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 1juy_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 3.959 3.960 -0.002 0.000 0.244 1 G C 0.000 174.932 174.900 0.054 0.000 0.946 1 G CA 0.000 45.131 45.100 0.051 0.000 0.502 2 N N -0.611 118.180 118.700 0.151 0.000 2.037 2 N HA -0.277 nan 4.740 nan 0.000 0.196 2 N C -0.111 175.613 175.510 0.356 0.000 1.034 2 N CA 1.883 55.084 53.050 0.251 0.000 0.861 2 N CB 0.144 38.808 38.487 0.294 0.000 1.039 2 N HN 0.143 8.602 8.380 0.166 0.021 0.427 3 N N -0.336 118.528 118.700 0.274 0.000 2.462 3 N HA 0.206 nan 4.740 nan 0.000 0.242 3 N C -1.839 173.794 175.510 0.204 0.000 1.010 3 N CA -0.281 52.974 53.050 0.340 0.000 0.939 3 N CB 0.166 38.885 38.487 0.387 0.000 1.127 3 N HN 0.207 9.288 8.380 0.221 -0.568 0.509 4 V N 5.111 125.096 119.914 0.119 0.000 2.459 4 V HA 0.688 nan 4.120 nan 0.000 0.295 4 V C -1.487 174.708 176.094 0.169 0.000 1.029 4 V CA -0.945 61.316 62.300 -0.064 0.000 0.874 4 V CB 2.353 33.767 31.823 -0.681 0.000 0.985 4 V HN 0.334 8.646 8.190 0.205 0.000 0.438 5 V N 7.286 127.296 119.914 0.160 0.000 2.459 5 V HA 0.678 nan 4.120 nan 0.000 0.295 5 V C -1.399 174.792 176.094 0.162 0.000 1.029 5 V CA -1.308 61.114 62.300 0.202 0.000 0.874 5 V CB 1.772 33.634 31.823 0.065 0.000 0.985 5 V HN 1.292 9.440 8.190 0.140 0.126 0.438 6 V N 7.179 127.213 119.914 0.199 0.000 2.349 6 V HA 0.819 nan 4.120 nan 0.000 0.284 6 V C -1.772 174.415 176.094 0.156 0.000 1.014 6 V CA -0.951 61.432 62.300 0.139 0.000 0.826 6 V CB 0.166 32.049 31.823 0.099 0.000 1.009 6 V HN 0.517 8.878 8.190 0.286 0.000 0.431 7 L N 3.248 124.545 121.223 0.122 0.000 2.327 7 L HA 0.940 nan 4.340 nan 0.000 0.258 7 L C -1.342 175.561 176.870 0.055 0.000 1.024 7 L CA -2.121 52.788 54.840 0.114 0.000 0.825 7 L CB 2.592 44.746 42.059 0.159 0.000 1.386 7 L HN 0.190 8.481 8.230 0.102 0.000 0.417 8 G N -1.830 106.986 108.800 0.027 0.000 2.358 8 G HA2 0.081 nan 3.960 nan 0.000 0.273 8 G HA3 0.081 nan 3.960 nan 0.000 0.273 8 G C 0.055 174.939 174.900 -0.027 0.000 1.215 8 G CA -0.223 44.870 45.100 -0.012 0.000 0.910 8 G HN 0.393 8.705 8.290 0.037 0.000 0.467 9 T N 2.845 117.382 114.554 -0.029 0.000 2.770 9 T HA -0.264 nan 4.350 nan 0.000 0.263 9 T C 1.321 175.896 174.700 -0.209 0.000 1.039 9 T CA 2.984 65.055 62.100 -0.048 0.000 1.142 9 T CB 0.095 69.000 68.868 0.062 0.000 0.868 9 T HN 0.333 8.566 8.240 -0.011 0.000 0.435 10 Q N 0.910 120.533 119.800 -0.295 0.000 1.509 10 Q HA -0.052 nan 4.340 nan 0.000 0.747 10 Q C 0.762 176.310 176.000 -0.753 0.000 0.916 10 Q CA 2.386 57.799 55.803 -0.651 0.000 0.831 10 Q CB 0.802 29.258 28.738 -0.470 0.000 2.274 10 Q HN -0.425 7.789 8.270 -0.191 -0.058 0.257 11 W N -2.643 118.588 121.300 -0.114 0.000 1.710 11 W HA 0.205 nan 4.660 nan 0.000 0.326 11 W C -0.590 175.868 176.519 -0.100 0.000 0.801 11 W CA -1.070 56.198 57.345 -0.128 0.000 2.715 11 W CB -0.327 28.994 29.460 -0.231 0.000 1.934 11 W HN 0.150 8.294 8.180 -0.061 0.000 0.609 12 G N 0.640 109.466 108.800 0.043 0.000 2.846 12 G HA2 -0.399 nan 3.960 nan 0.000 0.660 12 G HA3 -0.399 nan 3.960 nan 0.000 0.660 12 G C -1.928 172.978 174.900 0.010 0.000 1.464 12 G CA -0.113 45.005 45.100 0.030 0.000 0.891 12 G HN -0.193 8.328 8.290 -0.027 -0.247 0.552 13 D N -3.447 116.948 120.400 -0.009 0.000 3.041 13 D HA -0.396 nan 4.640 nan 0.000 0.220 13 D C 0.673 176.944 176.300 -0.049 0.000 1.157 13 D CA 1.861 55.852 54.000 -0.016 0.000 0.876 13 D CB -0.989 39.817 40.800 0.010 0.000 1.107 13 D HN 0.465 8.828 8.370 -0.012 0.000 0.422 14 E N -1.179 118.980 120.200 -0.068 0.000 2.208 14 E HA -0.162 nan 4.350 nan 0.000 0.193 14 E C 0.549 177.113 176.600 -0.062 0.000 0.988 14 E CA 2.199 58.553 56.400 -0.078 0.000 0.828 14 E CB 0.216 29.875 29.700 -0.069 0.000 0.763 14 E HN 0.319 8.592 8.360 -0.068 0.045 0.478 15 G N -4.936 103.820 108.800 -0.072 0.000 2.338 15 G HA2 -0.292 nan 3.960 nan 0.000 0.115 15 G HA3 -0.292 nan 3.960 nan 0.000 0.115 15 G C 0.439 175.291 174.900 -0.080 0.000 1.053 15 G CA -0.394 44.673 45.100 -0.055 0.000 0.733 15 G HN -0.093 8.110 8.290 -0.100 0.027 0.482 16 K N 0.817 121.115 120.400 -0.170 0.000 2.002 16 K HA -0.273 nan 4.320 nan 0.000 0.209 16 K C 1.808 178.333 176.600 -0.125 0.000 1.048 16 K CA 3.247 59.425 56.287 -0.180 0.000 0.930 16 K CB -0.181 32.119 32.500 -0.332 0.000 0.714 16 K HN 0.274 8.391 8.250 -0.222 0.000 0.438 17 G N -0.680 108.018 108.800 -0.171 0.000 2.553 17 G HA2 -0.381 nan 3.960 nan 0.000 0.218 17 G HA3 -0.381 nan 3.960 nan 0.000 0.218 17 G C 0.911 175.834 174.900 0.037 0.000 1.195 17 G CA 1.979 47.106 45.100 0.044 0.000 0.779 17 G HN 0.220 8.299 8.290 -0.352 0.000 0.577 18 K N 1.920 122.330 120.400 0.018 0.000 2.074 18 K HA -0.271 nan 4.320 nan 0.000 0.209 18 K C 2.377 178.990 176.600 0.021 0.000 1.048 18 K CA 2.925 59.226 56.287 0.022 0.000 0.926 18 K CB -0.216 32.295 32.500 0.019 0.000 0.713 18 K HN -0.184 8.068 8.250 0.003 0.000 0.444 19 I N -1.869 118.709 120.570 0.014 0.000 2.617 19 I HA -0.227 nan 4.170 nan 0.000 0.256 19 I C 2.146 178.283 176.117 0.033 0.000 1.167 19 I CA 1.572 62.883 61.300 0.019 0.000 1.469 19 I CB -1.007 37.002 38.000 0.014 0.000 1.098 19 I HN -0.619 7.510 8.210 -0.000 0.081 0.436 20 V N 1.582 121.522 119.914 0.044 0.000 2.270 20 V HA -0.487 nan 4.120 nan 0.000 0.245 20 V C 2.122 178.258 176.094 0.069 0.000 1.043 20 V CA 5.085 67.426 62.300 0.068 0.000 1.014 20 V CB -0.970 30.907 31.823 0.090 0.000 0.645 20 V HN 0.477 8.611 8.190 0.034 0.077 0.447 21 D N -0.380 120.055 120.400 0.058 0.000 2.182 21 D HA -0.310 nan 4.640 nan 0.000 0.201 21 D C 1.668 177.996 176.300 0.046 0.000 0.986 21 D CA 3.482 57.512 54.000 0.050 0.000 0.847 21 D CB 0.264 41.088 40.800 0.041 0.000 0.942 21 D HN -0.043 8.361 8.370 0.057 0.000 0.467 22 L N -1.290 119.959 121.223 0.043 0.000 2.131 22 L HA -0.037 nan 4.340 nan 0.000 0.206 22 L C 1.610 178.515 176.870 0.058 0.000 1.087 22 L CA 3.076 57.940 54.840 0.039 0.000 0.767 22 L CB 0.236 42.310 42.059 0.026 0.000 0.917 22 L HN -0.639 7.514 8.230 0.040 0.101 0.441 23 L N -3.016 118.251 121.223 0.073 0.000 2.375 23 L HA -0.126 nan 4.340 nan 0.000 0.215 23 L C 1.736 178.727 176.870 0.203 0.000 1.108 23 L CA 1.850 56.762 54.840 0.119 0.000 0.830 23 L CB -0.214 41.887 42.059 0.069 0.000 0.959 23 L HN -0.284 7.984 8.230 0.062 0.000 0.457 24 T N -3.348 111.298 114.554 0.153 0.000 3.098 24 T HA -0.263 nan 4.350 nan 0.000 0.266 24 T C 1.784 176.537 174.700 0.089 0.000 1.145 24 T CA 2.637 64.823 62.100 0.144 0.000 1.092 24 T CB -1.123 67.803 68.868 0.097 0.000 0.908 24 T HN 0.208 8.517 8.240 0.115 0.000 0.526 25 E N 2.899 123.148 120.200 0.082 0.000 2.147 25 E HA -0.333 nan 4.350 nan 0.000 0.199 25 E C 1.215 177.827 176.600 0.021 0.000 1.005 25 E CA 2.653 59.079 56.400 0.043 0.000 0.810 25 E CB -0.289 29.439 29.700 0.048 0.000 0.736 25 E HN -0.258 8.089 8.360 0.095 0.069 0.460 26 R N -4.363 116.170 120.500 0.054 0.000 2.312 26 R HA 0.028 nan 4.340 nan 0.000 0.205 26 R C -0.718 175.526 176.300 -0.092 0.000 0.904 26 R CA -0.333 55.763 56.100 -0.008 0.000 1.052 26 R CB 0.913 31.287 30.300 0.124 0.000 1.014 26 R HN -0.818 7.511 8.270 0.123 0.015 0.503 27 A N -1.004 121.795 122.820 -0.036 0.000 2.354 27 A HA 0.053 nan 4.320 nan 0.000 0.269 27 A C -0.650 176.876 177.584 -0.097 0.000 1.109 27 A CA 0.086 52.104 52.037 -0.032 0.000 0.800 27 A CB 0.760 19.831 19.000 0.118 0.000 1.045 27 A HN -0.385 7.571 8.150 0.033 0.214 0.489 28 K N 2.236 122.552 120.400 -0.141 0.000 2.202 28 K HA 0.058 nan 4.320 nan 0.000 0.201 28 K C -0.305 175.995 176.600 -0.500 0.000 1.051 28 K CA 0.612 56.679 56.287 -0.367 0.000 0.977 28 K CB 2.209 34.435 32.500 -0.456 0.000 0.792 28 K HN 0.136 8.361 8.250 -0.042 0.000 0.469 29 Y N -5.320 114.969 120.300 -0.017 0.000 2.512 29 Y HA 0.632 nan 4.550 nan 0.000 0.348 29 Y C -1.554 174.315 175.900 -0.051 0.000 0.990 29 Y CA -1.290 56.787 58.100 -0.037 0.000 1.033 29 Y CB 3.938 42.361 38.460 -0.062 0.000 1.259 29 Y HN -0.646 7.698 8.280 0.106 0.000 0.461 30 V N 0.797 120.783 119.914 0.120 0.000 2.638 30 V HA 0.679 nan 4.120 nan 0.000 0.306 30 V C -1.919 174.189 176.094 0.022 0.000 1.052 30 V CA -0.718 61.609 62.300 0.044 0.000 0.885 30 V CB 2.590 34.452 31.823 0.065 0.000 0.999 30 V HN 0.448 8.729 8.190 0.151 0.000 0.424 31 V N 5.941 125.840 119.914 -0.025 0.000 2.577 31 V HA 0.644 nan 4.120 nan 0.000 0.303 31 V C -1.141 175.061 176.094 0.180 0.000 1.042 31 V CA -1.415 60.921 62.300 0.060 0.000 0.872 31 V CB 2.705 34.534 31.823 0.010 0.000 0.998 31 V HN 1.148 9.187 8.190 -0.075 0.106 0.423 32 R N 6.309 126.871 120.500 0.103 0.000 2.254 32 R HA 0.528 nan 4.340 nan 0.000 0.318 32 R C -0.186 176.151 176.300 0.063 0.000 1.031 32 R CA -1.507 54.579 56.100 -0.023 0.000 0.905 32 R CB 1.246 31.524 30.300 -0.037 0.000 1.050 32 R HN 0.171 8.493 8.270 0.087 0.000 0.456 33 Y N 0.061 120.471 120.300 0.184 0.000 2.445 33 Y HA 0.145 nan 4.550 nan 0.000 0.247 33 Y C -1.753 174.236 175.900 0.149 0.000 1.129 33 Y CA -2.160 56.043 58.100 0.172 0.000 1.251 33 Y CB 0.967 39.542 38.460 0.191 0.000 1.176 33 Y HN -0.145 7.591 8.280 -0.908 0.000 0.522 34 Q N -5.832 113.966 119.800 -0.002 0.000 2.687 34 Q HA 0.201 nan 4.340 nan 0.000 0.295 34 Q C -0.872 175.171 176.000 0.072 0.000 0.920 34 Q CA -0.865 55.022 55.803 0.140 0.000 0.766 34 Q CB 2.424 31.301 28.738 0.232 0.000 1.467 34 Q HN -0.706 7.399 8.270 -0.274 0.000 0.415 35 G N -0.475 108.440 108.800 0.191 0.000 2.587 35 G HA2 -0.388 nan 3.960 nan 0.000 0.212 35 G HA3 -0.388 nan 3.960 nan 0.000 0.212 35 G C -2.225 172.735 174.900 0.101 0.000 1.327 35 G CA -0.165 45.023 45.100 0.146 0.000 0.898 35 G HN -0.166 8.333 8.290 0.349 0.000 0.551 36 G N -1.236 107.595 108.800 0.051 0.000 3.319 36 G HA2 0.262 nan 3.960 nan 0.000 0.158 36 G HA3 0.262 nan 3.960 nan 0.000 0.158 36 G C -1.615 173.340 174.900 0.091 0.000 1.205 36 G CA 1.000 46.137 45.100 0.062 0.000 1.252 36 G HN 0.023 8.588 8.290 0.038 -0.251 0.668 37 H N -0.575 118.479 119.070 -0.027 0.000 2.487 37 H HA 0.322 nan 4.556 nan 0.000 0.290 37 H C -0.436 174.865 175.328 -0.045 0.000 1.081 37 H CA -0.874 55.162 56.048 -0.021 0.000 1.116 37 H CB -0.447 29.288 29.762 -0.044 0.000 1.560 37 H HN 0.362 8.629 8.280 -0.022 0.000 0.548 38 N N -0.999 117.595 118.700 -0.175 0.000 2.376 38 N HA -0.135 nan 4.740 nan 0.000 0.177 38 N C 0.052 175.567 175.510 0.008 0.000 1.024 38 N CA 0.247 53.222 53.050 -0.125 0.000 0.893 38 N CB -1.018 37.416 38.487 -0.089 0.000 0.980 38 N HN -0.084 8.142 8.380 -0.125 0.078 0.439 39 A N 0.371 123.215 122.820 0.040 0.000 2.445 39 A HA 0.040 nan 4.320 nan 0.000 0.242 39 A C -0.917 176.771 177.584 0.173 0.000 1.075 39 A CA 1.002 53.088 52.037 0.083 0.000 0.777 39 A CB 0.380 19.307 19.000 -0.121 0.000 1.013 39 A HN -0.926 7.216 8.150 0.012 0.015 0.493 40 G N 0.957 109.917 108.800 0.268 0.000 3.191 40 G HA2 0.293 nan 3.960 nan 0.000 0.309 40 G HA3 0.293 nan 3.960 nan 0.000 0.309 40 G C -1.676 173.399 174.900 0.292 0.000 1.596 40 G CA -0.110 45.156 45.100 0.277 0.000 0.955 40 G HN 0.119 8.644 8.290 0.391 0.000 0.508 41 H N 4.447 123.515 119.070 -0.002 0.000 2.552 41 H HA 0.160 nan 4.556 nan 0.000 0.311 41 H C -0.593 174.719 175.328 -0.026 0.000 1.071 41 H CA -2.024 54.022 56.048 -0.004 0.000 1.307 41 H CB 1.694 31.455 29.762 -0.001 0.000 1.416 41 H HN 0.803 8.946 8.280 -0.035 0.116 0.464 42 T N 7.162 121.782 114.554 0.111 0.000 2.728 42 T HA 0.384 nan 4.350 nan 0.000 0.296 42 T C -1.227 173.504 174.700 0.051 0.000 0.940 42 T CA 0.177 62.313 62.100 0.060 0.000 1.013 42 T CB -0.112 68.793 68.868 0.061 0.000 0.912 42 T HN 0.542 8.848 8.240 0.110 0.000 0.484 43 L N 6.690 127.935 121.223 0.037 0.000 2.334 43 L HA 0.679 nan 4.340 nan 0.000 0.272 43 L C -1.375 175.513 176.870 0.030 0.000 1.020 43 L CA -0.906 53.954 54.840 0.033 0.000 0.812 43 L CB 2.567 44.642 42.059 0.026 0.000 1.264 43 L HN 1.044 9.165 8.230 0.023 0.123 0.439 44 V N 1.558 121.490 119.914 0.030 0.000 2.610 44 V HA 0.370 nan 4.120 nan 0.000 0.288 44 V C -1.683 174.427 176.094 0.027 0.000 1.055 44 V CA -0.432 61.888 62.300 0.032 0.000 0.902 44 V CB 2.177 34.027 31.823 0.046 0.000 1.030 44 V HN 0.426 8.633 8.190 0.029 0.000 0.448 45 I N 7.492 128.076 120.570 0.023 0.000 2.354 45 I HA 0.371 nan 4.170 nan 0.000 0.292 45 I C -1.009 175.120 176.117 0.021 0.000 0.989 45 I CA -2.665 58.646 61.300 0.019 0.000 1.188 45 I CB 1.862 39.871 38.000 0.014 0.000 1.342 45 I HN 0.449 8.672 8.210 0.022 0.000 0.457 46 N N 10.013 128.726 118.700 0.022 0.000 2.689 46 N HA -0.442 nan 4.740 nan 0.000 0.263 46 N C 0.465 175.994 175.510 0.032 0.000 0.987 46 N CA 0.885 53.950 53.050 0.026 0.000 0.782 46 N CB -2.303 36.195 38.487 0.019 0.000 0.903 46 N HN 1.014 9.422 8.380 0.018 -0.017 0.547 47 G N -4.531 104.294 108.800 0.042 0.000 2.205 47 G HA2 -0.623 nan 3.960 nan 0.000 0.269 47 G HA3 -0.623 nan 3.960 nan 0.000 0.269 47 G C -0.910 174.011 174.900 0.034 0.000 0.977 47 G CA 0.518 45.645 45.100 0.046 0.000 0.652 47 G HN 0.223 8.866 8.290 0.045 -0.326 0.539 48 E N 1.872 122.088 120.200 0.027 0.000 2.229 48 E HA 0.052 nan 4.350 nan 0.000 0.283 48 E C -1.352 175.261 176.600 0.021 0.000 1.030 48 E CA -0.957 55.455 56.400 0.020 0.000 0.836 48 E CB 1.299 31.007 29.700 0.015 0.000 1.068 48 E HN 0.259 8.441 8.360 0.025 0.193 0.401 49 K N 5.481 125.893 120.400 0.020 0.000 2.130 49 K HA 0.411 nan 4.320 nan 0.000 0.268 49 K C -1.069 175.537 176.600 0.010 0.000 0.983 49 K CA -0.544 55.755 56.287 0.020 0.000 0.893 49 K CB 1.528 34.043 32.500 0.025 0.000 1.066 49 K HN 0.301 8.562 8.250 0.018 0.000 0.450 50 T N 5.595 120.152 114.554 0.005 0.000 3.143 50 T HA 0.332 nan 4.350 nan 0.000 0.312 50 T C -2.127 172.555 174.700 -0.029 0.000 0.986 50 T CA -0.042 62.050 62.100 -0.014 0.000 1.024 50 T CB 2.958 71.817 68.868 -0.014 0.000 1.030 50 T HN 0.441 8.688 8.240 0.013 0.000 0.448 51 V N 6.009 125.883 119.914 -0.067 0.000 2.328 51 V HA 0.664 nan 4.120 nan 0.000 0.278 51 V C -0.284 175.612 176.094 -0.330 0.000 1.021 51 V CA -1.331 60.893 62.300 -0.126 0.000 0.838 51 V CB -0.200 31.577 31.823 -0.077 0.000 0.999 51 V HN 0.244 8.396 8.190 -0.063 0.000 0.447 52 L N 7.486 128.544 121.223 -0.276 0.000 2.379 52 L HA 0.446 nan 4.340 nan 0.000 0.269 52 L C -0.377 176.203 176.870 -0.482 0.000 1.084 52 L CA -0.886 53.755 54.840 -0.331 0.000 0.802 52 L CB 1.426 43.396 42.059 -0.149 0.000 1.175 52 L HN 0.971 9.011 8.230 -0.137 0.107 0.448 53 H N 0.982 120.009 119.070 -0.071 0.000 2.269 53 H HA 0.303 nan 4.556 nan 0.000 0.216 53 H C 1.781 177.044 175.328 -0.108 0.000 0.985 53 H CA 2.086 58.085 56.048 -0.080 0.000 1.274 53 H CB 1.535 31.312 29.762 0.026 0.000 1.283 53 H HN 0.551 9.027 8.280 -0.202 -0.318 0.491 54 L N 0.031 121.314 121.223 0.100 0.000 2.168 54 L HA 0.138 nan 4.340 nan 0.000 0.203 54 L C -0.082 176.779 176.870 -0.016 0.000 1.078 54 L CA 0.542 55.405 54.840 0.037 0.000 0.780 54 L CB 1.079 43.165 42.059 0.045 0.000 0.939 54 L HN -0.581 8.226 8.230 0.157 -0.483 0.451 55 I N 0.267 120.824 120.570 -0.023 0.000 2.556 55 I HA -0.006 nan 4.170 nan 0.000 0.284 55 I C -1.410 174.685 176.117 -0.036 0.000 