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 2ibz_1_B DATA FIRST_RESID 17 DATA SEQUENCE LTVSARDAPT KISTLAVKVH GGSRYATKDG VAHLLNRFNF QNTNTRSALK DATA SEQUENCE LVRESELLGG TFKSTLDREY ITLKATFLKD DLPYYVNALA DVLYKTAFKP DATA SEQUENCE HELTESVLPA ARYDYAVAEQ CPVKSAEDQL YAITFRKGLG NPLLYDGVER DATA SEQUENCE VSLQDIKDFA DKVYTKENLE VSGENVVEAD LKRFVDESLL STLPAGKSLV DATA SEQUENCE SKSEPKFFLG EENRVRFIGD SVAAIGIPVN KASLAQYEVL ANYLTSALSE DATA SEQUENCE LSGLISSAKL DKFTDGGLFT LFVRDQDSAV VSSNIKKIVA DLKKGKDLSP DATA SEQUENCE AINYTKLKNA VQNESVSSPI ELNFDAVKDF KLGKFNYVAV GDVSNLPYLD DATA SEQUENCE EL 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.900 176.870 0.050 0.000 1.165 17 L CA 0.000 54.868 54.840 0.047 0.000 0.813 17 L CB 0.000 42.079 42.059 0.033 0.000 0.961 18 T N 1.022 115.615 114.554 0.064 0.000 2.761 18 T HA 0.450 4.800 4.350 -0.000 0.000 0.296 18 T C 0.441 175.181 174.700 0.066 0.000 0.934 18 T CA -0.169 61.969 62.100 0.064 0.000 1.091 18 T CB 1.841 70.755 68.868 0.077 0.000 0.896 18 T HN 0.176 nan 8.240 nan 0.000 0.515 19 V N 4.232 124.180 119.914 0.056 0.000 2.257 19 V HA 0.268 4.388 4.120 -0.000 0.000 0.269 19 V C 0.385 176.511 176.094 0.055 0.000 1.040 19 V CA -0.634 61.701 62.300 0.059 0.000 0.813 19 V CB 0.443 32.298 31.823 0.053 0.000 1.065 19 V HN 0.940 nan 8.190 nan 0.000 0.457 20 S N 2.745 118.480 115.700 0.059 0.000 2.669 20 S HA 0.942 5.412 4.470 -0.000 0.000 0.270 20 S C 0.283 174.913 174.600 0.050 0.000 1.225 20 S CA 0.063 58.293 58.200 0.050 0.000 0.991 20 S CB 1.960 65.190 63.200 0.050 0.000 0.987 20 S HN 1.129 nan 8.310 nan 0.000 0.552 21 A N 0.685 123.529 122.820 0.040 0.000 2.483 21 A HA 0.844 5.163 4.320 -0.000 0.000 0.294 21 A C -1.184 176.414 177.584 0.023 0.000 1.077 21 A CA -0.863 51.196 52.037 0.037 0.000 0.633 21 A CB 1.109 20.137 19.000 0.047 0.000 1.318 21 A HN 0.750 nan 8.150 nan 0.000 0.455 22 R N 0.836 121.346 120.500 0.016 0.000 3.146 22 R HA 0.253 4.593 4.340 -0.000 0.000 0.235 22 R C -1.524 174.775 176.300 -0.001 0.000 1.624 22 R CA -0.243 55.861 56.100 0.006 0.000 0.995 22 R CB 0.267 30.567 30.300 -0.000 0.000 1.490 22 R HN 0.948 nan 8.270 nan 0.000 0.434 23 D N 1.815 122.218 120.400 0.004 0.000 2.346 23 D HA 0.530 5.170 4.640 -0.000 0.000 0.236 23 D C -0.525 175.769 176.300 -0.010 0.000 1.259 23 D CA 1.293 55.293 54.000 0.000 0.000 0.898 23 D CB 1.146 41.952 40.800 0.009 0.000 1.178 23 D HN 0.659 nan 8.370 nan 0.000 0.457 24 A N 1.029 123.841 122.820 -0.014 0.000 2.567 24 A HA 0.429 4.749 4.320 -0.000 0.000 0.291 24 A C -2.497 175.075 177.584 -0.020 0.000 1.048 24 A CA -0.830 51.195 52.037 -0.020 0.000 0.661 24 A CB 1.153 20.135 19.000 -0.030 0.000 1.288 24 A HN 0.494 nan 8.150 nan 0.000 0.424 25 P HA 0.105 nan 4.420 nan 0.000 0.255 25 P C 0.531 177.815 177.300 -0.026 0.000 1.357 25 P CA 0.730 63.819 63.100 -0.018 0.000 0.839 25 P CB -0.411 31.280 31.700 -0.014 0.000 1.356 26 T N -2.642 111.889 114.554 -0.038 0.000 2.899 26 T HA 0.281 4.631 4.350 -0.000 0.000 0.284 26 T C 1.047 175.710 174.700 -0.061 0.000 1.004 26 T CA -0.556 61.514 62.100 -0.050 0.000 1.043 26 T CB 1.663 70.494 68.868 -0.062 0.000 1.013 26 T HN -0.110 nan 8.240 nan 0.000 0.518 27 K N 0.409 120.770 120.400 -0.065 0.000 2.418 27 K HA 0.187 4.507 4.320 -0.000 0.000 0.195 27 K C 0.111 176.641 176.600 -0.117 0.000 1.035 27 K CA 0.255 56.500 56.287 -0.070 0.000 1.003 27 K CB 0.135 32.605 32.500 -0.050 0.000 0.793 27 K HN 0.512 nan 8.250 nan 0.000 0.494 28 I N 1.348 121.826 120.570 -0.155 0.000 2.362 28 I HA 0.168 4.338 4.170 -0.000 0.000 0.289 28 I C -0.023 175.889 176.117 -0.342 0.000 0.994 28 I CA -0.228 60.923 61.300 -0.247 0.000 1.158 28 I CB 1.452 39.330 38.000 -0.202 0.000 1.315 28 I HN -0.144 nan 8.210 nan 0.000 0.451 29 S N 3.846 119.184 115.700 -0.604 0.000 2.722 29 S HA 0.646 5.116 4.470 -0.000 0.000 0.292 29 S C 0.258 174.332 174.600 -0.877 0.000 1.135 29 S CA -0.550 57.233 58.200 -0.695 0.000 1.003 29 S CB 2.043 64.782 63.200 -0.767 0.000 1.067 29 S HN 0.681 nan 8.310 nan 0.000 0.546 30 T N 2.109 116.364 114.554 -0.499 0.000 3.262 30 T HA 0.262 4.612 4.350 -0.000 0.000 0.336 30 T C -0.846 173.843 174.700 -0.017 0.000 0.911 30 T CA -0.583 61.355 62.100 -0.271 0.000 1.154 30 T CB -0.012 68.745 68.868 -0.185 0.000 1.007 30 T HN 0.392 nan 8.240 nan 0.000 0.488 31 L N 3.864 125.210 121.223 0.204 0.000 2.439 31 L HA 0.808 5.148 4.340 -0.000 0.000 0.269 31 L C 0.152 177.121 176.870 0.165 0.000 1.179 31 L CA 0.381 55.362 54.840 0.235 0.000 0.828 31 L CB 0.775 43.037 42.059 0.339 0.000 1.106 31 L HN 0.933 nan 8.230 nan 0.000 0.467 32 A N 4.177 127.080 122.820 0.139 0.000 2.513 32 A HA 0.580 4.900 4.320 -0.000 0.000 0.296 32 A C -1.396 176.261 177.584 0.122 0.000 1.052 32 A CA -0.477 51.636 52.037 0.127 0.000 0.714 32 A CB 1.495 20.544 19.000 0.083 0.000 1.279 32 A HN 0.326 nan 8.150 nan 0.000 0.397 33 V N 3.723 123.718 119.914 0.135 0.000 2.266 33 V HA 0.236 4.356 4.120 -0.000 0.000 0.271 33 V C 0.113 176.290 176.094 0.139 0.000 1.032 33 V CA -0.481 61.892 62.300 0.120 0.000 0.806 33 V CB 0.801 32.681 31.823 0.094 0.000 1.052 33 V HN 0.843 nan 8.190 nan 0.000 0.449 34 K N 2.845 123.331 120.400 0.144 0.000 2.326 34 K HA 0.607 4.927 4.320 -0.000 0.000 0.275 34 K C -0.723 176.009 176.600 0.221 0.000 1.018 34 K CA -0.195 56.216 56.287 0.207 0.000 0.962 34 K CB 1.524 34.143 32.500 0.197 0.000 0.953 34 K HN 0.397 nan 8.250 nan 0.000 0.475 35 V N 3.177 123.235 119.914 0.240 0.000 2.711 35 V HA 0.044 4.164 4.120 -0.000 0.000 0.304 35 V C -0.509 175.587 176.094 0.004 0.000 1.097 35 V CA -0.909 61.481 62.300 0.150 0.000 0.906 35 V CB 1.587 33.569 31.823 0.265 0.000 1.015 35 V HN 0.798 nan 8.190 nan 0.000 0.427 36 H N 4.146 123.177 119.070 -0.065 0.000 3.392 36 H HA 0.237 4.793 4.556 -0.000 0.000 0.253 36 H C 0.927 176.163 175.328 -0.153 0.000 1.682 36 H CA 0.744 56.669 56.048 -0.204 0.000 1.535 36 H CB 0.461 29.972 29.762 -0.417 0.000 1.823 36 H HN 0.859 nan 8.280 nan 0.000 0.576 37 G N 1.838 110.776 108.800 0.230 0.000 4.530 37 G HA2 0.160 4.120 3.960 -0.000 0.000 0.284 37 G HA3 0.160 4.120 3.960 -0.000 0.000 0.284 37 G C 0.870 176.079 174.900 0.515 0.000 1.008 37 G CA 0.015 45.332 45.100 0.360 0.000 0.770 37 G HN 0.598 nan 8.290 nan 0.000 0.424 38 G N 0.597 109.654 108.800 0.428 0.000 2.583 38 G HA2 0.337 4.297 3.960 -0.000 0.000 0.275 38 G HA3 0.337 4.297 3.960 -0.000 0.000 0.275 38 G C 1.529 176.511 174.900 0.137 0.000 1.342 38 G CA 0.700 45.938 45.100 0.231 0.000 1.030 38 G HN 0.662 nan 8.290 nan 0.000 0.520 39 S N -1.001 114.708 115.700 0.015 0.000 2.440 39 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 39 S C 2.084 176.623 174.600 -0.102 0.000 1.010 39 S CA 1.110 59.283 58.200 -0.046 0.000 0.972 39 S CB -0.239 62.919 63.200 -0.069 0.000 0.774 39 S HN 0.534 nan 8.310 nan 0.000 0.501 40 R N 0.414 120.768 120.500 -0.244 0.000 2.127 40 R HA -0.072 4.268 4.340 -0.000 0.000 0.238 40 R C 1.123 177.192 176.300 -0.384 0.000 1.134 40 R CA 1.586 57.427 56.100 -0.433 0.000 0.975 40 R CB -0.338 29.503 30.300 -0.766 0.000 0.865 40 R HN 0.722 nan 8.270 nan 0.000 0.447 41 Y N -0.804 119.537 120.300 0.069 0.000 2.458 41 Y HA 0.342 4.892 4.550 -0.000 0.000 0.254 41 Y C 0.924 176.964 175.900 0.234 0.000 1.120 41 Y CA -0.193 57.982 58.100 0.126 0.000 1.282 41 Y CB 0.149 38.688 38.460 0.133 0.000 1.109 41 Y HN -0.059 nan 8.280 nan 0.000 0.526 42 A N 1.042 124.016 122.820 0.258 0.000 2.573 42 A HA -0.054 4.266 4.320 -0.000 0.000 0.250 42 A C 1.701 179.320 177.584 0.058 0.000 1.049 42 A CA 1.115 53.166 52.037 0.022 0.000 0.767 42 A CB -0.053 18.838 19.000 -0.181 0.000 0.965 42 A HN 0.439 nan 8.150 nan 0.000 0.514 43 T N 2.149 116.765 114.554 0.102 0.000 2.821 43 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 43 T C 0.852 175.559 174.700 0.011 0.000 1.046 43 T CA 1.705 63.862 62.100 0.096 0.000 1.139 43 T CB -0.281 68.685 68.868 0.163 0.000 0.871 43 T HN 0.684 nan 8.240 nan 0.000 0.454 44 K N 1.208 121.575 120.400 -0.054 0.000 2.385 44 K HA 0.328 4.648 4.320 -0.000 0.000 0.248 44 K C -1.416 175.151 176.600 -0.054 0.000 0.955 44 K CA -0.922 55.342 56.287 -0.040 0.000 0.816 44 K CB 1.497 33.980 32.500 -0.029 0.000 1.250 44 K HN 0.044 nan 8.250 nan 0.000 0.434 45 D N 0.959 121.351 120.400 -0.013 0.000 2.502 45 D HA 0.037 4.677 4.640 -0.000 0.000 0.249 45 D C 1.178 177.521 176.300 0.071 0.000 1.188 45 D CA 1.537 55.536 54.000 -0.002 0.000 0.890 45 D CB 0.536 41.324 40.800 -0.020 0.000 1.140 45 D HN 0.835 nan 8.370 nan 0.000 0.505 46 G N 1.628 110.454 108.800 0.043 0.000 2.184 46 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.264 46 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.264 46 G C 1.331 176.253 174.900 0.036 0.000 0.975 46 G CA 0.304 45.490 45.100 0.143 0.000 0.642 46 G HN 0.466 nan 8.290 nan 0.000 0.536 47 V N 0.623 120.453 119.914 -0.141 0.000 2.469 47 V HA -0.058 4.062 4.120 -0.000 0.000 0.251 47 V C 3.176 179.029 176.094 -0.402 0.000 1.064 47 V CA 2.939 65.053 62.300 -0.310 0.000 1.066 47 V CB -0.929 30.627 31.823 -0.446 0.000 0.667 47 V HN 0.954 nan 8.190 nan 0.000 0.461 48 A N -0.530 122.025 122.820 -0.442 0.000 1.930 48 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 48 A C 2.159 179.775 177.584 0.053 0.000 1.175 48 A CA 1.936 53.825 52.037 -0.246 0.000 0.627 48 A CB -0.738 18.196 19.000 -0.111 0.000 0.815 48 A HN 0.673 nan 8.150 nan 0.000 0.443 49 H N 0.499 119.544 119.070 -0.042 0.000 2.290 49 H HA -0.051 4.505 4.556 -0.000 0.000 0.298 49 H C 1.755 177.109 175.328 0.043 0.000 1.087 49 H CA 2.035 58.102 56.048 0.032 0.000 1.291 49 H CB -0.530 29.264 29.762 0.052 0.000 1.369 49 H HN 0.345 nan 8.280 nan 0.000 0.492 50 L N -0.504 120.658 121.223 -0.101 0.000 2.042 50 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 50 L C 2.622 179.549 176.870 0.094 0.000 1.076 50 L CA 1.216 55.965 54.840 -0.153 0.000 0.749 50 L CB -0.551 41.381 42.059 -0.211 0.000 0.893 50 L HN 0.285 nan 8.230 nan 0.000 0.432 51 L N 0.259 121.570 121.223 0.146 0.000 2.056 51 L HA -0.221 4.119 4.340 -0.000 0.000 0.207 51 L C 2.248 179.307 176.870 0.314 0.000 1.078 51 L CA 1.770 56.783 54.840 0.288 0.000 0.749 51 L CB -0.916 41.289 42.059 0.244 0.000 0.901 51 L HN 0.298 nan 8.230 nan 0.000 0.433 52 N N -0.622 118.231 118.700 0.255 0.000 2.166 52 N HA -0.259 4.481 4.740 -0.000 0.000 0.186 52 N C 1.958 177.612 175.510 0.240 0.000 1.019 52 N CA 0.934 54.146 53.050 0.270 0.000 0.856 52 N CB 0.041 38.694 38.487 0.277 0.000 0.993 52 N HN 0.197 nan 8.380 nan 0.000 0.426 53 R N -0.276 120.322 120.500 0.164 0.000 2.193 53 R HA 0.098 4.438 4.340 -0.000 0.000 0.213 53 R C 1.593 177.936 176.300 0.071 0.000 1.055 53 R CA 0.665 56.813 56.100 0.079 0.000 0.995 53 R CB -0.455 29.788 30.300 -0.095 0.000 0.893 53 R HN 0.271 nan 8.270 nan 0.000 0.459 54 F N 0.049 120.042 119.950 0.072 0.000 2.615 54 F HA 0.133 4.660 4.527 -0.000 0.000 0.297 54 F C 0.172 175.963 175.800 -0.014 0.000 1.124 54 F CA -0.079 57.952 58.000 0.051 0.000 1.451 54 F CB 0.177 39.276 39.000 0.165 0.000 1.103 54 F HN -0.000 nan 8.300 nan 0.000 0.569 55 N N 0.348 119.181 118.700 0.221 0.000 2.454 55 N HA 0.057 4.797 4.740 -0.000 0.000 0.254 55 N C -0.457 175.048 175.510 -0.009 0.000 1.228 55 N CA 0.380 53.398 53.050 -0.053 0.000 0.900 55 N CB 0.095 38.490 38.487 -0.154 0.000 1.089 55 N HN 0.133 nan 8.380 nan 0.000 0.449 56 F N -1.957 117.977 119.950 -0.027 0.000 2.746 56 F HA -0.281 4.246 4.527 -0.000 0.000 0.315 56 F C 1.102 176.857 175.800 -0.075 0.000 0.666 56 F CA 0.175 58.115 58.000 -0.101 0.000 1.381 56 F CB -1.134 37.816 39.000 -0.082 0.000 1.739 56 F HN 0.527 nan 8.300 nan 0.000 0.322 57 Q N 0.530 120.365 119.800 0.058 0.000 2.442 57 Q HA 0.264 4.604 4.340 -0.000 0.000 0.175 57 Q C 0.545 176.534 176.000 -0.019 0.000 1.096 57 Q CA -0.013 55.816 55.803 0.042 0.000 1.009 57 Q CB 0.053 28.861 28.738 0.116 0.000 2.678 57 Q HN 0.132 nan 8.270 nan 0.000 0.509 58 N N 1.018 119.701 118.700 -0.029 0.000 2.520 58 N HA 0.126 4.866 4.740 -0.000 0.000 0.273 58 N C -0.168 175.260 175.510 -0.136 0.000 1.155 58 N CA 0.120 53.133 53.050 -0.062 0.000 0.967 58 N CB 0.837 39.305 38.487 -0.032 0.000 1.092 58 N HN 0.474 nan 8.380 nan 0.000 0.457 59 T N -1.301 113.179 114.554 -0.123 0.000 2.893 59 T HA 0.333 4.683 4.350 -0.000 0.000 0.279 59 T C 0.962 175.602 174.700 -0.101 0.000 0.991 59 T CA -0.646 61.366 62.100 -0.147 0.000 0.950 59 T CB 0.729 69.518 68.868 -0.131 0.000 1.223 59 T HN 0.214 nan 8.240 nan 0.000 0.585 60 N N 0.347 118.995 118.700 -0.086 0.000 