0.985 175.364 176.300 0.082 0.000 0.963 260 D CA 2.456 56.504 54.000 0.081 0.000 0.864 260 D CB 1.111 41.988 40.800 0.129 0.000 1.009 260 D HN 0.091 8.508 8.370 0.078 0.000 0.479 261 Y N -2.988 117.266 120.300 -0.077 0.000 2.470 261 Y HA 0.124 nan 4.550 nan 0.000 0.341 261 Y C -2.735 173.090 175.900 -0.124 0.000 1.021 261 Y CA -0.584 57.449 58.100 -0.112 0.000 1.025 261 Y CB 3.850 42.224 38.460 -0.142 0.000 1.266 261 Y HN -0.632 7.722 8.280 0.124 0.000 0.448 262 V N 7.228 126.946 119.914 -0.326 0.000 2.304 262 V HA 0.411 nan 4.120 nan 0.000 0.278 262 V C -1.925 174.039 176.094 -0.215 0.000 1.018 262 V CA -1.366 60.819 62.300 -0.192 0.000 0.814 262 V CB 0.537 32.234 31.823 -0.210 0.000 1.021 262 V HN 0.122 7.907 8.190 -0.674 0.000 0.440 263 L N 9.066 130.313 121.223 0.041 0.000 2.281 263 L HA 0.579 nan 4.340 nan 0.000 0.285 263 L C -1.428 175.464 176.870 0.037 0.000 1.074 263 L CA -1.126 53.769 54.840 0.091 0.000 0.817 263 L CB 2.410 44.586 42.059 0.196 0.000 1.168 263 L HN 0.810 9.100 8.230 0.101 0.000 0.434 264 G N 7.118 115.926 108.800 0.013 0.000 2.428 264 G HA2 0.356 nan 3.960 nan 0.000 0.320 264 G HA3 0.356 nan 3.960 nan 0.000 0.320 264 G C -1.639 173.377 174.900 0.194 0.000 1.098 264 G CA -1.422 43.730 45.100 0.087 0.000 0.984 264 G HN 0.616 8.877 8.290 -0.048 0.000 0.444 265 I N 6.949 127.592 120.570 0.123 0.000 2.648 265 I HA 0.141 nan 4.170 nan 0.000 0.284 265 I C -1.291 174.866 176.117 0.067 0.000 1.153 265 I CA 0.315 61.673 61.300 0.097 0.000 1.426 265 I CB 0.658 38.692 38.000 0.057 0.000 1.381 265 I HN 0.871 9.020 8.210 0.093 0.116 0.571 266 L N 6.850 128.083 121.223 0.018 0.000 2.516 266 L HA 0.555 nan 4.340 nan 0.000 0.267 266 L C -2.345 174.461 176.870 -0.106 0.000 0.957 266 L CA -0.663 54.124 54.840 -0.088 0.000 0.860 266 L CB 4.049 45.956 42.059 -0.253 0.000 1.265 266 L HN 0.294 8.542 8.230 0.031 0.000 0.403 267 K N 6.512 126.835 120.400 -0.128 0.000 2.350 267 K HA -0.080 nan 4.320 nan 0.000 0.279 267 K C 0.012 176.540 176.600 -0.121 0.000 1.027 267 K CA 0.434 56.617 56.287 -0.174 0.000 0.969 267 K CB 0.778 33.081 32.500 -0.328 0.000 0.954 267 K HN 0.497 9.051 8.250 -0.132 -0.383 0.474 268 A N 2.225 125.041 122.820 -0.005 0.000 2.194 268 A HA -0.241 nan 4.320 nan 0.000 0.220 268 A C -1.223 176.604 177.584 0.404 0.000 1.162 268 A CA 2.211 54.401 52.037 0.255 0.000 0.674 268 A CB 0.585 19.827 19.000 0.404 0.000 0.789 268 A HN 0.602 8.751 8.150 -0.000 0.000 0.470 269 Y N -8.584 111.835 120.300 0.197 0.000 2.744 269 Y HA 0.694 nan 4.550 nan 0.000 0.330 269 Y C -2.450 173.568 175.900 0.197 0.000 1.263 269 Y CA -3.700 54.530 58.100 0.216 0.000 1.065 269 Y CB 2.210 40.748 38.460 0.129 0.000 1.306 269 Y HN -0.951 7.045 8.280 -0.345 0.077 0.459 270 S N 0.185 116.078 115.700 0.321 0.000 2.537 270 S HA 0.426 nan 4.470 nan 0.000 0.301 270 S C -1.394 173.441 174.600 0.391 0.000 1.092 270 S CA -1.043 57.354 58.200 0.329 0.000 1.048 270 S CB 2.633 66.221 63.200 0.648 0.000 1.053 270 S HN 0.771 9.263 8.310 0.480 0.105 0.501 271 T N -1.726 112.942 114.554 0.189 0.000 2.900 271 T HA 0.411 nan 4.350 nan 0.000 0.303 271 T C -2.389 172.229 174.700 -0.136 0.000 1.142 271 T CA -1.719 60.450 62.100 0.115 0.000 1.007 271 T CB 2.980 71.898 68.868 0.084 0.000 1.156 271 T HN 0.230 8.550 8.240 0.134 0.000 0.490 272 R N 2.104 122.454 120.500 -0.250 0.000 2.533 272 R HA 0.540 nan 4.340 nan 0.000 0.288 272 R C -1.982 174.186 176.300 -0.220 0.000 1.039 272 R CA -0.603 55.221 56.100 -0.460 0.000 0.909 272 R CB 4.268 33.937 30.300 -1.052 0.000 1.195 272 R HN 0.298 8.544 8.270 -0.041 0.000 0.438 273 V N 1.179 120.995 119.914 -0.164 0.000 2.383 273 V HA 0.744 nan 4.120 nan 0.000 0.275 273 V C -0.245 175.782 176.094 -0.112 0.000 1.036 273 V CA -2.420 59.825 62.300 -0.092 0.000 0.889 273 V CB -0.374 31.427 31.823 -0.037 0.000 0.985 273 V HN 0.611 8.703 8.190 -0.163 0.000 0.459 274 G N 5.727 114.474 108.800 -0.089 0.000 2.756 274 G HA2 -0.298 nan 3.960 nan 0.000 0.678 274 G HA3 -0.298 nan 3.960 nan 0.000 0.678 274 G C -1.624 173.189 174.900 -0.145 0.000 1.349 274 G CA -0.913 44.137 45.100 -0.083 0.000 0.847 274 G HN -0.248 8.002 8.290 -0.068 0.000 0.548 275 A N -0.083 122.668 122.820 -0.115 0.000 2.507 275 A HA 0.108 nan 4.320 nan 0.000 0.235 275 A C 0.023 177.290 177.584 -0.528 0.000 1.070 275 A CA 1.069 52.964 52.037 -0.237 0.000 0.768 275 A CB 0.193 19.151 19.000 -0.071 0.000 1.011 275 A HN 0.378 8.502 8.150 -0.043 0.000 0.502 276 G N -0.156 108.121 108.800 -0.872 0.000 2.337 276 G HA2 -0.085 nan 3.960 nan 0.000 0.310 276 G HA3 -0.085 nan 3.960 nan 0.000 0.310 276 G C -3.266 171.233 174.900 -0.668 0.000 1.534 276 G CA -0.499 43.966 45.100 -1.060 0.000 0.982 276 G HN -0.491 7.388 8.290 -0.686 0.000 0.672 277 P HA 0.206 nan 4.420 nan 0.000 0.269 277 P C -2.088 175.057 177.300 -0.258 0.000 1.215 277 P CA -0.041 62.859 63.100 -0.335 0.000 0.780 277 P CB 0.682 32.032 31.700 -0.583 0.000 0.898 278 F N -0.211 119.636 119.950 -0.171 0.000 3.015 278 F HA 0.194 nan 4.527 nan 0.000 0.415 278 F C -2.224 173.615 175.800 0.065 0.000 1.185 278 F CA -3.268 54.646 58.000 -0.143 0.000 1.188 278 F CB -0.039 38.765 39.000 -0.328 0.000 2.558 278 F HN 0.023 8.435 8.300 0.186 0.000 0.587 279 P HA -0.155 nan 4.420 nan 0.000 0.223 279 P C -0.356 177.037 177.300 0.156 0.000 1.140 279 P CA 1.759 64.972 63.100 0.188 0.000 0.783 279 P CB -0.013 31.669 31.700 -0.030 0.000 0.759 280 T N -1.645 113.010 114.554 0.169 0.000 3.085 280 T HA 0.112 nan 4.350 nan 0.000 0.264 280 T C -0.970 173.486 174.700 -0.406 0.000 1.019 280 T CA -0.494 61.694 62.100 0.148 0.000 0.910 280 T CB -0.362 68.767 68.868 0.436 0.000 1.059 280 T HN -0.246 8.123 8.240 0.324 0.066 0.542 281 E N 2.417 122.038 120.200 -0.965 0.000 2.452 281 E HA -0.149 nan 4.350 nan 0.000 0.261 281 E C -0.446 175.627 176.600 -0.877 0.000 0.987 281 E CA 0.720 56.354 56.400 -1.276 0.000 0.926 281 E CB 0.661 29.641 29.700 -1.200 0.000 0.934 281 E HN -0.118 7.666 8.360 -0.782 0.106 0.452 282 L