1.114 55 I CA -1.555 59.730 61.300 -0.024 0.000 1.418 55 I CB -0.391 37.597 38.000 -0.020 0.000 1.394 55 I HN -0.760 7.671 8.210 -0.015 -0.230 0.552 56 P HA -0.028 nan 4.420 nan 0.000 0.268 56 P C -0.744 176.567 177.300 0.018 0.000 1.208 56 P CA 0.255 63.359 63.100 0.007 0.000 0.777 56 P CB 0.621 32.339 31.700 0.030 0.000 0.875 57 S N 2.723 118.453 115.700 0.050 0.000 2.942 57 S HA -0.001 nan 4.470 nan 0.000 0.244 57 S C 0.152 174.782 174.600 0.051 0.000 1.011 57 S CA 1.543 59.778 58.200 0.059 0.000 1.102 57 S CB -0.818 62.446 63.200 0.106 0.000 0.812 57 S HN 0.862 9.856 8.310 0.073 -0.640 0.486 58 G N -1.612 107.212 108.800 0.040 0.000 2.944 58 G HA2 0.312 nan 3.960 nan 0.000 0.223 58 G HA3 0.312 nan 3.960 nan 0.000 0.223 58 G C 0.376 175.286 174.900 0.018 0.000 1.071 58 G CA -0.091 45.030 45.100 0.035 0.000 0.806 58 G HN -0.657 7.552 8.290 0.035 0.102 0.538 59 I N 3.843 124.422 120.570 0.014 0.000 2.185 59 I HA -0.487 nan 4.170 nan 0.000 0.246 59 I C 0.715 176.832 176.117 0.001 0.000 1.088 59 I CA 2.705 64.008 61.300 0.005 0.000 1.347 59 I CB 0.144 38.144 38.000 0.000 0.000 1.041 59 I HN -0.668 7.552 8.210 0.016 0.000 0.415 60 L N -4.188 117.038 121.223 0.004 0.000 2.633 60 L HA -0.226 nan 4.340 nan 0.000 0.235 60 L C -0.002 176.867 176.870 -0.001 0.000 1.163 60 L CA 0.865 55.706 54.840 0.001 0.000 0.859 60 L CB -1.245 40.817 42.059 0.005 0.000 0.973 60 L HN -0.339 7.876 8.230 0.008 0.019 0.451 61 R N -1.569 118.930 120.500 -0.003 0.000 2.445 61 R HA 0.240 nan 4.340 nan 0.000 0.308 61 R C 0.221 176.509 176.300 -0.021 0.000 0.961 61 R CA -1.016 55.078 56.100 -0.010 0.000 0.862 61 R CB 1.060 31.355 30.300 -0.008 0.000 1.144 61 R HN 0.235 8.328 8.270 0.000 0.178 0.447 62 E N 7.085 127.269 120.200 -0.026 0.000 2.158 62 E HA -0.315 nan 4.350 nan 0.000 0.191 62 E C 0.030 176.599 176.600 -0.052 0.000 0.982 62 E CA 2.646 59.026 56.400 -0.034 0.000 0.823 62 E CB -0.485 29.197 29.700 -0.030 0.000 0.766 62 E HN 0.666 9.012 8.360 -0.024 0.000 0.468 63 N N -4.136 114.529 118.700 -0.059 0.000 2.520 63 N HA -0.154 nan 4.740 nan 0.000 0.185 63 N C -1.096 174.344 175.510 -0.116 0.000 1.068 63 N CA 0.882 53.880 53.050 -0.087 0.000 0.911 63 N CB -0.152 38.284 38.487 -0.085 0.000 0.961 63 N HN -0.038 8.313 8.380 -0.048 0.000 0.446 64 V N -0.174 119.688 119.914 -0.088 0.000 2.547 64 V HA 0.289 nan 4.120 nan 0.000 0.299 64 V C -0.472 175.574 176.094 -0.080 0.000 1.040 64 V CA -0.906 61.336 62.300 -0.096 0.000 0.913 64 V CB 1.185 32.986 31.823 -0.037 0.000 0.992 64 V HN -0.802 7.184 8.190 -0.061 0.167 0.449 65 T N 9.653 124.144 114.554 -0.104 0.000 2.744 65 T HA 0.274 nan 4.350 nan 0.000 0.291 65 T C -0.961 173.784 174.700 0.076 0.000 0.957 65 T CA -0.848 61.246 62.100 -0.009 0.000 1.002 65 T CB 0.727 69.608 68.868 0.021 0.000 0.919 65 T HN 1.056 9.061 8.240 -0.203 0.113 0.468 66 S N 7.060 122.795 115.700 0.058 0.000 2.475 66 S HA 0.720 nan 4.470 nan 0.000 0.281 66 S C -1.636 173.008 174.600 0.073 0.000 1.198 66 S CA 0.217 58.454 58.200 0.061 0.000 1.063 66 S CB 0.670 63.891 63.200 0.036 0.000 0.972 66 S HN 1.079 9.308 8.310 0.040 0.106 0.486 67 I N 5.532 126.150 120.570 0.079 0.000 2.404 67 I HA 0.598 nan 4.170 nan 0.000 0.293 67 I C -1.540 174.618 176.117 0.067 0.000 0.992 67 I CA -1.410 59.935 61.300 0.074 0.000 1.149 67 I CB 2.015 40.058 38.000 0.071 0.000 1.315 67 I HN 0.964 9.221 8.210 0.077 0.000 0.446 68 I N 6.641 127.249 120.570 0.063 0.000 2.337 68 I HA 0.263 nan 4.170 nan 0.000 0.285 68 I C -0.851 175.314 176.117 0.080 0.000 1.041 68 I CA -1.285 60.051 61.300 0.060 0.000 1.199 68 I CB 0.216 38.241 38.000 0.041 0.000 1.370 68 I HN 0.674 8.920 8.210 0.060 0.000 0.470 69 G N 4.596 113.464 108.800 0.114 0.000 2.569 69 G HA2 -0.007 nan 3.960 nan 0.000 0.249 69 G HA3 -0.007 nan 3.960 nan 0.000 0.249 69 G C 0.740 175.716 174.900 0.127 0.000 1.216 69 G CA -1.198 43.987 45.100 0.141 0.000 0.845 69 G HN 0.467 8.832 8.290 0.125 0.000 0.568 70 N N 3.153 121.925 118.700 0.120 0.000 2.133 70 N HA -0.455 nan 4.740 nan 0.000 0.193 70 N C 1.623 177.205 175.510 0.121 0.000 1.012 70 N CA 2.830 55.942 53.050 0.104 0.000 0.871 70 N CB -0.523 38.022 38.487 0.097 0.000 1.011 70 N HN 0.587 9.039 8.380 0.121 0.000 0.435 71 G N -1.142 107.756 108.800 0.164 0.000 2.559 71 G HA2 -0.134 nan 3.960 nan 0.000 0.216 71 G HA3 -0.134 nan 3.960 nan 0.000 0.216 71 G C -0.894 174.134 174.900 0.213 0.000 1.126 71 G CA 0.488 45.713 45.100 0.207 0.000 0.778 71 G HN -0.085 8.179 8.290 0.182 0.135 0.543 72 V N 1.458 121.454 119.914 0.136 0.000 2.607 72 V HA 0.316 nan 4.120 nan 0.000 0.289 72 V C 0.281 176.369 176.094 -0.011 0.000 1.053 72 V CA 0.239 62.588 62.300 0.082 0.000 0.996 72 V CB 0.450 32.307 31.823 0.058 0.000 0.995 72 V HN -0.320 7.783 8.190 0.124 0.161 0.476 73 V N 2.816 122.665 119.914 -0.108 0.000 2.385 73 V HA 0.361 nan 4.120 nan 0.000 0.269 73 V C -1.079 174.968 176.094 -0.079 0.000 1.043 73 V CA -1.514 60.657 62.300 -0.216 0.000 0.906 73 V CB -0.542 30.982 31.823 -0.498 0.000 0.995 73 V HN 0.386 8.540 8.190 -0.060 0.000 0.467 74 L N 7.399 128.588 121.223 -0.056 0.000 2.272 74 L HA 0.458 nan 4.340 nan 0.000 0.289 74 L C -1.157 175.690 176.870 -0.038 0.000 1.032 74 L CA -1.118 53.706 54.840 -0.028 0.000 0.810 74 L CB 2.715 44.763 42.059 -0.019 0.000 1.205 74 L HN 1.135 9.221 8.230 -0.067 0.104 0.422 75 S N 6.906 122.563 115.700 -0.072 0.000 2.415 75 S HA 0.404 nan 4.470 nan 0.000 0.313 75 S C -1.309 173.207 174.600 -0.140 0.000 1.067 75 S CA -4.397 53.722 58.200 -0.135 0.000 1.099 75 S CB 0.312 63.301 63.200 -0.351 0.000 0.991 75 S HN 0.560 8.825 8.310 -0.074 0.000 0.491 76 P HA -0.247 nan 4.420 nan 0.000 0.216 76 P C 0.183 177.427 177.300 -0.094 0.000 1.150 76 P CA 2.618 65.671 63.100 -0.077 0.000 0.843 76 P CB -0.019 31.645 31.700 -0.060 0.000 0.787 77 A N -3.588 119.166 122.820 -0.110 0.000 1.877 77 A HA -0.230 nan 4.320 nan 0.000 0.216 77 A C 1.814 179.316 177.584 -0.137 0.000 1.186 77 A CA 2.866 54.838 52.037 -0.108 0.000 0.620 77 A CB -1.027 17.911 19.000 -0.103 0.000 0.822 77 A HN 0.048 8.118 8.150 -0.111 0.013 0.443 78 A N -1.166 121.513 122.820 -0.235 0.000 1.933 78 A HA -0.246 nan 4.320 nan 0.000 0.218 78 A C 1.894 179.394 177.584 -0.140 0.000 1.175 78 A CA 2.751 54.625 52.037 -0.272 0.000 0.628 78 A CB -0.677 17.932 19.000 -0.652 0.000 0.814 78 A HN -0.500 7.473 8.150 -0.294 0.000 0.444 79 L N -0.547 120.603 121.223 -0.122 0.000 1.976 79 L HA -0.307 nan 4.340 nan 0.000 0.209 79 L C 1.955 178.798 176.870 -0.045 0.000 1.071 79 L CA 3.295 58.096 54.840 -0.065 0.000 0.746 79 L CB -0.321 41.704 42.059 -0.055 0.000 0.890 79 L HN 0.087 8.226 8.230 -0.151 0.000 0.432 80 M N -2.069 117.501 119.600 -0.049 0.000 2.108 80 M HA -0.434 nan 4.480 nan 0.000 0.261 80 M C 2.443 178.726 176.300 -0.029 0.000 1.066 80 M CA 2.167 57.445 55.300 -0.036 0.000 1.107 80 M CB -1.998 30.579 32.600 -0.039 0.000 1.356 80 M HN -0.276 7.976 8.290 -0.062 0.000 0.406 81 K N -0.240 120.139 120.400 -0.036 0.000 2.009 81 K HA -0.358 nan 4.320 nan 0.000 0.210 81 K C 2.756 179.355 176.600 -0.003 0.000 1.049 81 K CA 3.305 59.579 56.287 -0.022 0.000 0.929 81 K CB -0.325 32.155 32.500 -0.033 0.000 0.714 81 K HN -0.135 8.085 8.250 -0.053 -0.001 0.440 82 E N -0.687 119.515 120.200 0.002 0.000 2.107 82 E HA -0.257 nan 4.350 nan 0.000 0.191 82 E C 2.330 178.930 176.600 -0.001 0.000 0.982 82 E CA 2.588 58.998 56.400 0.016 0.000 0.809 82 E CB 0.153 29.870 29.700 0.027 0.000 0.756 82 E HN -0.189 8.164 8.360 -0.011 0.000 0.459 83 M N 0.832 120.427 119.600 -0.008 0.000 2.073 83 M HA -0.477 nan 4.480 nan 0.000 0.258 83 M C 1.634 177.929 176.300 -0.008 0.000 1.070 83 M CA 4.230 59.524 55.300 -0.010 0.000 1.103 83 M CB 0.122 32.714 32.600 -0.013 0.000 1.321 83 M HN 0.638 8.803 8.290 -0.013 0.117 0.405 84 K N -1.603 118.792 120.400 -0.009 0.000 2.026 84 K HA -0.400 nan 4.320 nan 0.000 0.208 84 K C 1.952 178.549 176.600 -0.005 0.000 1.048 84 K CA 3.759 60.041 56.287 -0.007 0.000 0.929 84 K CB -0.160 32.335 32.500 -0.009 0.000 0.713 84 K HN -0.032 8.212 8.250 -0.011 0.000 0.439 85 E N -0.597 119.602 120.200 -0.002 0.000 2.085 85 E HA -0.352 nan 4.350 nan 0.000 0.194 85 E C 2.850 179.448 176.600 -0.003 0.000 0.994 85 E CA 2.910 59.310 56.400 0.000 0.000 0.801 85 E CB -0.164 29.540 29.700 0.006 0.000 0.743 85 E HN -0.744 7.615 8.360 -0.001 0.000 0.453 86 L N -1.755 119.464 121.223 -0.005 0.000 2.056 86 L HA -0.374 nan 4.340 nan 0.000 0.207 86 L C 2.262 179.128 176.870 -0.006 0.000 1.078 86 L CA 2.980 57.816 54.840 -0.007 0.000 0.749 86 L CB -0.334 41.719 42.059 -0.010 0.000 0.901 86 L HN -0.057 8.170 8.230 -0.005 0.000 0.433 87 E N 0.311 120.507 120.200 -0.006 0.000 2.058 87 E HA -0.415 nan 4.350 nan 0.000 0.194 87 E C 2.807 179.404 176.600 -0.005 0.000 0.997 87 E CA 3.435 59.831 56.400 -0.006 0.000 0.801 87 E CB -0.288 29.409 29.700 -0.006 0.000 0.746 87 E HN 0.130 8.420 8.360 -0.006 0.066 0.450 88 D N -0.794 119.604 120.400 -0.004 0.000 2.265 88 D HA -0.171 nan 4.640 nan 0.000 0.208 88 D C 1.259 177.557 176.300 -0.003 0.000 0.977 88 D CA 2.585 56.583 54.000 -0.004 0.000 0.871 88 D CB -0.414 40.384 40.800 -0.003 0.000 0.925 88 D HN 0.021 8.389 8.370 -0.004 0.000 0.485 89 R N -2.715 117.783 120.500 -0.003 0.000 2.391 89 R HA 0.069 nan 4.340 nan 0.000 0.249 89 R C 0.447 176.745 176.300 -0.003 0.000 0.957 89 R CA -0.458 55.640 56.100 -0.003 0.000 1.093 89 R CB -0.276 30.023 30.300 -0.003 0.000 1.156 89 R HN -0.802 7.319 8.270 -0.004 0.147 0.526 90 G N -0.788 108.009 108.800 -0.004 0.000 2.143 90 G HA2 -0.402 nan 3.960 nan 0.000 0.248 90 G HA3 -0.402 nan 3.960 nan 0.000 0.248 90 G C -0.757 174.140 174.900 -0.006 0.000 0.991 90 G CA 0.554 45.651 45.100 -0.005 0.000 0.689 90 G HN 0.146 8.255 8.290 -0.004 0.179 0.522 91 I N 1.659 122.226 120.570 -0.006 0.000 2.306 91 I HA 0.245 nan 4.170 nan 0.000 0.288 91 I C -1.316 174.797 176.117 -0.007 0.000 1.036 91 I CA -3.936 57.360 61.300 -0.006 0.000 1.221 91 I CB 1.303 39.299 38.000 -0.007 0.000 1.385 91 I HN -0.285 7.890 8.210 -0.006 0.032 0.472 92 P HA 0.163 nan 4.420 nan 0.000 0.226 92 P C 0.404 177.701 177.300 -0.006 0.000 1.783 92 P CA -0.625 62.471 63.100 -0.007 0.000 0.980 92 P CB -1.859 29.836 31.700 -0.008 0.000 1.967 93 V N 3.580 123.491 119.914 -0.005 0.000 2.252 93 V HA -0.616 nan 4.120 nan 0.000 0.255 93 V C 1.780 177.874 176.094 -0.000 0.000 1.071 93 V CA 4.533 66.831 62.300 -0.003 0.000 1.050 93 V CB -0.711 31.109 31.823 -0.004 0.000 0.654 93 V HN 0.527 8.642 8.190 -0.006 0.071 0.448 94 R N -1.802 118.698 120.500 -0.001 0.000 2.159 94 R HA -0.350 nan 4.340 nan 0.000 0.237 94 R C 2.126 178.428 176.300 0.003 0.000 1.131 94 R CA 2.950 59.051 56.100 0.001 0.000 0.982 94 R CB -0.190 30.110 30.300 -0.001 0.000 0.868 94 R HN 0.040 8.308 8.270 -0.003 0.000 0.453 95 E N -4.363 115.837 120.200 -0.001 0.000 2.371 95 E HA -0.034 nan 4.350 nan 0.000 0.194 95 E C 0.268 176.867 176.600 -0.002 0.000 1.012 95 E CA 1.160 57.559 56.400 -0.002 0.000 0.860 95 E CB 0.239 29.935 29.700 -0.007 0.000 0.811 95 E HN -0.166 8.043 8.360 -0.003 0.149 0.502 96 R N -5.755 114.745 120.500 0.001 0.000 2.446 96 R HA 0.264 nan 4.340 nan 0.000 0.254 96 R C -0.932 175.377 176.300 0.016 0.000 0.918 96 R CA -1.005 55.096 56.100 0.002 0.000 1.069 96 R CB 1.686 31.982 30.300 -0.006 0.000 1.194 96 R HN -0.224 7.877 8.270 0.001 0.170 0.534 97 L N 0.900 122.135 121.223 0.019 0.000 2.307 97 L HA 0.634 nan 4.340 nan 0.000 0.284 97 L C -2.039 174.853 176.870 0.037 0.000 1.023 97 L CA -0.850 54.007 54.840 0.028 0.000 0.810 97 L CB 2.511 44.581 42.059 0.019 0.000 1.231 97 L HN -0.361 7.877 8.230 0.013 0.000 0.423 98 L N 5.503 126.757 121.223 0.052 0.000 2.333 98 L HA 0.680 nan 4.340 nan 0.000 0.269 98 L C -1.679 175.224 176.870 0.056 0.000 1.010 98 L CA -1.330 53.545 54.840 0.058 0.000 0.818 98 L CB 3.111 45.214 42.059 0.074 0.000 1.306 98 L HN 1.214 9.361 8.230 0.057 0.117 0.430 99 L N -1.645 119.614 121.223 0.059 0.000 2.303 99 L HA 0.757 nan 4.340 nan 0.000 0.256 99 L C -1.777 175.137 176.870 0.073 0.000 1.034 99 L CA -1.863 53.013 54.840 0.060 0.000 0.832 99 L CB 4.090 46.180 42.059 0.051 0.000 1.403 99 L HN 0.831 8.995 8.230 0.063 0.104 0.419 100 S N -1.400 114.342 115.700 0.069 0.000 2.462 100 S HA 0.267 nan 4.470 nan 0.000 0.294 100 S C 0.955 175.595 174.600 0.067 0.000 1.144 100 S CA -2.312 55.934 58.200 0.076 0.000 1.088 100 S CB 1.085 64.331 63.200 0.075 0.000 1.009 100 S HN -0.096 8.250 8.310 0.061 0.000 0.484 101 E N 7.239 127.492 120.200 0.089 0.000 2.347 101 E HA -0.186 nan 4.350 nan 0.000 0.196 101 E C 1.086 177.685 176.600 -0.001 0.000 1.008 101 E CA 2.353 58.776 56.400 0.039 0.000 0.852 101 E CB -0.459 29.323 29.700 0.138 0.000 0.783 101 E HN 0.875 9.304 8.360 0.116 0.000 0.505 102 A N -0.658 122.185 122.820 0.038 0.000 2.067 102 A HA -0.047 nan 4.320 nan 0.000 0.217 102 A C -0.001 177.601 177.584 0.030 0.000 1.156 102 A CA 0.769 52.827 52.037 0.036 0.000 0.683 102 A CB -0.111 18.924 19.000 0.057 0.000 0.808 102 A HN -0.251 7.895 8.150 0.059 0.040 0.455 103 C N 1.512 120.831 119.300 0.030 0.000 2.419 103 C HA -0.140 nan 4.460 nan 0.000 0.398 103 C C -1.812 173.179 174.990 0.002 0.000 1.498 103 C CA -0.569 58.461 59.018 0.020 0.000 1.494 103 C CB -1.959 25.792 27.740 0.019 0.000 2.485 103 C HN -0.568 7.548 8.230 0.037 0.137 0.608 104 P HA 0.354 nan 4.420 nan 0.000 0.275 104 P C -1.721 175.566 177.300 -0.022 0.000 1.228 104 P CA -0.040 63.049 63.100 -0.018 0.000 0.786 104 P CB 0.344 32.002 31.700 -0.070 0.000 0.927 105 L N 0.957 122.202 121.223 0.036 0.000 2.289 105 L HA 0.472 nan 4.340 nan 0.000 0.285 105 L C -0.240 176.674 176.870 0.073 0.000 1.049 105 L CA -1.068 53.804 54.840 0.054 0.000 0.804 105 L CB 0.902 43.033 42.059 0.120 0.000 1.195 105 L HN 0.653 8.816 8.230 0.074 0.111 0.428 106 I N 3.663 124.248 120.570 0.026 0.000 2.315 106 I HA 0.083 nan 4.170 nan 0.000 0.291 106 I C -1.292 174.857 176.117 0.054 0.000 1.006 106 I CA -0.337 61.014 61.300 0.084 0.000 1.265 106 I CB 0.269 38.281 38.000 0.019 0.000 1.387 106 I HN 0.811 8.888 8.210 -0.003 0.131 0.475 107 L N 5.014 126.210 121.223 -0.046 0.000 2.370 107 L HA 0.374 nan 4.340 nan 0.000 0.266 107 L C 0.549 177.111 176.870 -0.513 0.000 1.002 107 L CA -1.745 52.878 54.840 -0.361 0.000 0.818 107 L CB 2.773 44.519 42.059 -0.522 0.000 1.325 107 L HN 0.202 8.618 8.230 0.310 0.000 0.418 108 D N 3.725 123.960 120.400 -0.275 0.000 2.565 108 D HA -0.500 nan 4.640 nan 0.000 0.189 108 D C 1.392 177.585 176.300 -0.178 0.000 1.052 108 D CA 4.267 58.166 54.000 -0.169 0.000 0.889 108 D CB -0.141 40.618 40.800 -0.068 0.000 0.911 108 D HN 0.671 8.932 8.370 -0.182 0.000 0.464 109 Y N -6.535 113.691 120.300 -0.123 0.000 2.333 109 Y HA -0.303 nan 4.550 nan 0.000 0.290 109 Y C 1.958 177.728 175.900 -0.217 0.000 1.144 109 Y CA 1.521 59.518 58.100 -0.172 0.000 1.228 109 Y CB -1.612 36.735 38.460 -0.188 0.000 0.985 109 Y HN -0.338 7.635 8.280 -0.480 0.020 0.542 110 H N 0.053 118.949 119.070 -0.289 0.000 2.456 110 H HA -0.283 nan 4.556 nan 0.000 0.296 110 H C 2.448 177.709 175.328 -0.112 0.000 