2.463 60 N HA 0.039 4.779 4.740 -0.000 0.000 0.181 60 N C 1.622 177.112 175.510 -0.034 0.000 1.078 60 N CA 1.307 54.324 53.050 -0.054 0.000 0.902 60 N CB -0.118 38.341 38.487 -0.047 0.000 0.970 60 N HN 0.899 nan 8.380 nan 0.000 0.451 61 T N -3.841 110.691 114.554 -0.038 0.000 2.958 61 T HA 0.325 4.675 4.350 -0.000 0.000 0.256 61 T C 0.670 175.353 174.700 -0.028 0.000 0.983 61 T CA -0.283 61.801 62.100 -0.026 0.000 0.924 61 T CB 0.925 69.779 68.868 -0.023 0.000 1.136 61 T HN -0.135 nan 8.240 nan 0.000 0.506 62 R N 2.056 122.532 120.500 -0.041 0.000 2.538 62 R HA 0.576 4.916 4.340 -0.000 0.000 0.292 62 R C -0.621 175.658 176.300 -0.035 0.000 1.008 62 R CA -0.220 55.859 56.100 -0.035 0.000 0.896 62 R CB 1.892 32.161 30.300 -0.053 0.000 1.187 62 R HN 0.347 nan 8.270 nan 0.000 0.440 63 S N 2.449 118.140 115.700 -0.015 0.000 2.601 63 S HA 0.364 4.833 4.470 -0.000 0.000 0.271 63 S C 1.283 175.880 174.600 -0.005 0.000 1.305 63 S CA -0.180 58.017 58.200 -0.006 0.000 1.022 63 S CB 1.777 64.984 63.200 0.012 0.000 0.940 63 S HN 0.745 nan 8.310 nan 0.000 0.525 64 A N 1.686 124.508 122.820 0.002 0.000 1.917 64 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 64 A C 2.019 179.615 177.584 0.020 0.000 1.182 64 A CA 1.870 53.914 52.037 0.013 0.000 0.633 64 A CB -1.110 17.906 19.000 0.026 0.000 0.819 64 A HN 1.048 nan 8.150 nan 0.000 0.448 65 L N -0.172 121.064 121.223 0.021 0.000 1.989 65 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 65 L C 2.299 179.185 176.870 0.026 0.000 1.071 65 L CA 2.815 57.669 54.840 0.024 0.000 0.749 65 L CB -0.609 41.462 42.059 0.020 0.000 0.890 65 L HN 0.438 nan 8.230 nan 0.000 0.431 66 K N -0.964 119.449 120.400 0.022 0.000 2.057 66 K HA -0.218 4.102 4.320 -0.000 0.000 0.207 66 K C 2.164 178.793 176.600 0.047 0.000 1.049 66 K CA 1.715 58.019 56.287 0.028 0.000 0.931 66 K CB -0.342 32.170 32.500 0.021 0.000 0.714 66 K HN 0.332 nan 8.250 nan 0.000 0.440 67 L N 0.898 122.143 121.223 0.037 0.000 1.989 67 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 67 L C 2.001 178.943 176.870 0.120 0.000 1.071 67 L CA 1.607 56.479 54.840 0.053 0.000 0.749 67 L CB -0.594 41.431 42.059 -0.057 0.000 0.890 67 L HN 0.003 nan 8.230 nan 0.000 0.431 68 V N 0.191 120.157 119.914 0.088 0.000 2.295 68 V HA -0.245 3.874 4.120 -0.000 0.000 0.246 68 V C 2.811 178.960 176.094 0.090 0.000 1.049 68 V CA 1.840 64.207 62.300 0.110 0.000 1.024 68 V CB -0.825 31.040 31.823 0.071 0.000 0.648 68 V HN 0.445 nan 8.190 nan 0.000 0.447 69 R N 0.165 120.700 120.500 0.058 0.000 2.081 69 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 69 R C 2.126 178.441 176.300 0.025 0.000 1.131 69 R CA 1.436 57.557 56.100 0.036 0.000 0.960 69 R CB -0.666 29.648 30.300 0.023 0.000 0.856 69 R HN 0.625 nan 8.270 nan 0.000 0.436 70 E N 0.747 120.967 120.200 0.033 0.000 2.028 70 E HA -0.121 4.229 4.350 -0.000 0.000 0.191 70 E C 2.030 178.586 176.600 -0.075 0.000 0.988 70 E CA 1.637 58.021 56.400 -0.027 0.000 0.799 70 E CB 0.027 29.732 29.700 0.009 0.000 0.755 70 E HN 0.386 nan 8.360 nan 0.000 0.447 71 S N 0.961 116.699 115.700 0.063 0.000 2.400 71 S HA -0.201 4.269 4.470 -0.000 0.000 0.232 71 S C 1.761 176.413 174.600 0.085 0.000 1.025 71 S CA 1.088 59.359 58.200 0.118 0.000 0.993 71 S CB -0.336 63.127 63.200 0.438 0.000 0.808 71 S HN 0.236 nan 8.310 nan 0.000 0.478 72 E N 0.902 121.144 120.200 0.069 0.000 2.077 72 E HA -0.051 4.299 4.350 -0.000 0.000 0.193 72 E C 1.923 178.531 176.600 0.014 0.000 0.989 72 E CA 1.002 57.428 56.400 0.044 0.000 0.800 72 E CB -0.225 29.497 29.700 0.037 0.000 0.746 72 E HN 0.344 nan 8.360 nan 0.000 0.452 73 L N 0.647 121.863 121.223 -0.012 0.000 2.141 73 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 73 L C 2.255 179.101 176.870 -0.040 0.000 1.094 73 L CA 1.309 56.131 54.840 -0.030 0.000 0.763 73 L CB -0.861 41.170 42.059 -0.046 0.000 0.908 73 L HN 0.226 nan 8.230 nan 0.000 0.437 74 L N -0.638 120.548 121.223 -0.062 0.000 2.049 74 L HA 0.041 4.381 4.340 -0.000 0.000 0.203 74 L C 1.100 177.991 176.870 0.035 0.000 1.074 74 L CA 1.082 55.892 54.840 -0.050 0.000 0.749 74 L CB -0.399 41.579 42.059 -0.134 0.000 0.907 74 L HN 0.481 nan 8.230 nan 0.000 0.439 75 G N -0.257 108.584 108.800 0.068 0.000 2.756 75 G HA2 0.156 4.116 3.960 -0.000 0.000 0.151 75 G HA3 0.156 4.116 3.960 -0.000 0.000 0.151 75 G C -0.174 174.779 174.900 0.089 0.000 1.071 75 G CA -0.468 44.670 45.100 0.063 0.000 0.881 75 G HN 0.586 nan 8.290 nan 0.000 0.517 76 G N -0.761 108.110 108.800 0.118 0.000 2.720 76 G HA2 1.035 4.995 3.960 -0.000 0.000 0.295 76 G HA3 1.035 4.995 3.960 -0.000 0.000 0.295 76 G C -0.424 174.479 174.900 0.004 0.000 1.437 76 G CA 0.698 45.822 45.100 0.040 0.000 0.886 76 G HN 1.595 nan 8.290 nan 0.000 0.509 77 T N -1.695 112.771 114.554 -0.146 0.000 2.907 77 T HA 0.842 5.192 4.350 -0.000 0.000 0.290 77 T C -0.883 173.581 174.700 -0.394 0.000 1.066 77 T CA -0.773 61.241 62.100 -0.144 0.000 1.012 77 T CB 1.857 70.693 68.868 -0.054 0.000 1.184 77 T HN 0.295 nan 8.240 nan 0.000 0.522 78 F N 0.210 120.061 119.950 -0.164 0.000 2.613 78 F HA 0.899 5.426 4.527 -0.000 0.000 0.342 78 F C 0.149 175.714 175.800 -0.391 0.000 1.066 78 F CA -0.868 56.880 58.000 -0.419 0.000 1.002 78 F CB 2.090 40.446 39.000 -1.074 0.000 1.319 78 F HN 0.758 nan 8.300 nan 0.000 0.495 79 K N 0.201 120.504 120.400 -0.162 0.000 2.610 79 K HA 0.431 4.751 4.320 -0.000 0.000 0.267 79 K C -1.804 174.963 176.600 0.279 0.000 0.943 79 K CA -0.375 55.935 56.287 0.038 0.000 0.862 79 K CB 1.770 34.302 32.500 0.053 0.000 1.376 79 K HN 0.461 nan 8.250 nan 0.000 0.412 80 S N 2.535 118.442 115.700 0.345 0.000 2.733 80 S HA 0.549 5.019 4.470 -0.000 0.000 0.307 80 S C -1.055 173.706 174.600 0.267 0.000 1.127 80 S CA -0.383 58.053 58.200 0.394 0.000 1.097 80 S CB 0.515 64.009 63.200 0.489 0.000 1.003 80 S HN 0.549 nan 8.310 nan 0.000 0.477 81 T N 4.638 119.324 114.554 0.220 0.000 2.922 81 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 81 T C -0.599 174.213 174.700 0.186 0.000 1.005 81 T CA -0.474 61.730 62.100 0.173 0.000 1.061 81 T CB 1.160 70.103 68.868 0.126 0.000 1.007 81 T HN 0.535 nan 8.240 nan 0.000 0.502 82 L N 2.147 123.467 121.223 0.161 0.000 2.346 82 L HA 0.618 4.958 4.340 -0.000 0.000 0.276 82 L C -0.780 176.167 176.870 0.127 0.000 1.006 82 L CA -0.274 54.664 54.840 0.162 0.000 0.817 82 L CB 1.553 43.703 42.059 0.150 0.000 1.272 82 L HN 0.536 nan 8.230 nan 0.000 0.421 83 D N 1.620 122.118 120.400 0.163 0.000 2.621 83 D HA 0.330 4.970 4.640 -0.000 0.000 0.255 83 D C 0.083 176.457 176.300 0.124 0.000 1.122 83 D CA -0.459 53.638 54.000 0.163 0.000 1.096 83 D CB 2.115 43.078 40.800 0.271 0.000 1.282 83 D HN 0.452 nan 8.370 nan 0.000 0.619 84 R N 0.453 121.029 120.500 0.128 0.000 2.240 84 R HA 0.008 4.348 4.340 -0.000 0.000 0.203 84 R C 1.396 177.685 176.300 -0.019 0.000 1.011 84 R CA 1.349 57.455 56.100 0.010 0.000 1.007 84 R CB 0.205 30.494 30.300 -0.017 0.000 0.911 84 R HN 0.463 nan 8.270 nan 0.000 0.468 85 E N -2.282 118.000 120.200 0.137 0.000 2.399 85 E HA 0.094 4.444 4.350 -0.000 0.000 0.206 85 E C -0.466 176.230 176.600 0.160 0.000 0.812 85 E CA -0.083 56.358 56.400 0.068 0.000 1.138 85 E CB 0.245 30.043 29.700 0.162 0.000 1.140 85 E HN 0.162 nan 8.360 nan 0.000 0.536 86 Y N -0.102 120.297 120.300 0.164 0.000 2.593 86 Y HA 0.533 5.083 4.550 -0.000 0.000 0.330 86 Y C 0.174 176.169 175.900 0.158 0.000 1.223 86 Y CA -0.797 57.378 58.100 0.126 0.000 1.350 86 Y CB 1.388 39.879 38.460 0.051 0.000 1.499 86 Y HN -0.124 nan 8.280 nan 0.000 0.554 87 I N 1.144 121.934 120.570 0.365 0.000 2.588 87 I HA 0.119 4.289 4.170 -0.000 0.000 0.278 87 I C -1.456 174.834 176.117 0.288 0.000 1.144 87 I CA -0.215 61.269 61.300 0.306 0.000 1.074 87 I CB 1.460 39.656 38.000 0.326 0.000 1.235 87 I HN 0.559 nan 8.210 nan 0.000 0.472 88 T N 6.450 121.149 114.554 0.241 0.000 2.767 88 T HA 0.524 4.873 4.350 -0.000 0.000 0.284 88 T C -0.204 174.634 174.700 0.230 0.000 0.973 88 T CA -0.413 61.807 62.100 0.201 0.000 0.996 88 T CB 1.434 70.377 68.868 0.125 0.000 0.927 88 T HN 0.139 nan 8.240 nan 0.000 0.456 89 L N 3.939 125.302 121.223 0.233 0.000 2.321 89 L HA 0.431 4.771 4.340 -0.000 0.000 0.272 89 L C 0.417 177.488 176.870 0.335 0.000 1.050 89 L CA -0.121 54.919 54.840 0.333 0.000 0.893 89 L CB 0.411 42.604 42.059 0.223 0.000 1.272 89 L HN 0.459 nan 8.230 nan 0.000 0.435 90 K N 2.076 122.655 120.400 0.299 0.000 2.087 90 K HA 0.888 5.207 4.320 -0.000 0.000 0.255 90 K C -0.732 175.982 176.600 0.190 0.000 0.988 90 K CA -0.580 55.828 56.287 0.202 0.000 0.915 90 K CB 1.351 33.920 32.500 0.114 0.000 1.043 90 K HN 0.530 nan 8.250 nan 0.000 0.457 91 A N 2.300 125.186 122.820 0.110 0.000 2.476 91 A HA 0.344 4.664 4.320 -0.000 0.000 0.280 91 A C -1.158 176.425 177.584 -0.002 0.000 1.081 91 A CA -0.721 51.289 52.037 -0.045 0.000 0.753 91 A CB 1.321 20.305 19.000 -0.026 0.000 1.248 91 A HN 0.634 nan 8.150 nan 0.000 0.424 92 T N 2.834 117.308 114.554 -0.134 0.000 2.837 92 T HA 0.775 5.125 4.350 -0.000 0.000 0.285 92 T C -0.395 174.174 174.700 -0.219 0.000 0.984 92 T CA 0.075 62.051 62.100 -0.207 0.000 1.049 92 T CB 0.159 68.921 68.868 -0.177 0.000 0.947 92 T HN 0.996 nan 8.240 nan 0.000 0.472 93 F N -0.316 119.366 119.950 -0.447 0.000 3.122 93 F HA 0.603 5.130 4.527 -0.000 0.000 0.325 93 F C -1.951 173.687 175.800 -0.269 0.000 1.162 93 F CA -1.810 55.904 58.000 -0.477 0.000 0.876 93 F CB 0.769 39.131 39.000 -1.064 0.000 1.429 93 F HN 0.256 nan 8.300 nan 0.000 0.484 94 L N 2.440 123.687 121.223 0.041 0.000 2.331 94 L HA 0.314 4.654 4.340 -0.000 0.000 0.278 94 L C 1.534 178.475 176.870 0.117 0.000 1.106 94 L CA -0.484 54.363 54.840 0.012 0.000 0.824 94 L CB 1.204 43.300 42.059 0.062 0.000 1.142 94 L HN 0.851 nan 8.230 nan 0.000 0.443 95 K N 1.933 122.312 120.400 -0.035 0.000 2.056 95 K HA -0.274 4.045 4.320 -0.000 0.000 0.225 95 K C 1.059 177.774 176.600 0.192 0.000 1.053 95 K CA 2.506 58.808 56.287 0.025 0.000 0.966 95 K CB 0.059 32.551 32.500 -0.012 0.000 0.735 95 K HN 0.707 nan 8.250 nan 0.000 0.455 96 D N 0.548 121.038 120.400 0.149 0.000 2.392 96 D HA -0.094 4.546 4.640 -0.000 0.000 0.228 96 D C 0.408 176.808 176.300 0.167 0.000 1.003 96 D CA 0.782 54.870 54.000 0.147 0.000 0.917 96 D CB -0.052 40.805 40.800 0.096 0.000 0.890 96 D HN 0.324 nan 8.370 nan 0.000 0.532 97 D N 0.198 120.748 120.400 0.249 0.000 2.342 97 D HA -0.001 4.639 4.640 -0.000 0.000 0.221 97 D C 2.072 178.456 176.300 0.141 0.000 1.101 97 D CA -0.277 53.846 54.000 0.205 0.000 0.837 97 D CB 0.375 41.355 40.800 0.300 0.000 0.938 97 D HN 0.110 nan 8.370 nan 0.000 0.508 98 L N 2.623 123.951 121.223 0.175 0.000 2.030 98 L HA -0.198 4.142 4.340 -0.000 0.000 0.222 98 L C -0.780 175.981 176.870 -0.183 0.000 1.082 98 L CA 2.483 57.360 54.840 0.062 0.000 0.785 98 L CB -1.521 40.680 42.059 0.236 0.000 0.895 98 L HN 0.027 nan 8.230 nan 0.000 0.439 99 P HA -0.298 nan 4.420 nan 0.000 0.216 99 P C 1.582 178.670 177.300 -0.354 0.000 1.153 99 P CA 2.070 64.732 63.100 -0.729 0.000 0.858 99 P CB -0.469 30.690 31.700 -0.901 0.000 0.789 100 Y N 0.455 120.544 120.300 -0.351 0.000 2.081 100 Y HA -0.268 4.282 4.550 -0.000 0.000 0.280 100 Y C 2.504 178.154 175.900 -0.417 0.000 1.163 100 Y CA 1.852 59.715 58.100 -0.395 0.000 1.135 100 Y CB -1.336 36.810 38.460 -0.523 0.000 0.970 100 Y HN -0.158 nan 8.280 nan 0.000 0.498 101 Y N -1.407 118.724 120.300 -0.282 0.000 2.352 101 Y HA -0.148 4.402 4.550 -0.000 0.000 0.292 101 Y C 2.437 178.244 175.900 -0.154 0.000 1.136 101 Y CA 1.122 59.067 58.100 -0.259 0.000 1.227 101 Y CB -0.745 37.354 38.460 -0.603 0.000 0.991 101 Y HN -0.015 nan 8.280 nan 0.000 0.545 102 V N 0.243 120.115 119.914 -0.070 0.000 2.307 102 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 102 V C 1.573 177.623 176.094 -0.073 0.000 1.045 102 V CA 2.188 64.473 62.300 -0.025 0.000 1.024 102 V CB -0.614 31.195 31.823 -0.022 0.000 0.651 102 V HN 0.399 nan 8.190 nan 0.000 0.449 103 N N 0.322 118.917 118.700 -0.175 0.000 2.331 103 N HA -0.034 4.706 4.740 -0.000 0.000 0.180 103 N C 1.790 177.166 175.510 -0.223 0.000 1.019 103 N CA 1.192 54.128 53.050 -0.191 0.000 0.881 103 N CB -0.345 38.009 38.487 -0.222 0.000 0.972 103 N HN 0.473 nan 8.380 nan 0.000 0.435 104 A N 0.819 123.461 122.820 -0.297 0.000 1.855 104 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 104 A C 2.073 179.592 177.584 -0.109 0.000 1.191 104 A CA 0.993 52.873 52.037 -0.262 0.000 0.613 104 A CB -0.798 18.066 19.000 -0.227 0.000 0.829 104 A HN 