N 4.913 125.642 121.223 -0.823 0.000 2.357 282 L HA 0.114 nan 4.340 nan 0.000 0.273 282 L C -0.372 176.031 176.870 -0.778 0.000 1.080 282 L CA -0.307 54.153 54.840 -0.633 0.000 0.803 282 L CB 0.935 42.674 42.059 -0.534 0.000 1.174 282 L HN 0.415 8.170 8.230 -0.792 0.000 0.443 283 F N -0.942 118.930 119.950 -0.129 0.000 2.772 283 F HA 0.181 nan 4.527 nan 0.000 0.316 283 F C -0.510 175.245 175.800 -0.076 0.000 1.114 283 F CA -0.470 57.474 58.000 -0.093 0.000 1.191 283 F CB 0.887 39.846 39.000 -0.068 0.000 1.065 283 F HN 0.203 8.452 8.300 -0.085 0.000 0.534 284 D N -0.238 120.167 120.400 0.009 0.000 2.589 284 D HA 0.130 nan 4.640 nan 0.000 0.268 284 D C 1.224 177.495 176.300 -0.048 0.000 1.182 284 D CA -1.095 52.902 54.000 -0.006 0.000 1.087 284 D CB 0.717 41.513 40.800 -0.007 0.000 1.186 284 D HN -0.428 7.836 8.370 -0.079 0.058 0.620 285 E N -2.591 117.578 120.200 -0.051 0.000 2.274 285 E HA -0.082 nan 4.350 nan 0.000 0.194 285 E C 2.140 178.696 176.600 -0.073 0.000 0.996 285 E CA 1.719 58.080 56.400 -0.065 0.000 0.840 285 E CB -0.312 29.339 29.700 -0.081 0.000 0.772 285 E HN 0.394 8.730 8.360 -0.041 0.000 0.491 286 T N 2.582 117.081 114.554 -0.092 0.000 2.777 286 T HA -0.176 nan 4.350 nan 0.000 0.266 286 T C 1.733 176.310 174.700 -0.206 0.000 1.040 286 T CA 4.488 66.520 62.100 -0.113 0.000 1.141 286 T CB -0.500 68.269 68.868 -0.164 0.000 0.868 286 T HN 0.136 8.541 8.240 -0.085 -0.216 0.444 287 G N 0.812 109.453 108.800 -0.266 0.000 2.442 287 G HA2 -0.334 nan 3.960 nan 0.000 0.219 287 G HA3 -0.334 nan 3.960 nan 0.000 0.219 287 G C 1.065 175.858 174.900 -0.179 0.000 1.141 287 G CA 2.133 47.057 45.100 -0.293 0.000 0.763 287 G HN -0.345 7.996 8.290 -0.241 -0.196 0.554 288 E N 2.474 122.617 120.200 -0.096 0.000 2.158 288 E HA -0.171 nan 4.350 nan 0.000 0.191 288 E C 1.594 178.203 176.600 0.015 0.000 0.982 288 E CA 1.596 57.974 56.400 -0.038 0.000 0.823 288 E CB -0.334 29.358 29.700 -0.012 0.000 0.766 288 E HN -0.651 7.551 8.360 -0.092 0.103 0.468 289 F N 1.221 121.061 119.950 -0.183 0.000 2.146 289 F HA -0.170 nan 4.527 nan 0.000 0.298 289 F C 1.592 177.238 175.800 -0.256 0.000 1.096 289 F CA 2.318 60.204 58.000 -0.191 0.000 1.275 289 F CB 0.117 39.004 39.000 -0.188 0.000 1.008 289 F HN -0.416 7.849 8.300 0.096 0.092 0.480 290 L N -1.599 119.420 121.223 -0.341 0.000 2.056 290 L HA -0.467 nan 4.340 nan 0.000 0.207 290 L C 2.149 178.745 176.870 -0.456 0.000 1.078 290 L CA 3.221 57.699 54.840 -0.602 0.000 0.749 290 L CB -0.673 40.987 42.059 -0.665 0.000 0.901 290 L HN 0.247 8.346 8.230 -0.219 0.000 0.433 291 C N -0.658 118.484 119.300 -0.265 0.000 2.440 291 C HA -0.514 nan 4.460 nan 0.000 0.282 291 C C 2.051 176.899 174.990 -0.236 0.000 1.223 291 C CA 4.342 63.253 59.018 -0.179 0.000 1.744 291 C CB -1.674 26.007 27.740 -0.098 0.000 2.061 291 C HN -0.269 7.824 8.230 -0.229 0.000 0.456 292 K N -1.306 118.995 120.400 -0.165 0.000 2.001 292 K HA -0.443 nan 4.320 nan 0.000 0.214 292 K C 3.066 179.527 176.600 -0.233 0.000 1.050 292 K CA 3.647 59.858 56.287 -0.127 0.000 0.934 292 K CB -0.225 32.279 32.500 0.008 0.000 0.718 292 K HN 0.013 8.198 8.250 -0.107 0.000 0.443 293 Q N -1.888 117.711 119.800 -0.335 0.000 2.135 293 Q HA -0.214 nan 4.340 nan 0.000 0.204 293 Q C 2.287 178.088 176.000 -0.331 0.000 0.981 293 Q CA 2.571 58.129 55.803 -0.408 0.000 0.856 293 Q CB -0.206 28.083 28.738 -0.748 0.000 0.902 293 Q HN 0.123 8.046 8.270 -0.393 0.111 0.425 294 G N -4.050 104.547 108.800 -0.337 0.000 3.088 294 G HA2 -0.064 nan 3.960 nan 0.000 0.212 294 G HA3 -0.064 nan 3.960 nan 0.000 0.212 294 G C -1.004 173.751 174.900 -0.242 0.000 1.173 294 G CA -0.715 44.271 45.100 -0.191 0.000 0.779 294 G HN -0.188 7.864 8.290 -0.397 0.000 0.540 295 N N -1.829 116.611 118.700 -0.435 0.000 2.667 295 N HA -0.457 nan 4.740 nan 0.000 0.263 295 N C -0.501 174.501 175.510 -0.847 0.000 1.038 295 N CA 1.422 53.949 53.050 -0.871 0.000 0.749 295 N CB -1.463 36.757 38.487 -0.446 0.000 0.892 295 N HN 0.035 7.962 8.380 -0.405 0.210 0.546 296 E N -3.808 115.985 120.200 -0.677 0.000 2.465 296 E HA 0.093 nan 4.350 nan 0.000 0.195 296 E C 0.477 176.952 176.600 -0.209 0.000 1.028 296 E CA -0.957 55.255 56.400 -0.314 0.000 0.899 296 E CB 0.166 29.803 29.700 -0.105 0.000 1.032 296 E HN -0.253 7.734 8.360 -0.622 0.000 0.468 297 F N -1.290 118.664 119.950 0.008 0.000 2.626 297 F HA -0.046 nan 4.527 nan 0.000 0.368 297 F C 0.916 176.720 175.800 0.006 0.000 1.227 297 F CA -2.843 55.159 58.000 0.003 0.000 1.302 297 F CB -2.752 36.247 39.000 -0.002 0.000 1.733 297 F HN -0.451 6.839 8.300 -1.559 0.075 0.672 298 G N 0.134 109.046 108.800 0.187 0.000 2.233 298 G HA2 -0.446 nan 3.960 nan 0.000 0.270 298 G HA3 -0.446 nan 3.960 nan 0.000 0.270 298 G C 0.296 175.295 174.900 0.164 0.000 1.011 298 G CA 0.484 45.665 45.100 0.137 0.000 0.762 298 G HN 0.161 8.450 8.290 0.106 0.064 0.511 299 A N 0.302 123.254 122.820 0.221 0.000 1.849 299 A HA -0.224 nan 4.320 nan 0.000 0.217 299 A C 1.088 178.740 177.584 0.113 0.000 1.202 299 A CA 2.648 54.819 52.037 0.222 0.000 0.629 299 A CB -0.779 18.334 19.000 0.189 0.000 0.834 299 A HN 0.217 8.438 8.150 0.192 0.044 0.447 300 T N -5.437 109.156 114.554 0.066 0.000 2.770 300 T HA -0.060 nan 4.350 nan 0.000 0.263 300 T C 0.517 175.248 174.700 0.051 0.000 1.039 300 T CA 0.978 63.104 62.100 0.043 0.000 1.142 300 T CB 0.471 69.350 68.868 0.017 0.000 0.868 300 T HN 0.220 8.488 8.240 0.048 0.000 0.435 301 T N 1.985 116.569 114.554 0.050 0.000 3.999 301 T HA 0.086 nan 4.350 nan 0.000 0.257 301 T C -1.048 173.674 174.700 0.038 0.000 0.606 301 T CA 0.443 62.572 62.100 0.048 0.000 0.973 301 T CB 0.512 69.409 68.868 0.047 0.000 1.182 301 T HN -0.223 8.047 8.240 0.049 0.000 0.494 302 G N 4.130 112.956 108.800 0.044 0.000 2.413 302 G HA2 0.364 nan 3.960 nan 0.000 0.285 302 G HA3 0.364 nan 3.960 nan 0.000 0.285 302 G C -1.059 173.864 174.900 0.038 0.000 1.337 302 G CA 0.084 45.205 45.100 0.035 0.000 1.324 302 G HN -0.541 7.781 8.290 0.054 