1.079 110 H CA 3.822 59.761 56.048 -0.182 0.000 1.322 110 H CB -0.064 29.555 29.762 -0.240 0.000 1.388 110 H HN 0.619 8.240 8.280 -0.856 0.144 0.538 111 V N -0.842 119.074 119.914 0.004 0.000 2.649 111 V HA -0.276 nan 4.120 nan 0.000 0.248 111 V C 1.303 177.380 176.094 -0.028 0.000 1.054 111 V CA 3.114 65.409 62.300 -0.008 0.000 1.073 111 V CB -0.993 30.825 31.823 -0.008 0.000 0.699 111 V HN -0.191 7.823 8.190 -0.049 0.146 0.463 112 A N 0.412 123.216 122.820 -0.027 0.000 1.858 112 A HA -0.325 nan 4.320 nan 0.000 0.216 112 A C 1.693 179.217 177.584 -0.100 0.000 1.190 112 A CA 3.558 55.569 52.037 -0.044 0.000 0.617 112 A CB -0.848 18.146 19.000 -0.009 0.000 0.827 112 A HN -0.503 7.551 8.150 -0.019 0.085 0.443 113 L N -2.060 119.113 121.223 -0.084 0.000 1.994 113 L HA -0.510 nan 4.340 nan 0.000 0.208 113 L C 1.794 178.587 176.870 -0.128 0.000 1.071 113 L CA 3.318 58.079 54.840 -0.133 0.000 0.745 113 L CB -0.679 41.351 42.059 -0.048 0.000 0.892 113 L HN 0.264 8.471 8.230 -0.039 0.000 0.431 114 D N -1.788 118.580 120.400 -0.054 0.000 2.158 114 D HA -0.351 nan 4.640 nan 0.000 0.197 114 D C 2.414 178.673 176.300 -0.067 0.000 0.995 114 D CA 3.297 57.270 54.000 -0.044 0.000 0.846 114 D CB -0.298 40.486 40.800 -0.025 0.000 0.941 114 D HN -0.299 8.058 8.370 -0.022 0.000 0.456 115 N N -0.215 118.436 118.700 -0.082 0.000 2.080 115 N HA -0.336 nan 4.740 nan 0.000 0.189 115 N C 1.889 177.327 175.510 -0.120 0.000 1.036 115 N CA 2.741 55.743 53.050 -0.079 0.000 0.846 115 N CB 0.206 38.653 38.487 -0.067 0.000 1.015 115 N HN -0.122 8.104 8.380 -0.076 0.109 0.423 116 A N 0.560 123.238 122.820 -0.235 0.000 1.873 116 A HA -0.339 nan 4.320 nan 0.000 0.218 116 A C 2.549 179.966 177.584 -0.279 0.000 1.193 116 A CA 3.202 54.984 52.037 -0.426 0.000 0.629 116 A CB -0.714 17.657 19.000 -1.049 0.000 0.826 116 A HN 0.530 8.431 8.150 -0.237 0.108 0.447 117 R N -2.521 117.844 120.500 -0.225 0.000 2.105 117 R HA -0.386 nan 4.340 nan 0.000 0.239 117 R C 2.630 178.955 176.300 0.043 0.000 1.135 117 R CA 3.363 59.479 56.100 0.026 0.000 0.967 117 R CB -0.322 30.000 30.300 0.037 0.000 0.861 117 R HN 0.393 8.385 8.270 -0.285 0.107 0.442 118 E N -1.310 118.887 120.200 -0.005 0.000 2.047 118 E HA -0.201 nan 4.350 nan 0.000 0.191 118 E C 2.571 179.188 176.600 0.028 0.000 0.987 118 E CA 2.583 58.988 56.400 0.009 0.000 0.799 118 E CB -0.247 29.450 29.700 -0.005 0.000 0.752 118 E HN -0.458 7.879 8.360 -0.038 0.000 0.449 119 K N -0.857 119.556 120.400 0.022 0.000 2.026 119 K HA -0.244 nan 4.320 nan 0.000 0.208 119 K C 2.505 179.146 176.600 0.068 0.000 1.048 119 K CA 2.789 59.098 56.287 0.037 0.000 0.929 119 K CB -0.592 31.924 32.500 0.027 0.000 0.713 119 K HN -0.199 8.050 8.250 -0.003 0.000 0.439 120 A N -1.169 121.721 122.820 0.118 0.000 2.032 120 A HA -0.215 nan 4.320 nan 0.000 0.221 120 A C 1.090 178.738 177.584 0.106 0.000 1.165 120 A CA 2.409 54.540 52.037 0.158 0.000 0.645 120 A CB -0.903 18.288 19.000 0.318 0.000 0.807 120 A HN -0.042 8.183 8.150 0.124 0.000 0.453 121 R N -2.657 117.894 120.500 0.084 0.000 2.236 121 R HA -0.084 nan 4.340 nan 0.000 0.208 121 R C 0.901 177.235 176.300 0.057 0.000 1.036 121 R CA 0.442 56.579 56.100 0.062 0.000 1.001 121 R CB 0.479 30.805 30.300 0.042 0.000 0.896 121 R HN -0.572 7.608 8.270 0.081 0.139 0.464 122 G N -0.692 108.139 108.800 0.052 0.000 2.634 122 G HA2 -0.477 nan 3.960 nan 0.000 0.309 122 G HA3 -0.477 nan 3.960 nan 0.000 0.309 122 G C 0.268 175.196 174.900 0.046 0.000 1.265 122 G CA 1.529 46.655 45.100 0.043 0.000 0.998 122 G HN 0.278 8.410 8.290 0.054 0.190 0.551 123 A N 2.683 125.528 122.820 0.042 0.000 2.084 123 A HA -0.191 nan 4.320 nan 0.000 0.221 123 A C 1.004 178.628 177.584 0.067 0.000 1.161 123 A CA 2.427 54.490 52.037 0.043 0.000 0.653 123 A CB -0.443 18.577 19.000 0.034 0.000 0.802 123 A HN 0.280 8.453 8.150 0.037 0.000 0.457 124 K N -2.889 117.562 120.400 0.086 0.000 2.577 124 K HA 0.091 nan 4.320 nan 0.000 0.210 124 K C -0.881 175.813 176.600 0.157 0.000 1.048 124 K CA -1.064 55.310 56.287 0.146 0.000 1.188 124 K CB -0.101 32.477 32.500 0.131 0.000 0.910 124 K HN -0.029 8.130 8.250 0.071 0.134 0.483 125 A N -0.206 122.684 122.820 0.116 0.000 2.477 125 A HA -0.028 nan 4.320 nan 0.000 0.246 125 A C 0.135 177.808 177.584 0.149 0.000 1.078 125 A CA 0.592 52.680 52.037 0.086 0.000 0.770 125 A CB 0.362 19.396 19.000 0.057 0.000 1.011 125 A HN -0.418 7.708 8.150 0.093 0.080 0.494 126 I N 0.496 121.099 120.570 0.055 0.000 2.208 126 I HA -0.400 nan 4.170 nan 0.000 0.245 126 I C 0.862 177.057 176.117 0.131 0.000 1.097 126 I CA 2.555 63.900 61.300 0.076 0.000 1.363 126 I CB 0.305 38.253 38.000 -0.087 0.000 1.051 126 I HN 0.260 8.778 8.210 -0.012 -0.316 0.413 127 G N -3.623 105.213 108.800 0.059 0.000 2.226 127 G HA2 -0.326 nan 3.960 nan 0.000 0.176 127 G HA3 -0.326 nan 3.960 nan 0.000 0.176 127 G C -0.115 174.794 174.900 0.015 0.000 1.042 127 G CA -0.639 44.483 45.100 0.037 0.000 0.732 127 G HN 0.171 8.989 8.290 0.038 -0.505 0.494 128 T N 0.904 115.460 114.554 0.004 0.000 2.903 128 T HA -0.058 nan 4.350 nan 0.000 0.314 128 T C 1.289 175.976 174.700 -0.022 0.000 1.078 128 T CA 1.687 63.780 62.100 -0.012 0.000 1.114 128 T CB 0.350 69.206 68.868 -0.020 0.000 0.987 128 T HN -0.242 8.347 8.240 0.004 -0.347 0.548 129 T N -1.843 112.688 114.554 -0.038 0.000 3.051 129 T HA -0.055 nan 4.350 nan 0.000 0.269 129 T C 1.866 176.525 174.700 -0.069 0.000 1.127 129 T CA 0.820 62.886 62.100 -0.056 0.000 1.107 129 T CB -0.115 68.701 68.868 -0.087 0.000 0.898 129 T HN 0.450 8.667 8.240 -0.038 0.000 0.517 130 G N 1.538 110.300 108.800 -0.063 0.000 2.179 130 G HA2 -0.385 nan 3.960 nan 0.000 0.260 130 G HA3 -0.385 nan 3.960 nan 0.000 0.260 130 G C 0.063 174.922 174.900 -0.068 0.000 0.977 130 G CA 0.786 45.853 45.100 -0.055 0.000 0.641 130 G HN -0.089 8.107 8.290 -0.055 0.062 0.533 131 R N 0.119 120.537 120.500 -0.136 0.000 2.307 131 R HA -0.075 nan 4.340 nan 0.000 0.199 131 R C 0.332 176.580 176.300 -0.087 0.000 1.000 131 R CA -1.414 54.574 56.100 -0.185 0.000 1.023 131 R CB -0.316 29.560 30.300 -0.707 0.000 0.908 131 R HN -0.598 7.507 8.270 -0.164 0.066 0.473 132 G N -2.832 105.926 108.800 -0.069 0.000 2.132 132 G HA2 -0.285 nan 3.960 nan 0.000 0.234 132 G HA3 -0.285 nan 3.960 nan 0.000 0.234 132 G C 0.350 175.193 174.900 -0.096 0.000 0.989 132 G CA 0.362 45.441 45.100 -0.035 0.000 0.676 132 G HN -0.432 7.966 8.290 -0.073 -0.151 0.522 133 I N 0.592 121.104 120.570 -0.097 0.000 2.118 133 I HA -0.469 nan 4.170 nan 0.000 0.241 133 I C 1.558 177.676 176.117 0.002 0.000 1.070 133 I CA 3.313 64.568 61.300 -0.075 0.000 1.327 133 I CB -1.422 36.589 38.000 0.019 0.000 1.034 133 I HN 0.263 8.370 8.210 -0.104 0.040 0.405 134 G N -0.173 108.663 108.800 0.061 0.000 2.545 134 G HA2 -0.260 nan 3.960 nan 0.000 0.217 134 G HA3 -0.260 nan 3.960 nan 0.000 0.217 134 G C -1.193 173.748 174.900 0.069 0.000 1.218 134 G CA 2.888 48.054 45.100 0.111 0.000 0.787 134 G HN 0.387 8.696 8.290 0.032 0.000 0.571 135 P HA -0.276 nan 4.420 nan 0.000 0.216 135 P C 1.110 178.324 177.300 -0.144 0.000 1.150 135 P CA 2.686 65.816 63.100 0.050 0.000 0.843 135 P CB -0.456 31.331 31.700 0.146 0.000 0.787 136 A N -2.291 120.211 122.820 -0.530 0.000 1.877 136 A HA -0.240 nan 4.320 nan 0.000 0.216 136 A C 2.201 179.608 177.584 -0.295 0.000 1.186 136 A CA 3.083 54.676 52.037 -0.740 0.000 0.620 136 A CB -0.715 17.851 19.000 -0.724 0.000 0.822 136 A HN -0.320 7.558 8.150 -0.444 0.005 0.443 137 Y N -1.921 118.317 120.300 -0.103 0.000 2.224 137 Y HA -0.444 nan 4.550 nan 0.000 0.289 137 Y C 2.420 178.331 175.900 0.018 0.000 1.146 137 Y CA 3.190 61.276 58.100 -0.022 0.000 1.182 137 Y CB -0.547 37.908 38.460 -0.007 0.000 0.983 137 Y HN 0.154 8.277 8.280 -0.156 0.062 0.524 138 E N -0.486 119.825 120.200 0.185 0.000 2.023 138 E HA -0.470 nan 4.350 nan 0.000 0.196 138 E C 2.530 179.231 176.600 0.168 0.000 1.003 138 E CA 3.463 59.965 56.400 0.170 0.000 0.809 138 E CB -0.334 29.476 29.700 0.183 0.000 0.755 138 E HN 0.425 8.694 8.360 0.159 0.187 0.449 139 D N -0.846 119.672 120.400 0.198 0.000 2.182 139 D HA -0.273 nan 4.640 nan 0.000 0.201 139 D C 2.043 178.423 176.300 0.134 0.000 0.986 139 D CA 3.130 57.262 54.000 0.221 0.000 0.847 139 D CB -0.390 40.640 40.800 0.384 0.000 0.942 139 D HN -0.072 8.414 8.370 0.193 0.000 0.467 140 K N 0.331 120.797 120.400 0.109 0.000 1.969 140 K HA -0.289 nan 4.320 nan 0.000 0.216 140 K C 2.562 179.216 176.600 0.090 0.000 1.048 140 K CA 3.270 59.612 56.287 0.091 0.000 0.948 140 K CB 0.086 32.648 32.500 0.104 0.000 0.726 140 K HN -0.415 7.813 8.250 0.094 0.079 0.442 141 V N 0.220 120.200 119.914 0.109 0.000 2.380 141 V HA -0.356 nan 4.120 nan 0.000 0.251 141 V C 1.290 177.419 176.094 0.057 0.000 1.063 141 V CA 2.870 65.219 62.300 0.082 0.000 1.055 141 V CB -0.619 31.255 31.823 0.086 0.000 0.657 141 V HN -0.280 7.995 8.190 0.141 0.000 0.455 142 A N -3.766 119.093 122.820 0.065 0.000 1.972 142 A HA -0.160 nan 4.320 nan 0.000 0.219 142 A C 0.180 177.766 177.584 0.004 0.000 1.169 142 A CA 1.804 53.862 52.037 0.034 0.000 0.635 142 A CB 0.263 19.290 19.000 0.045 0.000 0.810 142 A HN 0.207 8.299 8.150 0.091 0.113 0.446 143 R N -5.863 114.647 120.500 0.018 0.000 3.822 143 R HA -0.265 nan 4.340 nan 0.000 0.366 143 R C 0.426 176.712 176.300 -0.023 0.000 1.137 143 R CA 1.260 57.361 56.100 0.001 0.000 0.933 143 R CB -2.253 28.041 30.300 -0.010 0.000 1.522 143 R HN 0.015 8.158 8.270 0.042 0.152 0.519 144 R N -3.024 117.464 120.500 -0.020 0.000 2.446 144 R HA 0.263 nan 4.340 nan 0.000 0.254 144 R C 0.582 176.893 176.300 0.018 0.000 0.918 144 R CA -0.209 55.859 56.100 -0.055 0.000 1.069 144 R CB 0.987 31.195 30.300 -0.153 0.000 1.194 144 R HN -0.198 8.079 8.270 0.013 0.000 0.534 145 G N 0.682 109.530 108.800 0.079 0.000 2.569 145 G HA2 -0.040 nan 3.960 nan 0.000 0.249 145 G HA3 -0.040 nan 3.960 nan 0.000 0.249 145 G C -1.314 173.639 174.900 0.088 0.000 1.216 145 G CA -0.290 44.895 45.100 0.141 0.000 0.845 145 G HN -0.596 7.736 8.290 0.070 0.000 0.568 146 L N -0.016 121.278 121.223 0.119 0.000 2.322 146 L HA 0.349 nan 4.340 nan 0.000 0.279 146 L C -0.609 176.324 176.870 0.105 0.000 1.036 146 L CA -0.489 54.403 54.840 0.087 0.000 0.807 146 L CB 1.210 43.310 42.059 0.069 0.000 1.226 146 L HN 0.215 8.562 8.230 0.195 0.000 0.433 147 R N 0.523 121.068 120.500 0.075 0.000 2.892 147 R HA 0.622 nan 4.340 nan 0.000 0.265 147 R C 1.624 177.920 176.300 -0.005 0.000 1.025 147 R CA -1.436 54.683 56.100 0.031 0.000 0.982 147 R CB 2.016 32.317 30.300 0.002 0.000 1.185 147 R HN 0.424 9.106 8.270 0.067 -0.372 0.484 148 V N 1.462 121.346 119.914 -0.049 0.000 2.277 148 V HA -0.464 nan 4.120 nan 0.000 0.253 148 V C 1.885 177.766 176.094 -0.355 0.000 1.067 148 V CA 5.132 67.359 62.300 -0.120 0.000 1.047 148 V CB -0.718 31.062 31.823 -0.071 0.000 0.649 148 V HN 0.899 9.074 8.190 -0.024 0.000 0.447 149 G N -2.391 106.117 108.800 -0.486 0.000 2.475 149 G HA2 -0.393 nan 3.960 nan 0.000 0.220 149 G HA3 -0.393 nan 3.960 nan 0.000 0.220 149 G C 1.012 175.433 174.900 -0.798 0.000 1.125 149 G CA 2.126 46.573 45.100 -1.089 0.000 0.755 149 G HN 0.196 8.228 8.290 -0.275 0.092 0.565 150 D N 2.748 122.999 120.400 -0.249 0.000 2.311 150 D HA -0.180 nan 4.640 nan 0.000 0.212 150 D C 2.370 178.731 176.300 0.102 0.000 0.972 150 D CA 2.822 56.845 54.000 0.039 0.000 0.887 150 D CB -0.422 40.528 40.800 0.251 0.000 0.915 150 D HN 0.007 8.140 8.370 -0.155 0.145 0.497 151 L N -1.309 119.823 121.223 -0.151 0.000 2.376 151 L HA -0.282 nan 4.340 nan 0.000 0.219 151 L C 1.191 178.077 176.870 0.027 0.000 1.133 151 L CA 1.662 56.377 54.840 -0.208 0.000 0.816 151 L CB -0.374 41.516 42.059 -0.281 0.000 0.933 151 L HN -0.235 7.668 8.230 -0.282 0.157 0.449 152 F N -4.982 114.979 119.950 0.018 0.000 2.307 152 F HA -0.275 nan 4.527 nan 0.000 0.301 152 F C 0.772 176.588 175.800 0.027 0.000 1.076 152 F CA 0.114 58.124 58.000 0.017 0.000 1.383 152 F CB -0.273 38.745 39.000 0.029 0.000 1.055 152 F HN -0.325 7.597 8.300 -0.364 0.160 0.526 153 D N -1.118 119.411 120.400 0.215 0.000 2.420 153 D HA 0.178 nan 4.640 nan 0.000 0.255 153 D C -0.253 176.140 176.300 0.155 0.000 1.185 153 D CA -1.429 52.667 54.000 0.159 0.000 0.904 153 D CB 0.285 41.174 40.800 0.149 0.000 1.102 153 D HN -0.846 7.609 8.370 0.187 0.027 0.534 154 K N 4.751 125.217 120.400 0.110 0.000 2.147 154 K HA -0.331 nan 4.320 nan 0.000 0.205 154 K C 1.787 178.491 176.600 0.174 0.000 1.049 154 K CA 3.546 59.898 56.287 0.108 0.000 0.936 154 K CB 0.013 32.536 32.500 0.038 0.000 0.722 154 K HN 0.533 8.836 8.250 0.090 0.000 0.446 155 E N -0.512 119.768 120.200 0.134 0.000 2.028 155 E HA -0.268 nan 4.350 nan 0.000 0.191 155 E C 2.361 179.046 176.600 0.142 0.000 0.988 155 E CA 3.324 59.799 56.400 0.126 0.000 0.799 155 E CB 0.045 29.798 29.700 0.088 0.000 0.755 155 E HN -0.166 8.316 8.360 0.111 -0.056 0.447 156 T N -1.282 113.351 114.554 0.132 0.000 2.833 156 T HA -0.220 nan 4.350 nan 0.000 0.269 156 T C 1.555 176.334 174.700 0.133 0.000 1.054 156 T CA 3.686 65.851 62.100 0.110 0.000 1.135 156 T CB -0.746 68.175 68.868 0.088 0.000 0.869 156 T HN 0.464 9.282 8.240 0.126 -0.502 0.466 157 F N 3.390 123.371 119.950 0.051 0.000 2.069 157 F HA -0.504 nan 4.527 nan 0.000 0.298 157 F C 0.470 176.323 175.800 0.089 0.000 1.113 157 F CA 3.425 61.457 58.000 0.054 0.000 1.214 157 F CB 0.046 39.069 39.000 0.039 0.000 0.978 157 F HN -0.166 8.320 8.300 0.317 0.004 0.474 158 A N -2.122 120.904 122.820 0.342 0.000 1.917 158 A HA -0.422 nan 4.320 nan 0.000 0.219 158 A C 2.683 180.381 177.584 0.190 0.000 1.182 158 A CA 3.241 55.458 52.037 0.299 0.000 0.633 158 A CB -1.141 18.039 19.000 0.300 0.000 0.819 158 A HN 0.056 8.451 8.150 0.408 0.000 0.448 159 E N -0.913 119.345 120.200 0.097 0.000 2.017 159 E HA -0.439 nan 4.350 nan 0.000 0.193 159 E C 2.273 178.849 176.600 -0.041 0.000 0.997 159 E CA 3.155 59.567 56.400 0.020 0.000 0.804 159 E CB -0.211 29.498 29.700 0.014 0.000 0.757 159 E HN -0.439 7.990 8.360 0.117 0.000 0.448 160 K N -0.595 119.759 120.400 -0.078 0.000 2.034 160 K HA -0.375 nan 4.320 nan 0.000 0.214 160 K C 2.618 179.118 176.600 -0.168 0.000 1.051 160 K CA 3.184 59.389 56.287 -0.138 0.000 0.931 160 K CB -0.139 32.252 32.500 -0.182 0.000 0.715 160 K HN 0.009 8.229 8.250 -0.051 0.000 0.446 161 L N -1.324 119.751 121.223 -0.246 0.000 2.042 161 L HA -0.395 nan 4.340 nan 0.000 0.210 161 L C 1.292 178.199 176.870 0.061 0.000 1.076 161 L CA 3.391 58.149 54.840 -0.136 0.000 0.749 161 L CB -0.327 41.624 42.059 -0.179 0.000 0.893 161 L HN 0.470 8.371 8.230 -0.363 0.111 0.432 162 K N -1.070 119.375 120.400 0.075 0.000 2.001 162 K HA -0.457 nan 4.320 nan 0.000 0.214 162 K C 1.899 178.390 176.600 -0.181 0.000 1.050 162 K CA 2.991 59.131 56.287 -0.245 0.000 0.934 162 K CB -0.736 31.499 32.500 -0.443 0.000 0.718 162 K HN -0.193 8.044 8.250 0.108 0.077 0.443 163 E N -0.648 119.468 120.200 -0.140 0.000 2.033 163 E HA -0.448 nan 4.350 nan 0.000 0.199 163 E C 2.291 178.819 176.600 -0.119 0.000 1.011 163 E CA 3.170 59.496 56.400 -0.123 0.000 