0.191 nan 8.150 nan 0.000 0.442 105 L N -0.702 120.542 121.223 0.035 0.000 2.083 105 L HA -0.209 4.131 4.340 -0.000 0.000 0.209 105 L C 3.107 179.929 176.870 -0.081 0.000 1.083 105 L CA 1.036 55.896 54.840 0.034 0.000 0.752 105 L CB -0.631 41.510 42.059 0.137 0.000 0.899 105 L HN 0.458 nan 8.230 nan 0.000 0.433 106 A N -0.320 122.459 122.820 -0.069 0.000 1.883 106 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 106 A C 2.103 179.644 177.584 -0.072 0.000 1.186 106 A CA 2.015 54.009 52.037 -0.072 0.000 0.624 106 A CB -0.675 18.283 19.000 -0.070 0.000 0.822 106 A HN 0.377 nan 8.150 nan 0.000 0.444 107 D N -0.297 120.045 120.400 -0.096 0.000 2.133 107 D HA -0.136 4.503 4.640 -0.000 0.000 0.195 107 D C 2.093 178.316 176.300 -0.128 0.000 0.997 107 D CA 1.766 55.714 54.000 -0.087 0.000 0.840 107 D CB -0.069 40.653 40.800 -0.131 0.000 0.947 107 D HN 0.208 nan 8.370 nan 0.000 0.452 108 V N 1.095 120.877 119.914 -0.220 0.000 2.295 108 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 108 V C 2.733 178.640 176.094 -0.312 0.000 1.049 108 V CA 1.156 63.261 62.300 -0.325 0.000 1.024 108 V CB -0.475 31.032 31.823 -0.527 0.000 0.648 108 V HN 0.198 nan 8.190 nan 0.000 0.447 109 L N -1.599 119.423 121.223 -0.335 0.000 2.083 109 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 109 L C 2.462 179.267 176.870 -0.108 0.000 1.083 109 L CA 1.871 56.453 54.840 -0.430 0.000 0.752 109 L CB -0.565 41.259 42.059 -0.391 0.000 0.899 109 L HN 0.375 nan 8.230 nan 0.000 0.433 110 Y N 1.151 121.362 120.300 -0.149 0.000 2.347 110 Y HA -0.060 4.489 4.550 -0.000 0.000 0.294 110 Y C 1.400 177.272 175.900 -0.047 0.000 1.117 110 Y CA 0.722 58.779 58.100 -0.071 0.000 1.184 110 Y CB 0.446 38.865 38.460 -0.070 0.000 1.047 110 Y HN 0.058 nan 8.280 nan 0.000 0.546 111 K N 0.598 120.927 120.400 -0.119 0.000 3.301 111 K HA 0.242 4.562 4.320 -0.000 0.000 0.170 111 K C -0.850 175.632 176.600 -0.197 0.000 1.061 111 K CA -0.236 55.941 56.287 -0.184 0.000 0.807 111 K CB -0.285 32.142 32.500 -0.121 0.000 0.889 111 K HN 0.085 nan 8.250 nan 0.000 0.564 112 T N -1.626 112.753 114.554 -0.292 0.000 2.832 112 T HA 0.368 4.718 4.350 -0.000 0.000 0.296 112 T C 1.518 175.875 174.700 -0.570 0.000 0.968 112 T CA -0.188 61.605 62.100 -0.512 0.000 1.107 112 T CB 1.817 70.196 68.868 -0.815 0.000 0.916 112 T HN 0.330 nan 8.240 nan 0.000 0.517 113 A N 2.969 125.553 122.820 -0.393 0.000 1.917 113 A HA 0.062 4.382 4.320 -0.000 0.000 0.219 113 A C 1.093 178.578 177.584 -0.166 0.000 1.182 113 A CA 0.910 52.813 52.037 -0.223 0.000 0.633 113 A CB -1.222 17.699 19.000 -0.131 0.000 0.819 113 A HN 1.080 nan 8.150 nan 0.000 0.448 114 F N -1.466 118.339 119.950 -0.243 0.000 3.039 114 F HA -0.159 4.368 4.527 -0.000 0.000 0.287 114 F C 0.253 175.976 175.800 -0.128 0.000 0.956 114 F CA 0.359 58.117 58.000 -0.403 0.000 0.971 114 F CB -1.901 36.799 39.000 -0.500 0.000 0.943 114 F HN 0.112 nan 8.300 nan 0.000 0.766 115 K N 0.458 120.882 120.400 0.040 0.000 2.326 115 K HA 0.149 4.469 4.320 -0.000 0.000 0.275 115 K C -1.327 175.260 176.600 -0.021 0.000 1.018 115 K CA -1.492 54.752 56.287 -0.072 0.000 0.962 115 K CB 0.379 32.663 32.500 -0.360 0.000 0.953 115 K HN -0.037 nan 8.250 nan 0.000 0.475 116 P HA -0.174 nan 4.420 nan 0.000 0.218 116 P C 1.036 178.380 177.300 0.072 0.000 1.148 116 P CA 1.364 64.505 63.100 0.070 0.000 0.822 116 P CB -0.021 31.725 31.700 0.076 0.000 0.784 117 H N -0.870 118.245 119.070 0.075 0.000 2.502 117 H HA 0.127 4.683 4.556 -0.000 0.000 0.283 117 H C 1.290 176.635 175.328 0.028 0.000 1.015 117 H CA 0.711 56.785 56.048 0.042 0.000 1.298 117 H CB -0.442 29.338 29.762 0.030 0.000 1.411 117 H HN 0.197 nan 8.280 nan 0.000 0.556 118 E N 0.656 120.716 120.200 -0.234 0.000 2.152 118 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 118 E C 2.195 178.677 176.600 -0.196 0.000 0.983 118 E CA 0.552 56.864 56.400 -0.146 0.000 0.818 118 E CB 0.146 29.782 29.700 -0.107 0.000 0.758 118 E HN 0.248 nan 8.360 nan 0.000 0.467 119 L N 1.403 122.579 121.223 -0.079 0.000 1.961 119 L HA -0.177 4.162 4.340 -0.000 0.000 0.210 119 L C 2.600 179.412 176.870 -0.097 0.000 1.072 119 L CA 2.612 57.385 54.840 -0.112 0.000 0.749 119 L CB -1.142 40.969 42.059 0.088 0.000 0.889 119 L HN 0.170 nan 8.230 nan 0.000 0.432 120 T N -3.508 111.038 114.554 -0.013 0.000 2.833 120 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 120 T C 1.611 176.311 174.700 0.001 0.000 1.054 120 T CA 1.630 63.733 62.100 0.005 0.000 1.135 120 T CB -0.513 68.378 68.868 0.039 0.000 0.869 120 T HN 0.557 nan 8.240 nan 0.000 0.466 121 E N 0.491 120.695 120.200 0.008 0.000 2.276 121 E HA 0.129 4.479 4.350 -0.000 0.000 0.193 121 E C 1.901 178.486 176.600 -0.025 0.000 0.983 121 E CA 0.740 57.146 56.400 0.010 0.000 0.861 121 E CB 0.309 30.041 29.700 0.054 0.000 0.817 121 E HN 0.519 nan 8.360 nan 0.000 0.485 122 S N -0.590 115.064 115.700 -0.078 0.000 2.930 122 S HA 0.051 4.521 4.470 -0.000 0.000 0.253 122 S C 1.938 176.444 174.600 -0.157 0.000 1.083 122 S CA -0.190 57.948 58.200 -0.104 0.000 0.836 122 S CB 0.465 63.601 63.200 -0.108 0.000 0.814 122 S HN -0.048 nan 8.310 nan 0.000 0.467 123 V N 3.074 122.819 119.914 -0.283 0.000 2.255 123 V HA -0.045 4.075 4.120 -0.000 0.000 0.243 123 V C 2.218 178.192 176.094 -0.200 0.000 1.038 123 V CA 1.545 63.640 62.300 -0.341 0.000 1.008 123 V CB -0.779 30.643 31.823 -0.668 0.000 0.645 123 V HN 0.354 nan 8.190 nan 0.000 0.449 124 L N -0.246 120.886 121.223 -0.151 0.000 2.012 124 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 124 L C 0.106 176.984 176.870 0.014 0.000 1.073 124 L CA 1.924 56.728 54.840 -0.061 0.000 0.748 124 L CB -1.846 40.200 42.059 -0.022 0.000 0.891 124 L HN 0.357 nan 8.230 nan 0.000 0.431 125 P HA -0.153 nan 4.420 nan 0.000 0.215 125 P C 1.509 178.864 177.300 0.091 0.000 1.157 125 P CA 1.736 64.864 63.100 0.047 0.000 0.863 125 P CB -0.002 31.705 31.700 0.011 0.000 0.787 126 A N -0.137 122.717 122.820 0.057 0.000 1.933 126 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 126 A C 2.276 179.991 177.584 0.220 0.000 1.175 126 A CA 2.102 54.221 52.037 0.137 0.000 0.628 126 A CB -1.573 17.468 19.000 0.068 0.000 0.814 126 A HN 0.198 nan 8.150 nan 0.000 0.444 127 A N -0.777 122.099 122.820 0.093 0.000 1.929 127 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 127 A C 2.162 179.931 177.584 0.309 0.000 1.176 127 A CA 1.621 53.721 52.037 0.105 0.000 0.628 127 A CB -0.341 18.546 19.000 -0.189 0.000 0.816 127 A HN 0.404 nan 8.150 nan 0.000 0.444 128 R N -1.466 119.187 120.500 0.254 0.000 2.096 128 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 128 R C 1.948 178.422 176.300 0.290 0.000 1.127 128 R CA 1.749 58.014 56.100 0.275 0.000 0.968 128 R CB -0.732 29.691 30.300 0.205 0.000 0.861 128 R HN 0.742 nan 8.270 nan 0.000 0.440 129 Y N 0.954 121.338 120.300 0.139 0.000 2.200 129 Y HA -0.149 4.401 4.550 -0.000 0.000 0.290 129 Y C 1.394 177.366 175.900 0.120 0.000 1.137 129 Y CA 1.613 59.774 58.100 0.102 0.000 1.163 129 Y CB -0.257 38.248 38.460 0.074 0.000 0.988 129 Y HN 0.028 nan 8.280 nan 0.000 0.518 130 D N -0.316 120.083 120.400 -0.001 0.000 2.092 130 D HA -0.243 4.397 4.640 -0.000 0.000 0.193 130 D C 1.954 178.247 176.300 -0.010 0.000 0.994 130 D CA 1.868 55.813 54.000 -0.091 0.000 0.828 130 D CB -0.893 40.036 40.800 0.215 0.000 0.963 130 D HN 0.489 nan 8.370 nan 0.000 0.450 131 Y N 1.547 121.861 120.300 0.023 0.000 2.224 131 Y HA -0.131 4.419 4.550 -0.000 0.000 0.289 131 Y C 2.172 178.055 175.900 -0.028 0.000 1.146 131 Y CA 1.258 59.356 58.100 -0.003 0.000 1.182 131 Y CB -0.513 37.977 38.460 0.051 0.000 0.983 131 Y HN -0.054 nan 8.280 nan 0.000 0.524 132 A N -0.748 122.003 122.820 -0.115 0.000 1.902 132 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 132 A C 2.385 179.853 177.584 -0.193 0.000 1.181 132 A CA 1.961 53.891 52.037 -0.179 0.000 0.623 132 A CB -1.272 17.721 19.000 -0.012 0.000 0.818 132 A HN 0.296 nan 8.150 nan 0.000 0.443 133 V N -0.205 119.582 119.914 -0.211 0.000 2.343 133 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 133 V C 3.004 178.993 176.094 -0.174 0.000 1.051 133 V CA 1.987 64.165 62.300 -0.203 0.000 1.036 133 V CB -1.129 30.504 31.823 -0.317 0.000 0.654 133 V HN 0.607 nan 8.190 nan 0.000 0.451 134 A N -0.737 121.967 122.820 -0.193 0.000 2.014 134 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 134 A C 2.226 179.692 177.584 -0.198 0.000 1.163 134 A CA 1.432 53.367 52.037 -0.169 0.000 0.652 134 A CB -0.432 18.495 19.000 -0.121 0.000 0.808 134 A HN 0.592 nan 8.150 nan 0.000 0.449 135 E N -0.424 119.592 120.200 -0.306 0.000 2.478 135 E HA -0.140 4.210 4.350 -0.000 0.000 0.198 135 E C 1.454 178.021 176.600 -0.055 0.000 1.046 135 E CA 0.660 56.887 56.400 -0.288 0.000 0.870 135 E CB -0.021 29.354 29.700 -0.541 0.000 0.818 135 E HN 0.763 nan 8.360 nan 0.000 0.527 136 Q N -0.902 118.872 119.800 -0.043 0.000 2.282 136 Q HA 0.132 4.472 4.340 -0.000 0.000 0.206 136 Q C -0.225 175.829 176.000 0.090 0.000 0.878 136 Q CA -0.211 55.644 55.803 0.086 0.000 0.944 136 Q CB 1.138 29.887 28.738 0.018 0.000 1.100 136 Q HN 0.099 nan 8.270 nan 0.000 0.509 137 C N 2.575 121.836 119.300 -0.064 0.000 2.251 137 C HA 0.353 4.813 4.460 -0.000 0.000 0.323 137 C C -1.252 173.550 174.990 -0.313 0.000 1.241 137 C CA -2.270 56.663 59.018 -0.141 0.000 1.601 137 C CB 0.672 28.323 27.740 -0.147 0.000 2.251 137 C HN 0.327 nan 8.230 nan 0.000 0.488 138 P HA -0.133 nan 4.420 nan 0.000 0.220 138 P C 1.448 178.492 177.300 -0.427 0.000 1.148 138 P CA 1.948 64.634 63.100 -0.690 0.000 0.803 138 P CB -0.131 31.166 31.700 -0.672 0.000 0.782 139 V N -1.487 118.206 119.914 -0.369 0.000 2.427 139 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 139 V C 2.339 178.162 176.094 -0.452 0.000 1.051 139 V CA 1.492 63.505 62.300 -0.478 0.000 1.048 139 V CB -1.559 29.879 31.823 -0.642 0.000 0.666 139 V HN -0.026 nan 8.190 nan 0.000 0.456 140 K N 0.988 121.187 120.400 -0.335 0.000 2.155 140 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 140 K C 2.414 178.922 176.600 -0.153 0.000 1.052 140 K CA 1.505 57.659 56.287 -0.222 0.000 0.948 140 K CB -0.259 32.131 32.500 -0.182 0.000 0.728 140 K HN 0.568 nan 8.250 nan 0.000 0.448 141 S N 1.106 116.685 115.700 -0.202 0.000 2.383 141 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 141 S C 2.100 176.640 174.600 -0.100 0.000 1.026 141 S CA 1.151 59.256 58.200 -0.158 0.000 0.981 141 S CB -0.125 62.915 63.200 -0.265 0.000 0.818 141 S HN 0.401 nan 8.310 nan 0.000 0.472 142 A N 1.745 124.497 122.820 -0.112 0.000 1.840 142 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 142 A C 2.026 179.677 177.584 0.111 0.000 1.198 142 A CA 1.533 53.563 52.037 -0.011 0.000 0.608 142 A CB -0.782 18.237 19.000 0.031 0.000 0.839 142 A HN 0.532 nan 8.150 nan 0.000 0.443 143 E N -0.315 119.984 120.200 0.166 0.000 2.171 143 E HA -0.286 4.064 4.350 -0.000 0.000 0.197 143 E C 1.283 178.062 176.600 0.298 0.000 0.997 143 E CA 1.669 58.257 56.400 0.313 0.000 0.810 143 E CB -0.162 29.684 29.700 0.244 0.000 0.738 143 E HN 0.615 nan 8.360 nan 0.000 0.467 144 D N -0.470 120.016 120.400 0.143 0.000 2.137 144 D HA -0.110 4.530 4.640 -0.000 0.000 0.202 144 D C 1.952 178.335 176.300 0.138 0.000 0.970 144 D CA 0.680 54.753 54.000 0.121 0.000 0.837 144 D CB 0.071 40.894 40.800 0.038 0.000 0.981 144 D HN 0.088 nan 8.370 nan 0.000 0.475 145 Q N -0.106 119.744 119.800 0.083 0.000 2.167 145 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 145 Q C 2.032 178.064 176.000 0.053 0.000 0.970 145 Q CA 0.500 56.332 55.803 0.047 0.000 0.855 145 Q CB -0.222 28.515 28.738 -0.002 0.000 0.911 145 Q HN 0.280 nan 8.270 nan 0.000 0.438 146 L N -0.597 120.673 121.223 0.078 0.000 1.994 146 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 146 L C 2.120 178.971 176.870 -0.032 0.000 1.071 146 L CA 1.732 56.573 54.840 0.002 0.000 0.745 146 L CB -1.255 40.796 42.059 -0.013 0.000 0.892 146 L HN 0.198 nan 8.230 nan 0.000 0.431 147 Y N -0.600 119.711 120.300 0.017 0.000 2.165 147 Y HA -0.252 4.298 4.550 -0.000 0.000 0.286 147 Y C 2.465 178.394 175.900 0.047 0.000 1.155 147 Y CA 1.570 59.709 58.100 0.066 0.000 1.164 147 Y CB -0.742 37.823 38.460 0.174 0.000 0.978 147 Y HN 0.213 nan 8.280 nan 0.000 0.513 148 A N 0.217 123.153 122.820 0.194 0.000 2.019 148 A HA -0.154 4.166 4.320 -0.000 0.000 0.219 148 A C 2.132 179.732 177.584 0.027 0.000 1.164 148 A CA 1.886 53.985 52.037 0.104 0.000 0.644 148 A CB -1.166 17.873 19.000 0.065 0.000 0.805 148 A