0.000 0.611 303 R N 0.219 120.732 120.500 0.022 0.000 2.299 303 R HA -0.024 nan 4.340 nan 0.000 0.197 303 R C -0.306 176.005 176.300 0.018 0.000 0.971 303 R CA 0.947 57.059 56.100 0.019 0.000 1.030 303 R CB 0.223 30.529 30.300 0.010 0.000 0.932 303 R HN 0.137 8.414 8.270 0.013 0.000 0.477 304 R N -0.182 120.326 120.500 0.014 0.000 3.119 304 R HA 0.067 nan 4.340 nan 0.000 0.294 304 R C -2.733 173.568 176.300 0.002 0.000 1.267 304 R CA 0.164 56.270 56.100 0.010 0.000 1.078 304 R CB 0.746 31.045 30.300 -0.002 0.000 1.320 304 R HN -0.518 7.704 8.270 0.011 0.054 0.380 305 R N 5.288 125.798 120.500 0.017 0.000 2.278 305 R HA 0.312 nan 4.340 nan 0.000 0.322 305 R C -0.229 176.088 176.300 0.028 0.000 1.058 305 R CA -0.964 55.145 56.100 0.015 0.000 0.991 305 R CB 0.275 30.589 30.300 0.023 0.000 1.140 305 R HN 0.407 8.695 8.270 0.030 0.000 0.518 306 R N 5.658 126.185 120.500 0.044 0.000 2.707 306 R HA 0.188 nan 4.340 nan 0.000 0.270 306 R C -1.348 175.075 176.300 0.206 0.000 1.083 306 R CA 0.122 56.275 56.100 0.088 0.000 1.182 306 R CB 1.369 31.770 30.300 0.167 0.000 1.084 306 R HN 0.630 8.810 8.270 0.015 0.099 0.528 307 T N -4.693 109.910 114.554 0.081 0.000 2.896 307 T HA 0.754 nan 4.350 nan 0.000 0.297 307 T C -1.619 172.969 174.700 -0.187 0.000 1.108 307 T CA -1.995 60.178 62.100 0.121 0.000 1.004 307 T CB 3.744 72.614 68.868 0.004 0.000 1.159 307 T HN 0.291 8.462 8.240 -0.115 0.000 0.499 308 G N 0.010 108.801 108.800 -0.016 0.000 2.600 308 G HA2 0.709 nan 3.960 nan 0.000 0.293 308 G HA3 0.709 nan 3.960 nan 0.000 0.293 308 G C -2.286 172.630 174.900 0.026 0.000 1.408 308 G CA 0.002 44.949 45.100 -0.255 0.000 0.782 308 G HN 0.300 8.679 8.290 0.311 0.098 0.482 309 W N -2.031 119.379 121.300 0.184 0.000 1.975 309 W HA 0.145 nan 4.660 nan 0.000 0.359 309 W C 0.137 176.865 176.519 0.347 0.000 1.363 309 W CA -0.402 57.097 57.345 0.257 0.000 1.376 309 W CB 0.858 30.473 29.460 0.258 0.000 1.231 309 W HN -0.251 7.918 8.180 -0.019 0.000 0.641 310 L N 0.324 121.929 121.223 0.637 0.000 2.410 310 L HA -0.021 nan 4.340 nan 0.000 0.273 310 L C -1.265 175.827 176.870 0.370 0.000 1.152 310 L CA 0.092 55.186 54.840 0.424 0.000 0.855 310 L CB 0.337 42.607 42.059 0.351 0.000 1.129 310 L HN 0.128 8.784 8.230 0.711 0.000 0.463 311 D N 7.713 128.299 120.400 0.309 0.000 2.639 311 D HA 0.153 nan 4.640 nan 0.000 0.233 311 D C 0.474 176.856 176.300 0.137 0.000 1.161 311 D CA -0.692 53.480 54.000 0.287 0.000 1.003 311 D CB 0.371 41.423 40.800 0.419 0.000 1.034 311 D HN 0.455 8.994 8.370 0.281 0.000 0.514 312 T N 4.846 119.451 114.554 0.084 0.000 2.721 312 T HA -0.398 nan 4.350 nan 0.000 0.268 312 T C 1.629 176.316 174.700 -0.021 0.000 1.038 312 T CA 4.326 66.434 62.100 0.013 0.000 1.145 312 T CB -0.073 68.800 68.868 0.008 0.000 0.858 312 T HN -0.008 8.305 8.240 0.121 0.000 0.459 313 V N 0.271 120.141 119.914 -0.073 0.000 2.358 313 V HA -0.316 nan 4.120 nan 0.000 0.246 313 V C 1.607 177.656 176.094 -0.074 0.000 1.047 313 V CA 4.180 66.363 62.300 -0.195 0.000 1.035 313 V CB -0.896 30.572 31.823 -0.593 0.000 0.658 313 V HN -0.185 8.042 8.190 -0.050 -0.067 0.452 314 A N -1.007 121.850 122.820 0.062 0.000 2.016 314 A HA -0.135 nan 4.320 nan 0.000 0.217 314 A C 2.144 179.739 177.584 0.018 0.000 1.162 314 A CA 3.012 55.125 52.037 0.127 0.000 0.662 314 A CB -0.598 18.526 19.000 0.206 0.000 0.812 314 A HN -0.402 7.986 8.150 0.108 -0.173 0.450 315 V N 0.046 119.963 119.914 0.004 0.000 2.591 315 V HA -0.384 nan 4.120 nan 0.000 0.249 315 V C 1.856 177.987 176.094 0.061 0.000 1.053 315 V CA 3.911 66.213 62.300 0.003 0.000 1.068 315 V CB -0.898 30.895 31.823 -0.049 0.000 0.689 315 V HN 0.478 8.599 8.190 0.020 0.081 0.462 316 R N -0.555 119.965 120.500 0.033 0.000 2.091 316 R HA -0.401 nan 4.340 nan 0.000 0.238 316 R C 1.787 178.094 176.300 0.013 0.000 1.136 316 R CA 3.851 59.967 56.100 0.026 0.000 0.959 316 R CB -0.128 30.165 30.300 -0.013 0.000 0.856 316 R HN 0.263 8.431 8.270 0.010 0.109 0.437 317 R N -1.201 119.308 120.500 0.014 0.000 2.073 317 R HA -0.287 nan 4.340 nan 0.000 0.234 317 R C 1.788 178.086 176.300 -0.003 0.000 1.134 317 R CA 2.434 58.544 56.100 0.016 0.000 0.952 317 R CB -0.739 29.597 30.300 0.060 0.000 0.850 317 R HN -0.741 7.539 8.270 0.017 0.000 0.433 318 A N -2.145 120.674 122.820 -0.003 0.000 2.032 318 A HA -0.253 nan 4.320 nan 0.000 0.221 318 A C 2.405 179.974 177.584 -0.025 0.000 1.165 318 A CA 2.950 54.977 52.037 -0.016 0.000 0.645 318 A CB -0.923 18.068 19.000 -0.014 0.000 0.807 318 A HN -0.411 7.738 8.150 -0.000 0.000 0.453 319 V N -1.385 118.520 119.914 -0.016 0.000 2.307 319 V HA -0.523 nan 4.120 nan 0.000 0.245 319 V C 2.162 178.197 176.094 -0.098 0.000 1.045 319 V CA 4.412 66.665 62.300 -0.077 0.000 1.024 319 V CB -0.824 30.957 31.823 -0.070 0.000 0.651 319 V HN -0.388 7.690 8.190 0.019 0.123 0.449 320 Q N -1.510 118.244 119.800 -0.076 0.000 2.061 320 Q HA -0.325 nan 4.340 nan 0.000 0.204 320 Q C 2.428 178.358 176.000 -0.116 0.000 0.984 320 Q CA 2.987 58.736 55.803 -0.089 0.000 0.846 320 Q CB -0.473 28.223 28.738 -0.069 0.000 0.902 320 Q HN -0.635 7.604 8.270 -0.052 0.000 0.421 321 L N -2.697 118.455 121.223 -0.119 0.000 2.012 321 L HA -0.298 nan 4.340 nan 0.000 0.210 321 L C 1.504 178.291 176.870 -0.138 0.000 1.073 321 L CA 2.464 57.209 54.840 -0.158 0.000 0.748 321 L CB 0.001 41.983 42.059 -0.128 0.000 0.891 321 L HN -0.279 7.897 8.230 -0.090 0.000 0.431 322 N N -3.493 115.137 118.700 -0.116 0.000 2.280 322 N HA -0.015 nan 4.740 nan 0.000 0.192 322 N C -0.146 175.274 175.510 -0.150 0.000 1.109 322 N CA 0.353 53.331 53.050 -0.119 0.000 0.855 322 N CB 0.848 39.276 38.487 -0.098 0.000 0.974 322 N HN -0.622 7.696 8.380 -0.105 0.000 0.482 323 S N -2.122 113.486 115.700 -0.153 0.000 3.628 323 S HA -0.506 nan 4.470 nan 0.000 0.373 323 S C -0.175 174.294 174.600 -0.218 0.000 0.968 323 S CA 1.090 59.189 58.200 -0.169 0.000 1.215 323 S CB -2.352 60.756 63.200 -0.154 0.000 0.912 323 S HN -0.226 7.851 8.310 -0.140 0.148 