0.815 163 E CB -0.154 29.473 29.700 -0.122 0.000 0.755 163 E HN -0.605 7.678 8.360 -0.127 0.000 0.451 164 V N 0.247 120.076 119.914 -0.141 0.000 2.220 164 V HA -0.500 nan 4.120 nan 0.000 0.250 164 V C 2.163 178.121 176.094 -0.226 0.000 1.056 164 V CA 4.461 66.649 62.300 -0.188 0.000 1.016 164 V CB -0.787 30.953 31.823 -0.138 0.000 0.639 164 V HN -0.257 7.854 8.190 -0.131 0.000 0.446 165 M N -2.450 117.017 119.600 -0.221 0.000 2.149 165 M HA -0.554 nan 4.480 nan 0.000 0.261 165 M C 2.168 178.423 176.300 -0.076 0.000 1.064 165 M CA 4.273 59.439 55.300 -0.224 0.000 1.102 165 M CB -0.526 32.051 32.600 -0.038 0.000 1.369 165 M HN 0.329 8.533 8.290 -0.142 0.000 0.408 166 E N -0.049 120.117 120.200 -0.056 0.000 2.012 166 E HA -0.453 nan 4.350 nan 0.000 0.197 166 E C 1.999 178.631 176.600 0.052 0.000 1.007 166 E CA 3.212 59.608 56.400 -0.006 0.000 0.816 166 E CB -0.232 29.450 29.700 -0.030 0.000 0.762 166 E HN 0.128 8.365 8.360 -0.086 0.072 0.451 167 Y N 0.594 120.823 120.300 -0.120 0.000 2.069 167 Y HA -0.577 nan 4.550 nan 0.000 0.278 167 Y C 2.273 178.147 175.900 -0.044 0.000 1.175 167 Y CA 3.642 61.662 58.100 -0.133 0.000 1.134 167 Y CB -0.090 38.205 38.460 -0.275 0.000 0.965 167 Y HN 0.008 8.327 8.280 0.064 0.000 0.498 168 H N -2.855 116.155 119.070 -0.101 0.000 2.319 168 H HA -0.368 nan 4.556 nan 0.000 0.299 168 H C 3.014 178.285 175.328 -0.096 0.000 1.092 168 H CA 3.493 59.429 56.048 -0.187 0.000 1.302 168 H CB -0.332 29.301 29.762 -0.215 0.000 1.373 168 H HN 0.109 8.334 8.280 -0.091 0.000 0.497 169 N N -0.583 118.162 118.700 0.074 0.000 2.223 169 N HA -0.301 nan 4.740 nan 0.000 0.185 169 N C 2.054 177.606 175.510 0.071 0.000 1.016 169 N CA 3.041 56.132 53.050 0.068 0.000 0.863 169 N CB -0.396 38.123 38.487 0.052 0.000 0.983 169 N HN 0.112 8.412 8.380 0.050 0.110 0.429 170 F N 1.373 121.295 119.950 -0.046 0.000 2.065 170 F HA -0.484 nan 4.527 nan 0.000 0.298 170 F C 0.873 176.666 175.800 -0.012 0.000 1.112 170 F CA 4.414 62.390 58.000 -0.040 0.000 1.212 170 F CB 0.098 39.053 39.000 -0.075 0.000 0.975 170 F HN 0.132 8.541 8.300 0.183 0.000 0.476 171 Q N -1.122 118.801 119.800 0.205 0.000 2.079 171 Q HA -0.350 nan 4.340 nan 0.000 0.200 171 Q C 2.259 178.431 176.000 0.287 0.000 0.974 171 Q CA 3.162 59.084 55.803 0.200 0.000 0.840 171 Q CB -0.467 28.339 28.738 0.113 0.000 0.898 171 Q HN -0.596 7.767 8.270 0.156 0.000 0.430 172 L N -0.763 120.598 121.223 0.231 0.000 2.046 172 L HA -0.389 nan 4.340 nan 0.000 0.208 172 L C 2.235 179.189 176.870 0.141 0.000 1.077 172 L CA 3.171 58.144 54.840 0.222 0.000 0.747 172 L CB -0.280 41.836 42.059 0.095 0.000 0.896 172 L HN -0.310 8.016 8.230 0.161 0.000 0.432 173 V N -0.486 119.447 119.914 0.032 0.000 2.255 173 V HA -0.388 nan 4.120 nan 0.000 0.243 173 V C 1.916 177.956 176.094 -0.090 0.000 1.038 173 V CA 4.318 66.590 62.300 -0.046 0.000 1.008 173 V CB -0.598 31.157 31.823 -0.114 0.000 0.645 173 V HN 0.669 8.756 8.190 0.014 0.111 0.449 174 N N -0.924 117.651 118.700 -0.208 0.000 2.124 174 N HA -0.145 nan 4.740 nan 0.000 0.188 174 N C 1.758 177.225 175.510 -0.071 0.000 1.045 174 N CA 2.813 55.729 53.050 -0.224 0.000 0.846 174 N CB 0.085 38.256 38.487 -0.526 0.000 1.020 174 N HN 0.271 8.368 8.380 -0.294 0.107 0.432 175 Y N 2.403 122.621 120.300 -0.137 0.000 2.163 175 Y HA -0.343 nan 4.550 nan 0.000 0.288 175 Y C 2.399 178.172 175.900 -0.212 0.000 1.136 175 Y CA 4.206 62.196 58.100 -0.185 0.000 1.147 175 Y CB 0.246 38.553 38.460 -0.255 0.000 0.987 175 Y HN -0.730 7.612 8.280 0.103 0.000 0.509 176 Y N -2.209 118.154 120.300 0.104 0.000 2.490 176 Y HA -0.246 nan 4.550 nan 0.000 0.285 176 Y C -0.258 175.611 175.900 -0.053 0.000 1.117 176 Y CA 2.558 60.660 58.100 0.003 0.000 1.262 176 Y CB 0.221 38.743 38.460 0.104 0.000 1.043 176 Y HN 0.076 8.552 8.280 0.327 0.000 0.553 177 K N -5.992 114.460 120.400 0.086 0.000 3.117 177 K HA -0.356 nan 4.320 nan 0.000 0.269 177 K C -1.078 175.550 176.600 0.046 0.000 1.098 177 K CA 0.059 56.358 56.287 0.021 0.000 0.785 177 K CB -2.313 30.175 32.500 -0.020 0.000 1.242 177 K HN -0.571 7.650 8.250 0.084 0.079 0.491 178 A N -0.864 122.004 122.820 0.079 0.000 2.269 178 A HA 0.176 nan 4.320 nan 0.000 0.327 178 A C -1.610 175.989 177.584 0.026 0.000 1.112 178 A CA -1.014 51.052 52.037 0.049 0.000 0.865 178 A CB 1.288 20.313 19.000 0.042 0.000 1.227 178 A HN 0.326 8.420 8.150 0.114 0.124 0.498 179 E N -1.456 118.752 120.200 0.014 0.000 2.344 179 E HA -0.087 nan 4.350 nan 0.000 0.270 179 E C -1.103 175.509 176.600 0.020 0.000 1.021 179 E CA -0.048 56.359 56.400 0.013 0.000 0.887 179 E CB 0.119 29.824 29.700 0.009 0.000 0.997 179 E HN 0.011 8.376 8.360 0.009 0.000 0.429 180 A N 2.377 125.211 122.820 0.023 0.000 2.354 180 A HA 0.063 nan 4.320 nan 0.000 0.269 180 A C -0.247 177.366 177.584 0.049 0.000 1.109 180 A CA -0.262 51.797 52.037 0.036 0.000 0.800 180 A CB 0.995 20.013 19.000 0.030 0.000 1.045 180 A HN 0.096 8.257 8.150 0.017 0.000 0.489 181 V N 2.300 122.256 119.914 0.070 0.000 2.649 181 V HA -0.018 nan 4.120 nan 0.000 0.292 181 V C -0.379 175.776 176.094 0.102 0.000 1.055 181 V CA 0.090 62.444 62.300 0.090 0.000 1.023 181 V CB 0.974 32.880 31.823 0.139 0.000 0.992 181 V HN -0.041 8.471 8.190 0.074 -0.278 0.480 182 D N 4.743 125.198 120.400 0.092 0.000 2.295 182 D HA 0.010 nan 4.640 nan 0.000 0.248 182 D C -0.175 176.203 176.300 0.130 0.000 1.154 182 D CA -0.574 53.489 54.000 0.104 0.000 0.857 182 D CB 1.395 42.237 40.800 0.070 0.000 1.117 182 D HN -0.256 8.159 8.370 0.076 0.000 0.468 183 Y N 8.167 128.499 120.300 0.053 0.000 2.053 183 Y HA -0.535 nan 4.550 nan 0.000 0.277 183 Y C 1.189 177.130 175.900 0.069 0.000 1.159 183 Y CA 4.341 62.477 58.100 0.060 0.000 1.125 183 Y CB 0.238 38.719 38.460 0.035 0.000 0.969 183 Y HN 0.615 9.060 8.280 0.274 0.000 0.492 184 Q N -2.067 117.692 119.800 -0.068 0.000 2.112 184 Q HA -0.454 nan 4.340 nan 0.000 0.206 184 Q C 2.166 178.086 176.000 -0.133 0.000 0.987 184 Q CA 2.993 58.709 55.803 -0.146 0.000 0.858 184 Q CB -0.710 28.050 28.738 0.036 0.000 0.905 184 Q HN 0.014 8.526 8.270 0.201 -0.121 0.420 185 K N -0.702 119.665 120.400 -0.054 0.000 2.097 185 K HA -0.242 nan 4.320 nan 0.000 0.206 185 K C 2.260 178.831 176.600 -0.048 0.000 1.049 185 K CA 2.875 59.141 56.287 -0.035 0.000 0.933 185 K CB -0.459 32.039 32.500 -0.002 0.000 0.717 185 K HN -0.176 8.417 8.250 -0.010 -0.350 0.442 186 V N 0.506 120.388 119.914 -0.053 0.000 2.323 186 V HA -0.296 nan 4.120 nan 0.000 0.244 186 V C 2.217 178.282 176.094 -0.048 0.000 1.041 186 V CA 4.363 66.650 62.300 -0.021 0.000 1.025 186 V CB -0.854 31.008 31.823 0.064 0.000 0.656 186 V HN -0.403 7.682 8.190 -0.049 0.076 0.451 187 L N 0.117 121.234 121.223 -0.177 0.000 2.013 187 L HA -0.474 nan 4.340 nan 0.000 0.212 187 L C 1.319 178.146 176.870 -0.071 0.000 1.073 187 L CA 3.728 58.483 54.840 -0.142 0.000 0.753 187 L CB -0.766 41.063 42.059 -0.383 0.000 0.890 187 L HN 0.424 8.458 8.230 -0.326 0.000 0.432 188 D N -1.160 119.190 120.400 -0.084 0.000 2.078 188 D HA -0.337 nan 4.640 nan 0.000 0.193 188 D C 2.407 178.681 176.300 -0.044 0.000 0.990 188 D CA 3.569 57.538 54.000 -0.052 0.000 0.827 188 D CB -0.914 39.861 40.800 -0.042 0.000 0.975 188 D HN 0.002 8.303 8.370 -0.115 0.000 0.451 189 D N -0.881 119.495 120.400 -0.040 0.000 2.133 189 D HA -0.283 nan 4.640 nan 0.000 0.195 189 D C 2.071 178.344 176.300 -0.045 0.000 0.997 189 D CA 2.849 56.826 54.000 -0.037 0.000 0.840 189 D CB -0.275 40.505 40.800 -0.032 0.000 0.947 189 D HN -0.195 8.150 8.370 -0.041 0.000 0.452 190 T N 0.885 115.413 114.554 -0.043 0.000 2.698 190 T HA -0.138 nan 4.350 nan 0.000 0.260 190 T C 2.372 177.002 174.700 -0.116 0.000 1.044 190 T CA 3.583 65.642 62.100 -0.067 0.000 1.149 190 T CB -0.011 68.842 68.868 -0.025 0.000 0.864 190 T HN -0.231 7.985 8.240 -0.029 0.006 0.419 191 M N 1.020 120.549 119.600 -0.119 0.000 2.260 191 M HA -0.345 nan 4.480 nan 0.000 0.261 191 M C 1.850 178.101 176.300 -0.083 0.000 1.066 191 M CA 2.536 57.761 55.300 -0.125 0.000 1.082 191 M CB -1.057 31.492 32.600 -0.086 0.000 1.388 191 M HN 0.028 8.266 8.290 -0.087 0.000 0.419 192 A N -3.195 119.588 122.820 -0.063 0.000 2.070 192 A HA -0.063 nan 4.320 nan 0.000 0.220 192 A C 1.281 178.836 177.584 -0.048 0.000 1.159 192 A CA 2.308 54.317 52.037 -0.047 0.000 0.656 192 A CB 0.070 19.048 19.000 -0.038 0.000 0.800 192 A HN -0.254 7.846 8.150 -0.060 0.014 0.453 193 V N -10.017 109.860 119.914 -0.061 0.000 3.432 193 V HA 0.406 nan 4.120 nan 0.000 0.298 193 V C 0.961 177.018 176.094 -0.063 0.000 1.464 193 V CA -0.659 61.608 62.300 -0.055 0.000 1.046 193 V CB -0.588 31.203 31.823 -0.052 0.000 0.887 193 V HN -0.012 7.967 8.190 -0.076 0.165 0.441 194 A N 2.383 125.149 122.820 -0.090 0.000 1.892 194 A HA -0.412 nan 4.320 nan 0.000 0.218 194 A C 1.089 178.649 177.584 -0.041 0.000 1.188 194 A CA 4.013 55.990 52.037 -0.101 0.000 0.631 194 A CB -0.868 18.035 19.000 -0.161 0.000 0.822 194 A HN -0.209 7.766 8.150 -0.102 0.114 0.447 195 D N -1.625 118.758 120.400 -0.029 0.000 2.097 195 D HA -0.289 nan 4.640 nan 0.000 0.195 195 D C 2.195 178.495 176.300 0.000 0.000 0.989 195 D CA 3.305 57.302 54.000 -0.005 0.000 0.827 195 D CB -0.807 39.987 40.800 -0.010 0.000 0.966 195 D HN 0.204 8.550 8.370 -0.040 0.000 0.456 196 I N 0.426 120.989 120.570 -0.010 0.000 2.127 196 I HA -0.389 nan 4.170 nan 0.000 0.241 196 I C 2.158 178.276 176.117 0.002 0.000 1.075 196 I CA 3.110 64.406 61.300 -0.006 0.000 1.334 196 I CB -0.237 37.755 38.000 -0.015 0.000 1.040 196 I HN -0.914 7.284 8.210 -0.020 0.000 0.405 197 L N -0.112 121.108 121.223 -0.005 0.000 1.951 197 L HA -0.499 nan 4.340 nan 0.000 0.222 197 L C 2.601 179.495 176.870 0.041 0.000 1.078 197 L CA 3.830 58.672 54.840 0.003 0.000 0.778 197 L CB -1.334 40.710 42.059 -0.024 0.000 0.893 197 L HN 0.421 8.639 8.230 -0.020 0.000 0.436 198 T N -4.493 110.102 114.554 0.068 0.000 2.897 198 T HA -0.306 nan 4.350 nan 0.000 0.271 198 T C 3.108 177.869 174.700 0.102 0.000 1.084 198 T CA 3.573 65.767 62.100 0.158 0.000 1.123 198 T CB -0.543 68.460 68.868 0.226 0.000 0.865 198 T HN 0.609 8.761 8.240 0.041 0.112 0.496 199 S N 4.651 120.381 115.700 0.051 0.000 2.402 199 S HA -0.203 nan 4.470 nan 0.000 0.229 199 S C 0.992 175.612 174.600 0.034 0.000 1.021 199 S CA 2.996 61.214 58.200 0.029 0.000 0.974 199 S CB -0.361 62.847 63.200 0.014 0.000 0.800 199 S HN 0.317 8.429 8.310 0.039 0.222 0.484 200 M N -0.224 119.402 119.600 0.042 0.000 2.561 200 M HA 0.033 nan 4.480 nan 0.000 0.238 200 M C -0.995 175.342 176.300 0.062 0.000 1.131 200 M CA -0.047 55.279 55.300 0.044 0.000 1.046 200 M CB 0.789 33.410 32.600 0.035 0.000 1.532 200 M HN -0.528 7.671 8.290 0.044 0.117 0.497 201 V N 0.629 120.596 119.914 0.088 0.000 2.788 201 V HA 0.090 nan 4.120 nan 0.000 0.307 201 V C -0.519 175.625 176.094 0.084 0.000 1.069 201 V CA 2.034 64.404 62.300 0.116 0.000 1.173 201 V CB -0.101 31.852 31.823 0.217 0.000 0.925 201 V HN -0.801 7.271 8.190 0.095 0.175 0.492 202 V N 4.585 124.550 119.914 0.084 0.000 3.147 202 V HA 0.296 nan 4.120 nan 0.000 0.306 202 V C -2.174 173.961 176.094 0.069 0.000 1.209 202 V CA -1.799 60.539 62.300 0.064 0.000 1.023 202 V CB 4.633 36.490 31.823 0.056 0.000 1.059 202 V HN 0.619 8.864 8.190 0.093 0.000 0.435 203 D N 4.287 124.720 120.400 0.054 0.000 2.483 203 D HA 0.095 nan 4.640 nan 0.000 0.220 203 D C 0.753 177.075 176.300 0.037 0.000 1.173 203 D CA -0.467 53.565 54.000 0.054 0.000 0.964 203 D CB -0.719 40.108 40.800 0.044 0.000 1.046 203 D HN -0.042 8.354 8.370 0.043 0.000 0.517 204 V N 5.255 125.197 119.914 0.045 0.000 2.324 204 V HA -0.458 nan 4.120 nan 0.000 0.250 204 V C 1.589 177.698 176.094 0.024 0.000 1.060 204 V CA 3.625 65.944 62.300 0.031 0.000 1.042 204 V CB -0.390 31.469 31.823 0.061 0.000 0.650 204 V HN -0.131 8.095 8.190 0.061 0.000 0.450 205 S N -0.166 115.561 115.700 0.045 0.000 2.351 205 S HA -0.378 nan 4.470 nan 0.000 0.220 205 S C 2.069 176.683 174.600 0.024 0.000 1.035 205 S CA 3.806 62.035 58.200 0.049 0.000 1.031 205 S CB -0.925 62.309 63.200 0.056 0.000 0.928 205 S HN -0.009 8.334 8.310 0.054 0.000 0.433 206 D N 2.071 122.482 120.400 0.018 0.000 2.149 206 D HA -0.221 nan 4.640 nan 0.000 0.198 206 D C 2.037 178.325 176.300 -0.020 0.000 0.990 206 D CA 2.895 56.898 54.000 0.006 0.000 0.839 206 D CB 0.074 40.882 40.800 0.013 0.000 0.948 206 D HN -0.657 8.011 8.370 0.027 -0.282 0.460 207 L N 0.173 121.375 121.223 -0.036 0.000 1.970 207 L HA -0.418 nan 4.340 nan 0.000 0.212 207 L C 1.533 178.310 176.870 -0.156 0.000 1.071 207 L CA 3.510 58.296 54.840 -0.091 0.000 0.751 207 L CB -0.074 41.914 42.059 -0.119 0.000 0.889 207 L HN -0.069 8.151 8.230 -0.017 0.000 0.432 208 L N -2.812 118.324 121.223 -0.146 0.000 2.127 208 L HA -0.519 nan 4.340 nan 0.000 0.211 208 L C 2.516 179.346 176.870 -0.067 0.000 1.089 208 L CA 3.123 57.889 54.840 -0.122 0.000 0.757 208 L CB -0.696 41.367 42.059 0.007 0.000 0.899 208 L HN -0.008 8.162 8.230 -0.099 0.000 0.434 209 D N -0.712 119.660 120.400 -0.047 0.000 2.084 209 D HA -0.284 nan 4.640 nan 0.000 0.196 209 D C 1.953 178.206 176.300 -0.078 0.000 0.985 209 D CA 3.550 57.512 54.000 -0.064 0.000 0.826 209 D CB 0.077 40.862 40.800 -0.025 0.000 0.978 209 D HN 0.150 8.419 8.370 -0.029 0.083 0.456 210 Q N -1.282 118.487 119.800 -0.051 0.000 2.119 210 Q HA -0.280 nan 4.340 nan 0.000 0.201 210 Q C 2.509 178.499 176.000 -0.017 0.000 0.972 210 Q CA 2.727 58.512 55.803 -0.031 0.000 0.847 210 Q CB -0.198 28.534 28.738 -0.009 0.000 0.903 210 Q HN 0.078 8.320 8.270 -0.045 0.000 0.433 211 A N 0.236 123.037 122.820 -0.031 0.000 1.972 211 A HA -0.327 nan 4.320 nan 0.000 0.219 211 A C 1.565 179.174 177.584 0.040 0.000 1.169 211 A CA 3.057 55.117 52.037 0.038 0.000 0.635 211 A CB -0.962 17.977 19.000 -0.102 0.000 0.810 211 A HN 0.895 8.882 8.150 -0.082 0.114 0.446 212 R N -1.434 119.050 120.500 -0.026 0.000 2.061 212 R HA -0.292 nan 4.340 nan 0.000 0.230 212 R C 2.942 179.202 176.300 -0.066 0.000 1.140 212 R CA 3.131 59.198 56.100 -0.056 0.000 0.940 212 R CB -0.353 29.828 30.300 -0.197 0.000 0.839 212 R HN -0.218 7.809 8.270 -0.061 0.206 0.429 213 Q N -0.842 118.902 119.800 -0.094 0.000 2.234 213 Q HA -0.248 nan 4.340 nan 0.000 0.206 213 Q C 2.223 178.212 176.000 -0.018 0.000 0.980 213 Q CA 2.778 58.541 55.803 -0.067 0.000 0.869 213 Q CB -0.263 28.438 28.738 -0.062 0.000 0.912 213 Q HN -0.184 8.019 8.270 -0.110 0.000 0.436 214 R N -3.572 116.929 120.500 0.002 0.000 2.236 214 R HA -0.068 nan 4.340 nan 0.000 0.208 214 R C 0.785 177.102 176.300 0.028 0.000 1.036 214 R CA 0.486 56.596 56.100 0.017 0.000 1.001 214 R CB 0.452 30.771 30.300 0.032 0.000 0.896 214 R HN -0.290 7.877 8.270 0.001 0.104 0.464 215 G N -1.977 106.854 108.800 0.053 0.000 2.132 215 G HA2 -0.402 nan 3.960 nan 0.000 0.234 215 G HA3 -0.402 nan 3.960 nan 0.000 0.234 215 G C -0.317 174.663 174.900 0.132 0.000 0.989 215 G CA -0.106 45.050 45.100 0.092 0.000 0.676 215 G HN -0.236 7.911 8.290 0.046 0.171 0.522 216 D N 0.659 121.137 120.400 0.130 0.000 2.399 216 D HA -0.040 nan 4.640 nan 0.000 0.241 216 D