HN 0.660 nan 8.150 nan 0.000 0.449 149 I N -2.864 117.699 120.570 -0.013 0.000 2.731 149 I HA -0.022 4.148 4.170 -0.000 0.000 0.260 149 I C 2.323 178.401 176.117 -0.066 0.000 1.138 149 I CA 1.455 62.721 61.300 -0.057 0.000 1.461 149 I CB -1.049 36.929 38.000 -0.037 0.000 1.128 149 I HN 0.262 nan 8.210 nan 0.000 0.438 150 T N 0.910 115.373 114.554 -0.152 0.000 2.612 150 T HA -0.046 4.304 4.350 -0.000 0.000 0.259 150 T C 0.648 175.308 174.700 -0.066 0.000 1.065 150 T CA 0.877 62.819 62.100 -0.263 0.000 1.167 150 T CB -1.062 67.317 68.868 -0.815 0.000 0.863 150 T HN 0.231 nan 8.240 nan 0.000 0.407 151 F N 2.271 122.347 119.950 0.209 0.000 2.425 151 F HA 0.570 5.097 4.527 -0.000 0.000 0.354 151 F C 1.389 177.276 175.800 0.144 0.000 1.162 151 F CA -1.678 56.455 58.000 0.222 0.000 1.250 151 F CB -0.120 38.978 39.000 0.163 0.000 1.579 151 F HN -0.006 nan 8.300 nan 0.000 0.589 152 R N 1.106 121.741 120.500 0.224 0.000 2.417 152 R HA -0.146 4.194 4.340 -0.000 0.000 0.220 152 R C 1.297 177.638 176.300 0.068 0.000 1.128 152 R CA 1.197 57.313 56.100 0.027 0.000 1.048 152 R CB -0.031 30.116 30.300 -0.256 0.000 0.835 152 R HN 0.539 nan 8.270 nan 0.000 0.483 153 K N -2.969 117.512 120.400 0.135 0.000 2.313 153 K HA 0.018 4.337 4.320 -0.000 0.000 0.159 153 K C 0.740 177.383 176.600 0.072 0.000 1.815 153 K CA 0.345 56.683 56.287 0.085 0.000 1.013 153 K CB 0.309 32.847 32.500 0.063 0.000 1.728 153 K HN 0.181 nan 8.250 nan 0.000 0.502 154 G N 0.826 109.684 108.800 0.096 0.000 2.680 154 G HA2 0.081 4.041 3.960 -0.000 0.000 0.224 154 G HA3 0.081 4.041 3.960 -0.000 0.000 0.224 154 G C 0.700 175.561 174.900 -0.066 0.000 1.454 154 G CA -0.064 45.032 45.100 -0.006 0.000 0.900 154 G HN 0.026 nan 8.290 nan 0.000 0.570 155 L N 1.839 123.019 121.223 -0.073 0.000 2.591 155 L HA 0.327 4.667 4.340 -0.000 0.000 0.228 155 L C 2.400 179.415 176.870 0.242 0.000 1.133 155 L CA 0.726 55.524 54.840 -0.071 0.000 0.880 155 L CB 0.186 42.070 42.059 -0.292 0.000 1.033 155 L HN 0.305 nan 8.230 nan 0.000 0.450 156 G N -1.268 107.708 108.800 0.293 0.000 3.181 156 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.219 156 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.219 156 G C 0.583 175.556 174.900 0.122 0.000 1.182 156 G CA -0.275 44.995 45.100 0.283 0.000 0.791 156 G HN 0.189 nan 8.290 nan 0.000 0.537 157 N N 1.438 120.170 118.700 0.053 0.000 2.530 157 N HA 0.262 5.002 4.740 -0.000 0.000 0.273 157 N C -2.595 172.903 175.510 -0.021 0.000 1.173 157 N CA -1.517 51.535 53.050 0.003 0.000 0.967 157 N CB 1.150 39.622 38.487 -0.026 0.000 1.109 157 N HN -0.071 nan 8.380 nan 0.000 0.453 158 P HA -0.040 nan 4.420 nan 0.000 0.262 158 P C 0.850 178.116 177.300 -0.056 0.000 1.182 158 P CA -0.169 62.908 63.100 -0.038 0.000 0.761 158 P CB 0.598 32.270 31.700 -0.046 0.000 0.795 159 L N 5.158 126.336 121.223 -0.075 0.000 2.044 159 L HA 0.033 4.373 4.340 -0.000 0.000 0.205 159 L C 0.479 177.285 176.870 -0.107 0.000 1.075 159 L CA 1.802 56.586 54.840 -0.094 0.000 0.747 159 L CB -0.394 41.594 42.059 -0.118 0.000 0.903 159 L HN 0.244 nan 8.230 nan 0.000 0.435 160 L N -1.936 119.216 121.223 -0.120 0.000 2.322 160 L HA 0.246 4.586 4.340 -0.000 0.000 0.269 160 L C -0.751 176.135 176.870 0.027 0.000 1.012 160 L CA -1.075 53.665 54.840 -0.166 0.000 0.815 160 L CB 1.056 42.972 42.059 -0.238 0.000 1.295 160 L HN -0.069 nan 8.230 nan 0.000 0.438 161 Y N 1.400 121.796 120.300 0.160 0.000 2.359 161 Y HA 0.089 4.639 4.550 -0.000 0.000 0.330 161 Y C 0.234 175.993 175.900 -0.235 0.000 1.143 161 Y CA 0.087 58.191 58.100 0.008 0.000 1.318 161 Y CB 0.801 39.300 38.460 0.065 0.000 1.234 161 Y HN 0.745 nan 8.280 nan 0.000 0.522 162 D N 1.971 121.776 120.400 -0.991 0.000 2.538 162 D HA 0.174 4.814 4.640 -0.000 0.000 0.241 162 D C 1.121 176.891 176.300 -0.884 0.000 1.297 162 D CA 0.273 53.640 54.000 -1.055 0.000 0.804 162 D CB 0.212 40.324 40.800 -1.147 0.000 1.122 162 D HN 0.874 nan 8.370 nan 0.000 0.519 163 G N 0.730 108.756 108.800 -1.291 0.000 2.162 163 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.260 163 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.260 163 G C 1.309 176.037 174.900 -0.287 0.000 0.976 163 G CA 1.037 45.738 45.100 -0.666 0.000 0.655 163 G HN 0.916 nan 8.290 nan 0.000 0.533 164 V N -1.421 118.333 119.914 -0.267 0.000 2.407 164 V HA 0.154 4.274 4.120 -0.000 0.000 0.248 164 V C 0.978 177.028 176.094 -0.074 0.000 1.055 164 V CA 2.277 64.496 62.300 -0.136 0.000 1.049 164 V CB -0.486 31.267 31.823 -0.117 0.000 0.662 164 V HN 0.970 nan 8.190 nan 0.000 0.455 165 E N 0.409 120.576 120.200 -0.055 0.000 2.222 165 E HA 0.487 4.837 4.350 -0.000 0.000 0.267 165 E C -0.765 175.865 176.600 0.049 0.000 0.884 165 E CA -1.196 55.201 56.400 -0.004 0.000 0.764 165 E CB 1.409 31.108 29.700 -0.001 0.000 1.169 165 E HN 0.199 nan 8.360 nan 0.000 0.413 166 R N 1.481 122.010 120.500 0.047 0.000 2.697 166 R HA 0.168 4.507 4.340 -0.000 0.000 0.265 166 R C -0.378 175.968 176.300 0.078 0.000 1.009 166 R CA -0.209 55.933 56.100 0.071 0.000 1.099 166 R CB 0.146 30.469 30.300 0.038 0.000 0.965 166 R HN 0.446 nan 8.270 nan 0.000 0.428 167 V N 1.960 121.921 119.914 0.078 0.000 2.559 167 V HA 0.116 4.236 4.120 -0.000 0.000 0.289 167 V C 0.196 176.269 176.094 -0.035 0.000 1.036 167 V CA -0.737 61.565 62.300 0.003 0.000 0.887 167 V CB 1.612 33.404 31.823 -0.052 0.000 1.022 167 V HN 0.981 nan 8.190 nan 0.000 0.442 168 S N 4.671 120.351 115.700 -0.033 0.000 2.681 168 S HA 0.502 4.972 4.470 -0.000 0.000 0.270 168 S C 1.156 175.724 174.600 -0.052 0.000 1.209 168 S CA -0.612 57.569 58.200 -0.032 0.000 0.988 168 S CB 1.294 64.480 63.200 -0.024 0.000 1.006 168 S HN 0.573 nan 8.310 nan 0.000 0.558 169 L N 0.064 121.266 121.223 -0.035 0.000 2.131 169 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 169 L C 2.762 179.545 176.870 -0.145 0.000 1.092 169 L CA 1.823 56.636 54.840 -0.044 0.000 0.759 169 L CB -0.589 41.471 42.059 0.002 0.000 0.903 169 L HN 0.868 nan 8.230 nan 0.000 0.435 170 Q N 0.292 120.023 119.800 -0.116 0.000 2.079 170 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 170 Q C 1.682 177.590 176.000 -0.153 0.000 0.974 170 Q CA 1.989 57.708 55.803 -0.141 0.000 0.840 170 Q CB -0.114 28.570 28.738 -0.088 0.000 0.898 170 Q HN 0.429 nan 8.270 nan 0.000 0.430 171 D N -0.260 120.074 120.400 -0.109 0.000 2.149 171 D HA -0.156 4.484 4.640 -0.000 0.000 0.198 171 D C 1.793 178.029 176.300 -0.107 0.000 0.990 171 D CA 1.262 55.211 54.000 -0.085 0.000 0.839 171 D CB -0.169 40.593 40.800 -0.063 0.000 0.948 171 D HN 0.390 nan 8.370 nan 0.000 0.460 172 I N 0.366 120.835 120.570 -0.169 0.000 2.394 172 I HA -0.193 3.977 4.170 -0.000 0.000 0.251 172 I C 2.354 178.221 176.117 -0.417 0.000 1.136 172 I CA 0.862 62.036 61.300 -0.211 0.000 1.425 172 I CB -0.079 37.814 38.000 -0.179 0.000 1.079 172 I HN -0.079 nan 8.210 nan 0.000 0.425 173 K N 0.709 120.777 120.400 -0.554 0.000 2.031 173 K HA -0.154 4.166 4.320 -0.000 0.000 0.205 173 K C 1.722 178.102 176.600 -0.367 0.000 1.049 173 K CA 1.431 57.294 56.287 -0.706 0.000 0.939 173 K CB 0.002 32.151 32.500 -0.586 0.000 0.717 173 K HN 0.168 nan 8.250 nan 0.000 0.438 174 D N 0.292 120.559 120.400 -0.221 0.000 2.104 174 D HA -0.191 4.449 4.640 -0.000 0.000 0.194 174 D C 1.590 177.823 176.300 -0.111 0.000 0.994 174 D CA 1.006 54.925 54.000 -0.134 0.000 0.830 174 D CB -0.264 40.490 40.800 -0.076 0.000 0.959 174 D HN 0.103 nan 8.370 nan 0.000 0.452 175 F N 1.342 121.165 119.950 -0.212 0.000 2.216 175 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 175 F C 2.161 177.796 175.800 -0.274 0.000 1.085 175 F CA 1.282 59.164 58.000 -0.197 0.000 1.326 175 F CB -0.096 38.806 39.000 -0.163 0.000 1.027 175 F HN -0.067 nan 8.300 nan 0.000 0.497 176 A N -0.343 122.314 122.820 -0.271 0.000 1.969 176 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 176 A C 1.982 179.362 177.584 -0.341 0.000 1.169 176 A CA 1.767 53.545 52.037 -0.431 0.000 0.635 176 A CB -0.796 18.081 19.000 -0.205 0.000 0.810 176 A HN 0.385 nan 8.150 nan 0.000 0.445 177 D N 0.032 120.284 120.400 -0.246 0.000 2.097 177 D HA -0.111 4.529 4.640 -0.000 0.000 0.195 177 D C 1.955 178.139 176.300 -0.194 0.000 0.989 177 D CA 1.335 55.236 54.000 -0.164 0.000 0.827 177 D CB -0.196 40.520 40.800 -0.141 0.000 0.966 177 D HN 0.487 nan 8.370 nan 0.000 0.456 178 K N 0.325 120.550 120.400 -0.292 0.000 1.984 178 K HA -0.057 4.263 4.320 -0.000 0.000 0.209 178 K C 2.220 178.606 176.600 -0.356 0.000 1.046 178 K CA 0.783 56.884 56.287 -0.310 0.000 0.934 178 K CB -0.200 32.080 32.500 -0.367 0.000 0.717 178 K HN -0.019 nan 8.250 nan 0.000 0.438 179 V N 0.539 120.110 119.914 -0.572 0.000 2.548 179 V HA -0.181 3.938 4.120 -0.000 0.000 0.249 179 V C 0.987 176.974 176.094 -0.177 0.000 1.055 179 V CA 1.156 63.154 62.300 -0.502 0.000 1.065 179 V CB -0.451 30.895 31.823 -0.794 0.000 0.681 179 V HN 0.263 nan 8.190 nan 0.000 0.462 180 Y N 1.919 122.132 120.300 -0.144 0.000 2.714 180 Y HA 0.389 4.939 4.550 -0.000 0.000 0.333 180 Y C 0.704 176.580 175.900 -0.039 0.000 1.220 180 Y CA -0.617 57.447 58.100 -0.060 0.000 1.513 180 Y CB 0.058 38.502 38.460 -0.027 0.000 1.435 180 Y HN 0.282 nan 8.280 nan 0.000 0.489 181 T N -2.825 111.799 114.554 0.116 0.000 2.883 181 T HA 0.297 4.647 4.350 -0.000 0.000 0.301 181 T C 0.559 175.289 174.700 0.051 0.000 1.158 181 T CA -1.204 60.931 62.100 0.059 0.000 1.007 181 T CB 2.098 70.968 68.868 0.004 0.000 1.186 181 T HN 0.358 nan 8.240 nan 0.000 0.499 182 K N 0.128 120.551 120.400 0.039 0.000 2.147 182 K HA -0.053 4.267 4.320 -0.000 0.000 0.205 182 K C 1.331 177.947 176.600 0.027 0.000 1.049 182 K CA 1.099 57.406 56.287 0.032 0.000 0.936 182 K CB 0.054 32.567 32.500 0.021 0.000 0.722 182 K HN 0.547 nan 8.250 nan 0.000 0.446 183 E N 0.539 120.745 120.200 0.009 0.000 2.445 183 E HA -0.020 4.330 4.350 -0.000 0.000 0.189 183 E C 0.398 176.987 176.600 -0.018 0.000 1.069 183 E CA 0.308 56.704 56.400 -0.006 0.000 0.871 183 E CB 0.186 29.872 29.700 -0.022 0.000 0.991 183 E HN 0.172 nan 8.360 nan 0.000 0.481 184 N N 0.098 118.802 118.700 0.007 0.000 2.116 184 N HA 0.063 4.803 4.740 -0.000 0.000 0.230 184 N C -0.693 174.893 175.510 0.126 0.000 1.326 184 N CA 0.023 53.079 53.050 0.010 0.000 0.867 184 N CB 0.631 39.080 38.487 -0.064 0.000 1.174 184 N HN 0.018 nan 8.380 nan 0.000 0.506 185 L N -1.761 119.538 121.223 0.127 0.000 2.303 185 L HA 0.798 5.138 4.340 -0.000 0.000 0.256 185 L C -0.956 176.002 176.870 0.147 0.000 1.034 185 L CA -0.720 54.212 54.840 0.153 0.000 0.832 185 L CB 1.885 44.017 42.059 0.122 0.000 1.403 185 L HN -0.157 nan 8.230 nan 0.000 0.419 186 E N 0.423 120.714 120.200 0.152 0.000 2.274 186 E HA 0.548 4.898 4.350 -0.000 0.000 0.269 186 E C -1.399 175.270 176.600 0.116 0.000 0.891 186 E CA -0.857 55.624 56.400 0.137 0.000 0.784 186 E CB 2.609 32.412 29.700 0.172 0.000 1.225 186 E HN 0.476 nan 8.360 nan 0.000 0.412 187 V N 1.902 121.873 119.914 0.096 0.000 2.732 187 V HA 0.400 4.520 4.120 -0.000 0.000 0.297 187 V C 0.132 176.279 176.094 0.089 0.000 1.060 187 V CA -0.062 62.293 62.300 0.092 0.000 1.038 187 V CB 1.542 33.416 31.823 0.086 0.000 1.003 187 V HN 0.659 nan 8.190 nan 0.000 0.481 188 S N 2.577 118.330 115.700 0.088 0.000 2.446 188 S HA 0.504 4.974 4.470 -0.000 0.000 0.230 188 S C -0.328 174.316 174.600 0.072 0.000 1.051 188 S CA -0.133 58.111 58.200 0.072 0.000 1.113 188 S CB 0.444 63.679 63.200 0.059 0.000 1.184 188 S HN 1.172 nan 8.310 nan 0.000 0.435 189 G N 2.797 111.642 108.800 0.075 0.000 2.377 189 G HA2 0.504 4.464 3.960 -0.000 0.000 0.316 189 G HA3 0.504 4.464 3.960 -0.000 0.000 0.316 189 G C -0.531 174.390 174.900 0.035 0.000 1.115 189 G CA -0.413 44.733 45.100 0.077 0.000 0.952 189 G HN 0.571 nan 8.290 nan 0.000 0.441 190 E N 2.320 122.520 120.200 0.000 0.000 2.289 190 E HA 0.179 4.529 4.350 -0.000 0.000 0.278 190 E C 0.983 177.546 176.600 -0.062 0.000 1.032 190 E CA -0.174 56.208 56.400 -0.030 0.000 0.854 190 E CB 0.311 29.984 29.700 -0.045 0.000 1.046 190 E HN 0.548 nan 8.360 nan 0.000 0.409 191 N N 2.493 121.163 118.700 -0.049 0.000 2.780 191 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 191 N C -1.595 173.888 175.510 -0.045 0.000 1.102 191 N CA 0.780 53.793 53.050 -0.062 0.000 0.697 191 N CB -0.680 37.741 38.487 -0.110 0.000 1.028 191 N HN 0.184 nan 8.380 nan 0.000 0.554 192 V N 0.677 120.592 119.914 0.001 0.000 2.925 192 V HA 0.397 4.517 4.120 -0.000 0.000 0.311 192 V C 0.546 176.674 176.094 0.056 0.000 1.104 192 V CA -1.003 