0.495 324 L N -1.867 119.208 121.223 -0.246 0.000 2.499 324 L HA -0.204 nan 4.340 nan 0.000 0.281 324 L C 0.987 177.607 176.870 -0.416 0.000 1.234 324 L CA 1.318 55.954 54.840 -0.341 0.000 0.839 324 L CB 0.465 42.276 42.059 -0.413 0.000 1.104 324 L HN -0.604 7.497 8.230 -0.214 0.000 0.500 325 S N -0.386 114.976 115.700 -0.563 0.000 2.566 325 S HA 0.230 nan 4.470 nan 0.000 0.234 325 S C -0.124 174.137 174.600 -0.565 0.000 1.075 325 S CA 0.799 58.606 58.200 -0.655 0.000 0.926 325 S CB 2.071 64.579 63.200 -1.153 0.000 0.811 325 S HN 0.275 8.227 8.310 -0.597 0.000 0.518 326 G N -0.224 108.243 108.800 -0.556 0.000 2.698 326 G HA2 0.281 nan 3.960 nan 0.000 0.293 326 G HA3 0.281 nan 3.960 nan 0.000 0.293 326 G C -2.996 171.744 174.900 -0.267 0.000 1.437 326 G CA 0.238 45.152 45.100 -0.310 0.000 0.852 326 G HN -0.834 7.091 8.290 -0.608 0.000 0.499 327 F N -0.391 119.548 119.950 -0.018 0.000 2.403 327 F HA 0.877 nan 4.527 nan 0.000 0.326 327 F C -1.179 174.628 175.800 0.011 0.000 1.099 327 F CA -2.199 55.792 58.000 -0.015 0.000 1.036 327 F CB 3.488 42.468 39.000 -0.033 0.000 1.336 327 F HN 0.442 8.713 8.300 -0.049 0.000 0.497 328 C N 1.292 120.747 119.300 0.258 0.000 2.789 328 C HA 0.509 nan 4.460 nan 0.000 0.324 328 C C -1.748 173.295 174.990 0.089 0.000 1.042 328 C CA -1.475 57.623 59.018 0.133 0.000 1.396 328 C CB 0.390 28.189 27.740 0.098 0.000 1.870 328 C HN 0.215 8.633 8.230 0.313 0.000 0.470 329 L N 9.300 130.562 121.223 0.066 0.000 2.462 329 L HA 0.263 nan 4.340 nan 0.000 0.272 329 L C -2.058 174.842 176.870 0.050 0.000 1.166 329 L CA 0.791 55.648 54.840 0.028 0.000 0.880 329 L CB 1.486 43.558 42.059 0.023 0.000 1.142 329 L HN -0.155 8.122 8.230 0.078 0.000 0.473 330 T N 8.368 122.948 114.554 0.044 0.000 2.887 330 T HA 0.448 nan 4.350 nan 0.000 0.288 330 T C -0.806 173.952 174.700 0.097 0.000 1.021 330 T CA -0.670 61.463 62.100 0.055 0.000 1.000 330 T CB 1.667 70.547 68.868 0.020 0.000 1.034 330 T HN 0.076 8.327 8.240 0.018 0.000 0.467 331 K N 3.131 123.607 120.400 0.127 0.000 3.069 331 K HA -0.462 nan 4.320 nan 0.000 0.267 331 K C 0.941 177.705 176.600 0.273 0.000 1.082 331 K CA 1.580 57.988 56.287 0.202 0.000 0.782 331 K CB -1.630 31.008 32.500 0.231 0.000 1.230 331 K HN 0.728 9.041 8.250 0.105 0.000 0.488 332 L N -1.235 120.145 121.223 0.263 0.000 2.191 332 L HA -0.330 nan 4.340 nan 0.000 0.212 332 L C 0.479 177.559 176.870 0.349 0.000 1.103 332 L CA 3.272 58.325 54.840 0.355 0.000 0.769 332 L CB -0.060 42.212 42.059 0.356 0.000 0.908 332 L HN -0.209 8.146 8.230 0.209 0.000 0.438 333 D N -1.065 119.511 120.400 0.295 0.000 2.228 333 D HA -0.362 nan 4.640 nan 0.000 0.203 333 D C 2.246 178.641 176.300 0.159 0.000 0.988 333 D CA 2.780 56.959 54.000 0.298 0.000 0.864 333 D CB -1.145 39.912 40.800 0.428 0.000 0.928 333 D HN 0.336 8.845 8.370 0.264 0.019 0.469 334 V N -0.601 119.375 119.914 0.104 0.000 3.078 334 V HA -0.200 nan 4.120 nan 0.000 0.265 334 V C 0.675 176.625 176.094 -0.240 0.000 1.122 334 V CA 1.816 64.054 62.300 -0.103 0.000 1.141 334 V CB -0.653 31.124 31.823 -0.076 0.000 0.735 334 V HN -0.458 7.690 8.190 0.188 0.154 0.498 335 L N -5.369 115.788 121.223 -0.110 0.000 2.607 335 L HA 0.180 nan 4.340 nan 0.000 0.228 335 L C -0.370 176.233 176.870 -0.445 0.000 1.123 335 L CA -0.554 54.121 54.840 -0.276 0.000 0.890 335 L CB 0.272 42.170 42.059 -0.268 0.000 1.103 335 L HN -0.114 7.983 8.230 0.062 0.171 0.468 336 D N 0.087 120.350 120.400 -0.228 0.000 2.493 336 D HA -0.223 nan 4.640 nan 0.000 0.240 336 D C 1.156 177.361 176.300 -0.158 0.000 1.142 336 D CA 2.501 56.377 54.000 -0.207 0.000 0.872 336 D CB -0.308 40.545 40.800 0.088 0.000 1.173 336 D HN -0.793 7.540 8.370 -0.061 0.000 0.467 337 G N 3.075 111.772 108.800 -0.173 0.000 2.213 337 G HA2 -0.513 nan 3.960 nan 0.000 0.236 337 G HA3 -0.513 nan 3.960 nan 0.000 0.236 337 G C -0.476 174.393 174.900 -0.052 0.000 0.991 337 G CA -0.142 44.937 45.100 -0.036 0.000 0.629 337 G HN 0.800 8.823 8.290 -0.269 0.105 0.517 338 L N 1.055 122.187 121.223 -0.151 0.000 2.455 338 L HA -0.107 nan 4.340 nan 0.000 0.272 338 L C 0.517 177.305 176.870 -0.137 0.000 1.174 338 L CA -0.014 54.763 54.840 -0.104 0.000 0.869 338 L CB 0.224 42.203 42.059 -0.132 0.000 1.130 338 L HN -0.539 7.442 8.230 -0.305 0.066 0.474 339 K N 1.745 122.097 120.400 -0.080 0.000 2.283 339 K HA -0.279 nan 4.320 nan 0.000 0.202 339 K C 0.033 176.588 176.600 -0.076 0.000 1.048 339 K CA 1.991 58.238 56.287 -0.066 0.000 0.948 339 K CB 0.550 33.019 32.500 -0.052 0.000 0.742 339 K HN 0.342 8.555 8.250 -0.062 0.000 0.458 340 E N -3.718 116.419 120.200 -0.104 0.000 2.378 340 E HA 0.255 nan 4.350 nan 0.000 0.283 340 E C -1.747 174.704 176.600 -0.248 0.000 0.979 340 E CA -1.117 55.197 56.400 -0.144 0.000 0.795 340 E CB 2.946 32.577 29.700 -0.114 0.000 1.221 340 E HN -0.803 7.478 8.360 -0.088 0.026 0.428 341 V N -0.252 119.447 119.914 -0.358 0.000 2.715 341 V HA 0.575 nan 4.120 nan 0.000 0.310 341 V C -1.888 173.764 176.094 -0.736 0.000 1.054 341 V CA -2.686 59.243 62.300 -0.618 0.000 0.928 341 V CB 2.203 33.703 31.823 -0.539 0.000 1.007 341 V HN 1.108 9.141 8.190 -0.261 0.000 0.437 342 K N 1.867 121.506 120.400 -1.268 0.000 2.328 342 K HA 0.906 nan 4.320 nan 0.000 0.246 342 K C -1.430 174.990 176.600 -0.299 0.000 0.955 342 K CA -1.025 54.735 56.287 -0.877 0.000 0.817 342 K CB 2.877 34.489 32.500 -1.480 0.000 1.208 342 K HN 0.127 7.152 8.250 -2.041 0.000 0.432 343 L N -3.481 117.781 121.223 0.064 0.000 2.409 343 L HA 0.815 nan 4.340 nan 0.000 0.272 343 L C -1.423 175.603 176.870 0.260 0.000 0.980 343 L CA -2.075 52.918 54.840 0.256 0.000 0.826 343 L CB 2.606 44.815 42.059 0.249 0.000 1.268 343 L HN 0.113 8.364 8.230 0.036 0.000 0.407 344 C N 4.978 124.438 119.300 0.266 0.000 2.585 344 C HA 0.400 nan 4.460 nan 0.000 0.406 344 C C 0.310 175.307 174.990 0.012 0.000 1.312 344 C CA 0.243 59.286 59.018 0.041 0.000 1.924 344 C CB 0.446 28.213 27.740 0.046 0.000 2.578 344 C HN 0.807 9.241 8.230 0.339 