C -0.541 175.957 176.300 0.329 0.000 1.133 216 D CA 0.654 54.743 54.000 0.148 0.000 0.890 216 D CB 0.622 41.551 40.800 0.215 0.000 1.201 216 D HN -0.317 8.100 8.370 0.120 0.025 0.432 217 F N 1.343 121.248 119.950 -0.076 0.000 2.462 217 F HA 0.008 nan 4.527 nan 0.000 0.360 217 F C -0.369 175.469 175.800 0.062 0.000 1.134 217 F CA -1.276 56.613 58.000 -0.185 0.000 1.148 217 F CB -0.608 37.862 39.000 -0.883 0.000 1.147 217 F HN 0.232 8.572 8.300 0.068 0.000 0.550 218 V N 6.123 126.274 119.914 0.395 0.000 2.547 218 V HA 0.620 nan 4.120 nan 0.000 0.299 218 V C -1.921 174.308 176.094 0.224 0.000 1.040 218 V CA -1.716 60.713 62.300 0.216 0.000 0.913 218 V CB 2.238 34.062 31.823 0.002 0.000 0.992 218 V HN 0.469 8.933 8.190 0.456 0.000 0.449 219 M N 4.518 124.140 119.600 0.037 0.000 2.259 219 M HA 0.641 nan 4.480 nan 0.000 0.304 219 M C -2.189 174.048 176.300 -0.106 0.000 1.019 219 M CA -1.191 54.162 55.300 0.089 0.000 0.922 219 M CB 3.767 36.484 32.600 0.195 0.000 1.600 219 M HN 0.376 8.660 8.290 -0.011 0.000 0.433 220 F N 5.194 125.273 119.950 0.214 0.000 2.436 220 F HA 0.617 nan 4.527 nan 0.000 0.340 220 F C -1.849 174.148 175.800 0.329 0.000 1.113 220 F CA -1.434 56.759 58.000 0.323 0.000 1.022 220 F CB 1.494 40.695 39.000 0.336 0.000 1.128 220 F HN 0.689 9.275 8.300 0.477 0.000 0.466 221 E N 4.480 124.903 120.200 0.371 0.000 2.133 221 E HA 0.607 nan 4.350 nan 0.000 0.274 221 E C -0.560 176.021 176.600 -0.033 0.000 0.930 221 E CA -2.055 54.460 56.400 0.193 0.000 0.770 221 E CB 2.962 32.745 29.700 0.140 0.000 1.104 221 E HN 0.800 9.236 8.360 0.330 0.122 0.403 222 G N 4.754 113.582 108.800 0.046 0.000 2.562 222 G HA2 0.368 nan 3.960 nan 0.000 0.275 222 G HA3 0.368 nan 3.960 nan 0.000 0.275 222 G C -1.670 173.246 174.900 0.026 0.000 1.196 222 G CA -0.748 44.292 45.100 -0.099 0.000 0.908 222 G HN 0.356 8.744 8.290 0.163 0.000 0.524 223 A N 0.486 123.312 122.820 0.011 0.000 2.413 223 A HA 0.440 nan 4.320 nan 0.000 0.307 223 A C -1.341 176.309 177.584 0.109 0.000 1.087 223 A CA -0.917 51.209 52.037 0.149 0.000 0.750 223 A CB 2.387 21.432 19.000 0.076 0.000 1.296 223 A HN 0.204 8.673 8.150 -0.066 -0.358 0.423 224 Q N -0.500 119.378 119.800 0.130 0.000 0.833 224 Q HA -0.349 nan 4.340 nan 0.000 0.346 224 Q C -0.806 175.227 176.000 0.054 0.000 1.057 224 Q CA 1.347 57.203 55.803 0.089 0.000 0.455 224 Q CB -0.393 28.395 28.738 0.084 0.000 5.217 224 Q HN 0.507 8.899 8.270 0.203 0.000 0.410 225 G N -5.468 103.358 108.800 0.045 0.000 2.642 225 G HA2 0.404 nan 3.960 nan 0.000 0.293 225 G HA3 0.404 nan 3.960 nan 0.000 0.293 225 G C 0.011 174.902 174.900 -0.015 0.000 1.341 225 G CA -1.265 43.831 45.100 -0.006 0.000 0.916 225 G HN -0.378 7.949 8.290 0.062 0.000 0.474 226 T N 4.682 119.204 114.554 -0.054 0.000 2.649 226 T HA -0.433 nan 4.350 nan 0.000 0.268 226 T C 2.492 177.179 174.700 -0.023 0.000 1.036 226 T CA 5.172 67.249 62.100 -0.037 0.000 1.157 226 T CB -0.096 68.726 68.868 -0.076 0.000 0.861 226 T HN 0.672 8.767 8.240 -0.063 0.107 0.445 227 L N -1.133 120.006 121.223 -0.140 0.000 2.610 227 L HA -0.118 nan 4.340 nan 0.000 0.232 227 L C 0.434 177.389 176.870 0.141 0.000 1.149 227 L CA 1.502 56.330 54.840 -0.020 0.000 0.872 227 L CB -0.782 41.168 42.059 -0.183 0.000 0.992 227 L HN -0.226 7.811 8.230 -0.321 0.000 0.447 228 L N -3.086 118.204 121.223 0.111 0.000 2.693 228 L HA 0.062 nan 4.340 nan 0.000 0.235 228 L C -0.529 176.402 176.870 0.101 0.000 1.127 228 L CA -0.942 53.976 54.840 0.130 0.000 0.914 228 L CB 0.315 42.445 42.059 0.118 0.000 1.193 228 L HN 0.326 8.390 8.230 0.056 0.199 0.502 229 D N 1.208 121.670 120.400 0.103 0.000 2.493 229 D HA -0.189 nan 4.640 nan 0.000 0.240 229 D C 0.982 177.324 176.300 0.069 0.000 1.142 229 D CA 1.943 55.998 54.000 0.091 0.000 0.872 229 D CB 1.575 42.460 40.800 0.142 0.000 1.173 229 D HN -0.561 7.711 8.370 0.107 0.163 0.467 230 I N 7.203 127.784 120.570 0.018 0.000 2.248 230 I HA -0.418 nan 4.170 nan 0.000 0.248 230 I C 0.078 176.178 176.117 -0.030 0.000 1.107 230 I CA 2.291 63.601 61.300 0.017 0.000 1.373 230 I CB 0.452 38.417 38.000 -0.058 0.000 1.055 230 I HN 0.155 8.362 8.210 -0.004 0.000 0.418 231 D N -2.529 117.781 120.400 -0.151 0.000 2.290 231 D HA 0.018 nan 4.640 nan 0.000 0.224 231 D C 1.329 177.415 176.300 -0.357 0.000 0.967 231 D CA 3.144 56.933 54.000 -0.352 0.000 0.893 231 D CB 0.778 41.212 40.800 -0.610 0.000 1.037 231 D HN 0.179 8.830 8.370 -0.131 -0.359 0.477 232 H N -2.856 116.245 119.070 0.050 0.000 2.553 232 H HA 0.188 nan 4.556 nan 0.000 0.265 232 H C 0.540 175.954 175.328 0.143 0.000 0.964 232 H CA 0.577 56.673 56.048 0.080 0.000 1.156 232 H CB 0.623 30.416 29.762 0.051 0.000 1.411 232 H HN -0.384 8.077 8.280 -0.223 -0.314 0.558 233 G N -2.117 106.812 108.800 0.214 0.000 2.525 233 G HA2 0.195 nan 3.960 nan 0.000 0.287 233 G HA3 0.195 nan 3.960 nan 0.000 0.287 233 G C 0.077 175.157 174.900 0.299 0.000 1.350 233 G CA -0.810 44.435 45.100 0.242 0.000 1.039 233 G HN -0.496 7.754 8.290 0.150 0.130 0.513 234 T N -0.052 114.653 114.554 0.252 0.000 4.508 234 T HA 0.061 nan 4.350 nan 0.000 0.232 234 T C -0.572 174.284 174.700 0.260 0.000 1.027 234 T CA -1.202 61.033 62.100 0.225 0.000 0.999 234 T CB -2.311 66.508 68.868 -0.081 0.000 1.402 234 T HN -0.110 8.256 8.240 0.210 0.000 1.003 235 Y N 5.580 125.974 120.300 0.156 0.000 2.702 235 Y HA -0.174 nan 4.550 nan 0.000 0.336 235 Y C -1.315 174.649 175.900 0.106 0.000 1.235 235 Y CA -0.256 57.896 58.100 0.087 0.000 1.492 235 Y CB 0.863 39.358 38.460 0.059 0.000 1.308 235 Y HN 0.415 8.863 8.280 0.410 0.078 0.589 236 P HA 0.047 nan 4.420 nan 0.000 0.262 236 P C -1.156 175.738 177.300 -0.676 0.000 1.304 236 P CA 0.681 63.107 63.100 -1.122 0.000 0.859 236 P CB 0.003 30.963 31.700 -1.233 0.000 1.310 237 Y N 2.501 122.701 120.300 -0.166 0.000 2.735 237 Y HA -0.035 nan 4.550 nan 0.000 0.354 237 Y C -1.702 174.167 175.900 -0.051 0.000 1.288 237 Y CA 0.213 58.250 58.100 -0.104 0.000 1.836 237 Y CB -2.624 35.775 38.460 -0.101 0.000 1.920 237 Y HN -0.066 8.153 8.280 0.009 0.067 0.438 238 V N -5.435 114.474 119.914 -0.010 0.000 3.156 238 V HA 0.626 nan 4.120 nan 0.000 0.310 238 V C -1.391 174.719 176.094 0.027 0.000 1.234 238 V CA -3.289 59.044 62.300 0.055 0.000 1.065 238 V CB 3.459 35.346 31.823 0.106 0.000 1.088 238 V HN -0.192 7.861 8.190 -0.133 0.057 0.451 239 T N 0.216 114.797 114.554 0.045 0.000 2.929 239 T HA 0.341 nan 4.350 nan 0.000 0.284 239 T C -0.035 174.665 174.700 0.000 0.000 1.014 239 T CA -2.143 59.975 62.100 0.031 0.000 1.051 239 T CB 0.650 69.546 68.868 0.047 0.000 1.028 239 T HN 0.267 8.435 8.240 0.062 0.109 0.485 240 S N 4.528 120.217 115.700 -0.019 0.000 2.720 240 S HA 0.073 nan 4.470 nan 0.000 0.222 240 S C -0.463 173.845 174.600 -0.487 0.000 0.958 240 S CA 1.334 59.455 58.200 -0.131 0.000 0.943 240 S CB 0.154 63.356 63.200 0.004 0.000 0.779 240 S HN 0.405 8.737 8.310 0.037 0.000 0.526 241 S N -1.358 114.125 115.700 -0.362 0.000 2.638 241 S HA 0.196 nan 4.470 nan 0.000 0.302 241 S C -1.504 173.014 174.600 -0.136 0.000 1.096 241 S CA -1.975 55.972 58.200 -0.422 0.000 0.953 241 S CB 3.083 66.121 63.200 -0.271 0.000 1.107 241 S HN -0.558 7.571 8.310 -0.159 0.086 0.503 242 N N 2.046 120.700 118.700 -0.076 0.000 2.605 242 N HA 0.094 nan 4.740 nan 0.000 0.258 242 N C 0.342 175.911 175.510 0.098 0.000 1.156 242 N CA 0.575 53.635 53.050 0.017 0.000 1.008 242 N CB -0.034 38.464 38.487 0.020 0.000 1.354 242 N HN 0.322 8.639 8.380 -0.105 0.000 0.509 243 T N -1.924 112.690 114.554 0.100 0.000 3.163 243 T HA -0.044 nan 4.350 nan 0.000 0.260 243 T C 0.866 175.654 174.700 0.147 0.000 1.156 243 T CA 0.838 63.022 62.100 0.141 0.000 1.072 243 T CB -0.299 68.629 68.868 0.099 0.000 0.937 243 T HN -0.319 7.984 8.240 0.072 -0.020 0.528 244 T N -1.733 112.892 114.554 0.117 0.000 2.899 244 T HA 0.288 nan 4.350 nan 0.000 0.284 244 T C 0.959 175.665 174.700 0.010 0.000 1.004 244 T CA -2.374 59.766 62.100 0.066 0.000 1.043 244 T CB 1.789 70.700 68.868 0.071 0.000 1.013 244 T HN -0.440 8.081 8.240 0.121 -0.208 0.518 245 A N 2.296 125.085 122.820 -0.052 0.000 2.054 245 A HA -0.407 nan 4.320 nan 0.000 0.223 245 A C 2.162 179.625 177.584 -0.201 0.000 1.169 245 A CA 3.037 54.985 52.037 -0.148 0.000 0.655 245 A CB -0.773 18.138 19.000 -0.149 0.000 0.812 245 A HN 0.424 8.873 8.150 -0.044 -0.326 0.462 246 G N -1.522 107.206 108.800 -0.121 0.000 2.448 246 G HA2 -0.370 nan 3.960 nan 0.000 0.219 246 G HA3 -0.370 nan 3.960 nan 0.000 0.219 246 G C 1.275 176.098 174.900 -0.127 0.000 1.127 246 G CA 0.921 45.954 45.100 -0.112 0.000 0.766 246 G HN 0.174 8.380 8.290 -0.075 0.040 0.552 247 G N 0.232 108.971 108.800 -0.103 0.000 2.432 247 G HA2 -0.273 nan 3.960 nan 0.000 0.219 247 G HA3 -0.273 nan 3.960 nan 0.000 0.219 247 G C 0.686 175.436 174.900 -0.251 0.000 1.135 247 G CA 1.656 46.725 45.100 -0.052 0.000 0.767 247 G HN 0.605 8.712 8.290 -0.063 0.145 0.550 248 V N 2.826 122.324 119.914 -0.695 0.000 2.252 248 V HA -0.475 nan 4.120 nan 0.000 0.249 248 V C 2.052 177.876 176.094 -0.450 0.000 1.056 248 V CA 4.114 65.810 62.300 -1.007 0.000 1.022 248 V CB -0.682 30.504 31.823 -1.062 0.000 0.641 248 V HN -0.401 7.292 8.190 -0.608 0.132 0.445 249 A N -2.355 120.265 122.820 -0.334 0.000 1.898 249 A HA -0.268 nan 4.320 nan 0.000 0.216 249 A C 2.006 179.545 177.584 -0.075 0.000 1.181 249 A CA 3.455 55.382 52.037 -0.184 0.000 0.620 249 A CB -0.764 18.139 19.000 -0.161 0.000 0.819 249 A HN -0.140 7.800 8.150 -0.350 0.000 0.442 250 T N -3.804 110.717 114.554 -0.056 0.000 2.867 250 T HA -0.126 nan 4.350 nan 0.000 0.268 250 T C 2.017 176.755 174.700 0.064 0.000 1.057 250 T CA 3.105 65.210 62.100 0.009 0.000 1.136 250 T CB -0.087 68.790 68.868 0.015 0.000 0.874 250 T HN -0.391 7.796 8.240 -0.088 0.000 0.466 251 G N -0.052 108.808 108.800 0.099 0.000 2.985 251 G HA2 0.190 nan 3.960 nan 0.000 0.209 251 G HA3 0.190 nan 3.960 nan 0.000 0.209 251 G C 0.104 175.130 174.900 0.210 0.000 1.165 251 G CA 0.270 45.484 45.100 0.190 0.000 0.776 251 G HN 0.521 8.732 8.290 0.059 0.114 0.541 252 S N -0.627 115.171 115.700 0.164 0.000 2.930 252 S HA 0.260 nan 4.470 nan 0.000 0.253 252 S C 1.026 175.708 174.600 0.138 0.000 1.083 252 S CA 0.731 59.050 58.200 0.198 0.000 0.836 252 S CB 2.551 65.937 63.200 0.311 0.000 0.814 252 S HN -0.687 7.630 8.310 0.100 0.053 0.467 253 G N 2.413 111.271 108.800 0.097 0.000 2.184 253 G HA2 -0.302 nan 3.960 nan 0.000 0.206 253 G HA3 -0.302 nan 3.960 nan 0.000 0.206 253 G C -1.478 173.475 174.900 0.088 0.000 0.995 253 G CA 0.016 45.164 45.100 0.080 0.000 0.651 253 G HN -0.225 8.108 8.290 0.071 0.000 0.511 254 L N 1.743 123.026 121.223 0.101 0.000 2.319 254 L HA 0.087 nan 4.340 nan 0.000 0.280 254 L C -0.181 176.746 176.870 0.095 0.000 1.099 254 L CA 0.001 54.924 54.840 0.139 0.000 0.828 254 L CB 0.863 43.028 42.059 0.175 0.000 1.150 254 L HN -0.699 7.543 8.230 0.100 0.048 0.442 255 G N 5.083 113.996 108.800 0.187 0.000 2.305 255 G HA2 0.061 nan 3.960 nan 0.000 0.243 255 G HA3 0.061 nan 3.960 nan 0.000 0.243 255 G C -0.338 174.479 174.900 -0.139 0.000 1.288 255 G CA -1.506 43.607 45.100 0.022 0.000 0.901 255 G HN 0.178 8.660 8.290 0.320 0.000 0.516 256 P HA -0.333 nan 4.420 nan 0.000 0.218 256 P C 1.745 178.890 177.300 -0.259 0.000 1.152 256 P CA 2.404 65.382 63.100 -0.205 0.000 0.857 256 P CB 0.209 31.808 31.700 -0.168 0.000 0.787 257 R N -2.765 117.497 120.500 -0.397 0.000 2.237 257 R HA -0.147 nan 4.340 nan 0.000 0.219 257 R C 1.547 177.582 176.300 -0.442 0.000 1.080 257 R CA 1.910 57.741 56.100 -0.448 0.000 0.995 257 R CB -0.336 29.639 30.300 -0.541 0.000 0.875 257 R HN 0.232 8.209 8.270 -0.438 0.030 0.462 258 Y N -3.395 116.882 120.300 -0.039 0.000 2.502 258 Y HA -0.081 nan 4.550 nan 0.000 0.295 258 Y C -0.463 175.428 175.900 -0.016 0.000 1.193 258 Y CA 0.090 58.186 58.100 -0.007 0.000 1.295 258 Y CB -0.988 37.488 38.460 0.026 0.000 1.059 258 Y HN 0.001 7.854 8.280 -0.446 0.160 0.514 259 V N 0.044 119.953 119.914 -0.009 0.000 2.488 259 V HA -0.187 nan 4.120 nan 0.000 0.277 259 V C 0.008 176.108 176.094 0.010 0.000 1.046 259 V CA 0.476 62.754 62.300 -0.037 0.000 0.986 259 V CB -0.633 31.099 31.823 -0.151 0.000 0.989 259 V HN -0.802 7.268 8.190 -0.094 0.064 0.475 260 D N 6.145 126.582 120.400 0.063 0.000 2.394 260 D HA 0.138 nan 4.640 nan 0.000 0.226 260 D C -0.891 175.456 176.300 0.079 0.000 0.990 260 D CA 1.570 55.612 54.000 0.071 0.000 0.902 260 D CB 1.738 42.602 40.800 0.106 0.000 1.038 260 D HN 0.460 8.886 8.370 0.093 0.000 0.499 261 Y N -0.451 119.799 120.300 -0.083 0.000 2.396 261 Y HA 0.087 nan 4.550 nan 0.000 0.332 261 Y C -2.911 172.920 175.900 -0.116 0.000 1.034 261 Y CA -0.574 57.456 58.100 -0.117 0.000 1.057 261 Y CB 3.507 41.871 38.460 -0.161 0.000 1.220 261 Y HN -0.285 8.071 8.280 0.127 0.000 0.440 262 V N 7.869 127.691 119.914 -0.154 0.000 2.313 262 V HA 0.497 nan 4.120 nan 0.000 0.278 262 V C -2.029 174.024 176.094 -0.068 0.000 1.017 262 V CA -1.357 60.899 62.300 -0.072 0.000 0.823 262 V CB 0.580 32.305 31.823 -0.163 0.000 1.010 262 V HN 0.573 8.446 8.190 -0.528 0.000 0.443 263 L N 9.200 130.530 121.223 0.177 0.000 2.257 263 L HA 0.710 nan 4.340 nan 0.000 0.290 263 L C -1.385 175.543 176.870 0.096 0.000 1.044 263 L CA -1.646 53.322 54.840 0.214 0.000 0.810 263 L CB 2.839 45.045 42.059 0.246 0.000 1.193 263 L HN 1.189 9.413 8.230 0.188 0.118 0.425 264 G N 7.144 115.982 108.800 0.063 0.000 2.338 264 G HA2 0.425 nan 3.960 nan 0.000 0.295 264 G HA3 0.425 nan 3.960 nan 0.000 0.295 264 G C -1.252 173.792 174.900 0.240 0.000 1.132 264 G CA -1.153 44.028 45.100 0.135 0.000 0.922 264 G HN 1.282 9.449 8.290 -0.005 0.120 0.427 265 I N 6.988 127.638 120.570 0.134 0.000 2.396 265 I HA 0.336 nan 4.170 nan 0.000 0.289 265 I C -1.387 174.765 176.117 0.058 0.000 1.056 265 I CA -1.505 59.848 61.300 0.088 0.000 1.365 265 I CB -0.790 37.225 38.000 0.025 0.000 1.407 265 I HN 1.039 9.305 8.210 0.093 0.000 0.509 266 L N 9.479 130.715 121.223 0.022 0.000 2.372 266 L HA 0.496 nan 4.340 nan 0.000 0.273 266 L C -2.403 174.416 176.870 -0.084 0.000 0.989 266 L CA -1.577 53.205 54.840 -0.097 0.000 0.841 266 L CB 3.322 45.178 42.059 -0.339 0.000 1.225 266 L HN 0.761 9.017 8.230 0.045 0.000 0.414 267 K N 7.346 127.689 120.400 -0.096 0.000 2.295 267 K HA 0.053 nan 4.320 nan 0.000 0.270 267 K C -0.023 176.567 176.600 -0.017 0.000 1.011 267 K CA 0.071 56.291 56.287 -0.111 0.000 0.953 267 K CB 1.255 33.587 32.500 -0.280 0.000 0.956 267 K HN 0.700 9.309 8.250 -0.109 -0.425 0.477 268 A N 4.334 127.226 122.820 0.119 0.000 2.131 268 A HA -0.260 nan 4.320 nan 0.000 0.220 268 A C -1.481 176.418 177.584 0.525 0.000 1.158 268 A CA 2.471 54.738 52.037 0.383 0.000 0.665 268 A CB 0.242 19.533 19.000 0.485 0.000 0.795 268 A HN 0.954 9.066 8.150 0.104 0.101 0.460 269 Y N -8.030 112.417 120.300 0.245 0.000 2.974 269 Y HA 0.682 nan 4.550 nan 0.000 0.310 269 Y C -2.054 174.007 175.900 0.269 0.000 1.526 269 Y CA -3.754 54.514 58.100 0.280 0.000 1.087 269 Y CB 1.873 40.445 38.460 0.187 0.000 1.404 269 Y HN -0.885 7.232 8.280 -0.168 0.062 0.491 