61.327 62.300 0.049 0.000 0.954 192 V CB 2.123 34.006 31.823 0.099 0.000 1.022 192 V HN 0.108 nan 8.190 nan 0.000 0.427 193 V N 0.710 120.666 119.914 0.071 0.000 2.421 193 V HA 0.244 4.364 4.120 -0.000 0.000 0.271 193 V C 1.241 177.370 176.094 0.058 0.000 1.031 193 V CA 0.316 62.650 62.300 0.056 0.000 1.032 193 V CB 0.268 32.124 31.823 0.055 0.000 1.009 193 V HN 1.043 nan 8.190 nan 0.000 0.477 194 E N 4.150 124.375 120.200 0.041 0.000 2.187 194 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 194 E C 2.054 178.666 176.600 0.020 0.000 1.004 194 E CA 1.816 58.238 56.400 0.037 0.000 0.813 194 E CB -0.023 29.693 29.700 0.027 0.000 0.736 194 E HN 1.004 nan 8.360 nan 0.000 0.468 195 A N 1.342 124.165 122.820 0.005 0.000 1.841 195 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 195 A C 1.943 179.485 177.584 -0.070 0.000 1.199 195 A CA 1.964 53.985 52.037 -0.026 0.000 0.621 195 A CB -0.654 18.331 19.000 -0.025 0.000 0.835 195 A HN 0.286 nan 8.150 nan 0.000 0.445 196 D N -0.620 119.743 120.400 -0.061 0.000 2.178 196 D HA -0.098 4.542 4.640 -0.000 0.000 0.202 196 D C 1.870 178.119 176.300 -0.085 0.000 0.974 196 D CA 1.166 55.061 54.000 -0.175 0.000 0.841 196 D CB -0.283 40.525 40.800 0.012 0.000 0.953 196 D HN 0.308 nan 8.370 nan 0.000 0.478 197 L N 1.672 122.953 121.223 0.096 0.000 1.994 197 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 197 L C 2.014 178.945 176.870 0.102 0.000 1.071 197 L CA 1.838 56.782 54.840 0.174 0.000 0.745 197 L CB -0.420 41.726 42.059 0.145 0.000 0.892 197 L HN -0.185 nan 8.230 nan 0.000 0.431 198 K N -0.863 119.557 120.400 0.032 0.000 2.097 198 K HA -0.222 4.098 4.320 -0.000 0.000 0.206 198 K C 2.282 178.868 176.600 -0.023 0.000 1.049 198 K CA 1.593 57.888 56.287 0.013 0.000 0.933 198 K CB -0.263 32.236 32.500 -0.002 0.000 0.717 198 K HN 0.335 nan 8.250 nan 0.000 0.442 199 R N 0.578 121.011 120.500 -0.111 0.000 2.083 199 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 199 R C 2.046 178.255 176.300 -0.152 0.000 1.137 199 R CA 1.655 57.632 56.100 -0.206 0.000 0.951 199 R CB -0.349 29.709 30.300 -0.403 0.000 0.851 199 R HN 0.150 nan 8.270 nan 0.000 0.434 200 F N 0.200 120.160 119.950 0.017 0.000 2.186 200 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 200 F C 2.433 178.234 175.800 0.002 0.000 1.090 200 F CA 0.598 58.605 58.000 0.012 0.000 1.307 200 F CB -0.081 38.935 39.000 0.025 0.000 1.019 200 F HN -0.126 nan 8.300 nan 0.000 0.489 201 V N -0.001 120.022 119.914 0.183 0.000 2.295 201 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 201 V C 1.796 177.921 176.094 0.053 0.000 1.049 201 V CA 2.066 64.426 62.300 0.101 0.000 1.024 201 V CB -0.463 31.407 31.823 0.080 0.000 0.648 201 V HN 0.336 nan 8.190 nan 0.000 0.447 202 D N -0.767 119.654 120.400 0.036 0.000 2.224 202 D HA -0.146 4.494 4.640 -0.000 0.000 0.205 202 D C 2.081 178.385 176.300 0.007 0.000 0.965 202 D CA 0.978 54.983 54.000 0.009 0.000 0.852 202 D CB 0.143 40.941 40.800 -0.004 0.000 0.947 202 D HN 0.586 nan 8.370 nan 0.000 0.494 203 E N 1.069 121.290 120.200 0.035 0.000 2.371 203 E HA -0.069 4.281 4.350 -0.000 0.000 0.194 203 E C 1.159 177.780 176.600 0.036 0.000 1.012 203 E CA 0.024 56.450 56.400 0.044 0.000 0.860 203 E CB 0.385 30.141 29.700 0.094 0.000 0.811 203 E HN 0.154 nan 8.360 nan 0.000 0.502 204 S N -0.519 115.201 115.700 0.033 0.000 2.397 204 S HA 0.100 4.570 4.470 -0.000 0.000 0.261 204 S C 0.965 175.521 174.600 -0.073 0.000 1.187 204 S CA -0.537 57.656 58.200 -0.012 0.000 1.023 204 S CB 0.180 63.379 63.200 -0.003 0.000 1.103 204 S HN 0.126 nan 8.310 nan 0.000 0.474 205 L N 0.711 121.865 121.223 -0.114 0.000 2.592 205 L HA 0.299 4.639 4.340 -0.000 0.000 0.227 205 L C 1.854 178.609 176.870 -0.192 0.000 1.127 205 L CA 0.304 55.011 54.840 -0.221 0.000 0.884 205 L CB -0.599 41.289 42.059 -0.285 0.000 1.065 205 L HN 0.505 nan 8.230 nan 0.000 0.457 206 L N -0.316 120.852 121.223 -0.093 0.000 2.046 206 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 206 L C 2.583 179.422 176.870 -0.052 0.000 1.077 206 L CA 2.099 56.909 54.840 -0.051 0.000 0.747 206 L CB -1.464 40.588 42.059 -0.010 0.000 0.896 206 L HN 0.496 nan 8.230 nan 0.000 0.432 207 S N -2.397 113.268 115.700 -0.058 0.000 2.474 207 S HA -0.101 4.368 4.470 -0.000 0.000 0.235 207 S C 1.670 176.226 174.600 -0.074 0.000 0.997 207 S CA 1.166 59.337 58.200 -0.049 0.000 0.949 207 S CB -0.529 62.648 63.200 -0.039 0.000 0.766 207 S HN 0.394 nan 8.310 nan 0.000 0.517 208 T N 2.023 116.490 114.554 -0.145 0.000 3.081 208 T HA 0.322 4.672 4.350 -0.000 0.000 0.255 208 T C 0.508 175.138 174.700 -0.117 0.000 1.113 208 T CA -0.087 61.896 62.100 -0.194 0.000 1.082 208 T CB -0.313 68.313 68.868 -0.403 0.000 0.939 208 T HN 0.338 nan 8.240 nan 0.000 0.506 209 L N 4.034 125.224 121.223 -0.055 0.000 2.513 209 L HA 0.151 4.491 4.340 -0.000 0.000 0.272 209 L C -1.808 175.109 176.870 0.079 0.000 1.187 209 L CA -1.624 53.277 54.840 0.101 0.000 0.895 209 L CB -0.015 42.099 42.059 0.091 0.000 1.147 209 L HN -0.055 nan 8.230 nan 0.000 0.483 210 P HA 0.023 nan 4.420 nan 0.000 0.263 210 P C -0.420 176.899 177.300 0.033 0.000 1.276 210 P CA -0.247 62.888 63.100 0.058 0.000 0.986 210 P CB 0.484 32.219 31.700 0.058 0.000 1.105 211 A N 4.113 126.945 122.820 0.020 0.000 2.496 211 A HA 0.391 4.711 4.320 -0.000 0.000 0.278 211 A C 1.287 178.867 177.584 -0.007 0.000 1.137 211 A CA 0.378 52.420 52.037 0.008 0.000 0.805 211 A CB -0.452 18.551 19.000 0.005 0.000 1.077 211 A HN 0.565 nan 8.150 nan 0.000 0.513 212 G N 2.315 111.104 108.800 -0.019 0.000 3.286 212 G HA2 0.418 4.378 3.960 -0.000 0.000 0.173 212 G HA3 0.418 4.378 3.960 -0.000 0.000 0.173 212 G C 0.148 175.020 174.900 -0.047 0.000 1.704 212 G CA -0.444 44.633 45.100 -0.037 0.000 1.041 212 G HN 0.682 nan 8.290 nan 0.000 0.561 213 K N -0.448 119.911 120.400 -0.069 0.000 2.221 213 K HA 0.533 4.853 4.320 -0.000 0.000 0.243 213 K C -0.937 175.595 176.600 -0.113 0.000 0.968 213 K CA -0.423 55.816 56.287 -0.079 0.000 0.846 213 K CB 1.978 34.432 32.500 -0.077 0.000 1.141 213 K HN 0.298 nan 8.250 nan 0.000 0.434 214 S N 1.689 117.317 115.700 -0.121 0.000 2.422 214 S HA 0.200 4.670 4.470 -0.000 0.000 0.298 214 S C 0.636 175.107 174.600 -0.214 0.000 1.118 214 S CA -0.598 57.493 58.200 -0.181 0.000 1.083 214 S CB 0.176 63.279 63.200 -0.162 0.000 0.971 214 S HN 0.576 nan 8.310 nan 0.000 0.478 215 L N 5.515 126.547 121.223 -0.317 0.000 2.610 215 L HA 0.211 4.551 4.340 -0.000 0.000 0.232 215 L C -0.110 176.646 176.870 -0.191 0.000 1.149 215 L CA 0.026 54.691 54.840 -0.292 0.000 0.872 215 L CB 0.224 42.006 42.059 -0.462 0.000 0.992 215 L HN 0.504 nan 8.230 nan 0.000 0.447 216 V N 0.181 119.940 119.914 -0.257 0.000 2.390 216 V HA -0.020 4.100 4.120 -0.000 0.000 0.260 216 V C 0.747 176.809 176.094 -0.053 0.000 1.043 216 V CA 0.179 62.389 62.300 -0.150 0.000 1.047 216 V CB 0.444 32.066 31.823 -0.335 0.000 1.066 216 V HN 0.211 nan 8.190 nan 0.000 0.481 217 S N 3.823 119.534 115.700 0.018 0.000 2.537 217 S HA 0.290 4.760 4.470 -0.000 0.000 0.275 217 S C 1.015 175.620 174.600 0.008 0.000 1.272 217 S CA -0.577 57.627 58.200 0.007 0.000 1.050 217 S CB 1.105 64.315 63.200 0.017 0.000 0.961 217 S HN 0.850 nan 8.310 nan 0.000 0.496 218 K N 2.652 123.056 120.400 0.005 0.000 2.211 218 K HA 0.056 4.376 4.320 -0.000 0.000 0.201 218 K C 0.534 177.145 176.600 0.018 0.000 1.052 218 K CA 0.390 56.687 56.287 0.017 0.000 0.973 218 K CB -0.170 32.339 32.500 0.014 0.000 0.766 218 K HN 0.733 nan 8.250 nan 0.000 0.466 219 S N 1.826 117.530 115.700 0.007 0.000 2.537 219 S HA 0.019 4.489 4.470 -0.000 0.000 0.286 219 S C -0.392 174.209 174.600 0.002 0.000 1.299 219 S CA -0.516 57.685 58.200 0.002 0.000 1.067 219 S CB 0.629 63.823 63.200 -0.010 0.000 0.864 219 S HN 0.180 nan 8.310 nan 0.000 0.494 220 E N 3.260 123.467 120.200 0.012 0.000 2.452 220 E HA 0.112 4.462 4.350 -0.000 0.000 0.261 220 E C -2.107 174.487 176.600 -0.010 0.000 0.987 220 E CA -1.067 55.353 56.400 0.033 0.000 0.926 220 E CB -0.228 29.514 29.700 0.071 0.000 0.934 220 E HN 0.508 nan 8.360 nan 0.000 0.452 221 P HA -0.019 nan 4.420 nan 0.000 0.268 221 P C -0.720 176.573 177.300 -0.011 0.000 1.205 221 P CA -0.021 63.078 63.100 -0.002 0.000 0.771 221 P CB 0.449 32.093 31.700 -0.092 0.000 0.858 222 K N 4.276 124.651 120.400 -0.042 0.000 2.110 222 K HA 0.123 4.443 4.320 -0.000 0.000 0.260 222 K C -0.286 176.272 176.600 -0.069 0.000 1.126 222 K CA -0.359 55.805 56.287 -0.205 0.000 1.005 222 K CB -0.760 31.650 32.500 -0.150 0.000 1.336 222 K HN 0.322 nan 8.250 nan 0.000 0.369 223 F N 1.585 121.590 119.950 0.092 0.000 2.378 223 F HA 0.515 5.042 4.527 -0.000 0.000 0.319 223 F C -0.395 175.327 175.800 -0.129 0.000 1.155 223 F CA -1.061 57.042 58.000 0.171 0.000 1.157 223 F CB 0.213 39.346 39.000 0.222 0.000 1.252 223 F HN 0.030 nan 8.300 nan 0.000 0.550 224 F N 0.639 120.751 119.950 0.270 0.000 2.575 224 F HA 0.784 5.311 4.527 -0.000 0.000 0.330 224 F C -0.384 175.492 175.800 0.127 0.000 1.056 224 F CA -1.059 57.033 58.000 0.154 0.000 0.964 224 F CB 1.792 40.835 39.000 0.072 0.000 1.258 224 F HN 0.330 nan 8.300 nan 0.000 0.484 225 L N -0.137 121.243 121.223 0.263 0.000 2.376 225 L HA 0.647 4.987 4.340 -0.000 0.000 0.258 225 L C 0.406 177.334 176.870 0.096 0.000 1.013 225 L CA -1.003 53.922 54.840 0.141 0.000 0.822 225 L CB 2.129 44.249 42.059 0.101 0.000 1.388 225 L HN 0.785 nan 8.230 nan 0.000 0.413 226 G N 0.578 109.392 108.800 0.023 0.000 2.221 226 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.265 226 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.265 226 G C -0.091 174.835 174.900 0.044 0.000 1.041 226 G CA -0.130 44.961 45.100 -0.015 0.000 0.807 226 G HN 0.500 nan 8.290 nan 0.000 0.502 227 E N 0.394 120.640 120.200 0.078 0.000 2.191 227 E HA 0.529 4.879 4.350 -0.000 0.000 0.274 227 E C 0.352 177.017 176.600 0.109 0.000 0.948 227 E CA -0.300 56.147 56.400 0.079 0.000 0.802 227 E CB 1.568 31.303 29.700 0.058 0.000 1.137 227 E HN 0.807 nan 8.360 nan 0.000 0.397 228 E N 1.949 122.214 120.200 0.108 0.000 2.356 228 E HA 0.539 4.888 4.350 -0.000 0.000 0.275 228 E C -1.005 175.637 176.600 0.070 0.000 0.904 228 E CA -0.969 55.514 56.400 0.139 0.000 0.757 228 E CB 1.805 31.664 29.700 0.265 0.000 1.232 228 E HN 0.104 nan 8.360 nan 0.000 0.442 229 N N 1.317 120.021 118.700 0.007 0.000 2.260 229 N HA 0.397 5.137 4.740 -0.000 0.000 0.293 229 N C -1.694 173.768 175.510 -0.079 0.000 1.058 229 N CA -0.729 52.308 53.050 -0.022 0.000 0.824 229 N CB 1.953 40.424 38.487 -0.027 0.000 1.551 229 N HN 0.539 nan 8.380 nan 0.000 0.475 230 R N 1.523 121.992 120.500 -0.052 0.000 2.409 230 R HA 0.565 4.905 4.340 -0.000 0.000 0.313 230 R C -0.991 175.287 176.300 -0.037 0.000 0.953 230 R CA -0.846 55.208 56.100 -0.077 0.000 0.849 230 R CB 1.691 31.945 30.300 -0.077 0.000 1.171 230 R HN 0.143 nan 8.270 nan 0.000 0.458 231 V N 3.948 123.837 119.914 -0.041 0.000 2.409 231 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 231 V C 0.299 176.417 176.094 0.041 0.000 1.020 231 V CA -1.034 61.267 62.300 0.001 0.000 0.848 231 V CB 1.562 33.381 31.823 -0.006 0.000 0.990 231 V HN 0.672 nan 8.190 nan 0.000 0.430 232 R N 3.922 124.459 120.500 0.062 0.000 2.442 232 R HA 0.495 4.835 4.340 -0.000 0.000 0.291 232 R C -0.935 175.468 176.300 0.172 0.000 1.069 232 R CA 0.064 56.215 56.100 0.085 0.000 1.022 232 R CB 0.520 30.852 30.300 0.052 0.000 0.976 232 R HN 0.620 nan 8.270 nan 0.000 0.443 233 F N 2.773 122.708 119.950 -0.025 0.000 2.615 233 F HA 0.391 4.918 4.527 -0.000 0.000 0.312 233 F C -1.055 174.729 175.800 -0.026 0.000 1.119 233 F CA -0.993 56.989 58.000 -0.029 0.000 0.979 233 F CB 1.330 40.307 39.000 -0.038 0.000 1.266 233 F HN 0.321 nan 8.300 nan 0.000 0.444 234 I N 6.445 126.581 120.570 -0.724 0.000 2.301 234 I HA 0.634 4.804 4.170 -0.000 0.000 0.292 234 I C 0.521 176.233 176.117 -0.675 0.000 1.046 234 I CA 0.384 61.368 61.300 -0.527 0.000 1.282 234 I CB 0.196 37.961 38.000 -0.391 0.000 1.409 234 I HN 0.879 nan 8.210 nan 0.000 0.484 235 G N 5.256 113.934 108.800 -0.203 0.000 2.288 235 G HA2 -0.085 3.874 3.960 -0.000 0.000 0.227 235 G HA3 -0.085 3.874 3.960 -0.000 0.000 0.227 235 G C -1.408 173.586 174.900 0.158 0.000 1.339 235 G CA -0.863 44.237 45.100 -0.000 0.000 1.057 235 G HN 0.387 nan 8.290 nan 0.000 0.470 236 D N 0.924 121.450 120.400 0.209 0.000 2.414 236 D HA 0.520 5.160 4.640 -0.000 0.000 0.242 236 D C 0.467 176.849 176.300 0.137 0.000 1.129 236 D CA 0.555 54.633 54.000 0.130 0.000 