0.000 0.580 345 V N 0.847 120.732 119.914 -0.049 0.000 3.562 345 V HA 0.511 nan 4.120 nan 0.000 0.270 345 V C -1.798 174.220 176.094 -0.127 0.000 1.418 345 V CA -0.441 61.822 62.300 -0.062 0.000 1.033 345 V CB 1.941 33.748 31.823 -0.027 0.000 0.820 345 V HN 0.927 9.067 8.190 -0.084 0.000 0.441 346 A N -1.195 121.545 122.820 -0.134 0.000 2.602 346 A HA 0.755 nan 4.320 nan 0.000 0.290 346 A C -2.877 174.682 177.584 -0.041 0.000 1.114 346 A CA -0.248 51.692 52.037 -0.161 0.000 0.683 346 A CB 2.693 21.647 19.000 -0.077 0.000 1.281 346 A HN -0.773 7.316 8.150 -0.103 0.000 0.416 347 Y N -2.211 118.036 120.300 -0.088 0.000 2.393 347 Y HA 0.697 nan 4.550 nan 0.000 0.341 347 Y C -1.886 173.963 175.900 -0.085 0.000 0.988 347 Y CA -3.103 54.934 58.100 -0.105 0.000 1.078 347 Y CB 3.965 42.332 38.460 -0.156 0.000 1.203 347 Y HN 1.138 9.241 8.280 -0.096 0.120 0.453 348 R N 3.819 124.379 120.500 0.100 0.000 2.229 348 R HA 0.651 nan 4.340 nan 0.000 0.332 348 R C -1.044 175.262 176.300 0.010 0.000 0.989 348 R CA -1.547 54.576 56.100 0.039 0.000 0.842 348 R CB 1.311 31.629 30.300 0.029 0.000 1.119 348 R HN 1.280 9.469 8.270 0.092 0.136 0.456 349 M N 7.223 126.825 119.600 0.002 0.000 2.255 349 M HA 0.352 nan 4.480 nan 0.000 0.336 349 M C -0.594 175.700 176.300 -0.010 0.000 1.135 349 M CA -2.509 52.780 55.300 -0.019 0.000 1.145 349 M CB -1.153 31.437 32.600 -0.018 0.000 1.473 349 M HN 1.074 9.263 8.290 0.010 0.107 0.462 350 P HA -0.193 nan 4.420 nan 0.000 0.226 350 P C -1.164 176.138 177.300 0.004 0.000 1.146 350 P CA 2.119 65.219 63.100 -0.001 0.000 0.773 350 P CB -0.640 31.061 31.700 0.003 0.000 0.772 351 D N -4.255 116.146 120.400 0.002 0.000 2.339 351 D HA -0.072 nan 4.640 nan 0.000 0.217 351 D C 1.302 177.605 176.300 0.005 0.000 1.050 351 D CA -0.653 53.350 54.000 0.005 0.000 0.856 351 D CB -0.827 39.976 40.800 0.005 0.000 0.922 351 D HN -0.318 7.994 8.370 -0.002 0.057 0.518 352 G N 1.108 109.910 108.800 0.005 0.000 2.195 352 G HA2 -0.351 nan 3.960 nan 0.000 0.246 352 G HA3 -0.351 nan 3.960 nan 0.000 0.246 352 G C -0.966 173.938 174.900 0.006 0.000 0.984 352 G CA 0.048 45.151 45.100 0.006 0.000 0.633 352 G HN 0.302 8.422 8.290 0.004 0.172 0.525 353 R N 0.955 121.457 120.500 0.004 0.000 2.500 353 R HA 0.139 nan 4.340 nan 0.000 0.275 353 R C -1.531 174.772 176.300 0.005 0.000 1.051 353 R CA -0.444 55.658 56.100 0.003 0.000 1.088 353 R CB 1.233 31.533 30.300 0.000 0.000 1.063 353 R HN -0.655 7.764 8.270 0.003 -0.147 0.511 354 E N 0.692 120.894 120.200 0.003 0.000 2.191 354 E HA 0.649 nan 4.350 nan 0.000 0.278 354 E C -1.025 175.571 176.600 -0.008 0.000 0.972 354 E CA -0.625 55.778 56.400 0.004 0.000 0.804 354 E CB 1.833 31.535 29.700 0.003 0.000 1.110 354 E HN 0.100 8.460 8.360 0.001 0.000 0.394 355 V N 3.165 123.071 119.914 -0.013 0.000 2.925 355 V HA 0.320 nan 4.120 nan 0.000 0.311 355 V C -0.371 175.659 176.094 -0.107 0.000 1.104 355 V CA -0.844 61.430 62.300 -0.043 0.000 0.954 355 V CB 4.195 36.002 31.823 -0.028 0.000 1.022 355 V HN 1.161 9.234 8.190 0.008 0.122 0.427 356 T N 0.149 114.633 114.554 -0.117 0.000 3.092 356 T HA 0.220 nan 4.350 nan 0.000 0.258 356 T C -1.503 173.084 174.700 -0.187 0.000 1.031 356 T CA 0.097 62.096 62.100 -0.168 0.000 0.925 356 T CB 0.540 69.343 68.868 -0.108 0.000 1.036 356 T HN 0.335 8.525 8.240 -0.083 0.000 0.544 357 T N -3.227 111.232 114.554 -0.159 0.000 2.885 357 T HA 0.357 nan 4.350 nan 0.000 0.285 357 T C -0.095 174.541 174.700 -0.107 0.000 1.019 357 T CA -2.554 59.479 62.100 -0.112 0.000 1.010 357 T CB 1.613 70.452 68.868 -0.049 0.000 1.022 357 T HN -0.608 7.512 8.240 -0.127 0.044 0.466 358 T N 4.681 119.218 114.554 -0.029 0.000 2.738 358 T HA 0.028 nan 4.350 nan 0.000 0.277 358 T C -0.517 174.229 174.700 0.077 0.000 0.981 358 T CA -0.787 61.374 62.100 0.101 0.000 1.211 358 T CB -1.297 67.719 68.868 0.246 0.000 0.932 358 T HN 0.445 8.675 8.240 -0.016 0.000 0.522 359 P HA -0.054 nan 4.420 nan 0.000 0.269 359 P C -0.761 176.593 177.300 0.089 0.000 1.217 359 P CA -0.594 62.468 63.100 -0.064 0.000 0.783 359 P CB 0.523 32.063 31.700 -0.266 0.000 0.898 360 L N -0.992 120.295 121.223 0.107 0.000 2.628 360 L HA -0.282 nan 4.340 nan 0.000 0.292 360 L C 1.537 178.604 176.870 0.328 0.000 1.250 360 L CA 0.802 55.748 54.840 0.176 0.000 0.892 360 L CB -0.101 42.029 42.059 0.118 0.000 1.138 360 L HN 0.245 8.508 8.230 0.055 0.000 0.502 361 A N 7.307 130.335 122.820 0.347 0.000 2.626 361 A HA -0.078 nan 4.320 nan 0.000 0.238 361 A C -0.960 176.836 177.584 0.355 0.000 1.641 361 A CA 0.664 52.955 52.037 0.425 0.000 1.449 361 A CB -1.834 17.344 19.000 0.296 0.000 0.888 361 A HN 0.602 8.908 8.150 0.261 0.000 0.628 362 A N -1.509 121.530 122.820 0.366 0.000 1.558 362 A HA -0.037 nan 4.320 nan 0.000 0.243 362 A C -2.118 175.599 177.584 0.221 0.000 1.426 362 A CA 0.532 52.738 52.037 0.281 0.000 1.328 362 A CB 1.021 20.143 19.000 0.203 0.000 0.887 362 A HN 0.090 8.388 8.150 0.423 0.105 0.636 363 D N 0.843 121.391 120.400 0.247 0.000 2.429 363 D HA 0.052 nan 4.640 nan 0.000 0.108 363 D C -1.663 174.720 176.300 0.137 0.000 1.418 363 D CA 0.520 54.604 54.000 0.141 0.000 1.442 363 D CB 1.424 42.264 40.800 0.066 0.000 2.234 363 D HN -0.120 8.466 8.370 0.360 0.000 0.196 364 D N 0.602 121.065 120.400 0.105 0.000 3.453 364 D HA 0.226 nan 4.640 nan 0.000 0.312 364 D C 0.559 176.923 176.300 0.106 0.000 1.349 364 D CA 0.204 54.267 54.000 0.105 0.000 0.739 364 D CB -0.143 40.686 40.800 0.049 0.000 1.312 364 D HN -0.021 8.365 8.370 0.027 0.000 0.628 365 W N 1.431 122.749 121.300 0.031 0.000 2.301 365 W HA -0.443 nan 4.660 nan 0.000 0.325 365 W C 1.371 177.873 176.519 -0.028 0.000 1.250 365 W CA 3.780 61.123 57.345 -0.004 0.000 1.261 365 W CB -0.170 29.306 29.460 0.027 0.000 1.157 365 W HN 0.283 8.753 8.180 0.485 0.000 0.473 366 K N -1.248 119.298 120.400 0.243 0.000 2.362 366 K HA -0.303 nan 4.320 nan 0.000 0.202 366 K C 0.965 177.613 176.600 0.080 0.000 1.045 366 K CA 1.729 58.094 56.287 0.131 0.000 0.936 