270 S N -0.111 115.828 115.700 0.399 0.000 2.566 270 S HA 0.402 nan 4.470 nan 0.000 0.298 270 S C -1.653 173.147 174.600 0.334 0.000 1.083 270 S CA -1.179 57.250 58.200 0.382 0.000 0.978 270 S CB 3.239 66.907 63.200 0.780 0.000 1.073 270 S HN 0.751 9.300 8.310 0.587 0.113 0.491 271 T N -2.505 112.114 114.554 0.108 0.000 2.883 271 T HA 0.510 nan 4.350 nan 0.000 0.301 271 T C -2.037 172.458 174.700 -0.341 0.000 1.158 271 T CA -1.788 60.277 62.100 -0.058 0.000 1.007 271 T CB 3.030 71.883 68.868 -0.024 0.000 1.186 271 T HN 0.180 8.524 8.240 0.174 0.000 0.499 272 R N -0.991 119.235 120.500 -0.456 0.000 2.698 272 R HA 0.585 nan 4.340 nan 0.000 0.275 272 R C -2.753 173.393 176.300 -0.257 0.000 1.001 272 R CA -0.515 55.266 56.100 -0.532 0.000 0.896 272 R CB 4.862 34.558 30.300 -1.006 0.000 1.218 272 R HN 0.453 8.450 8.270 -0.279 0.106 0.462 273 V N 2.597 122.411 119.914 -0.167 0.000 2.482 273 V HA 0.482 nan 4.120 nan 0.000 0.295 273 V C -1.440 174.607 176.094 -0.078 0.000 1.026 273 V CA -1.269 60.974 62.300 -0.094 0.000 0.856 273 V CB 1.058 32.858 31.823 -0.039 0.000 1.001 273 V HN 0.589 8.687 8.190 -0.153 0.000 0.424 274 G N 7.363 116.118 108.800 -0.074 0.000 2.408 274 G HA2 -0.188 nan 3.960 nan 0.000 0.682 274 G HA3 -0.188 nan 3.960 nan 0.000 0.682 274 G C -1.959 172.892 174.900 -0.081 0.000 1.303 274 G CA -0.612 44.463 45.100 -0.042 0.000 0.966 274 G HN -0.219 8.023 8.290 -0.079 0.000 0.560 275 A N -1.159 121.642 122.820 -0.032 0.000 2.286 275 A HA 0.516 nan 4.320 nan 0.000 0.286 275 A C -1.437 175.965 177.584 -0.302 0.000 1.097 275 A CA -0.489 51.453 52.037 -0.159 0.000 0.821 275 A CB 1.158 20.089 19.000 -0.115 0.000 1.076 275 A HN 0.324 8.511 8.150 0.061 0.000 0.490 276 G N -2.596 105.893 108.800 -0.519 0.000 2.317 276 G HA2 -0.097 nan 3.960 nan 0.000 0.445 276 G HA3 -0.097 nan 3.960 nan 0.000 0.445 276 G C -3.339 171.321 174.900 -0.401 0.000 1.486 276 G CA -0.939 43.866 45.100 -0.491 0.000 0.991 276 G HN -0.432 7.572 8.290 -0.477 0.000 0.660 277 P HA -0.002 nan 4.420 nan 0.000 0.264 277 P C -1.865 175.223 177.300 -0.353 0.000 1.179 277 P CA 0.703 63.589 63.100 -0.358 0.000 0.763 277 P CB 0.231 31.513 31.700 -0.697 0.000 0.806 278 F N 2.721 122.455 119.950 -0.360 0.000 3.020 278 F HA 0.252 nan 4.527 nan 0.000 0.389 278 F C -2.253 173.481 175.800 -0.111 0.000 1.265 278 F CA -4.006 53.763 58.000 -0.386 0.000 1.195 278 F CB -0.485 38.202 39.000 -0.522 0.000 2.250 278 F HN -0.033 8.263 8.300 -0.007 0.000 0.627 279 P HA -0.257 nan 4.420 nan 0.000 0.220 279 P C -0.327 176.990 177.300 0.028 0.000 1.155 279 P CA 2.504 65.642 63.100 0.063 0.000 0.880 279 P CB 0.103 31.799 31.700 -0.007 0.000 0.790 280 T N -9.254 105.324 114.554 0.039 0.000 3.235 280 T HA 0.083 nan 4.350 nan 0.000 0.251 280 T C -0.066 174.374 174.700 -0.435 0.000 1.060 280 T CA -1.815 60.336 62.100 0.086 0.000 0.949 280 T CB -1.112 68.027 68.868 0.452 0.000 1.020 280 T HN -0.090 8.253 8.240 0.199 0.016 0.564 281 E N 2.136 121.712 120.200 -1.041 0.000 2.452 281 E HA -0.111 nan 4.350 nan 0.000 0.261 281 E C -0.859 175.353 176.600 -0.647 0.000 0.987 281 E CA 0.701 56.320 56.400 -1.301 0.000 0.926 281 E CB 0.638 29.663 29.700 -1.126 0.000 0.934 281 E HN -0.233 7.427 8.360 -0.879 0.173 0.452 282 L N 5.893 126.700 121.223 -0.694 0.000 2.325 282 L HA 0.228 nan 4.340 nan 0.000 0.281 282 L C -0.973 175.588 176.870 -0.515 0.000 1.004 282 L CA -0.899 53.679 54.840 -0.436 0.000 0.823 282 L CB 1.530 43.319 42.059 -0.450 0.000 1.236 282 L HN 0.700 8.376 8.230 -0.746 0.107 0.415 283 F N 0.958 120.818 119.950 -0.149 0.000 2.668 283 F HA 0.180 nan 4.527 nan 0.000 0.301 283 F C -0.588 175.156 175.800 -0.093 0.000 1.106 283 F CA -0.935 56.998 58.000 -0.110 0.000 1.289 283 F CB 0.269 39.216 39.000 -0.089 0.000 1.006 283 F HN 0.290 8.777 8.300 0.313 0.000 0.535 284 D N -0.033 120.387 120.400 0.033 0.000 2.616 284 D HA 0.108 nan 4.640 nan 0.000 0.260 284 D C 1.033 177.305 176.300 -0.046 0.000 1.158 284 D CA -1.647 52.352 54.000 -0.000 0.000 1.085 284 D CB 0.950 41.745 40.800 -0.009 0.000 1.222 284 D HN -0.393 7.886 8.370 -0.040 0.067 0.626 285 E N -1.147 119.026 120.200 -0.044 0.000 2.114 285 E HA -0.350 nan 4.350 nan 0.000 0.199 285 E C 2.387 178.952 176.600 -0.059 0.000 1.008 285 E CA 4.243 60.615 56.400 -0.046 0.000 0.810 285 E CB -0.952 28.711 29.700 -0.063 0.000 0.739 285 E HN 0.511 8.850 8.360 -0.034 0.000 0.456 286 T N 3.143 117.623 114.554 -0.124 0.000 2.746 286 T HA -0.209 nan 4.350 nan 0.000 0.267 286 T C 1.847 176.427 174.700 -0.199 0.000 1.039 286 T CA 4.282 66.267 62.100 -0.191 0.000 1.142 286 T CB -0.587 68.089 68.868 -0.321 0.000 0.866 286 T HN 0.109 8.340 8.240 -0.121 -0.063 0.444 287 G N 1.584 110.250 108.800 -0.223 0.000 2.480 287 G HA2 -0.359 nan 3.960 nan 0.000 0.216 287 G HA3 -0.359 nan 3.960 nan 0.000 0.216 287 G C 0.745 175.546 174.900 -0.166 0.000 1.200 287 G CA 2.245 47.199 45.100 -0.242 0.000 0.782 287 G HN 0.432 8.922 8.290 -0.199 -0.320 0.554 288 E N 2.893 123.034 120.200 -0.098 0.000 2.110 288 E HA -0.266 nan 4.350 nan 0.000 0.193 288 E C 1.755 178.327 176.600 -0.047 0.000 0.988 288 E CA 1.856 58.215 56.400 -0.067 0.000 0.804 288 E CB -0.383 29.301 29.700 -0.026 0.000 0.745 288 E HN -0.057 8.253 8.360 -0.085 0.000 0.458 289 F N 1.092 120.937 119.950 -0.175 0.000 2.069 289 F HA -0.362 nan 4.527 nan 0.000 0.298 289 F C 1.546 177.207 175.800 -0.232 0.000 1.113 289 F CA 3.768 61.660 58.000 -0.181 0.000 1.214 289 F CB 0.088 38.970 39.000 -0.198 0.000 0.978 289 F HN 0.369 8.608 8.300 0.103 0.123 0.474 290 L N -1.671 119.404 121.223 -0.247 0.000 2.013 290 L HA -0.617 nan 4.340 nan 0.000 0.212 290 L C 2.177 178.809 176.870 -0.396 0.000 1.073 290 L CA 3.437 57.975 54.840 -0.503 0.000 0.753 290 L CB -0.735 41.016 42.059 -0.513 0.000 0.890 290 L HN 0.450 8.521 8.230 -0.076 0.113 0.432 291 C N -1.277 117.875 119.300 -0.247 0.000 2.413 291 C HA -0.525 nan 4.460 nan 0.000 0.278 291 C C 2.116 177.005 174.990 -0.168 0.000 1.224 291 C CA 4.347 63.249 59.018 -0.193 0.000 1.732 291 C CB -1.793 25.822 27.740 -0.208 0.000 2.050 291 C HN 0.094 8.192 8.230 -0.220 0.000 0.463 292 K N -0.606 119.693 120.400 -0.169 0.000 2.001 292 K HA -0.420 nan 4.320 nan 0.000 0.214 292 K C 2.759 179.240 176.600 -0.199 0.000 1.050 292 K CA 3.239 59.451 56.287 -0.125 0.000 0.934 292 K CB -0.276 32.148 32.500 -0.127 0.000 0.718 292 K HN 0.277 8.316 8.250 -0.173 0.108 0.443 293 Q N -2.447 117.097 119.800 -0.426 0.000 2.181 293 Q HA -0.203 nan 4.340 nan 0.000 0.205 293 Q C 2.319 178.186 176.000 -0.221 0.000 0.980 293 Q CA 2.302 57.840 55.803 -0.442 0.000 0.862 293 Q CB -0.095 28.132 28.738 -0.852 0.000 0.905 293 Q HN 0.435 8.232 8.270 -0.603 0.111 0.429 294 G N -3.441 105.265 108.800 -0.158 0.000 3.434 294 G HA2 0.062 nan 3.960 nan 0.000 0.258 294 G HA3 0.062 nan 3.960 nan 0.000 0.258 294 G C -1.029 173.920 174.900 0.083 0.000 1.128 294 G CA -1.364 43.757 45.100 0.034 0.000 0.792 294 G HN -0.169 7.972 8.290 -0.232 0.010 0.539 295 N N -0.260 118.479 118.700 0.066 0.000 2.689 295 N HA -0.520 nan 4.740 nan 0.000 0.263 295 N C -0.644 174.984 175.510 0.197 0.000 0.987 295 N CA 0.821 53.973 53.050 0.169 0.000 0.782 295 N CB -0.412 38.157 38.487 0.137 0.000 0.903 295 N HN -0.347 7.974 8.380 0.011 0.066 0.547 296 E N -0.408 119.834 120.200 0.070 0.000 1.852 296 E HA 0.054 nan 4.350 nan 0.000 0.276 296 E C -1.487 174.986 176.600 -0.212 0.000 1.163 296 E CA -0.843 55.537 56.400 -0.032 0.000 1.117 296 E CB -1.262 28.403 29.700 -0.059 0.000 1.124 296 E HN -0.401 7.964 8.360 0.008 0.000 0.458 297 F N 1.094 121.060 119.950 0.026 0.000 2.565 297 F HA 0.331 nan 4.527 nan 0.000 0.313 297 F C -0.188 175.630 175.800 0.030 0.000 1.091 297 F CA -1.204 56.808 58.000 0.020 0.000 0.915 297 F CB 3.654 42.663 39.000 0.015 0.000 1.208 297 F HN -0.226 8.202 8.300 0.287 0.044 0.453 298 G N 0.369 109.296 108.800 0.211 0.000 2.192 298 G HA2 -0.192 nan 3.960 nan 0.000 0.258 298 G HA3 -0.192 nan 3.960 nan 0.000 0.258 298 G C 0.230 175.218 174.900 0.147 0.000 1.185 298 G CA 0.401 45.585 45.100 0.140 0.000 0.976 298 G HN 0.831 9.132 8.290 0.201 0.110 0.446 299 A N 3.349 126.256 122.820 0.146 0.000 2.259 299 A HA -0.028 nan 4.320 nan 0.000 0.212 299 A C -0.572 177.144 177.584 0.220 0.000 1.178 299 A CA 2.284 54.420 52.037 0.165 0.000 0.734 299 A CB -0.402 18.694 19.000 0.160 0.000 0.774 299 A HN 0.272 8.502 8.150 0.135 0.000 0.481 300 T N -4.421 110.224 114.554 0.151 0.000 3.177 300 T HA 0.115 nan 4.350 nan 0.000 0.262 300 T C 0.675 175.385 174.700 0.016 0.000 0.959 300 T CA 1.916 64.059 62.100 0.072 0.000 0.996 300 T CB 0.888 69.763 68.868 0.012 0.000 1.185 300 T HN 0.057 8.282 8.240 0.120 0.087 0.486 301 T N -2.893 111.684 114.554 0.038 0.000 3.001 301 T HA 0.294 nan 4.350 nan 0.000 0.251 301 T C 1.628 176.363 174.700 0.058 0.000 1.040 301 T CA -0.117 62.000 62.100 0.028 0.000 0.985 301 T CB -0.163 68.716 68.868 0.018 0.000 1.011 301 T HN -0.272 8.003 8.240 0.059 0.000 0.509 302 G N 3.005 111.863 108.800 0.096 0.000 2.168 302 G HA2 -0.449 nan 3.960 nan 0.000 0.263 302 G HA3 -0.449 nan 3.960 nan 0.000 0.263 302 G C -0.283 174.754 174.900 0.229 0.000 0.977 302 G CA -0.022 45.156 45.100 0.129 0.000 0.659 302 G HN 0.259 8.489 8.290 0.105 0.123 0.533 303 R N -0.680 119.925 120.500 0.175 0.000 2.738 303 R HA -0.139 nan 4.340 nan 0.000 0.268 303 R C -0.591 175.814 176.300 0.175 0.000 1.062 303 R CA -0.216 55.981 56.100 0.161 0.000 1.158 303 R CB 0.904 31.243 30.300 0.065 0.000 1.046 303 R HN -0.677 7.601 8.270 0.118 0.062 0.493 304 R N 1.999 122.531 120.500 0.054 0.000 2.442 304 R HA 0.001 nan 4.340 nan 0.000 0.291 304 R C -0.358 175.787 176.300 -0.259 0.000 1.069 304 R CA 0.413 56.304 56.100 -0.348 0.000 1.022 304 R CB 0.513 30.649 30.300 -0.273 0.000 0.976 304 R HN 0.309 8.612 8.270 0.054 0.000 0.443 305 R N 5.721 126.022 120.500 -0.332 0.000 2.500 305 R HA 0.060 nan 4.340 nan 0.000 0.275 305 R C 0.158 176.352 176.300 -0.175 0.000 1.051 305 R CA -0.274 55.715 56.100 -0.186 0.000 1.088 305 R CB 1.088 31.313 30.300 -0.126 0.000 1.063 305 R HN 0.526 8.480 8.270 -0.527 0.000 0.511 306 R N 1.407 121.832 120.500 -0.125 0.000 2.490 306 R HA 0.175 nan 4.340 nan 0.000 0.278 306 R C -0.594 175.737 176.300 0.053 0.000 1.069 306 R CA -0.029 56.024 56.100 -0.079 0.000 1.080 306 R CB 1.133 31.418 30.300 -0.026 0.000 1.030 306 R HN 0.956 9.027 8.270 -0.136 0.117 0.491 307 T N -3.588 110.985 114.554 0.032 0.000 2.924 307 T HA 0.787 nan 4.350 nan 0.000 0.291 307 T C -1.336 173.363 174.700 -0.002 0.000 1.045 307 T CA -2.705 59.471 62.100 0.126 0.000 1.015 307 T CB 3.473 72.333 68.868 -0.014 0.000 1.103 307 T HN 0.173 8.335 8.240 -0.130 0.000 0.496 308 G N -0.082 108.816 108.800 0.163 0.000 2.550 308 G HA2 0.636 nan 3.960 nan 0.000 0.293 308 G HA3 0.636 nan 3.960 nan 0.000 0.293 308 G C -2.534 172.470 174.900 0.173 0.000 1.402 308 G CA 0.297 45.333 45.100 -0.108 0.000 0.784 308 G HN 0.417 8.872 8.290 0.411 0.081 0.482 309 W N -1.775 119.667 121.300 0.235 0.000 2.129 309 W HA 0.261 nan 4.660 nan 0.000 0.349 309 W C 0.101 176.864 176.519 0.408 0.000 1.279 309 W CA -0.540 56.994 57.345 0.315 0.000 1.306 309 W CB 1.130 30.784 29.460 0.323 0.000 1.140 309 W HN 0.015 8.321 8.180 0.209 0.000 0.613 310 L N 1.300 122.943 121.223 0.699 0.000 2.455 310 L HA -0.042 nan 4.340 nan 0.000 0.272 310 L C -1.677 175.449 176.870 0.427 0.000 1.174 310 L CA 0.611 55.736 54.840 0.475 0.000 0.869 310 L CB 0.453 42.733 42.059 0.369 0.000 1.130 310 L HN 0.494 9.200 8.230 0.794 0.000 0.474 311 D N 6.867 127.495 120.400 0.380 0.000 2.373 311 D HA 0.216 nan 4.640 nan 0.000 0.227 311 D C 0.205 176.612 176.300 0.179 0.000 1.091 311 D CA -0.578 53.632 54.000 0.349 0.000 0.840 311 D CB 2.224 43.338 40.800 0.523 0.000 1.060 311 D HN -0.236 8.359 8.370 0.374 0.000 0.502 312 T N 7.166 121.785 114.554 0.109 0.000 2.985 312 T HA -0.067 nan 4.350 nan 0.000 0.266 312 T C 1.758 176.449 174.700 -0.014 0.000 1.076 312 T CA 3.381 65.496 62.100 0.025 0.000 1.135 312 T CB 0.086 68.954 68.868 -0.000 0.000 0.890 312 T HN 0.167 8.482 8.240 0.127 0.000 0.480 313 V N 1.819 121.694 119.914 -0.065 0.000 2.237 313 V HA -0.379 nan 4.120 nan 0.000 0.245 313 V C 1.525 177.554 176.094 -0.109 0.000 1.046 313 V CA 4.104 66.256 62.300 -0.247 0.000 1.007 313 V CB -0.847 30.474 31.823 -0.837 0.000 0.638 313 V HN -0.263 8.022 8.190 -0.006 -0.098 0.445 314 A N -1.918 120.944 122.820 0.071 0.000 1.933 314 A HA -0.238 nan 4.320 nan 0.000 0.218 314 A C 2.014 179.620 177.584 0.036 0.000 1.175 314 A CA 3.195 55.332 52.037 0.168 0.000 0.628 314 A CB -0.638 18.571 19.000 0.349 0.000 0.814 314 A HN 0.002 8.660 8.150 0.170 -0.406 0.444 315 V N -0.830 119.093 119.914 0.015 0.000 2.469 315 V HA -0.464 nan 4.120 nan 0.000 0.251 315 V C 2.269 178.406 176.094 0.071 0.000 1.064 315 V CA 4.087 66.397 62.300 0.018 0.000 1.066 315 V CB -0.945 30.878 31.823 -0.001 0.000 0.667 315 V HN -0.291 7.922 8.190 0.039 0.000 0.461 316 R N -2.761 117.762 120.500 0.038 0.000 2.235 316 R HA -0.214 nan 4.340 nan 0.000 0.213 316 R C 2.011 178.304 176.300 -0.013 0.000 1.059 316 R CA 2.941 59.053 56.100 0.019 0.000 0.997 316 R CB -0.424 29.869 30.300 -0.012 0.000 0.884 316 R HN -0.168 8.103 8.270 0.014 0.007 0.462 317 R N 0.638 121.135 120.500 -0.005 0.000 2.073 317 R HA -0.210 nan 4.340 nan 0.000 0.229 317 R C 1.389 177.671 176.300 -0.030 0.000 1.120 317 R CA 2.373 58.468 56.100 -0.009 0.000 0.967 317 R CB -0.830 29.498 30.300 0.048 0.000 0.862 317 R HN -0.203 7.916 8.270 0.007 0.155 0.436 318 A N -0.853 121.955 122.820 -0.019 0.000 1.883 318 A HA -0.307 nan 4.320 nan 0.000 0.217 318 A C 2.088 179.640 177.584 -0.052 0.000 1.186 318 A CA 3.265 55.284 52.037 -0.031 0.000 0.624 318 A CB -0.940 18.056 19.000 -0.006 0.000 0.822 318 A HN -0.346 7.739 8.150 -0.007 0.061 0.444 319 V N -0.782 119.109 119.914 -0.038 0.000 2.220 319 V HA -0.597 nan 4.120 nan 0.000 0.250 319 V C 2.384 178.396 176.094 -0.138 0.000 1.056 319 V CA 4.366 66.594 62.300 -0.120 0.000 1.016 319 V CB -1.064 30.698 31.823 -0.102 0.000 0.639 319 V HN 0.337 8.431 8.190 0.021 0.109 0.446 320 Q N -1.463 118.270 119.800 -0.111 0.000 2.079 320 Q HA -0.274 nan 4.340 nan 0.000 0.200 320 Q C 2.668 178.583 176.000 -0.143 0.000 0.974 320 Q CA 2.575 58.305 55.803 -0.121 0.000 0.840 320 Q CB -0.323 28.354 28.738 -0.102 0.000 0.898 320 Q HN -0.628 7.590 8.270 -0.087 0.000 0.430 321 L N -1.192 119.940 121.223 -0.152 0.000 2.042 321 L HA -0.328 nan 4.340 nan 0.000 0.210 321 L C 1.381 178.149 176.870 -0.170 0.000 1.076 321 L CA 2.367 57.084 54.840 -0.206 0.000 0.749 321 L CB -0.183 41.740 42.059 -0.225 0.000 0.893 321 L HN 0.229 8.383 8.230 -0.127 0.000 0.432 322 N N -4.899 113.717 118.700 -0.141 0.000 2.373 322 N HA 0.012 nan 4.740 nan 0.000 0.181 322 N C 0.346 175.760 175.510 -0.160 0.000 1.082 322 N CA 0.460 53.430 53.050 -0.134 0.000 0.885 322 N CB 1.039 39.462 38.487 -0.106 0.000 0.977 322 N HN -0.177 8.120 8.380 -0.131 0.005 0.462 323 S N -2.969 112.627 115.700 -0.174 0.000 3.748 323 S HA -0.384 nan 4.470 nan 0.000 0.329 323 S C -0.719 173.734 