0.885 236 D CB 1.289 42.135 40.800 0.076 0.000 1.198 236 D HN 0.359 nan 8.370 nan 0.000 0.437 237 S N 0.273 116.020 115.700 0.078 0.000 2.585 237 S HA 0.534 5.004 4.470 -0.000 0.000 0.277 237 S C -0.506 174.103 174.600 0.015 0.000 1.241 237 S CA -0.719 57.514 58.200 0.055 0.000 1.041 237 S CB 1.529 64.759 63.200 0.050 0.000 0.987 237 S HN 0.271 nan 8.310 nan 0.000 0.512 238 V N 2.170 122.075 119.914 -0.016 0.000 2.711 238 V HA 0.793 4.913 4.120 -0.000 0.000 0.304 238 V C -1.087 174.991 176.094 -0.028 0.000 1.097 238 V CA -0.528 61.761 62.300 -0.018 0.000 0.906 238 V CB 1.486 33.276 31.823 -0.055 0.000 1.015 238 V HN 0.992 nan 8.190 nan 0.000 0.427 239 A N 5.504 128.332 122.820 0.014 0.000 2.303 239 A HA 1.027 5.347 4.320 -0.000 0.000 0.320 239 A C -0.137 177.456 177.584 0.014 0.000 1.192 239 A CA 0.067 52.101 52.037 -0.005 0.000 0.821 239 A CB 1.482 20.570 19.000 0.146 0.000 1.188 239 A HN 2.117 nan 8.150 nan 0.000 0.492 240 A N 2.271 125.039 122.820 -0.087 0.000 2.498 240 A HA 0.813 5.133 4.320 -0.000 0.000 0.298 240 A C -0.537 176.973 177.584 -0.122 0.000 1.075 240 A CA -0.503 51.471 52.037 -0.106 0.000 0.714 240 A CB 0.967 19.946 19.000 -0.035 0.000 1.299 240 A HN 1.649 nan 8.150 nan 0.000 0.407 241 I N -0.869 119.581 120.570 -0.200 0.000 2.569 241 I HA 0.918 5.088 4.170 -0.000 0.000 0.296 241 I C 0.004 176.010 176.117 -0.185 0.000 1.028 241 I CA -0.904 60.305 61.300 -0.151 0.000 1.082 241 I CB 2.430 40.215 38.000 -0.359 0.000 1.264 241 I HN 0.697 nan 8.210 nan 0.000 0.429 242 G N 6.353 115.115 108.800 -0.063 0.000 2.643 242 G HA2 0.726 4.686 3.960 -0.000 0.000 0.305 242 G HA3 0.726 4.686 3.960 -0.000 0.000 0.305 242 G C -1.174 173.726 174.900 0.000 0.000 1.387 242 G CA -0.662 44.380 45.100 -0.097 0.000 0.982 242 G HN 0.632 nan 8.290 nan 0.000 0.501 243 I N 2.779 123.357 120.570 0.015 0.000 2.418 243 I HA 0.283 4.453 4.170 -0.000 0.000 0.287 243 I C -2.480 173.494 176.117 -0.239 0.000 1.008 243 I CA -2.341 58.942 61.300 -0.028 0.000 1.104 243 I CB 3.157 41.218 38.000 0.102 0.000 1.264 243 I HN 0.176 nan 8.210 nan 0.000 0.438 244 P HA 0.083 nan 4.420 nan 0.000 0.276 244 P C -0.335 176.601 177.300 -0.607 0.000 1.264 244 P CA -0.151 62.623 63.100 -0.544 0.000 0.769 244 P CB 0.721 31.789 31.700 -1.053 0.000 0.840 245 V N 1.893 121.560 119.914 -0.411 0.000 2.966 245 V HA 0.503 4.622 4.120 -0.000 0.000 0.317 245 V C 0.082 176.105 176.094 -0.119 0.000 1.070 245 V CA -0.776 61.305 62.300 -0.366 0.000 1.008 245 V CB 1.520 33.069 31.823 -0.456 0.000 1.070 245 V HN 0.298 nan 8.190 nan 0.000 0.457 246 N N 1.181 119.872 118.700 -0.015 0.000 2.463 246 N HA 0.287 5.027 4.740 -0.000 0.000 0.270 246 N C 0.561 176.119 175.510 0.080 0.000 1.205 246 N CA -0.563 52.539 53.050 0.087 0.000 0.974 246 N CB 1.339 39.890 38.487 0.107 0.000 1.197 246 N HN 0.653 nan 8.380 nan 0.000 0.504 247 K N 0.476 120.935 120.400 0.098 0.000 2.283 247 K HA -0.060 4.260 4.320 -0.000 0.000 0.202 247 K C 1.265 177.903 176.600 0.063 0.000 1.048 247 K CA 0.993 57.331 56.287 0.085 0.000 0.948 247 K CB 0.111 32.663 32.500 0.087 0.000 0.742 247 K HN 0.501 nan 8.250 nan 0.000 0.458 248 A N 0.083 122.938 122.820 0.057 0.000 2.108 248 A HA 0.056 4.376 4.320 -0.000 0.000 0.206 248 A C 1.762 179.361 177.584 0.025 0.000 1.212 248 A CA 0.190 52.250 52.037 0.038 0.000 0.843 248 A CB 0.297 19.320 19.000 0.040 0.000 0.902 248 A HN 0.117 nan 8.150 nan 0.000 0.477 249 S N 0.421 116.153 115.700 0.052 0.000 2.701 249 S HA 0.095 4.564 4.470 -0.000 0.000 0.220 249 S C 1.528 176.197 174.600 0.114 0.000 0.954 249 S CA 0.437 58.684 58.200 0.079 0.000 0.936 249 S CB -0.836 62.445 63.200 0.135 0.000 0.777 249 S HN 0.587 nan 8.310 nan 0.000 0.518 250 L N -1.411 119.837 121.223 0.040 0.000 2.418 250 L HA 0.411 4.751 4.340 -0.000 0.000 0.218 250 L C 2.139 178.962 176.870 -0.079 0.000 1.125 250 L CA 0.979 55.836 54.840 0.028 0.000 0.835 250 L CB -0.744 41.321 42.059 0.010 0.000 0.953 250 L HN 0.262 nan 8.230 nan 0.000 0.454 251 A N 1.513 124.190 122.820 -0.239 0.000 1.968 251 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 251 A C 2.377 179.611 177.584 -0.583 0.000 1.169 251 A CA 1.441 53.076 52.037 -0.670 0.000 0.638 251 A CB -0.455 18.068 19.000 -0.796 0.000 0.812 251 A HN 0.776 nan 8.150 nan 0.000 0.446 252 Q N -2.069 117.545 119.800 -0.311 0.000 2.083 252 Q HA -0.142 4.198 4.340 -0.000 0.000 0.198 252 Q C 1.755 177.525 176.000 -0.382 0.000 0.969 252 Q CA 1.577 57.191 55.803 -0.314 0.000 0.838 252 Q CB -0.667 27.901 28.738 -0.283 0.000 0.900 252 Q HN 0.611 nan 8.270 nan 0.000 0.436 253 Y N 1.335 121.428 120.300 -0.344 0.000 2.333 253 Y HA -0.115 4.435 4.550 -0.000 0.000 0.290 253 Y C 2.456 178.260 175.900 -0.160 0.000 1.144 253 Y CA 1.234 59.096 58.100 -0.397 0.000 1.228 253 Y CB 0.151 38.439 38.460 -0.286 0.000 0.985 253 Y HN 0.212 nan 8.280 nan 0.000 0.542 254 E N 0.100 120.319 120.200 0.032 0.000 2.047 254 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 254 E C 2.479 179.166 176.600 0.146 0.000 0.987 254 E CA 1.542 58.014 56.400 0.119 0.000 0.799 254 E CB -0.389 29.392 29.700 0.134 0.000 0.752 254 E HN 0.409 nan 8.360 nan 0.000 0.449 255 V N -0.012 119.947 119.914 0.075 0.000 2.515 255 V HA -0.173 3.946 4.120 -0.000 0.000 0.250 255 V C 2.437 178.581 176.094 0.083 0.000 1.058 255 V CA 1.512 63.885 62.300 0.120 0.000 1.064 255 V CB -0.650 31.221 31.823 0.080 0.000 0.675 255 V HN 0.168 nan 8.190 nan 0.000 0.461 256 L N 1.853 123.028 121.223 -0.079 0.000 2.017 256 L HA 0.051 4.391 4.340 -0.000 0.000 0.208 256 L C 2.657 179.623 176.870 0.158 0.000 1.073 256 L CA 2.626 57.386 54.840 -0.133 0.000 0.745 256 L CB -1.274 40.377 42.059 -0.680 0.000 0.894 256 L HN 0.339 nan 8.230 nan 0.000 0.432 257 A N -0.392 122.594 122.820 0.276 0.000 1.902 257 A HA -0.227 4.093 4.320 -0.000 0.000 0.217 257 A C 2.030 179.751 177.584 0.228 0.000 1.181 257 A CA 2.038 54.292 52.037 0.362 0.000 0.623 257 A CB -0.938 18.263 19.000 0.336 0.000 0.818 257 A HN 0.623 nan 8.150 nan 0.000 0.443 258 N N -1.930 116.902 118.700 0.220 0.000 2.396 258 N HA -0.070 4.669 4.740 -0.000 0.000 0.180 258 N C 1.364 177.063 175.510 0.315 0.000 1.028 258 N CA 1.218 54.410 53.050 0.237 0.000 0.893 258 N CB -0.370 38.234 38.487 0.194 0.000 0.967 258 N HN 0.693 nan 8.380 nan 0.000 0.440 259 Y N 1.099 121.487 120.300 0.147 0.000 2.206 259 Y HA 0.093 4.642 4.550 -0.000 0.000 0.292 259 Y C 1.596 177.546 175.900 0.082 0.000 1.123 259 Y CA 1.171 59.331 58.100 0.102 0.000 1.142 259 Y CB -0.339 38.151 38.460 0.049 0.000 1.006 259 Y HN -0.053 nan 8.280 nan 0.000 0.518 260 L N -0.306 120.920 121.223 0.005 0.000 2.362 260 L HA -0.116 4.224 4.340 -0.000 0.000 0.219 260 L C 0.748 177.588 176.870 -0.050 0.000 1.134 260 L CA 1.433 56.224 54.840 -0.083 0.000 0.807 260 L CB -0.568 41.548 42.059 0.095 0.000 0.927 260 L HN 0.190 nan 8.230 nan 0.000 0.447 261 T N -0.171 114.399 114.554 0.027 0.000 3.256 261 T HA 0.252 4.602 4.350 -0.000 0.000 0.249 261 T C 0.087 174.831 174.700 0.074 0.000 0.975 261 T CA -0.145 61.985 62.100 0.050 0.000 1.011 261 T CB -0.044 68.877 68.868 0.087 0.000 1.127 261 T HN 0.327 nan 8.240 nan 0.000 0.543 262 S N -0.462 115.222 115.700 -0.026 0.000 2.625 262 S HA 0.732 5.202 4.470 -0.000 0.000 0.271 262 S C 0.999 175.503 174.600 -0.160 0.000 1.161 262 S CA -0.544 57.604 58.200 -0.086 0.000 0.820 262 S CB 1.281 64.392 63.200 -0.148 0.000 1.137 262 S HN 0.082 nan 8.310 nan 0.000 0.470 263 A N 0.256 122.968 122.820 -0.180 0.000 2.216 263 A HA 0.214 4.534 4.320 -0.000 0.000 0.214 263 A C 1.664 179.164 177.584 -0.140 0.000 1.160 263 A CA 0.671 52.623 52.037 -0.141 0.000 0.725 263 A CB -1.013 17.913 19.000 -0.124 0.000 0.784 263 A HN 0.754 nan 8.150 nan 0.000 0.472 264 L N -0.841 120.281 121.223 -0.169 0.000 2.072 264 L HA -0.022 4.318 4.340 -0.000 0.000 0.205 264 L C 1.644 178.427 176.870 -0.145 0.000 1.079 264 L CA 0.772 55.556 54.840 -0.093 0.000 0.752 264 L CB -0.447 41.621 42.059 0.015 0.000 0.906 264 L HN 0.379 nan 8.230 nan 0.000 0.436 265 S N -0.286 115.169 115.700 -0.407 0.000 2.548 265 S HA 0.042 4.512 4.470 -0.000 0.000 0.277 265 S C 1.026 175.495 174.600 -0.219 0.000 1.315 265 S CA -0.468 57.428 58.200 -0.508 0.000 1.050 265 S CB 1.011 63.684 63.200 -0.878 0.000 0.918 265 S HN 0.207 nan 8.310 nan 0.000 0.497 266 E N 2.536 122.665 120.200 -0.118 0.000 2.107 266 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 266 E C 1.206 177.769 176.600 -0.061 0.000 0.982 266 E CA 0.967 57.330 56.400 -0.062 0.000 0.809 266 E CB -0.236 29.451 29.700 -0.021 0.000 0.756 266 E HN 0.742 nan 8.360 nan 0.000 0.459 267 L N -0.006 121.177 121.223 -0.066 0.000 2.682 267 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 267 L C 1.687 178.523 176.870 -0.056 0.000 1.178 267 L CA 0.358 55.172 54.840 -0.043 0.000 0.970 267 L CB -0.499 41.551 42.059 -0.014 0.000 1.179 267 L HN -0.108 nan 8.230 nan 0.000 0.435 268 S N -0.974 114.674 115.700 -0.086 0.000 2.428 268 S HA 0.039 4.509 4.470 -0.000 0.000 0.230 268 S C 1.756 176.335 174.600 -0.036 0.000 1.014 268 S CA 0.523 58.678 58.200 -0.075 0.000 0.957 268 S CB -0.733 62.405 63.200 -0.104 0.000 0.784 268 S HN 0.489 nan 8.310 nan 0.000 0.499 269 G N 0.330 109.111 108.800 -0.031 0.000 3.088 269 G HA2 0.350 4.310 3.960 -0.000 0.000 0.212 269 G HA3 0.350 4.310 3.960 -0.000 0.000 0.212 269 G C 0.775 175.672 174.900 -0.005 0.000 1.173 269 G CA -0.050 45.041 45.100 -0.016 0.000 0.779 269 G HN 0.447 nan 8.290 nan 0.000 0.540 270 L N 0.533 121.753 121.223 -0.004 0.000 2.640 270 L HA 0.458 4.798 4.340 -0.000 0.000 0.230 270 L C 0.778 177.657 176.870 0.015 0.000 1.123 270 L CA 0.054 54.898 54.840 0.006 0.000 0.900 270 L CB 0.092 42.155 42.059 0.006 0.000 1.146 270 L HN 0.339 nan 8.230 nan 0.000 0.484 271 I N -6.415 114.164 120.570 0.015 0.000 2.892 271 I HA 0.488 4.658 4.170 -0.000 0.000 0.306 271 I C 0.613 176.750 176.117 0.035 0.000 1.078 271 I CA -0.468 60.849 61.300 0.028 0.000 1.032 271 I CB 1.939 39.954 38.000 0.025 0.000 1.229 271 I HN -0.294 nan 8.210 nan 0.000 0.435 272 S N 1.388 117.122 115.700 0.058 0.000 2.404 272 S HA 0.117 4.587 4.470 -0.000 0.000 0.223 272 S C 0.677 175.317 174.600 0.066 0.000 1.040 272 S CA 0.570 58.802 58.200 0.053 0.000 0.957 272 S CB 0.040 63.270 63.200 0.050 0.000 0.826 272 S HN 0.775 nan 8.310 nan 0.000 0.491 273 S N -1.004 114.767 115.700 0.118 0.000 2.578 273 S HA 0.678 5.148 4.470 -0.000 0.000 0.272 273 S C -2.146 172.510 174.600 0.094 0.000 1.145 273 S CA -0.212 58.061 58.200 0.121 0.000 0.835 273 S CB 1.483 64.771 63.200 0.147 0.000 1.104 273 S HN 0.473 nan 8.310 nan 0.000 0.458 274 A N 2.797 125.624 122.820 0.012 0.000 2.459 274 A HA 0.858 5.178 4.320 -0.000 0.000 0.296 274 A C -1.070 176.425 177.584 -0.148 0.000 1.039 274 A CA -0.750 51.188 52.037 -0.166 0.000 0.698 274 A CB 1.278 20.231 19.000 -0.078 0.000 1.261 274 A HN 1.011 nan 8.150 nan 0.000 0.405 275 K N 0.543 120.745 120.400 -0.330 0.000 2.548 275 K HA 0.809 5.129 4.320 -0.000 0.000 0.282 275 K C -1.926 174.547 176.600 -0.211 0.000 1.006 275 K CA -0.905 55.287 56.287 -0.158 0.000 0.892 275 K CB 1.581 34.056 32.500 -0.041 0.000 1.499 275 K HN 0.735 nan 8.250 nan 0.000 0.433 276 L N 1.528 122.738 121.223 -0.022 0.000 2.342 276 L HA 0.413 4.753 4.340 -0.000 0.000 0.276 276 L C -1.581 175.261 176.870 -0.047 0.000 0.997 276 L CA -0.176 54.679 54.840 0.025 0.000 0.838 276 L CB 1.509 43.653 42.059 0.142 0.000 1.224 276 L HN 0.596 nan 8.230 nan 0.000 0.416 277 D N 5.511 125.852 120.400 -0.099 0.000 2.393 277 D HA 0.164 4.804 4.640 -0.000 0.000 0.232 277 D C -0.339 175.634 176.300 -0.544 0.000 1.192 277 D CA 0.019 53.853 54.000 -0.276 0.000 0.882 277 D CB 0.758 41.463 40.800 -0.159 0.000 1.038 277 D HN 0.469 nan 8.370 nan 0.000 0.499 278 K N 2.499 122.649 120.400 -0.416 0.000 2.297 278 K HA 0.336 4.656 4.320 -0.000 0.000 0.286 278 K C -0.022 176.335 176.600 -0.406 0.000 1.053 278 K CA -0.150 55.962 56.287 -0.292 0.000 0.940 278 K CB 1.062 33.512 32.500 -0.083 0.000 1.019 278 K HN 0.222 nan 8.250 nan 0.000 0.475 279 F N -0.719 119.304 119.950 0.121 0.000 2.908 279 F HA 0.196 4.723 4.527 -0.000 0.000 0.355 279 F C 2.061 177.947 175.800 0.143 0.000 1.367 279 F CA -0.722 57.362 58.000 0.141 0.000 1.086 279 F CB 0.601 39.658 39.000 0.095 0.000 1.702 279 F HN 0.536 nan 8.300 nan 0.000 0.463 280 T N -3.766 111.023 114.554 0.392 0.000 3.023 280 T HA 0.049 4.399 4.350 -0.000 0.000 0.249 280 T C 0.216 175.023 174.700 0.177 0.000 1.050 280 T CA 0.581 62.833 62.100 0.254 0.000 1.088 