366 K CB -0.607 31.948 32.500 0.092 0.000 0.747 366 K HN 0.059 8.472 8.250 0.271 0.000 0.467 367 G N -2.350 106.487 108.800 0.062 0.000 3.277 367 G HA2 0.136 nan 3.960 nan 0.000 0.243 367 G HA3 0.136 nan 3.960 nan 0.000 0.243 367 G C -0.971 173.923 174.900 -0.009 0.000 1.107 367 G CA -0.489 44.626 45.100 0.025 0.000 0.771 367 G HN -0.334 7.819 8.290 0.075 0.182 0.544 368 V N -3.398 116.487 119.914 -0.049 0.000 2.583 368 V HA 0.258 nan 4.120 nan 0.000 0.287 368 V C -1.285 174.753 176.094 -0.093 0.000 1.051 368 V CA -1.767 60.453 62.300 -0.134 0.000 1.010 368 V CB 0.229 31.829 31.823 -0.371 0.000 0.988 368 V HN -0.054 7.956 8.190 -0.020 0.168 0.478 369 E N 7.209 127.377 120.200 -0.052 0.000 2.109 369 E HA 0.568 nan 4.350 nan 0.000 0.278 369 E C -2.359 174.242 176.600 0.002 0.000 0.954 369 E CA -3.864 52.536 56.400 -0.000 0.000 0.779 369 E CB 2.319 32.036 29.700 0.029 0.000 1.093 369 E HN 0.818 9.042 8.360 -0.045 0.109 0.401 370 P HA 0.310 nan 4.420 nan 0.000 0.292 370 P C -1.177 175.989 177.300 -0.223 0.000 1.287 370 P CA -0.894 62.155 63.100 -0.084 0.000 0.800 370 P CB 0.978 32.535 31.700 -0.239 0.000 0.945 371 I N 4.536 125.031 120.570 -0.124 0.000 2.379 371 I HA -0.116 nan 4.170 nan 0.000 0.290 371 I C -1.005 175.021 176.117 -0.152 0.000 1.063 371 I CA 0.186 61.439 61.300 -0.079 0.000 1.351 371 I CB 0.263 38.253 38.000 -0.017 0.000 1.410 371 I HN 0.765 8.833 8.210 -0.030 0.124 0.505 372 Y N 7.466 127.802 120.300 0.060 0.000 2.323 372 Y HA 0.234 nan 4.550 nan 0.000 0.331 372 Y C -0.894 175.000 175.900 -0.009 0.000 1.092 372 Y CA -1.225 56.890 58.100 0.025 0.000 1.150 372 Y CB 1.260 39.720 38.460 0.001 0.000 1.200 372 Y HN 0.260 8.644 8.280 0.173 0.000 0.472 373 E N 5.170 125.465 120.200 0.159 0.000 2.081 373 E HA 0.262 nan 4.350 nan 0.000 0.281 373 E C -0.944 175.669 176.600 0.022 0.000 0.986 373 E CA -1.154 55.291 56.400 0.075 0.000 0.796 373 E CB 1.663 31.402 29.700 0.065 0.000 1.085 373 E HN 0.589 9.061 8.360 0.187 0.000 0.398 374 T N 7.745 122.293 114.554 -0.010 0.000 2.856 374 T HA 0.497 nan 4.350 nan 0.000 0.292 374 T C -0.615 174.054 174.700 -0.051 0.000 0.980 374 T CA 0.296 62.348 62.100 -0.080 0.000 1.091 374 T CB 0.639 69.458 68.868 -0.081 0.000 0.936 374 T HN 0.440 8.687 8.240 0.011 0.000 0.503 375 M N 4.108 123.659 119.600 -0.081 0.000 2.433 375 M HA 0.442 nan 4.480 nan 0.000 0.290 375 M C -2.907 173.373 176.300 -0.034 0.000 1.173 375 M CA -2.237 53.050 55.300 -0.021 0.000 0.905 375 M CB 3.895 36.518 32.600 0.038 0.000 1.692 375 M HN 0.756 8.950 8.290 -0.160 0.000 0.462 376 P HA -0.002 nan 4.420 nan 0.000 0.268 376 P C -0.941 176.415 177.300 0.095 0.000 1.205 376 P CA 0.014 63.135 63.100 0.035 0.000 0.771 376 P CB 0.349 32.083 31.700 0.057 0.000 0.858 377 G N -0.044 108.792 108.800 0.060 0.000 2.702 377 G HA2 0.560 nan 3.960 nan 0.000 0.254 377 G HA3 0.560 nan 3.960 nan 0.000 0.254 377 G C -1.806 173.288 174.900 0.323 0.000 1.380 377 G CA -0.917 44.237 45.100 0.091 0.000 1.042 377 G HN -0.475 7.823 8.290 0.013 0.000 0.557 378 W N -3.777 117.524 121.300 0.002 0.000 2.998 378 W HA 0.443 nan 4.660 nan 0.000 0.335 378 W C -0.190 176.347 176.519 0.030 0.000 1.110 378 W CA -1.556 55.800 57.345 0.018 0.000 1.230 378 W CB 1.603 31.079 29.460 0.026 0.000 1.405 378 W HN -0.368 7.571 8.180 -0.401 0.000 0.493 379 S N 2.240 118.070 115.700 0.217 0.000 2.478 379 S HA -0.124 nan 4.470 nan 0.000 0.222 379 S C 0.163 174.862 174.600 0.165 0.000 1.008 379 S CA 1.492 59.766 58.200 0.123 0.000 0.928 379 S CB -0.142 63.111 63.200 0.088 0.000 0.781 379 S HN 0.394 8.843 8.310 0.232 0.000 0.518 380 E N 1.095 121.442 120.200 0.245 0.000 2.409 380 E HA -0.014 nan 4.350 nan 0.000 0.257 380 E C -1.023 175.744 176.600 0.278 0.000 1.150 380 E CA -0.008 56.523 56.400 0.219 0.000 0.942 380 E CB 0.689 30.493 29.700 0.174 0.000 0.979 380 E HN -0.512 7.994 8.360 0.297 0.033 0.447 381 S N -0.671 115.152 115.700 0.205 0.000 2.465 381 S HA -0.026 nan 4.470 nan 0.000 0.279 381 S C -0.346 174.389 174.600 0.225 0.000 1.201 381 S CA -0.348 57.984 58.200 0.219 0.000 1.053 381 S CB 0.069 63.377 63.200 0.180 0.000 0.953 381 S HN -0.049 8.356 8.310 0.159 0.000 0.488 382 T N 9.510 124.234 114.554 0.285 0.000 3.040 382 T HA 0.123 nan 4.350 nan 0.000 0.250 382 T C -0.806 174.006 174.700 0.186 0.000 1.058 382 T CA 0.188 62.417 62.100 0.215 0.000 0.988 382 T CB 0.588 69.627 68.868 0.285 0.000 0.993 382 T HN 0.479 9.452 8.240 0.337 -0.531 0.519 383 F N 3.455 123.467 119.950 0.102 0.000 2.487 383 F HA -0.334 nan 4.527 nan 0.000 0.364 383 F C -0.432 175.401 175.800 0.055 0.000 1.126 383 F CA 0.794 58.838 58.000 0.073 0.000 1.135 383 F CB -0.376 38.660 39.000 0.060 0.000 1.127 383 F HN -0.871 7.721 8.300 0.391 -0.057 0.559 384 G N 6.163 114.626 108.800 -0.561 0.000 2.284 384 G HA2 -0.300 nan 3.960 nan 0.000 0.201 384 G HA3 -0.300 nan 3.960 nan 0.000 0.201 384 G C -1.220 173.575 174.900 -0.175 0.000 0.998 384 G CA -0.242 44.605 45.100 -0.423 0.000 0.651 384 G HN 0.265 8.136 8.290 -0.509 0.114 0.489 385 V N 1.517 121.373 119.914 -0.096 0.000 2.814 385 V HA -0.313 nan 4.120 nan 0.000 0.307 385 V C 0.277 176.336 176.094 -0.059 0.000 1.089 385 V CA 1.653 63.923 62.300 -0.051 0.000 1.212 385 V CB 0.111 31.918 31.823 -0.027 0.000 0.912 385 V HN -0.712 7.430 8.190 -0.081 0.000 0.497 386 K N 2.713 123.088 120.400 -0.041 0.000 2.402 386 K HA 0.151 nan 4.320 nan 0.000 0.203 386 K C -1.465 175.122 176.600 -0.023 0.000 1.077 386 K CA 0.166 56.432 56.287 -0.035 0.000 1.051 386 K CB 0.862 33.343 32.500 -0.031 0.000 0.907 386 K HN 0.458 8.689 8.250 -0.032 0.000 0.554 387 D N -1.317 119.070 120.400 -0.021 0.000 2.819 387 D HA 0.075 nan 4.640 nan 0.000 0.232 387 D C -0.639 175.648 176.300 -0.021 0.000 1.160 387 D CA -1.314 52.675 54.000 -0.017 0.000 0.858 387 D CB 2.171 42.963 40.800 -0.013 0.000 1.610 387 D HN -0.664 7.692 8.370 -0.023 0.000 0.481 388 R N 2.125 122.613 120.500 -0.021 0.000 4.624 388 R HA 0.054 nan 4.340 nan 0.000 0.214 388 R C -0.405 175.877 176.300 -0.030 0.000 2.026 388 R CA 0.999 57.083 56.100 -0.028 0.000 1.676 388 R CB -2.109 28.176 30.300 -0.024 0.000 1.291 388 R HN 0.494 8.754 8.270 -0.016 0.000 0.739 389 S N -0.157 115.527 115.700 -0.028 0.000 2.882 389 S HA 0.102 nan 4.470 nan 0.000 0.258 389 S C 0.869 175.453 174.600 -0.027 0.000 1.081 389 S CA 0.870 59.055 58.200 -0.025 0.000 0.886 389 S CB 1.552 64.742 63.200 -0.016 0.000 0.855 389 S HN 0.121 8.375 8.310 -0.025 0.041 0.467 390 G N 0.874 109.660 108.800 -0.024 0.000 3.155 390 G HA2 -0.046 nan 3.960 nan 0.000 0.213 390 G HA3 -0.046 nan 3.960 nan 0.000 0.213 390 G C -0.861 174.020 174.900 -0.031 0.000 1.196 390 G CA 0.550 45.639 45.100 -0.019 0.000 0.846 390 G HN -0.535 7.869 8.290 -0.022 -0.127 0.516 391 L N 0.268 121.458 121.223 -0.055 0.000 2.317 391 L HA 0.252 nan 4.340 nan 0.000 0.281 391 L C -1.038 175.752 176.870 -0.135 0.000 1.024 391 L CA -2.585 52.194 54.840 -0.101 0.000 0.810 391 L CB 0.424 42.413 42.059 -0.117 0.000 1.240 391 L HN -0.741 7.344 8.230 -0.054 0.112 0.427 392 P HA -0.046 nan 4.420 nan 0.000 0.272 392 P C -0.609 176.573 177.300 -0.197 0.000 1.243 392 P CA -0.247 62.737 63.100 -0.193 0.000 0.803 392 P CB 0.831 32.357 31.700 -0.290 0.000 0.974 393 Q N -0.601 119.127 119.800 -0.120 0.000 2.402 393 Q HA -0.101 nan 4.340 nan 0.000 0.206 393 Q C 1.550 177.501 176.000 -0.082 0.000 0.919 393 Q CA 2.100 57.853 55.803 -0.083 0.000 0.923 393 Q CB -0.319 28.402 28.738 -0.029 0.000 1.048 393 Q HN 0.507 8.733 8.270 -0.074 0.000 0.515 394 A N -1.258 121.504 122.820 -0.097 0.000 1.935 394 A HA -0.055 nan 4.320 nan 0.000 0.214 394 A C 0.979 178.449 177.584 -0.190 0.000 1.178 394 A CA 2.372 54.407 52.037 -0.003 0.000 0.640 394 A CB -1.029 18.118 19.000 0.244 0.000 0.825 394 A HN -0.056 8.032 8.150 -0.104 0.000 0.447 395 A N -1.555 120.812 122.820 -0.754 0.000 1.933 395 A HA -0.219 nan 4.320 nan 0.000 0.218 395 A C 1.855 179.256 177.584 -0.305 0.000 1.175 395 A CA 2.651 54.054 52.037 -1.057 0.000 0.628 395 A CB -0.949 17.224 19.000 -1.379 0.000 0.814 395 A HN 0.079 7.763 8.150 -0.776 0.000 0.444 396 L N -3.848 117.245 121.223 -0.217 0.000 2.217 396 L HA -0.388 nan 4.340 nan 0.000 0.211 396 L C 2.096 178.950 176.870 -0.026 0.000 1.107 396 L CA 2.543 57.327 54.840 -0.094 0.000 0.783 396 L CB -0.685 41.324 42.059 -0.084 0.000 0.919 396 L HN -0.343 7.730 8.230 -0.263 0.000 0.442 397 N N 0.075 118.775 118.700 0.001 0.000 2.142 397 N HA -0.287 nan 4.740 nan 0.000 0.186 397 N C 1.747 177.329 175.510 0.121 0.000 1.023 397 N CA 3.879 56.963 53.050 0.056 0.000 0.852 397 N CB -0.290 38.238 38.487 0.068 0.000 0.998 397 N HN -0.673 7.568 8.380 -0.033 0.119 0.424 398 Y N 1.908 122.224 120.300 0.027 0.000 2.097 398 Y HA -0.395 nan 4.550 nan 0.000 0.282 398 Y C 1.566 177.494 175.900 0.046 0.000 1.152 398 Y CA 3.261 61.409 58.100 0.081 0.000 1.136 398 Y CB -0.113 38.465 38.460 0.197 0.000 0.975 398 Y HN -0.106 8.321 8.280 0.245 0.000 0.498 399 I N -2.251 118.302 120.570 -0.029 0.000 2.194 399 I HA -0.720 nan 4.170 nan 0.000 0.246 399 I C 2.055 178.118 176.117 -0.089 0.000 1.093 399 I CA 4.294 65.523 61.300 -0.119 0.000 1.355 399 I CB -0.307 37.664 38.000 -0.047 0.000 1.046 399 I HN 0.152 8.417 8.210 0.093 0.000 0.413 400 K N -1.120 119.258 120.400 -0.036 0.000 2.116 400 K HA -0.284 nan 4.320 nan 0.000 0.203 400 K C 2.474 179.063 176.600 -0.020 0.000 1.052 400 K CA 3.243 59.520 56.287 -0.018 0.000 0.952 400 K CB -0.355 32.144 32.500 -0.001 0.000 0.729 400 K HN -0.143 8.015 8.250 -0.013 0.084 0.446 401 R N -0.338 120.155 120.500 -0.012 0.000 2.091 401 R HA -0.279 nan 4.340 nan 0.000 0.238 401 R C 2.596 178.870 176.300 -0.044 0.000 1.136 401 R CA 2.829 58.928 56.100 -0.002 0.000 0.959 401 R CB -0.436 29.896 30.300 0.053 0.000 0.856 401 R HN 0.281 8.443 8.270 0.011 0.114 0.437 402 I N -0.639 119.852 120.570 -0.132 0.000 2.113 402 I HA -0.544 nan 4.170 nan 0.000 0.238 402 I C 2.117 178.213 176.117 -0.036 0.000 1.070 402 I CA 4.211 65.422 61.300 -0.149 0.000 1.332 402 I CB -0.452 37.373 38.000 -0.292 0.000 1.044 402 I HN 0.204 8.296 8.210 -0.193 0.002 0.402 403 E N -0.097 120.098 120.200 -0.008 0.000 2.065 403 E HA -0.485 nan 4.350 nan 0.000 0.201 403 E C 2.514 179.136 176.600 0.036 0.000 1.016 403 E CA 3.695 60.125 56.400 0.050 0.000 0.818 403 E CB -0.374 29.344 29.700 0.030 0.000 0.749 403 E HN -0.524 7.810 8.360 -0.045 0.000 0.453 404 E N -1.614 118.594 120.200 0.013 0.000 2.110 404 E HA -0.257 nan 4.350 nan 0.000 0.193 404 E C 2.303 178.909 176.600 0.010 0.000 0.988 404 E CA 2.395 58.801 56.400 0.009 0.000 0.804 404 E CB -0.107 29.595 29.700 0.004 0.000 0.745 404 E HN -0.297 8.065 8.360 0.003 0.000 0.458 405 L N -2.860 118.368 121.223 0.010 0.000 2.201 405 L HA -0.173 nan 4.340 nan 0.000 0.212 405 L C 1.331 178.214 176.870 0.022 0.000 1.105 405 L CA 2.193 57.037 54.840 0.007 0.000 0.775 405 L CB 0.527 42.585 42.059 -0.001 0.000 0.913 405 L HN -0.255 7.908 8.230 0.003 0.069 0.440 406 T N -8.063 106.526 114.554 0.058 0.000 3.000 406 T HA 0.207 nan 4.350 nan 0.000 0.248 406 T C 1.385 176.114 174.700 0.050 0.000 1.034 406 T CA 0.589 62.748 62.100 0.098 0.000 1.060 406 T CB 0.960 69.998 68.868 0.284 0.000 0.983 406 T HN -0.096 8.160 8.240 0.065 0.023 0.482 407 G N 2.103 110.923 108.800 0.033 0.000 2.136 407 G HA2 -0.364 nan 3.960 nan 0.000 0.242 407 G HA3 -0.364 nan 3.960 nan 0.000 0.242 407 G C -1.237 173.638 174.900 -0.042 0.000 0.989 407 G CA 0.357 45.452 45.100 -0.009 0.000 0.682 407 G HN 0.261 8.470 8.290 0.048 0.109 0.522 408 V N 0.455 120.353 119.914 -0.025 0.000 2.709 408 V HA 0.360 nan 4.120 nan 0.000 0.308 408 V C -2.484 173.592 176.094 -0.029 0.000 1.062 408 V CA -2.973 59.244 62.300 -0.139 0.000 0.901 408 V CB 2.902 34.449 31.823 -0.461 0.000 1.003 408 V HN -0.681 7.521 8.190 0.065 0.027 0.425 409 P HA 0.287 nan 4.420 nan 0.000 0.282 409 P C -1.526 175.824 177.300 0.082 0.000 1.259 409 P CA -1.653 61.463 63.100 0.027 0.000 0.826 409 P CB 1.769 33.471 31.700 0.003 