174.600 -0.246 0.000 1.104 323 S CA 0.869 58.954 58.200 -0.192 0.000 0.954 323 S CB -1.380 61.714 63.200 -0.176 0.000 0.910 323 S HN -0.307 7.903 8.310 -0.167 0.000 0.494 324 L N -1.567 119.492 121.223 -0.273 0.000 2.593 324 L HA -0.304 nan 4.340 nan 0.000 0.287 324 L C 0.646 177.251 176.870 -0.442 0.000 1.243 324 L CA 1.808 56.427 54.840 -0.368 0.000 0.890 324 L CB -0.068 41.700 42.059 -0.486 0.000 1.134 324 L HN -0.679 7.398 8.230 -0.244 0.006 0.502 325 S N 1.564 116.903 115.700 -0.600 0.000 2.527 325 S HA 0.262 nan 4.470 nan 0.000 0.227 325 S C -0.419 173.807 174.600 -0.625 0.000 1.059 325 S CA 0.937 58.674 58.200 -0.771 0.000 0.919 325 S CB 2.021 64.314 63.200 -1.511 0.000 0.805 325 S HN 1.136 8.967 8.310 -0.601 0.119 0.500 326 G N -1.165 107.331 108.800 -0.506 0.000 2.623 326 G HA2 0.327 nan 3.960 nan 0.000 0.290 326 G HA3 0.327 nan 3.960 nan 0.000 0.290 326 G C -3.344 171.469 174.900 -0.146 0.000 1.437 326 G CA 0.636 45.617 45.100 -0.198 0.000 0.798 326 G HN -0.628 7.357 8.290 -0.508 0.000 0.488 327 F N -1.566 118.402 119.950 0.031 0.000 2.538 327 F HA 0.857 nan 4.527 nan 0.000 0.325 327 F C -1.746 174.078 175.800 0.039 0.000 1.066 327 F CA -2.367 55.646 58.000 0.022 0.000 0.946 327 F CB 4.369 43.370 39.000 0.002 0.000 1.199 327 F HN -0.053 8.336 8.300 0.148 0.000 0.473 328 C N 3.976 123.432 119.300 0.260 0.000 2.293 328 C HA 0.669 nan 4.460 nan 0.000 0.323 328 C C -1.562 173.488 174.990 0.099 0.000 1.240 328 C CA -2.693 56.408 59.018 0.139 0.000 1.497 328 C CB 0.144 27.938 27.740 0.090 0.000 2.171 328 C HN 0.672 9.076 8.230 0.291 0.000 0.465 329 L N 10.903 132.173 121.223 0.077 0.000 2.325 329 L HA 0.549 nan 4.340 nan 0.000 0.284 329 L C -1.831 175.078 176.870 0.065 0.000 1.089 329 L CA -0.416 54.451 54.840 0.045 0.000 0.836 329 L CB 1.075 43.165 42.059 0.052 0.000 1.184 329 L HN 1.110 9.295 8.230 0.088 0.098 0.444 330 T N 3.228 117.813 114.554 0.053 0.000 2.925 330 T HA 0.541 nan 4.350 nan 0.000 0.285 330 T C -0.057 174.706 174.700 0.106 0.000 1.021 330 T CA -1.917 60.220 62.100 0.062 0.000 1.042 330 T CB 1.866 70.750 68.868 0.028 0.000 1.037 330 T HN 1.064 9.206 8.240 0.027 0.115 0.481 331 K N -0.202 120.278 120.400 0.134 0.000 3.129 331 K HA -0.496 nan 4.320 nan 0.000 0.273 331 K C 1.306 178.085 176.600 0.298 0.000 1.123 331 K CA 1.556 57.973 56.287 0.217 0.000 0.800 331 K CB -2.263 30.383 32.500 0.244 0.000 1.238 331 K HN 0.425 8.739 8.250 0.106 0.000 0.492 332 L N -0.597 120.787 121.223 0.268 0.000 2.012 332 L HA -0.401 nan 4.340 nan 0.000 0.210 332 L C 0.627 177.726 176.870 0.382 0.000 1.073 332 L CA 3.626 58.675 54.840 0.347 0.000 0.748 332 L CB -0.169 42.053 42.059 0.272 0.000 0.891 332 L HN -0.486 7.867 8.230 0.206 0.000 0.431 333 D N -1.465 119.121 120.400 0.309 0.000 2.172 333 D HA -0.419 nan 4.640 nan 0.000 0.196 333 D C 2.264 178.724 176.300 0.265 0.000 0.999 333 D CA 2.977 57.173 54.000 0.326 0.000 0.856 333 D CB -1.177 39.835 40.800 0.354 0.000 0.934 333 D HN 0.304 8.819 8.370 0.250 0.005 0.453 334 V N -0.250 119.788 119.914 0.208 0.000 2.867 334 V HA -0.252 nan 4.120 nan 0.000 0.260 334 V C 0.970 177.054 176.094 -0.016 0.000 1.099 334 V CA 1.888 64.214 62.300 0.044 0.000 1.122 334 V CB -0.807 31.039 31.823 0.038 0.000 0.708 334 V HN -0.609 7.606 8.190 0.256 0.129 0.490 335 L N -5.592 115.681 121.223 0.085 0.000 2.418 335 L HA 0.045 nan 4.340 nan 0.000 0.218 335 L C 0.098 176.850 176.870 -0.196 0.000 1.125 335 L CA 0.184 54.986 54.840 -0.064 0.000 0.835 335 L CB -0.228 41.727 42.059 -0.174 0.000 0.953 335 L HN -0.053 8.131 8.230 0.212 0.173 0.454 336 D N -0.930 119.489 120.400 0.031 0.000 2.571 336 D HA -0.294 nan 4.640 nan 0.000 0.231 336 D C 1.143 177.441 176.300 -0.004 0.000 1.133 336 D CA 2.503 56.524 54.000 0.034 0.000 0.862 336 D CB -0.259 40.696 40.800 0.258 0.000 1.179 336 D HN -0.513 7.822 8.370 0.200 0.155 0.474 337 G N 1.597 110.338 108.800 -0.099 0.000 2.317 337 G HA2 -0.528 nan 3.960 nan 0.000 0.227 337 G HA3 -0.528 nan 3.960 nan 0.000 0.227 337 G C -0.629 174.130 174.900 -0.236 0.000 1.042 337 G CA 0.107 45.151 45.100 -0.093 0.000 0.623 337 G HN 0.689 8.890 8.290 -0.147 0.000 0.509 338 L N 1.528 122.552 121.223 -0.332 0.000 2.499 338 L HA -0.239 nan 4.340 nan 0.000 0.273 338 L C 0.543 177.247 176.870 -0.277 0.000 1.195 338 L CA 0.329 54.955 54.840 -0.357 0.000 0.882 338 L CB -0.029 41.839 42.059 -0.318 0.000 1.133 338 L HN -0.838 7.122 8.230 -0.316 0.080 0.483 339 K N 1.956 122.234 120.400 -0.203 0.000 2.057 339 K HA -0.256 nan 4.320 nan 0.000 0.206 339 K C -0.121 176.406 176.600 -0.122 0.000 1.050 339 K CA 2.474 58.679 56.287 -0.136 0.000 0.935 339 K CB 0.184 32.621 32.500 -0.105 0.000 0.715 339 K HN 0.449 8.570 8.250 -0.215 0.000 0.439 340 E N -4.555 115.573 120.200 -0.120 0.000 2.340 340 E HA 0.587 nan 4.350 nan 0.000 0.273 340 E C -1.298 175.216 176.600 -0.144 0.000 0.891 340 E CA -1.102 55.224 56.400 -0.124 0.000 0.757 340 E CB 3.966 33.600 29.700 -0.110 0.000 1.231 340 E HN -0.724 7.571 8.360 -0.107 0.000 0.439 341 V N -1.855 117.922 119.914 -0.229 0.000 2.540 341 V HA 0.547 nan 4.120 nan 0.000 0.302 341 V C -1.777 173.961 176.094 -0.594 0.000 1.035 341 V CA -2.547 59.551 62.300 -0.336 0.000 0.873 341 V CB 2.473 34.134 31.823 -0.271 0.000 0.992 341 V HN 1.191 9.155 8.190 -0.184 0.116 0.428 342 K N 4.054 123.568 120.400 -1.478 0.000 2.156 342 K HA 0.969 nan 4.320 nan 0.000 0.254 342 K C -1.277 175.055 176.600 -0.447 0.000 0.950 342 K CA -1.060 54.566 56.287 -1.102 0.000 0.849 342 K CB 1.950 33.355 32.500 -1.824 0.000 1.100 342 K HN 0.208 6.631 8.250 -3.045 0.000 0.434 343 L N -4.963 116.260 121.223 -0.000 0.000 2.439 343 L HA 0.696 nan 4.340 nan 0.000 0.270 343 L C -1.028 175.982 176.870 0.233 0.000 0.972 343 L CA -2.106 52.855 54.840 0.201 0.000 0.836 343 L CB 2.339 44.472 42.059 0.124 0.000 1.255 343 L HN 0.527 8.751 8.230 -0.010 0.000 0.404 344 C N 5.650 125.084 119.300 0.224 0.000 2.627 344 C HA 0.226 nan 4.460 nan 0.000 0.404 344 C C 0.773 175.764 174.990 0.001 0.000 1.340 344 C CA 0.262 59.245 59.018 -0.059 0.000 1.758 344 C CB -0.472 27.218 27.740 -0.083 0.000 2.501 344 C HN 0.291 8.719 8.230 0.330 0.000 0.588 345 V N 2.954 122.846 119.914 -0.036 0.000 3.565 345 V HA 0.462 nan 4.120 nan 0.000 0.260 345 V C -1.483 174.571 176.094 -0.067 0.000 1.231 345 V CA -0.424 61.855 62.300 -0.035 0.000 1.100 345 V CB 0.561 32.374 31.823 -0.017 0.000 0.807 345 V HN 1.305 9.340 8.190 -0.074 0.110 0.454 346 A N -1.199 121.590 122.820 -0.052 0.000 2.599 346 A HA 0.720 nan 4.320 nan 0.000 0.290 346 A C -3.090 174.581 177.584 0.144 0.000 1.101 346 A CA 0.099 52.106 52.037 -0.050 0.000 0.674 346 A CB 2.580 21.564 19.000 -0.026 0.000 1.277 346 A HN -0.537 7.589 8.150 -0.040 0.000 0.419 347 Y N -2.453 117.825 120.300 -0.036 0.000 2.393 347 Y HA 0.722 nan 4.550 nan 0.000 0.341 347 Y C -1.714 174.169 175.900 -0.028 0.000 0.988 347 Y CA -3.330 54.753 58.100 -0.029 0.000 1.078 347 Y CB 3.575 42.018 38.460 -0.029 0.000 1.203 347 Y HN 0.877 9.076 8.280 0.044 0.107 0.453 348 R N 4.519 125.096 120.500 0.127 0.000 2.215 348 R HA 0.527 nan 4.340 nan 0.000 0.337 348 R C -0.785 175.541 176.300 0.043 0.000 1.010 348 R CA -1.970 54.167 56.100 0.063 0.000 0.871 348 R CB 0.568 30.892 30.300 0.040 0.000 1.134 348 R HN 1.182 9.391 8.270 0.105 0.124 0.477 349 M N 7.624 127.248 119.600 0.039 0.000 2.250 349 M HA 0.117 nan 4.480 nan 0.000 0.325 349 M C -0.608 175.699 176.300 0.012 0.000 1.084 349 M CA -2.252 53.059 55.300 0.018 0.000 1.161 349 M CB -1.560 31.048 32.600 0.012 0.000 1.481 349 M HN 0.911 9.124 8.290 0.042 0.103 0.449 350 P HA -0.146 nan 4.420 nan 0.000 0.231 350 P C -1.347 175.958 177.300 0.010 0.000 1.158 350 P CA 1.906 65.012 63.100 0.010 0.000 0.763 350 P CB -0.423 31.285 31.700 0.012 0.000 0.805 351 D N -5.516 114.889 120.400 0.008 0.000 2.369 351 D HA -0.031 nan 4.640 nan 0.000 0.211 351 D C 1.233 177.538 176.300 0.008 0.000 1.077 351 D CA -1.333 52.672 54.000 0.007 0.000 0.842 351 D CB -0.807 39.997 40.800 0.006 0.000 0.947 351 D HN -0.396 7.914 8.370 0.008 0.065 0.509 352 G N 0.710 109.516 108.800 0.010 0.000 2.259 352 G HA2 -0.319 nan 3.960 nan 0.000 0.217 352 G HA3 -0.319 nan 3.960 nan 0.000 0.217 352 G C -0.627 174.280 174.900 0.012 0.000 1.001 352 G CA -0.143 44.964 45.100 0.011 0.000 0.627 352 G HN 0.209 8.336 8.290 0.011 0.170 0.501 353 R N 0.428 120.935 120.500 0.011 0.000 2.543 353 R HA -0.086 nan 4.340 nan 0.000 0.277 353 R C -1.415 174.896 176.300 0.017 0.000 1.074 353 R CA -0.249 55.857 56.100 0.010 0.000 1.076 353 R CB 0.563 30.866 30.300 0.004 0.000 0.993 353 R HN 0.120 8.714 8.270 0.009 -0.319 0.459 354 E N 3.591 123.799 120.200 0.013 0.000 2.167 354 E HA 0.398 nan 4.350 nan 0.000 0.284 354 E C -1.522 175.082 176.600 0.006 0.000 1.016 354 E CA 0.045 56.455 56.400 0.017 0.000 0.817 354 E CB 1.231 30.937 29.700 0.009 0.000 1.080 354 E HN -0.131 8.234 8.360 0.008 0.000 0.397 355 V N 5.892 125.814 119.914 0.013 0.000 3.001 355 V HA 0.517 nan 4.120 nan 0.000 0.314 355 V C -1.375 174.678 176.094 -0.069 0.000 1.099 355 V CA -2.080 60.208 62.300 -0.020 0.000 0.989 355 V CB 4.512 36.328 31.823 -0.012 0.000 1.040 355 V HN 0.823 8.928 8.190 0.045 0.112 0.434 356 T N 0.765 115.254 114.554 -0.108 0.000 3.252 356 T HA 0.287 nan 4.350 nan 0.000 0.286 356 T C -0.755 173.819 174.700 -0.209 0.000 1.013 356 T CA -0.089 61.907 62.100 -0.174 0.000 0.914 356 T CB 0.162 68.959 68.868 -0.117 0.000 1.131 356 T HN 0.079 8.269 8.240 -0.084 0.000 0.529 357 T N 3.487 117.925 114.554 -0.193 0.000 2.930 357 T HA 0.318 nan 4.350 nan 0.000 0.290 357 T C -0.689 173.894 174.700 -0.195 0.000 1.052 357 T CA -0.422 61.581 62.100 -0.162 0.000 1.017 357 T CB 2.517 71.327 68.868 -0.097 0.000 1.137 357 T HN -0.339 7.742 8.240 -0.163 0.061 0.511 358 T N -2.124 112.345 114.554 -0.141 0.000 2.945 358 T HA 0.597 nan 4.350 nan 0.000 0.286 358 T C -1.638 172.900 174.700 -0.270 0.000 1.025 358 T CA -3.581 58.416 62.100 -0.171 0.000 1.039 358 T CB 0.648 69.539 68.868 0.038 0.000 1.068 358 T HN -0.001 8.184 8.240 -0.091 0.000 0.497 359 P HA 0.153 nan 4.420 nan 0.000 0.275 359 P C -1.069 176.094 177.300 -0.229 0.000 1.266 359 P CA -1.035 61.709 63.100 -0.594 0.000 0.793 359 P CB 0.994 31.989 31.700 -1.174 0.000 1.074 360 L N -2.699 118.548 121.223 0.039 0.000 2.864 360 L HA 0.132 nan 4.340 nan 0.000 0.177 360 L C 0.497 177.665 176.870 0.497 0.000 1.341 360 L CA 0.620 55.633 54.840 0.288 0.000 0.892 360 L CB 0.090 42.252 42.059 0.172 0.000 1.290 360 L HN 0.070 8.292 8.230 -0.012 0.000 0.545 361 A N -1.775 121.259 122.820 0.357 0.000 2.507 361 A HA -0.095 nan 4.320 nan 0.000 0.235 361 A C 0.679 178.590 177.584 0.546 0.000 1.070 361 A CA 0.099 52.380 52.037 0.407 0.000 0.768 361 A CB 0.432 19.617 19.000 0.309 0.000 1.011 361 A HN -0.415 7.881 8.150 0.243 0.000 0.502 362 A N 2.224 125.319 122.820 0.459 0.000 1.883 362 A HA -0.364 nan 4.320 nan 0.000 0.217 362 A C 2.302 180.132 177.584 0.410 0.000 1.186 362 A CA 3.268 55.551 52.037 0.411 0.000 0.624 362 A CB -0.370 18.835 19.000 0.342 0.000 0.822 362 A HN 1.194 9.457 8.150 0.392 0.123 0.444 363 D N -1.831 118.753 120.400 0.308 0.000 2.133 363 D HA -0.295 nan 4.640 nan 0.000 0.195 363 D C 2.065 178.494 176.300 0.214 0.000 0.997 363 D CA 3.088 57.222 54.000 0.223 0.000 0.840 363 D CB -0.500 40.405 40.800 0.175 0.000 0.947 363 D HN 0.404 8.956 8.370 0.304 0.000 0.452 364 D N -0.675 119.862 120.400 0.229 0.000 2.392 364 D HA -0.132 nan 4.640 nan 0.000 0.228 364 D C 0.750 177.091 176.300 0.068 0.000 1.003 364 D CA 1.926 55.996 54.000 0.116 0.000 0.917 364 D CB -0.646 40.188 40.800 0.057 0.000 0.890 364 D HN -0.592 7.931 8.370 0.276 0.013 0.532 365 W N -2.274 119.072 121.300 0.076 0.000 3.177 365 W HA 0.121 nan 4.660 nan 0.000 0.309 365 W C 0.787 177.313 176.519 0.013 0.000 1.224 365 W CA 0.222 57.598 57.345 0.052 0.000 1.718 365 W CB 0.506 30.006 29.460 0.067 0.000 1.078 365 W HN 0.156 8.440 8.180 0.496 0.194 0.618 366 K N 1.935 122.464 120.400 0.215 0.000 2.101 366 K HA -0.439 nan 4.320 nan 0.000 0.232 366 K C 0.942 177.592 176.600 0.083 0.000 0.906 366 K CA 3.113 59.475 56.287 0.124 0.000 1.044 366 K CB -0.366 32.186 32.500 0.087 0.000 0.641 366 K HN -0.485 7.741 8.250 0.214 0.153 0.636 367 G N -3.294 105.537 108.800 0.052 0.000 2.990 367 G HA2 0.000 nan 3.960 nan 0.000 0.206 367 G HA3 0.000 nan 3.960 nan 0.000 0.206 367 G C -0.036 174.874 174.900 0.016 0.000 1.169 367 G CA -0.433 44.684 45.100 0.029 0.000 0.819 367 G HN 0.026 8.346 8.290 0.049 0.000 0.517 368 V N 1.161 121.084 119.914 0.014 0.000 2.694 368 V HA -0.189 nan 4.120 nan 0.000 0.306 368 V C -0.283 175.767 176.094 -0.073 0.000 1.054 368 V CA 1.537 63.809 62.300 -0.046 0.000 1.161 368 V CB 0.111 31.871 31.823 -0.105 0.000 0.916 368 V HN -0.418 7.707 8.190 0.050 0.095 0.490 369 E N 5.980 126.136 120.200 -0.073 0.000 2.238 369 E HA 0.572 nan 4.350 nan 0.000 0.267 369 E C -2.324 174.241 176.600 -0.059 0.000 0.887 369 E CA -3.390 52.983 56.400 -0.045 0.000 0.769 369 E CB 2.654 32.358 29.700 0.006 0.000 1.187 369 E HN 0.232 8.565 8.360 -0.045 0.000 0.416 370 P HA 0.555 nan 4.420 nan 0.000 0.290 370 P C -1.225 175.936 177.300 -0.233 0.000 1.276 370 P CA -0.735 62.282 63.100 -0.138 0.000 0.808 370 P CB 0.753 32.300 31.700 -0.255 0.000 0.966 371 I N 4.088 124.540 120.570 -0.197 0.000 2.330 371 I HA 0.185 nan 4.170 nan 0.000 0.289 371 I C -1.251 174.720 176.117 -0.244 0.000 1.001 371 I CA -0.801 60.417 61.300 -0.137 0.000 1.193 371 I CB 1.826 39.815 38.000 -0.018 0.000 1.345 371 I HN 0.926 9.000 8.210 -0.058 0.100 0.461 372 Y N 5.834 126.153 120.300 0.031 0.000 2.458 372 Y HA 0.309 nan 4.550 nan 0.000 0.322 372 Y C -0.297 175.580 175.900 -0.039 0.000 1.259 372 Y CA -1.280 56.806 58.100 -0.023 0.000 1.302 372 Y CB 1.616 40.014 38.460 -0.102 0.000 1.314 372 Y HN 0.162 8.528 8.280 0.144 0.000 0.509 373 E N -1.015 119.269 120.200 0.141 0.000 2.224 373 E HA 0.358 nan 4.350 nan 0.000 0.265 373 E C -1.625 174.978 176.600 0.004 0.000 0.878 373 E CA -1.095 55.338 56.400 0.055 0.000 0.759 373 E CB 2.905 32.629 29.700 0.040 0.000 1.164 373 E HN 0.398 8.864 8.360 0.176 0.000 0.414 374 T N 7.544 122.078 114.554 -0.032 0.000 2.758 374 T HA 0.580 nan 4.350 nan 0.000 0.285 374 T C -0.796 173.873 174.700 -0.051 0.000 0.981 374 T CA -0.319 61.716 62.100 -0.109 0.000 0.965 374 T CB 0.396 69.191 68.868 -0.122 0.000 0.927 374 T HN 0.224 8.458 8.240 -0.009 0.000 0.448 375 M N 5.604 125.179 119.600 -0.041 0.000 2.644 375 M HA 0.520 nan 4.480 nan 0.000 0.316 375 M C -2.486 173.820 176.300 0.010 0.000 1.200 375 M CA -2.568 52.754 55.300 0.036 0.000 0.944 375 M CB 1.567 34.260 32.600 0.155 0.000 1.691 375 M HN 0.968 9.093 8.290 -0.095 0.108 0.471 376 P HA -0.052 nan 4.420 nan 0.000 0.268 376 P C -0.675 176.653 177.300 0.048 0.000 1.204 376 P CA 0.165 63.291 63.100 0.044 0.000 0.768 376 P CB 0.082 31.832 31.700 0.083 0.000 0.842 377 G N 0.996 109.766 108.800 -0.050 0.000 2.508 377 G HA2 0.435 nan 3.960 nan 0.000 0.278 377 G HA3 0.435 nan 3.960 nan 0.000 0.278 377 G C -1.681 173.242 174.900 0.039 0.000 