280 T CB -0.170 68.843 68.868 0.242 0.000 0.946 280 T HN 0.517 nan 8.240 nan 0.000 0.480 281 D N 0.477 120.978 120.400 0.167 0.000 2.804 281 D HA 0.504 5.144 4.640 -0.000 0.000 0.308 281 D C 0.827 177.203 176.300 0.127 0.000 1.371 281 D CA -0.169 53.896 54.000 0.109 0.000 0.823 281 D CB 0.294 41.123 40.800 0.048 0.000 1.126 281 D HN 0.590 nan 8.370 nan 0.000 0.467 282 G N -1.313 107.597 108.800 0.183 0.000 2.247 282 G HA2 0.471 4.431 3.960 -0.000 0.000 0.229 282 G HA3 0.471 4.431 3.960 -0.000 0.000 0.229 282 G C -0.348 174.708 174.900 0.261 0.000 1.345 282 G CA -0.040 45.176 45.100 0.192 0.000 1.100 282 G HN 0.954 nan 8.290 nan 0.000 0.473 283 G N -1.700 107.269 108.800 0.282 0.000 2.430 283 G HA2 0.706 4.666 3.960 -0.000 0.000 0.300 283 G HA3 0.706 4.666 3.960 -0.000 0.000 0.300 283 G C -2.340 172.729 174.900 0.281 0.000 1.330 283 G CA 0.300 45.572 45.100 0.287 0.000 0.813 283 G HN 1.905 nan 8.290 nan 0.000 0.487 284 L N -0.237 121.084 121.223 0.163 0.000 2.505 284 L HA 0.792 5.132 4.340 -0.000 0.000 0.266 284 L C -1.805 175.048 176.870 -0.028 0.000 0.954 284 L CA -0.768 54.107 54.840 0.059 0.000 0.852 284 L CB 1.824 43.919 42.059 0.060 0.000 1.282 284 L HN 0.658 nan 8.230 nan 0.000 0.403 285 F N 4.039 123.855 119.950 -0.223 0.000 2.408 285 F HA 0.772 5.299 4.527 -0.000 0.000 0.344 285 F C -0.013 175.675 175.800 -0.188 0.000 1.112 285 F CA 0.081 57.975 58.000 -0.176 0.000 1.096 285 F CB 1.450 40.346 39.000 -0.173 0.000 1.129 285 F HN 0.652 nan 8.300 nan 0.000 0.486 286 T N 4.969 118.916 114.554 -1.011 0.000 2.876 286 T HA 0.680 5.030 4.350 -0.000 0.000 0.289 286 T C -1.495 172.496 174.700 -1.182 0.000 1.014 286 T CA -0.832 60.709 62.100 -0.933 0.000 0.986 286 T CB 1.781 70.232 68.868 -0.695 0.000 1.021 286 T HN 0.689 nan 8.240 nan 0.000 0.458 287 L N 2.589 123.221 121.223 -0.985 0.000 2.406 287 L HA 0.743 5.083 4.340 -0.000 0.000 0.272 287 L C -1.942 174.503 176.870 -0.709 0.000 0.980 287 L CA -0.875 53.578 54.840 -0.646 0.000 0.831 287 L CB 1.197 43.110 42.059 -0.244 0.000 1.253 287 L HN 0.799 nan 8.230 nan 0.000 0.406 288 F N 4.886 124.776 119.950 -0.101 0.000 2.449 288 F HA 0.607 5.134 4.527 -0.000 0.000 0.342 288 F C -0.215 175.556 175.800 -0.049 0.000 1.127 288 F CA -0.995 56.959 58.000 -0.078 0.000 0.975 288 F CB 1.983 40.932 39.000 -0.085 0.000 1.146 288 F HN 0.065 nan 8.300 nan 0.000 0.444 289 V N 4.656 124.655 119.914 0.141 0.000 2.313 289 V HA 0.492 4.611 4.120 -0.000 0.000 0.278 289 V C -0.298 175.839 176.094 0.071 0.000 1.017 289 V CA -0.700 61.650 62.300 0.083 0.000 0.823 289 V CB 1.318 33.178 31.823 0.061 0.000 1.010 289 V HN 0.739 nan 8.190 nan 0.000 0.443 290 R N 3.306 123.836 120.500 0.050 0.000 2.561 290 R HA 0.714 5.054 4.340 -0.000 0.000 0.297 290 R C -1.694 174.618 176.300 0.019 0.000 0.969 290 R CA -0.353 55.760 56.100 0.021 0.000 0.879 290 R CB 2.188 32.482 30.300 -0.010 0.000 1.178 290 R HN 0.859 nan 8.270 nan 0.000 0.445 291 D N 1.014 121.427 120.400 0.021 0.000 2.653 291 D HA 0.068 4.707 4.640 -0.000 0.000 0.258 291 D C 0.297 176.613 176.300 0.028 0.000 1.252 291 D CA -0.453 53.560 54.000 0.022 0.000 0.777 291 D CB 1.671 42.486 40.800 0.024 0.000 1.339 291 D HN 0.527 nan 8.370 nan 0.000 0.422 292 Q N 0.059 119.874 119.800 0.026 0.000 1.975 292 Q HA -0.048 4.292 4.340 -0.000 0.000 0.205 292 Q C 0.219 176.238 176.000 0.030 0.000 0.990 292 Q CA 1.385 57.205 55.803 0.028 0.000 0.845 292 Q CB -0.219 28.532 28.738 0.020 0.000 0.913 292 Q HN 0.594 nan 8.270 nan 0.000 0.420 293 D N -0.318 120.098 120.400 0.026 0.000 2.210 293 D HA 0.038 4.678 4.640 -0.000 0.000 0.249 293 D C 0.583 176.902 176.300 0.032 0.000 1.062 293 D CA 0.334 54.350 54.000 0.027 0.000 0.891 293 D CB 1.628 42.441 40.800 0.022 0.000 1.186 293 D HN 0.096 nan 8.370 nan 0.000 0.432 294 S N 2.107 117.828 115.700 0.035 0.000 2.383 294 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 294 S C 2.119 176.743 174.600 0.040 0.000 1.030 294 S CA 0.917 59.141 58.200 0.039 0.000 1.002 294 S CB -0.633 62.591 63.200 0.041 0.000 0.829 294 S HN 0.669 nan 8.310 nan 0.000 0.467 295 A N 1.581 124.422 122.820 0.035 0.000 1.908 295 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 295 A C 2.407 180.011 177.584 0.032 0.000 1.181 295 A CA 1.909 53.966 52.037 0.033 0.000 0.627 295 A CB -1.140 17.876 19.000 0.028 0.000 0.818 295 A HN 0.493 nan 8.150 nan 0.000 0.445 296 V N -0.492 119.439 119.914 0.030 0.000 2.667 296 V HA -0.155 3.965 4.120 -0.000 0.000 0.252 296 V C 2.451 178.565 176.094 0.033 0.000 1.065 296 V CA 1.610 63.927 62.300 0.028 0.000 1.083 296 V CB -0.400 31.437 31.823 0.024 0.000 0.692 296 V HN 0.376 nan 8.190 nan 0.000 0.468 297 V N -0.395 119.542 119.914 0.039 0.000 2.379 297 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 297 V C 2.513 178.642 176.094 0.058 0.000 1.044 297 V CA 2.033 64.361 62.300 0.048 0.000 1.036 297 V CB -0.491 31.362 31.823 0.049 0.000 0.664 297 V HN 0.538 nan 8.190 nan 0.000 0.453 298 S N 0.356 116.090 115.700 0.057 0.000 2.348 298 S HA -0.195 4.275 4.470 -0.000 0.000 0.221 298 S C 2.270 176.898 174.600 0.047 0.000 1.033 298 S CA 1.891 60.127 58.200 0.060 0.000 1.010 298 S CB -0.341 62.893 63.200 0.057 0.000 0.891 298 S HN 0.596 nan 8.310 nan 0.000 0.442 299 S N 2.158 117.881 115.700 0.039 0.000 2.356 299 S HA -0.086 4.384 4.470 -0.000 0.000 0.223 299 S C 1.764 176.381 174.600 0.029 0.000 1.032 299 S CA 1.195 59.413 58.200 0.031 0.000 1.005 299 S CB -0.589 62.627 63.200 0.026 0.000 0.867 299 S HN 0.429 nan 8.310 nan 0.000 0.449 300 N N 1.342 120.061 118.700 0.031 0.000 2.166 300 N HA 0.010 4.750 4.740 -0.000 0.000 0.186 300 N C 1.552 177.080 175.510 0.030 0.000 1.019 300 N CA 0.800 53.867 53.050 0.028 0.000 0.856 300 N CB -0.274 38.230 38.487 0.028 0.000 0.993 300 N HN 0.413 nan 8.380 nan 0.000 0.426 301 I N 0.106 120.700 120.570 0.040 0.000 2.480 301 I HA -0.098 4.072 4.170 -0.000 0.000 0.251 301 I C 1.977 178.107 176.117 0.022 0.000 1.124 301 I CA 0.742 62.065 61.300 0.038 0.000 1.444 301 I CB 0.080 38.128 38.000 0.080 0.000 1.098 301 I HN 0.015 nan 8.210 nan 0.000 0.428 302 K N 1.022 121.437 120.400 0.024 0.000 2.147 302 K HA -0.269 4.051 4.320 -0.000 0.000 0.205 302 K C 2.121 178.733 176.600 0.020 0.000 1.049 302 K CA 1.537 57.834 56.287 0.017 0.000 0.936 302 K CB 0.066 32.578 32.500 0.021 0.000 0.722 302 K HN 0.079 nan 8.250 nan 0.000 0.446 303 K N 0.846 121.258 120.400 0.021 0.000 2.031 303 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 303 K C 1.824 178.438 176.600 0.024 0.000 1.049 303 K CA 1.089 57.389 56.287 0.021 0.000 0.939 303 K CB -0.100 32.412 32.500 0.020 0.000 0.717 303 K HN 0.010 nan 8.250 nan 0.000 0.438 304 I N 1.027 121.610 120.570 0.022 0.000 2.127 304 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 304 I C 2.220 178.351 176.117 0.024 0.000 1.075 304 I CA 1.149 62.464 61.300 0.025 0.000 1.334 304 I CB -1.096 36.914 38.000 0.016 0.000 1.040 304 I HN 0.007 nan 8.210 nan 0.000 0.405 305 V N 1.396 121.315 119.914 0.009 0.000 2.392 305 V HA -0.252 3.868 4.120 -0.000 0.000 0.249 305 V C 2.795 178.923 176.094 0.056 0.000 1.059 305 V CA 1.776 64.095 62.300 0.031 0.000 1.051 305 V CB -1.195 30.662 31.823 0.058 0.000 0.658 305 V HN 0.473 nan 8.190 nan 0.000 0.455 306 A N -0.072 122.771 122.820 0.039 0.000 1.897 306 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 306 A C 1.930 179.530 177.584 0.026 0.000 1.181 306 A CA 1.818 53.873 52.037 0.031 0.000 0.620 306 A CB -0.548 18.466 19.000 0.024 0.000 0.821 306 A HN 0.510 nan 8.150 nan 0.000 0.443 307 D N -0.288 120.132 120.400 0.032 0.000 2.269 307 D HA 0.000 4.640 4.640 -0.000 0.000 0.208 307 D C 1.719 178.045 176.300 0.043 0.000 0.963 307 D CA 0.597 54.620 54.000 0.038 0.000 0.864 307 D CB -0.054 40.775 40.800 0.048 0.000 0.936 307 D HN 0.424 nan 8.370 nan 0.000 0.505 308 L N -0.036 121.214 121.223 0.044 0.000 2.307 308 L HA 0.052 4.392 4.340 -0.000 0.000 0.211 308 L C 2.143 178.984 176.870 -0.049 0.000 1.099 308 L CA 0.534 55.395 54.840 0.034 0.000 0.816 308 L CB 0.007 42.115 42.059 0.082 0.000 0.952 308 L HN -0.081 nan 8.230 nan 0.000 0.455 309 K N 0.649 121.039 120.400 -0.016 0.000 2.057 309 K HA -0.167 4.153 4.320 -0.000 0.000 0.206 309 K C 1.409 177.970 176.600 -0.065 0.000 1.050 309 K CA 1.013 57.277 56.287 -0.038 0.000 0.935 309 K CB 0.089 32.591 32.500 0.004 0.000 0.715 309 K HN 0.010 nan 8.250 nan 0.000 0.439 310 K N 1.465 121.842 120.400 -0.039 0.000 3.165 310 K HA 0.076 4.396 4.320 -0.000 0.000 0.259 310 K C -0.169 176.405 176.600 -0.043 0.000 1.282 310 K CA -0.382 55.882 56.287 -0.038 0.000 1.259 310 K CB 0.011 32.502 32.500 -0.015 0.000 1.546 310 K HN 0.102 nan 8.250 nan 0.000 0.384 311 G N 2.329 111.075 108.800 -0.090 0.000 2.707 311 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.231 311 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.231 311 G C -0.497 174.371 174.900 -0.054 0.000 1.246 311 G CA 0.054 45.096 45.100 -0.096 0.000 0.852 311 G HN 0.486 nan 8.290 nan 0.000 0.584 312 K N 0.145 120.532 120.400 -0.022 0.000 2.625 312 K HA 0.417 4.737 4.320 -0.000 0.000 0.284 312 K C -1.057 175.484 176.600 -0.099 0.000 0.984 312 K CA -0.701 55.563 56.287 -0.039 0.000 0.865 312 K CB 1.780 34.274 32.500 -0.011 0.000 1.468 312 K HN 0.500 nan 8.250 nan 0.000 0.407 313 D N 0.239 120.551 120.400 -0.147 0.000 2.348 313 D HA 0.147 4.787 4.640 -0.000 0.000 0.115 313 D C 0.682 176.864 176.300 -0.197 0.000 1.491 313 D CA 0.874 54.699 54.000 -0.292 0.000 1.321 313 D CB 0.412 41.059 40.800 -0.256 0.000 2.433 313 D HN 0.563 nan 8.370 nan 0.000 0.244 314 L N 1.172 122.326 121.223 -0.116 0.000 4.884 314 L HA -0.298 4.042 4.340 -0.000 0.000 0.430 314 L C 0.215 177.050 176.870 -0.060 0.000 1.087 314 L CA 0.775 55.574 54.840 -0.068 0.000 1.033 314 L CB -2.325 39.706 42.059 -0.046 0.000 2.030 314 L HN 0.399 nan 8.230 nan 0.000 0.762 315 S N -3.569 112.077 115.700 -0.089 0.000 3.631 315 S HA -0.148 4.322 4.470 -0.000 0.000 0.366 315 S C -0.950 173.644 174.600 -0.010 0.000 0.993 315 S CA 0.620 58.789 58.200 -0.052 0.000 1.167 315 S CB -1.612 61.576 63.200 -0.020 0.000 0.909 315 S HN 0.486 nan 8.310 nan 0.000 0.478 316 P HA 0.305 nan 4.420 nan 0.000 0.224 316 P C 1.228 178.570 177.300 0.071 0.000 1.157 316 P CA 1.136 64.255 63.100 0.031 0.000 0.799 316 P CB -0.089 31.634 31.700 0.039 0.000 0.809 317 A N -0.916 121.964 122.820 0.100 0.000 2.359 317 A HA 0.100 4.420 4.320 -0.000 0.000 0.240 317 A C 1.662 179.355 177.584 0.181 0.000 1.306 317 A CA -0.094 52.055 52.037 0.186 0.000 0.898 317 A CB -1.422 17.747 19.000 0.281 0.000 0.956 317 A HN 0.074 nan 8.150 nan 0.000 0.497 318 I N 0.140 120.782 120.570 0.119 0.000 2.315 318 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 318 I C 1.529 177.702 176.117 0.093 0.000 1.117 318 I CA 1.628 62.995 61.300 0.112 0.000 1.404 318 I CB -0.184 37.864 38.000 0.079 0.000 1.071 318 I HN 0.344 nan 8.210 nan 0.000 0.419 319 N N -1.011 117.746 118.700 0.095 0.000 2.416 319 N HA -0.153 4.587 4.740 -0.000 0.000 0.177 319 N C 1.751 177.325 175.510 0.106 0.000 1.036 319 N CA 0.929 54.022 53.050 0.072 0.000 0.901 319 N CB -0.244 38.284 38.487 0.068 0.000 0.976 319 N HN 0.515 nan 8.380 nan 0.000 0.444 320 Y N 1.366 121.678 120.300 0.019 0.000 2.201 320 Y HA -0.089 4.461 4.550 -0.000 0.000 0.292 320 Y C 2.676 178.587 175.900 0.019 0.000 1.119 320 Y CA 1.189 59.302 58.100 0.022 0.000 1.127 320 Y CB -0.255 38.233 38.460 0.046 0.000 1.019 320 Y HN -0.090 nan 8.280 nan 0.000 0.514 321 T N 0.022 114.619 114.554 0.071 0.000 2.977 321 T HA -0.175 4.175 4.350 -0.000 0.000 0.271 321 T C 1.802 176.420 174.700 -0.138 0.000 1.105 321 T CA 1.609 63.711 62.100 0.004 0.000 1.116 321 T CB -0.298 68.689 68.868 0.198 0.000 0.878 321 T HN 0.349 nan 8.240 nan 0.000 0.509 322 K N -0.131 120.168 120.400 -0.168 0.000 2.211 322 K HA 0.145 4.465 4.320 -0.000 0.000 0.201 322 K C 2.127 178.592 176.600 -0.226 0.000 1.052 322 K CA 0.279 56.390 56.287 -0.293 0.000 0.973 322 K CB -0.132 32.240 32.500 -0.213 0.000 0.766 322 K HN 0.276 nan 8.250 nan 0.000 0.466 323 L N 1.141 122.257 121.223 -0.178 0.000 2.095 323 L HA -0.057 4.283 4.340 -0.000 0.000 0.204 323 L C 1.743 178.487 176.870 -0.210 0.000 1.080 323 L CA 1.806 56.550 54.840 -0.161 0.000 0.759 323 L CB -0.406 41.590 42.059 -0.106 0.000 0.914 323 L HN 0.032 nan 8.230 nan 0.000 0.439 324 K N 0.457 120.664 120.400 -0.321 0.000 2.288 324 K HA -0.076 4.244 4.320 -0.000 0.000 0.201 324 K C 1.726 178.215 176.600 -0.184 0.000 1.048 324 K CA 0.827 