0.000 1.064 410 I N 0.651 121.290 120.570 0.115 0.000 2.331 410 I HA -0.078 nan 4.170 nan 0.000 0.292 410 I C -0.449 175.717 176.117 0.082 0.000 0.998 410 I CA 0.163 61.544 61.300 0.136 0.000 1.267 410 I CB 1.038 39.102 38.000 0.107 0.000 1.386 410 I HN -0.226 8.313 8.210 0.084 -0.279 0.476 411 D N 6.932 127.384 120.400 0.087 0.000 2.441 411 D HA 0.278 nan 4.640 nan 0.000 0.210 411 D C -1.374 174.950 176.300 0.040 0.000 1.102 411 D CA 0.820 54.856 54.000 0.060 0.000 0.840 411 D CB 1.895 42.743 40.800 0.080 0.000 0.990 411 D HN 0.090 8.528 8.370 0.113 0.000 0.505 412 I N -2.478 118.122 120.570 0.050 0.000 2.827 412 I HA 0.222 nan 4.170 nan 0.000 0.298 412 I C -2.596 173.545 176.117 0.040 0.000 1.235 412 I CA -0.756 60.565 61.300 0.035 0.000 1.021 412 I CB 4.768 42.787 38.000 0.031 0.000 1.259 412 I HN -0.918 7.335 8.210 0.072 0.000 0.427 413 I N 2.238 122.824 120.570 0.027 0.000 2.529 413 I HA 0.260 nan 4.170 nan 0.000 0.284 413 I C -1.171 174.959 176.117 0.021 0.000 1.088 413 I CA -0.909 60.409 61.300 0.030 0.000 1.062 413 I CB 2.625 40.639 38.000 0.024 0.000 1.218 413 I HN -0.365 7.856 8.210 0.018 0.000 0.442 414 S N 6.744 122.463 115.700 0.031 0.000 2.439 414 S HA 0.358 nan 4.470 nan 0.000 0.282 414 S C 0.478 175.092 174.600 0.023 0.000 1.170 414 S CA -0.938 57.273 58.200 0.019 0.000 1.054 414 S CB 0.908 64.126 63.200 0.029 0.000 0.956 414 S HN 0.286 8.621 8.310 0.042 0.000 0.490 415 T N 2.211 116.750 114.554 -0.024 0.000 3.145 415 T HA 0.432 nan 4.350 nan 0.000 0.255 415 T C -0.635 173.955 174.700 -0.182 0.000 1.039 415 T CA -1.652 60.419 62.100 -0.047 0.000 0.928 415 T CB 0.316 69.137 68.868 -0.078 0.000 1.029 415 T HN 0.297 8.508 8.240 -0.050 0.000 0.554 416 G N 0.298 109.011 108.800 -0.145 0.000 2.328 416 G HA2 0.235 nan 3.960 nan 0.000 0.295 416 G HA3 0.235 nan 3.960 nan 0.000 0.295 416 G C -2.733 172.151 174.900 -0.027 0.000 1.413 416 G CA 0.352 45.322 45.100 -0.216 0.000 0.817 416 G HN -0.812 7.376 8.290 -0.061 0.066 0.546 417 P HA -0.104 nan 4.420 nan 0.000 0.219 417 P C -1.099 176.223 177.300 0.037 0.000 1.150 417 P CA 0.891 64.040 63.100 0.082 0.000 0.814 417 P CB 0.609 32.394 31.700 0.140 0.000 0.787 418 D N 0.396 120.803 120.400 0.012 0.000 2.350 418 D HA -0.060 nan 4.640 nan 0.000 0.249 418 D C 1.177 177.471 176.300 -0.009 0.000 1.119 418 D CA -0.502 53.502 54.000 0.007 0.000 0.886 418 D CB 2.027 42.830 40.800 0.005 0.000 1.195 418 D HN -0.398 8.236 8.370 -0.010 -0.270 0.437 419 R N 5.662 126.166 120.500 0.007 0.000 2.134 419 R HA -0.451 nan 4.340 nan 0.000 0.248 419 R C 1.881 178.177 176.300 -0.006 0.000 1.143 419 R CA 3.658 59.762 56.100 0.008 0.000 0.957 419 R CB -0.199 30.112 30.300 0.018 0.000 0.867 419 R HN 0.622 8.902 8.270 0.016 0.000 0.441 420 T N 0.216 114.763 114.554 -0.012 0.000 2.977 420 T HA -0.164 nan 4.350 nan 0.000 0.271 420 T C 1.855 176.533 174.700 -0.038 0.000 1.105 420 T CA 2.890 64.979 62.100 -0.019 0.000 1.116 420 T CB -0.803 68.056 68.868 -0.015 0.000 0.878 420 T HN -0.136 8.391 8.240 -0.008 -0.292 0.509 421 E N 2.828 122.992 120.200 -0.060 0.000 2.676 421 E HA -0.008 nan 4.350 nan 0.000 0.318 421 E C -1.725 174.837 176.600 -0.062 0.000 1.514 421 E CA -0.114 56.229 56.400 -0.096 0.000 1.667 421 E CB -1.416 28.175 29.700 -0.180 0.000 1.336 421 E HN 0.273 8.430 8.360 -0.055 0.170 0.492 422 T N 0.943 115.475 114.554 -0.036 0.000 2.912 422 T HA 0.447 nan 4.350 nan 0.000 0.299 422 T C -0.987 173.705 174.700 -0.013 0.000 1.052 422 T CA -0.662 61.427 62.100 -0.018 0.000 0.996 422 T CB 2.436 71.301 68.868 -0.005 0.000 1.070 422 T HN 0.120 8.272 8.240 -0.034 0.067 0.465 423 M N 5.838 125.434 119.600 -0.007 0.000 2.325 423 M HA 0.243 nan 4.480 nan 0.000 0.305 423 M C -1.097 175.203 176.300 0.001 0.000 1.047 423 M CA -1.111 54.186 55.300 -0.005 0.000 0.981 423 M CB 1.348 33.944 32.600 -0.006 0.000 1.307 423 M HN 0.174 8.463 8.290 -0.003 0.000 0.418 424 I N 2.689 123.259 120.570 0.000 0.000 2.453 424 I HA -0.240 nan 4.170 nan 0.000 0.300 424 I C -0.085 176.031 176.117 -0.001 0.000 1.159 424 I CA 1.008 62.307 61.300 -0.001 0.000 1.379 424 I CB -1.213 36.785 38.000 -0.004 0.000 1.460 424 I HN 0.420 8.630 8.210 -0.001 0.000 0.601 425 L N 7.538 128.763 121.223 0.004 0.000 2.376 425 L HA -0.158 nan 4.340 nan 0.000 0.219 425 L C 0.944 177.816 176.870 0.003 0.000 1.133 425 L CA 1.940 56.783 54.840 0.005 0.000 0.816 425 L CB 0.083 42.149 42.059 0.011 0.000 0.933 425 L HN 0.296 8.449 8.230 0.008 0.082 0.449 426 R N -3.122 117.374 120.500 -0.006 0.000 2.729 426 R HA 0.108 nan 4.340 nan 0.000 0.215 426 R C -1.107 175.155 176.300 -0.062 0.000 0.970 426 R CA -0.357 55.733 56.100 -0.017 0.000 1.196 426 R CB 2.715 33.019 30.300 0.008 0.000 1.670 426 R HN -0.294 7.933 8.270 -0.009 0.038 0.575 427 D N 0.784 121.126 120.400 -0.097 0.000 4.844 427 D HA -0.098 nan 4.640 nan 0.000 0.239 427 D C -1.875 174.230 176.300 -0.326 0.000 1.115 427 D CA 0.594 54.502 54.000 -0.155 0.000 1.241 427 D CB 0.275 41.038 40.800 -0.061 0.000 0.748 427 D HN -0.409 7.917 8.370 -0.073 0.000 0.368 428 P HA -0.199 nan 4.420 nan 0.000 0.217 428 P C -0.247 176.596 177.300 -0.763 0.000 1.148 428 P CA 1.905 64.278 63.100 -1.212 0.000 0.828 428 P CB 0.087 31.009 31.700 -1.297 0.000 0.783 429 F N -4.205 115.455 119.950 -0.484 0.000 2.206 429 F HA -0.135 nan 4.527 nan 0.000 0.298 429 F C 0.938 176.551 175.800 -0.312 0.000 1.090 429 F CA 2.100 59.755 58.000 -0.575 0.000 1.323 429 F CB -0.168 38.308 39.000 -0.873 0.000 1.028 429 F HN -0.495 7.771 8.300 -0.359 -0.182 0.492 430 D N -1.592 118.814 120.400 0.010 0.000 2.249 430 D HA -0.069 nan 4.640 nan 0.000 0.205 430 D C 0.516 176.829 176.300 0.023 0.000 0.962 430 D CA 0.603 54.640 54.000 0.061 0.000 0.860 430 D CB 0.131 40.962 40.800 0.052 0.000 0.955 430 D HN -0.718 7.780 8.370 -0.038 -0.151 0.505 431 A N 0.000 122.788 122.820 -0.053 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 18.949 19.000 -0.085 0.000 0.831 431 A HN 0.000 8.072 8.150 -0.130 0.000 0.486