1.389 377 G CA -0.553 44.421 45.100 -0.211 0.000 1.050 377 G HN 0.481 8.648 8.290 -0.059 0.087 0.522 378 W N -4.375 116.916 121.300 -0.015 0.000 3.256 378 W HA 0.396 nan 4.660 nan 0.000 0.324 378 W C -0.542 175.982 176.519 0.009 0.000 1.196 378 W CA -1.496 55.850 57.345 0.001 0.000 1.206 378 W CB 1.084 30.549 29.460 0.009 0.000 1.385 378 W HN -0.502 7.259 8.180 -0.699 0.000 0.522 379 S N 1.210 117.062 115.700 0.254 0.000 2.421 379 S HA -0.163 nan 4.470 nan 0.000 0.224 379 S C 0.242 174.968 174.600 0.211 0.000 1.035 379 S CA 2.010 60.305 58.200 0.159 0.000 0.953 379 S CB -0.054 63.206 63.200 0.100 0.000 0.810 379 S HN 0.349 8.815 8.310 0.261 0.000 0.497 380 E N 1.081 121.430 120.200 0.247 0.000 2.438 380 E HA -0.101 nan 4.350 nan 0.000 0.261 380 E C -0.881 175.864 176.600 0.242 0.000 1.103 380 E CA 0.820 57.333 56.400 0.188 0.000 0.959 380 E CB 0.383 30.149 29.700 0.109 0.000 0.958 380 E HN -0.229 8.288 8.360 0.262 0.000 0.447 381 S N -0.046 115.755 115.700 0.168 0.000 2.537 381 S HA 0.063 nan 4.470 nan 0.000 0.275 381 S C -0.100 174.603 174.600 0.172 0.000 1.272 381 S CA -0.020 58.294 58.200 0.189 0.000 1.050 381 S CB 0.317 63.610 63.200 0.155 0.000 0.961 381 S HN -0.055 8.331 8.310 0.126 0.000 0.496 382 T N 8.221 122.909 114.554 0.224 0.000 3.018 382 T HA 0.182 nan 4.350 nan 0.000 0.246 382 T C -0.374 174.425 174.700 0.165 0.000 1.026 382 T CA 0.369 62.559 62.100 0.151 0.000 1.081 382 T CB 0.965 69.946 68.868 0.189 0.000 0.970 382 T HN 1.022 9.892 8.240 0.290 -0.456 0.475 383 F N 2.904 122.908 119.950 0.090 0.000 2.579 383 F HA -0.658 nan 4.527 nan 0.000 0.397 383 F C 0.582 176.413 175.800 0.050 0.000 1.027 383 F CA 2.100 60.142 58.000 0.071 0.000 1.217 383 F CB 0.430 39.470 39.000 0.066 0.000 0.986 383 F HN -0.855 7.825 8.300 0.392 -0.145 0.551 384 G N 5.921 114.300 108.800 -0.702 0.000 2.212 384 G HA2 -0.479 nan 3.960 nan 0.000 0.266 384 G HA3 -0.479 nan 3.960 nan 0.000 0.266 384 G C -0.877 173.919 174.900 -0.174 0.000 0.978 384 G CA 0.300 45.118 45.100 -0.469 0.000 0.632 384 G HN 0.874 8.468 8.290 -0.937 0.135 0.537 385 V N 1.015 120.872 119.914 -0.095 0.000 2.740 385 V HA -0.192 nan 4.120 nan 0.000 0.303 385 V C -0.004 176.055 176.094 -0.058 0.000 1.054 385 V CA 1.299 63.570 62.300 -0.048 0.000 1.106 385 V CB 0.432 32.239 31.823 -0.026 0.000 0.957 385 V HN -0.174 7.897 8.190 -0.079 0.072 0.486 386 K N 1.988 122.364 120.400 -0.041 0.000 2.706 386 K HA 0.196 nan 4.320 nan 0.000 0.203 386 K C -1.913 174.673 176.600 -0.022 0.000 1.102 386 K CA -0.317 55.949 56.287 -0.034 0.000 1.058 386 K CB 0.683 33.164 32.500 -0.032 0.000 0.779 386 K HN 0.620 8.851 8.250 -0.031 0.000 0.483 387 D N -3.626 116.761 120.400 -0.023 0.000 2.764 387 D HA 0.124 nan 4.640 nan 0.000 0.227 387 D C 0.257 176.542 176.300 -0.025 0.000 1.347 387 D CA -0.893 53.096 54.000 -0.018 0.000 0.953 387 D CB 1.932 42.724 40.800 -0.013 0.000 1.476 387 D HN -0.736 7.562 8.370 -0.028 0.055 0.585 388 R N 3.413 123.899 120.500 -0.023 0.000 2.140 388 R HA -0.425 nan 4.340 nan 0.000 0.250 388 R C 1.913 178.190 176.300 -0.039 0.000 1.150 388 R CA 3.769 59.849 56.100 -0.033 0.000 0.966 388 R CB -0.407 29.880 30.300 -0.023 0.000 0.869 388 R HN 0.600 8.860 8.270 -0.016 0.000 0.445 389 S N -0.701 114.983 115.700 -0.027 0.000 2.407 389 S HA -0.245 nan 4.470 nan 0.000 0.235 389 S C 1.447 176.028 174.600 -0.031 0.000 1.036 389 S CA 2.362 60.547 58.200 -0.024 0.000 1.013 389 S CB -0.556 62.635 63.200 -0.014 0.000 0.820 389 S HN 0.138 8.431 8.310 -0.020 0.004 0.476 390 G N -0.564 108.217 108.800 -0.033 0.000 2.744 390 G HA2 -0.120 nan 3.960 nan 0.000 0.211 390 G HA3 -0.120 nan 3.960 nan 0.000 0.211 390 G C -0.776 174.085 174.900 -0.064 0.000 1.143 390 G CA 0.060 45.139 45.100 -0.034 0.000 0.788 390 G HN 0.079 8.317 8.290 -0.031 0.033 0.534 391 L N 2.254 123.421 121.223 -0.095 0.000 2.305 391 L HA 0.235 nan 4.340 nan 0.000 0.281 391 L C -1.549 175.207 176.870 -0.190 0.000 1.085 391 L CA -2.370 52.363 54.840 -0.178 0.000 0.813 391 L CB 0.264 42.211 42.059 -0.187 0.000 1.157 391 L HN 0.200 8.176 8.230 -0.078 0.208 0.436 392 P HA 0.087 nan 4.420 nan 0.000 0.272 392 P C 0.200 177.400 177.300 -0.167 0.000 1.223 392 P CA -0.780 62.216 63.100 -0.173 0.000 0.784 392 P CB 1.012 32.630 31.700 -0.137 0.000 0.923 393 Q N 3.359 123.121 119.800 -0.063 0.000 2.152 393 Q HA -0.464 nan 4.340 nan 0.000 0.206 393 Q C 1.981 177.983 176.000 0.004 0.000 0.985 393 Q CA 3.627 59.415 55.803 -0.026 0.000 0.863 393 Q CB -0.636 28.107 28.738 0.009 0.000 0.904 393 Q HN 0.716 8.965 8.270 -0.035 0.000 0.422 394 A N -1.880 120.972 122.820 0.053 0.000 1.865 394 A HA -0.283 nan 4.320 nan 0.000 0.217 394 A C 1.803 179.479 177.584 0.154 0.000 1.191 394 A CA 3.094 55.248 52.037 0.195 0.000 0.623 394 A CB -1.323 17.926 19.000 0.415 0.000 0.826 394 A HN 0.449 8.609 8.150 0.051 0.020 0.444 395 A N -1.162 121.470 122.820 -0.314 0.000 1.883 395 A HA -0.307 nan 4.320 nan 0.000 0.217 395 A C 2.345 179.840 177.584 -0.149 0.000 1.186 395 A CA 2.906 54.507 52.037 -0.727 0.000 0.624 395 A CB -1.031 17.061 19.000 -1.512 0.000 0.822 395 A HN -0.459 7.421 8.150 -0.451 0.000 0.444 396 L N -2.721 118.422 121.223 -0.133 0.000 2.042 396 L HA -0.593 nan 4.340 nan 0.000 0.210 396 L C 2.206 179.100 176.870 0.040 0.000 1.076 396 L CA 3.352 58.171 54.840 -0.036 0.000 0.749 396 L CB -0.756 41.278 42.059 -0.041 0.000 0.893 396 L HN -0.153 7.955 8.230 -0.203 0.000 0.432 397 N N -0.081 118.663 118.700 0.073 0.000 2.043 397 N HA -0.430 nan 4.740 nan 0.000 0.193 397 N C 2.001 177.609 175.510 0.162 0.000 1.037 397 N CA 3.408 56.523 53.050 0.107 0.000 0.851 397 N CB -0.062 38.499 38.487 0.123 0.000 1.027 397 N HN 0.285 8.515 8.380 0.052 0.182 0.422 398 Y N 1.401 121.764 120.300 0.106 0.000 2.207 398 Y HA -0.411 nan 4.550 nan 0.000 0.287 398 Y C 1.705 177.664 175.900 0.097 0.000 1.156 398 Y CA 3.756 61.946 58.100 0.149 0.000 1.182 398 Y CB 0.031 38.679 38.460 0.314 0.000 0.979 398 Y HN 0.421 8.805 8.280 0.363 0.114 0.521 399 I N -1.302 119.347 120.570 0.132 0.000 2.233 399 I HA -0.652 nan 4.170 nan 0.000 0.243 399 I C 1.597 177.705 176.117 -0.016 0.000 1.093 399 I CA 4.036 65.349 61.300 0.023 0.000 1.380 399 I CB -0.135 37.898 38.000 0.056 0.000 1.067 399 I HN 0.321 8.454 8.210 0.202 0.197 0.413 400 K N 0.255 120.663 120.400 0.013 0.000 2.032 400 K HA -0.447 nan 4.320 nan 0.000 0.209 400 K C 2.113 178.706 176.600 -0.011 0.000 1.048 400 K CA 3.911 60.203 56.287 0.009 0.000 0.927 400 K CB -0.117 32.395 32.500 0.020 0.000 0.712 400 K HN 0.172 8.337 8.250 0.036 0.107 0.441 401 R N -0.962 119.524 120.500 -0.022 0.000 2.094 401 R HA -0.292 nan 4.340 nan 0.000 0.239 401 R C 2.311 178.562 176.300 -0.083 0.000 1.137 401 R CA 2.656 58.731 56.100 -0.042 0.000 0.943 401 R CB -0.803 29.478 30.300 -0.032 0.000 0.850 401 R HN 0.226 8.388 8.270 0.001 0.109 0.433 402 I N -0.865 119.604 120.570 -0.168 0.000 2.151 402 I HA -0.624 nan 4.170 nan 0.000 0.243 402 I C 2.090 178.178 176.117 -0.049 0.000 1.080 402 I CA 4.200 65.395 61.300 -0.175 0.000 1.339 402 I CB -0.543 37.285 38.000 -0.286 0.000 1.039 402 I HN -0.262 7.809 8.210 -0.232 0.000 0.409 403 E N -0.295 119.898 120.200 -0.011 0.000 2.077 403 E HA -0.436 nan 4.350 nan 0.000 0.193 403 E C 2.418 179.039 176.600 0.034 0.000 0.989 403 E CA 3.745 60.177 56.400 0.053 0.000 0.800 403 E CB -0.502 29.229 29.700 0.051 0.000 0.746 403 E HN -0.018 8.259 8.360 -0.035 0.062 0.452 404 E N 0.310 120.516 120.200 0.009 0.000 2.038 404 E HA -0.313 nan 4.350 nan 0.000 0.195 404 E C 2.569 179.171 176.600 0.003 0.000 1.000 404 E CA 2.824 59.227 56.400 0.004 0.000 0.803 404 E CB -0.121 29.578 29.700 -0.002 0.000 0.750 404 E HN 0.183 8.370 8.360 -0.001 0.173 0.448 405 L N -4.093 117.127 121.223 -0.005 0.000 2.447 405 L HA -0.214 nan 4.340 nan 0.000 0.225 405 L C 0.731 177.609 176.870 0.013 0.000 1.148 405 L CA 2.237 57.073 54.840 -0.006 0.000 0.808 405 L CB -0.018 42.028 42.059 -0.023 0.000 0.928 405 L HN 0.475 8.586 8.230 -0.016 0.110 0.448 406 T N -3.855 110.727 114.554 0.047 0.000 2.989 406 T HA 0.231 nan 4.350 nan 0.000 0.250 406 T C 1.072 175.795 174.700 0.039 0.000 0.981 406 T CA 0.601 62.752 62.100 0.086 0.000 0.980 406 T CB 1.504 70.532 68.868 0.268 0.000 1.133 406 T HN -0.447 7.629 8.240 0.048 0.192 0.489 407 G N 2.441 111.258 108.800 0.028 0.000 2.160 407 G HA2 -0.400 nan 3.960 nan 0.000 0.244 407 G HA3 -0.400 nan 3.960 nan 0.000 0.244 407 G C -1.276 173.597 174.900 -0.044 0.000 1.022 407 G CA 0.710 45.803 45.100 -0.012 0.000 0.741 407 G HN 0.286 8.491 8.290 0.042 0.110 0.508 408 V N 0.142 120.045 119.914 -0.019 0.000 2.623 408 V HA 0.285 nan 4.120 nan 0.000 0.304 408 V C -2.449 173.656 176.094 0.018 0.000 1.054 408 V CA -2.924 59.305 62.300 -0.117 0.000 0.882 408 V CB 2.986 34.548 31.823 -0.435 0.000 1.002 408 V HN -0.569 7.642 8.190 0.066 0.020 0.424 409 P HA 0.115 nan 4.420 nan 0.000 0.271 409 P C -1.114 176.270 177.300 0.139 0.000 1.216 409 P CA -0.788 62.351 63.100 0.064 0.000 0.771 409 P CB 1.068 32.787 31.700 0.031 0.000 0.864 410 I N 3.376 124.045 120.570 0.165 0.000 2.260 410 I HA -0.210 nan 4.170 nan 0.000 0.297 410 I C -0.303 175.888 176.117 0.124 0.000 1.143 410 I CA 0.434 61.847 61.300 0.189 0.000 1.271 410 I CB -0.818 37.261 38.000 0.131 0.000 1.461 410 I HN 0.855 9.674 8.210 0.125 -0.533 0.530 411 D N 6.966 127.445 120.400 0.131 0.000 2.224 411 D HA -0.113 nan 4.640 nan 0.000 0.205 411 D C -0.560 175.777 176.300 0.063 0.000 0.965 411 D CA 3.239 57.295 54.000 0.093 0.000 0.852 411 D CB 0.609 41.480 40.800 0.117 0.000 0.947 411 D HN -0.035 8.436 8.370 0.167 0.000 0.494 412 I N -3.706 116.908 120.570 0.074 0.000 2.730 412 I HA 0.635 nan 4.170 nan 0.000 0.298 412 I C -2.107 174.043 176.117 0.054 0.000 1.089 412 I CA -0.805 60.523 61.300 0.048 0.000 1.041 412 I CB 4.388 42.408 38.000 0.034 0.000 1.235 412 I HN -0.732 7.542 8.210 0.106 0.000 0.423 413 I N 2.950 123.542 120.570 0.037 0.000 2.466 413 I HA 0.555 nan 4.170 nan 0.000 0.289 413 I C -1.944 174.188 176.117 0.024 0.000 1.026 413 I CA -1.338 59.985 61.300 0.039 0.000 1.078 413 I CB 2.610 40.629 38.000 0.031 0.000 1.249 413 I HN 0.753 8.978 8.210 0.025 0.000 0.429 414 S N 4.957 120.677 115.700 0.033 0.000 2.437 414 S HA 0.664 nan 4.470 nan 0.000 0.305 414 S C -0.127 174.484 174.600 0.018 0.000 1.109 414 S CA -2.197 56.012 58.200 0.015 0.000 1.099 414 S CB 1.732 64.945 63.200 0.022 0.000 1.004 414 S HN 0.768 9.109 8.310 0.052 0.000 0.475 415 T N 2.106 116.635 114.554 -0.042 0.000 3.266 415 T HA 0.536 nan 4.350 nan 0.000 0.278 415 T C -1.103 173.448 174.700 -0.249 0.000 1.010 415 T CA -2.215 59.840 62.100 -0.075 0.000 0.909 415 T CB 0.182 68.990 68.868 -0.100 0.000 1.122 415 T HN 0.876 8.956 8.240 -0.076 0.114 0.536 416 G N 0.356 109.059 108.800 -0.162 0.000 2.340 416 G HA2 0.192 nan 3.960 nan 0.000 0.298 416 G HA3 0.192 nan 3.960 nan 0.000 0.298 416 G C -3.051 171.838 174.900 -0.020 0.000 1.498 416 G CA 0.647 45.635 45.100 -0.187 0.000 0.847 416 G HN -0.821 7.427 8.290 -0.069 0.000 0.594 417 P HA -0.080 nan 4.420 nan 0.000 0.223 417 P C -1.014 176.308 177.300 0.038 0.000 1.151 417 P CA 0.435 63.580 63.100 0.075 0.000 0.787 417 P CB 0.570 32.338 31.700 0.113 0.000 0.788 418 D N -1.939 118.471 120.400 0.017 0.000 2.425 418 D HA -0.058 nan 4.640 nan 0.000 0.247 418 D C 1.345 177.636 176.300 -0.016 0.000 1.147 418 D CA 0.591 54.593 54.000 0.005 0.000 0.879 418 D CB 1.522 42.321 40.800 -0.002 0.000 1.179 418 D HN -0.763 7.843 8.370 0.010 -0.231 0.456 419 R N 7.195 127.695 120.500 -0.000 0.000 2.204 419 R HA -0.448 nan 4.340 nan 0.000 0.253 419 R C 1.522 177.813 176.300 -0.014 0.000 1.172 419 R CA 3.368 59.468 56.100 -0.001 0.000 0.994 419 R CB 0.115 30.421 30.300 0.009 0.000 0.874 419 R HN 0.682 8.958 8.270 0.010 0.000 0.462 420 T N -6.240 108.299 114.554 -0.025 0.000 3.057 420 T HA 0.091 nan 4.350 nan 0.000 0.254 420 T C 0.899 175.561 174.700 -0.063 0.000 1.094 420 T CA 1.084 63.164 62.100 -0.033 0.000 1.088 420 T CB -0.206 68.648 68.868 -0.023 0.000 0.934 420 T HN -0.453 7.999 8.240 -0.022 -0.226 0.497 421 E N 2.006 122.142 120.200 -0.106 0.000 1.972 421 E HA 0.109 nan 4.350 nan 0.000 0.292 421 E C -1.405 175.122 176.600 -0.123 0.000 1.193 421 E CA -0.756 55.538 56.400 -0.177 0.000 1.228 421 E CB -2.117 27.361 29.700 -0.369 0.000 1.167 421 E HN -0.139 8.051 8.360 -0.094 0.113 0.479 422 T N 1.522 116.032 114.554 -0.073 0.000 2.840 422 T HA 0.618 nan 4.350 nan 0.000 0.317 422 T C -1.522 173.162 174.700 -0.027 0.000 1.401 422 T CA -0.260 61.815 62.100 -0.041 0.000 1.028 422 T CB 3.342 72.197 68.868 -0.022 0.000 1.317 422 T HN 0.100 8.252 8.240 -0.066 0.048 0.495 423 M N 1.207 120.799 119.600 -0.014 0.000 2.204 423 M HA 0.579 nan 4.480 nan 0.000 0.293 423 M C -1.961 174.340 176.300 0.002 0.000 0.994 423 M CA -0.724 54.572 55.300 -0.008 0.000 0.925 423 M CB 3.260 35.855 32.600 -0.009 0.000 1.577 423 M HN 0.953 9.237 8.290 -0.009 0.000 0.439 424 I N 4.000 124.571 120.570 0.003 0.000 2.331 424 I HA 0.321 nan 4.170 nan 0.000 0.292 424 I C -0.437 175.684 176.117 0.006 0.000 0.998 424 I CA -0.128 61.174 61.300 0.004 0.000 1.267 424 I CB 1.105 39.106 38.000 0.001 0.000 1.386 424 I HN 0.434 8.645 8.210 0.001 0.000 0.476 425 L N 7.242 128.472 121.223 0.011 0.000 2.362 425 L HA 0.194 nan 4.340 nan 0.000 0.204 425 L C -0.180 176.698 176.870 0.013 0.000 1.060 425 L CA 0.934 55.783 54.840 0.015 0.000 0.827 425 L CB 0.860 42.933 42.059 0.023 0.000 1.027 425 L HN 0.940 9.078 8.230 0.015 0.102 0.474 426 R N -0.983 119.522 120.500 0.009 0.000 2.538 426 R HA 0.187 nan 4.340 nan 0.000 0.292 426 R C -1.980 174.288 176.300 -0.053 0.000 1.008 426 R CA -0.817 55.282 56.100 -0.001 0.000 0.896 426 R CB 2.884 33.202 30.300 0.030 0.000 1.187 426 R HN -0.626 7.651 8.270 0.010 0.000 0.440 427 D N 7.601 127.960 120.400 -0.068 0.000 2.347 427 D HA 0.361 nan 4.640 nan 0.000 0.235 427 D C -0.660 175.481 176.300 -0.265 0.000 1.149 427 D CA -3.123 50.804 54.000 -0.122 0.000 0.850 427 D CB 1.647 42.435 40.800 -0.020 0.000 1.061 427 D HN 0.253 8.603 8.370 -0.034 0.000 0.487 428 P HA -0.226 nan 4.420 nan 0.000 0.218 428 P C -0.152 176.742 177.300 -0.676 0.000 1.146 428 P CA 2.131 64.589 63.100 -1.070 0.000 0.820 428 P CB 0.126 30.953 31.700 -1.455 0.000 0.778 429 F N -3.785 115.928 119.950 -0.396 0.000 2.604 429 F HA -0.151 nan 4.527 nan 0.000 0.298 429 F C 1.131 176.768 175.800 -0.273 0.000 1.131 429 F CA 1.924 59.631 58.000 -0.489 0.000 1.457 429 F CB -0.128 38.475 39.000 -0.661 0.000 1.095 429 F HN 0.153 8.505 8.300 -0.352 -0.263 0.574 430 D N -1.513 118.882 120.400 -0.007 0.000 2.323 430 D HA -0.035 nan 4.640 nan 0.000 0.218 430 D C 0.429 176.752 176.300 0.038 0.000 0.973 430 D CA 0.880 54.910 54.000 0.050 0.000 0.890 430 D CB 0.182 41.010 40.800 0.047 0.000 1.011 430 D HN 0.158 8.316 8.370 -0.078 0.165 0.499 431 A N 0.000 122.825 122.820 0.009 0.000 2.254 431 A HA 0.000 nan 4.320 nan 0.000 0.244 431 A CA 0.000 52.080 52.037 0.072 0.000 0.836 431 A CB 0.000 19.107 19.000 0.177 0.000 0.831 431 A HN 0.000 8.116 8.150 -0.056 0.000 0.486