56.933 56.287 -0.301 0.000 0.956 324 K CB -0.210 32.011 32.500 -0.464 0.000 0.746 324 K HN 0.367 nan 8.250 nan 0.000 0.461 325 N N -0.818 117.772 118.700 -0.183 0.000 2.322 325 N HA 0.042 4.782 4.740 -0.000 0.000 0.194 325 N C 0.397 175.825 175.510 -0.136 0.000 1.126 325 N CA 0.385 53.351 53.050 -0.140 0.000 0.845 325 N CB 0.408 38.787 38.487 -0.180 0.000 0.976 325 N HN 0.185 nan 8.380 nan 0.000 0.475 326 A N -0.156 122.583 122.820 -0.135 0.000 2.259 326 A HA 0.071 4.391 4.320 -0.000 0.000 0.213 326 A C 1.777 179.313 177.584 -0.081 0.000 1.209 326 A CA -0.036 51.937 52.037 -0.107 0.000 0.910 326 A CB -0.103 18.831 19.000 -0.110 0.000 0.946 326 A HN 0.180 nan 8.150 nan 0.000 0.497 327 V N -1.784 118.080 119.914 -0.084 0.000 3.444 327 V HA -0.017 4.103 4.120 -0.000 0.000 0.271 327 V C 0.493 176.555 176.094 -0.054 0.000 1.188 327 V CA 0.808 63.069 62.300 -0.065 0.000 1.168 327 V CB -1.290 30.493 31.823 -0.068 0.000 0.810 327 V HN 0.539 nan 8.190 nan 0.000 0.500 328 Q N 1.518 121.286 119.800 -0.054 0.000 2.810 328 Q HA 0.347 4.687 4.340 -0.000 0.000 0.236 328 Q C 0.451 176.427 176.000 -0.040 0.000 1.278 328 Q CA -0.231 55.546 55.803 -0.044 0.000 1.065 328 Q CB 0.110 28.824 28.738 -0.040 0.000 1.364 328 Q HN 0.544 nan 8.270 nan 0.000 0.570 329 N N 1.407 120.083 118.700 -0.039 0.000 2.550 329 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 329 N C 1.033 176.523 175.510 -0.032 0.000 1.110 329 N CA 0.863 53.892 53.050 -0.035 0.000 0.912 329 N CB 0.479 38.945 38.487 -0.036 0.000 0.968 329 N HN 0.591 nan 8.380 nan 0.000 0.448 330 E N -0.208 119.971 120.200 -0.034 0.000 2.385 330 E HA 0.042 4.392 4.350 -0.000 0.000 0.194 330 E C 0.755 177.335 176.600 -0.032 0.000 1.013 330 E CA 0.389 56.769 56.400 -0.034 0.000 0.866 330 E CB 0.027 29.704 29.700 -0.037 0.000 0.832 330 E HN -0.110 nan 8.360 nan 0.000 0.500 331 S N 0.758 116.440 115.700 -0.030 0.000 2.460 331 S HA 0.231 4.701 4.470 -0.000 0.000 0.211 331 S C -0.178 174.415 174.600 -0.011 0.000 1.312 331 S CA -0.665 57.521 58.200 -0.024 0.000 1.256 331 S CB -0.073 63.112 63.200 -0.025 0.000 1.086 331 S HN 0.144 nan 8.310 nan 0.000 0.507 332 V N 3.417 123.326 119.914 -0.009 0.000 2.248 332 V HA 0.225 4.345 4.120 -0.000 0.000 0.309 332 V C 0.827 176.927 176.094 0.011 0.000 1.722 332 V CA 0.387 62.685 62.300 -0.003 0.000 1.693 332 V CB -0.804 31.015 31.823 -0.007 0.000 1.470 332 V HN 0.802 nan 8.190 nan 0.000 0.518 333 S N -1.565 114.147 115.700 0.019 0.000 3.041 333 S HA 0.090 4.560 4.470 -0.000 0.000 0.244 333 S C 0.389 175.019 174.600 0.050 0.000 0.837 333 S CA 0.022 58.245 58.200 0.037 0.000 1.206 333 S CB -0.170 63.056 63.200 0.044 0.000 1.218 333 S HN 0.594 nan 8.310 nan 0.000 0.591 334 S N 2.053 117.778 115.700 0.042 0.000 2.573 334 S HA 0.470 4.940 4.470 -0.000 0.000 0.277 334 S C -1.189 173.457 174.600 0.076 0.000 1.346 334 S CA -0.397 57.837 58.200 0.057 0.000 1.034 334 S CB -0.335 62.894 63.200 0.048 0.000 0.879 334 S HN 0.212 nan 8.310 nan 0.000 0.528 335 P HA 0.119 nan 4.420 nan 0.000 0.214 335 P C -0.293 177.072 177.300 0.108 0.000 1.206 335 P CA 0.171 63.330 63.100 0.099 0.000 0.715 335 P CB -0.134 31.628 31.700 0.103 0.000 0.633 336 I N -0.215 120.432 120.570 0.129 0.000 2.428 336 I HA 0.115 4.285 4.170 -0.000 0.000 0.289 336 I C 1.471 177.740 176.117 0.254 0.000 1.019 336 I CA 0.483 61.872 61.300 0.150 0.000 1.351 336 I CB 0.456 38.527 38.000 0.119 0.000 1.412 336 I HN 0.208 nan 8.210 nan 0.000 0.513 337 E N 3.709 124.027 120.200 0.196 0.000 2.256 337 E HA 0.117 4.467 4.350 -0.000 0.000 0.198 337 E C 1.332 178.049 176.600 0.195 0.000 0.908 337 E CA 0.489 56.979 56.400 0.151 0.000 0.915 337 E CB 0.406 30.122 29.700 0.026 0.000 0.890 337 E HN 0.499 nan 8.360 nan 0.000 0.484 338 L N 2.277 123.601 121.223 0.170 0.000 2.611 338 L HA 0.119 4.459 4.340 -0.000 0.000 0.229 338 L C 1.625 178.610 176.870 0.191 0.000 1.137 338 L CA 0.458 55.389 54.840 0.153 0.000 0.901 338 L CB -0.805 41.304 42.059 0.082 0.000 1.098 338 L HN 0.178 nan 8.230 nan 0.000 0.456 339 N N -0.460 118.385 118.700 0.243 0.000 2.457 339 N HA -0.138 4.602 4.740 -0.000 0.000 0.180 339 N C 1.671 177.228 175.510 0.077 0.000 1.050 339 N CA 0.584 53.700 53.050 0.109 0.000 0.906 339 N CB 0.234 38.734 38.487 0.022 0.000 0.968 339 N HN 0.166 nan 8.380 nan 0.000 0.445 340 F N 1.395 121.350 119.950 0.008 0.000 2.134 340 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 340 F C 0.778 176.578 175.800 -0.001 0.000 1.097 340 F CA 0.816 58.817 58.000 0.002 0.000 1.264 340 F CB -0.550 38.451 39.000 0.002 0.000 1.001 340 F HN -0.081 nan 8.300 nan 0.000 0.479 341 D N 0.070 120.596 120.400 0.211 0.000 2.745 341 D HA 0.385 5.024 4.640 -0.000 0.000 0.229 341 D C 0.580 176.921 176.300 0.068 0.000 1.088 341 D CA 0.447 54.513 54.000 0.110 0.000 1.054 341 D CB -0.042 40.809 40.800 0.085 0.000 1.132 341 D HN 0.283 nan 8.370 nan 0.000 0.464 342 A N -0.260 122.588 122.820 0.047 0.000 1.508 342 A HA 0.253 4.573 4.320 -0.000 0.000 0.143 342 A C 0.131 177.716 177.584 0.001 0.000 1.532 342 A CA -0.186 51.863 52.037 0.020 0.000 2.572 342 A CB -0.080 18.929 19.000 0.014 0.000 2.693 342 A HN 0.238 nan 8.150 nan 0.000 1.315 343 V N 0.343 120.245 119.914 -0.019 0.000 2.872 343 V HA 0.444 4.564 4.120 -0.000 0.000 0.307 343 V C 0.276 176.346 176.094 -0.039 0.000 1.072 343 V CA 1.030 63.310 62.300 -0.034 0.000 1.148 343 V CB 0.503 32.294 31.823 -0.053 0.000 0.954 343 V HN 0.909 nan 8.190 nan 0.000 0.490 344 K N -0.259 120.117 120.400 -0.040 0.000 2.553 344 K HA 0.474 4.794 4.320 -0.000 0.000 0.205 344 K C -0.575 175.989 176.600 -0.061 0.000 1.168 344 K CA -0.425 55.833 56.287 -0.050 0.000 1.043 344 K CB 0.520 32.999 32.500 -0.034 0.000 0.967 344 K HN 0.690 nan 8.250 nan 0.000 0.585 345 D N 0.637 121.009 120.400 -0.046 0.000 2.575 345 D HA 0.467 5.107 4.640 -0.000 0.000 0.236 345 D C -2.013 174.299 176.300 0.020 0.000 1.075 345 D CA -0.437 53.542 54.000 -0.034 0.000 0.860 345 D CB 1.934 42.709 40.800 -0.041 0.000 1.475 345 D HN 0.137 nan 8.370 nan 0.000 0.474 346 F N 1.861 121.701 119.950 -0.182 0.000 2.591 346 F HA 0.437 4.963 4.527 -0.000 0.000 0.309 346 F C -0.459 175.246 175.800 -0.158 0.000 1.098 346 F CA -0.744 57.125 58.000 -0.218 0.000 0.937 346 F CB 1.285 40.102 39.000 -0.306 0.000 1.250 346 F HN 0.197 nan 8.300 nan 0.000 0.447 347 K N 3.687 123.435 120.400 -1.086 0.000 2.367 347 K HA 0.676 4.996 4.320 -0.000 0.000 0.260 347 K C -1.824 174.055 176.600 -1.201 0.000 0.980 347 K CA -0.458 55.337 56.287 -0.819 0.000 1.412 347 K CB 0.424 32.668 32.500 -0.427 0.000 2.934 347 K HN 0.707 nan 8.250 nan 0.000 0.985 348 L N 0.688 121.553 121.223 -0.595 0.000 3.007 348 L HA 0.346 4.686 4.340 -0.000 0.000 0.237 348 L C -0.265 176.571 176.870 -0.057 0.000 0.965 348 L CA 0.176 54.844 54.840 -0.288 0.000 1.116 348 L CB 1.038 43.033 42.059 -0.107 0.000 1.491 348 L HN 0.864 nan 8.230 nan 0.000 0.565 349 G N 2.199 110.994 108.800 -0.009 0.000 2.803 349 G HA2 0.218 4.178 3.960 -0.000 0.000 0.177 349 G HA3 0.218 4.178 3.960 -0.000 0.000 0.177 349 G C -0.404 174.502 174.900 0.010 0.000 1.629 349 G CA -0.571 44.531 45.100 0.003 0.000 1.077 349 G HN 0.472 nan 8.290 nan 0.000 0.556 350 K N 0.110 120.490 120.400 -0.033 0.000 2.218 350 K HA 0.444 4.764 4.320 -0.000 0.000 0.276 350 K C -0.762 175.819 176.600 -0.031 0.000 1.022 350 K CA -0.052 56.143 56.287 -0.154 0.000 0.946 350 K CB 0.960 33.398 32.500 -0.104 0.000 1.000 350 K HN 0.390 nan 8.250 nan 0.000 0.468 351 F N -0.917 119.060 119.950 0.046 0.000 2.849 351 F HA 0.521 5.048 4.527 -0.000 0.000 0.341 351 F C -0.705 175.127 175.800 0.054 0.000 1.185 351 F CA -1.368 56.661 58.000 0.048 0.000 1.007 351 F CB 0.814 39.861 39.000 0.078 0.000 1.454 351 F HN 0.215 nan 8.300 nan 0.000 0.518 352 N N -0.298 118.686 118.700 0.473 0.000 2.269 352 N HA 0.296 5.036 4.740 -0.000 0.000 0.304 352 N C -2.212 173.543 175.510 0.408 0.000 1.072 352 N CA -0.323 52.916 53.050 0.315 0.000 0.802 352 N CB 2.575 41.128 38.487 0.110 0.000 1.348 352 N HN 0.771 nan 8.380 nan 0.000 0.484 353 Y N 1.164 121.587 120.300 0.205 0.000 2.446 353 Y HA 0.554 5.104 4.550 -0.000 0.000 0.345 353 Y C -0.876 175.059 175.900 0.058 0.000 0.984 353 Y CA -0.845 57.341 58.100 0.143 0.000 1.058 353 Y CB 1.247 39.839 38.460 0.219 0.000 1.220 353 Y HN 0.269 nan 8.280 nan 0.000 0.455 354 V N 2.231 121.729 119.914 -0.693 0.000 2.668 354 V HA 0.950 5.070 4.120 -0.000 0.000 0.304 354 V C -0.980 174.648 176.094 -0.777 0.000 1.071 354 V CA -0.754 61.198 62.300 -0.579 0.000 0.894 354 V CB 0.948 32.628 31.823 -0.239 0.000 1.008 354 V HN 1.144 nan 8.190 nan 0.000 0.425 355 A N 4.336 126.793 122.820 -0.606 0.000 2.276 355 A HA 0.899 5.219 4.320 -0.000 0.000 0.316 355 A C -0.551 176.916 177.584 -0.195 0.000 1.229 355 A CA -0.644 51.167 52.037 -0.376 0.000 0.851 355 A CB 1.365 20.214 19.000 -0.252 0.000 1.165 355 A HN 1.442 nan 8.150 nan 0.000 0.513 356 V N 2.626 122.457 119.914 -0.140 0.000 2.525 356 V HA 0.810 4.930 4.120 -0.000 0.000 0.299 356 V C 0.721 176.801 176.094 -0.024 0.000 1.034 356 V CA 0.653 62.895 62.300 -0.097 0.000 0.863 356 V CB 0.794 32.510 31.823 -0.180 0.000 0.999 356 V HN 1.989 nan 8.190 nan 0.000 0.423 357 G N 4.530 113.377 108.800 0.078 0.000 2.390 357 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.202 357 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.202 357 G C -0.436 174.522 174.900 0.098 0.000 1.210 357 G CA -0.019 45.177 45.100 0.160 0.000 1.271 357 G HN 0.654 nan 8.290 nan 0.000 0.543 358 D N 1.694 122.136 120.400 0.070 0.000 2.671 358 D HA 0.388 5.028 4.640 -0.000 0.000 0.228 358 D C 1.938 178.258 176.300 0.035 0.000 1.102 358 D CA 0.543 54.571 54.000 0.047 0.000 1.044 358 D CB 0.352 41.177 40.800 0.043 0.000 1.113 358 D HN 0.271 nan 8.370 nan 0.000 0.480 359 V N 1.622 121.552 119.914 0.027 0.000 2.282 359 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 359 V C 2.396 178.498 176.094 0.014 0.000 1.057 359 V CA 1.911 64.211 62.300 0.000 0.000 1.032 359 V CB -0.432 31.390 31.823 -0.001 0.000 0.645 359 V HN 0.458 nan 8.190 nan 0.000 0.447 360 S N -0.528 115.199 115.700 0.045 0.000 2.537 360 S HA -0.055 4.415 4.470 -0.000 0.000 0.240 360 S C 1.175 175.822 174.600 0.079 0.000 0.981 360 S CA 0.755 58.999 58.200 0.074 0.000 0.948 360 S CB -0.441 62.798 63.200 0.064 0.000 0.759 360 S HN 0.701 nan 8.310 nan 0.000 0.531 361 N N 0.789 119.525 118.700 0.060 0.000 2.433 361 N HA 0.220 4.960 4.740 -0.000 0.000 0.270 361 N C -1.488 174.058 175.510 0.060 0.000 1.354 361 N CA -0.132 52.956 53.050 0.062 0.000 0.889 361 N CB 0.909 39.425 38.487 0.049 0.000 1.285 361 N HN 0.194 nan 8.380 nan 0.000 0.503 362 L N 1.056 122.310 121.223 0.052 0.000 2.370 362 L HA 0.597 4.937 4.340 -0.000 0.000 0.266 362 L C -2.207 174.695 176.870 0.053 0.000 1.002 362 L CA -1.973 52.897 54.840 0.050 0.000 0.818 362 L CB 1.842 43.915 42.059 0.024 0.000 1.325 362 L HN -0.096 nan 8.230 nan 0.000 0.418 363 P HA 0.148 nan 4.420 nan 0.000 0.270 363 P C -1.351 175.965 177.300 0.027 0.000 1.227 363 P CA 0.212 63.366 63.100 0.090 0.000 0.788 363 P CB 0.346 32.062 31.700 0.026 0.000 0.926 364 Y N -0.526 119.765 120.300 -0.016 0.000 2.654 364 Y HA 0.261 4.811 4.550 -0.000 0.000 0.327 364 Y C 1.339 177.109 175.900 -0.216 0.000 1.122 364 Y CA -0.697 57.402 58.100 -0.001 0.000 1.227 364 Y CB 0.570 39.050 38.460 0.033 0.000 1.370 364 Y HN 0.116 nan 8.280 nan 0.000 0.528 365 L N 0.927 122.191 121.223 0.069 0.000 2.275 365 L HA -0.118 4.222 4.340 -0.000 0.000 0.215 365 L C 1.071 177.927 176.870 -0.023 0.000 1.119 365 L CA 1.716 56.530 54.840 -0.043 0.000 0.790 365 L CB -0.760 41.345 42.059 0.076 0.000 0.919 365 L HN 0.657 nan 8.230 nan 0.000 0.443 366 D N 0.189 120.613 120.400 0.039 0.000 2.077 366 D HA -0.214 4.425 4.640 -0.000 0.000 0.197 366 D C 1.752 178.050 176.300 -0.002 0.000 0.983 366 D CA 1.792 55.797 54.000 0.007 0.000 0.841 366 D CB -0.436 40.364 40.800 -0.000 0.000 0.992 366 D HN 0.606 nan 8.370 nan 0.000 0.450 367 E N 0.583 120.794 120.200 0.017 0.000 2.533 367 E HA -0.054 4.296 4.350 -0.000 0.000 0.203 367 E C 0.589 177.189 176.600 -0.001 0.000 1.101 367 E CA 0.169 56.577 56.400 0.013 0.000 0.894 367 E CB -0.235 29.487 29.700 0.036 0.000 0.843 367 E HN 0.288 nan 8.360 nan 0.000 0.552 368 L N 0.000 121.214 121.223 -0.016 0.000 2.949 368 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 368 L CA 0.000 54.844 54.840 0.007 0.000 0.813 368 L CB 0.000 42.061 42.059 0.004 0.000 0.961 368 L HN 0.000 nan 8.230 nan 0.000 0.502