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 2vvl_1_C DATA FIRST_RESID 2 DATA SEQUENCE TSRDGYQWTP ETGLTQGVPS LGVISPPTNI EXXXXXXPWD VIVIGGGYCG DATA SEQUENCE LTATRDLTVA GFKTLLLEAR DRIGGRSWSS NIDGYPYEMG GTWVHWHQSH DATA SEQUENCE VWREITRYKM HNALSPSFNF SRGVNHFQLR TNPTTSTYMT HEAEDELLRS DATA SEQUENCE ALHKFTNVDG TNGRTVLPFP HDMFYVPEFR KYDEMSYSER IDQIRDELSL DATA SEQUENCE NERSSLEAFI LLCSGGTLEN SSFGEFLHWW AMSGYTYQGC MDCLMSYKFK DATA SEQUENCE DGQSAFARRF WEEAAGTGRL GYVFGCPVRS VVNERDAARV TARDGREFVA DATA SEQUENCE KRVVCTIPLN VLSTIQFSPA LSTERISAMQ AGHVSMCTKV HAEVDNKDMR DATA SEQUENCE SWTGIAYPFN KLCYAIGDGT TPAGNTHLVC FGTDANHIQP DEDVRETLKA DATA SEQUENCE VGQLAPGTFG VKRLVFHNWV KDEFAKGAWF FSRPGMVSEC LQGLREKHGG DATA SEQUENCE VVFANSDWAL GWRSFIDGAI EEGTRAARVV LEE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.654 174.700 -0.077 0.000 1.109 2 T CA 0.000 62.072 62.100 -0.046 0.000 1.349 2 T CB 0.000 68.845 68.868 -0.039 0.000 0.612 3 S N -0.682 114.971 115.700 -0.080 0.000 2.632 3 S HA 0.441 4.910 4.470 -0.001 0.000 0.267 3 S C 1.336 175.870 174.600 -0.110 0.000 1.276 3 S CA -0.717 57.395 58.200 -0.147 0.000 0.998 3 S CB 0.819 63.860 63.200 -0.265 0.000 0.953 3 S HN 0.723 nan 8.310 nan 0.000 0.547 4 R N 0.576 120.994 120.500 -0.137 0.000 2.127 4 R HA 0.074 4.413 4.340 -0.001 0.000 0.217 4 R C -0.178 176.050 176.300 -0.120 0.000 1.074 4 R CA 0.396 56.427 56.100 -0.114 0.000 0.991 4 R CB -0.243 30.004 30.300 -0.088 0.000 0.895 4 R HN 0.612 nan 8.270 nan 0.000 0.450 5 D N 0.399 120.704 120.400 -0.158 0.000 2.400 5 D HA 0.222 4.861 4.640 -0.001 0.000 0.238 5 D C 0.715 177.117 176.300 0.169 0.000 1.157 5 D CA 1.384 55.341 54.000 -0.072 0.000 0.889 5 D CB 0.605 41.074 40.800 -0.551 0.000 1.199 5 D HN 0.344 nan 8.370 nan 0.000 0.436 6 G N -0.054 108.995 108.800 0.415 0.000 2.730 6 G HA2 -0.099 3.860 3.960 -0.001 0.000 0.686 6 G HA3 -0.099 3.860 3.960 -0.001 0.000 0.686 6 G C -1.538 173.251 174.900 -0.186 0.000 1.343 6 G CA -0.824 44.446 45.100 0.283 0.000 0.826 6 G HN 0.350 nan 8.290 nan 0.000 0.582 7 Y N -0.177 119.990 120.300 -0.221 0.000 2.512 7 Y HA 0.734 5.283 4.550 -0.001 0.000 0.348 7 Y C 0.398 175.999 175.900 -0.497 0.000 0.990 7 Y CA -0.638 57.207 58.100 -0.425 0.000 1.033 7 Y CB 2.503 40.486 38.460 -0.796 0.000 1.259 7 Y HN 0.826 nan 8.280 nan 0.000 0.461 8 Q N 1.703 121.419 119.800 -0.141 0.000 2.394 8 Q HA 0.460 4.799 4.340 -0.001 0.000 0.273 8 Q C -2.124 173.906 176.000 0.051 0.000 1.089 8 Q CA -0.859 54.870 55.803 -0.122 0.000 0.812 8 Q CB 2.450 31.115 28.738 -0.121 0.000 1.353 8 Q HN 0.772 nan 8.270 nan 0.000 0.438 9 W N 3.104 124.353 121.300 -0.085 0.000 2.957 9 W HA 0.582 5.241 4.660 -0.001 0.000 0.336 9 W C -1.447 175.073 176.519 0.001 0.000 1.087 9 W CA -0.308 57.034 57.345 -0.004 0.000 1.235 9 W CB 1.843 31.342 29.460 0.065 0.000 1.399 9 W HN 0.691 nan 8.180 nan 0.000 0.480 10 T N 2.193 116.184 114.554 -0.938 0.000 2.883 10 T HA 0.481 4.830 4.350 -0.001 0.000 0.296 10 T C -2.528 171.183 174.700 -1.648 0.000 1.117 10 T CA -1.842 59.630 62.100 -1.047 0.000 1.006 10 T CB 2.186 70.779 68.868 -0.457 0.000 1.191 10 T HN 0.154 nan 8.240 nan 0.000 0.508 11 P HA -0.009 nan 4.420 nan 0.000 0.218 11 P C 1.037 178.116 177.300 -0.369 0.000 1.149 11 P CA 0.999 63.739 63.100 -0.600 0.000 0.817 11 P CB 0.132 31.701 31.700 -0.218 0.000 0.785 12 E N -0.954 119.051 120.200 -0.326 0.000 2.047 12 E HA -0.107 4.242 4.350 -0.001 0.000 0.191 12 E C 1.845 178.328 176.600 -0.195 0.000 0.987 12 E CA 2.005 58.284 56.400 -0.201 0.000 0.799 12 E CB -1.094 28.512 29.700 -0.155 0.000 0.752 12 E HN 0.345 nan 8.360 nan 0.000 0.449 13 T N -3.185 111.213 114.554 -0.261 0.000 3.023 13 T HA 0.436 4.785 4.350 -0.001 0.000 0.253 13 T C 1.239 175.834 174.700 -0.175 0.000 1.038 13 T CA 0.171 62.162 62.100 -0.182 0.000 0.962 13 T CB 0.155 68.935 68.868 -0.147 0.000 1.018 13 T HN 0.279 nan 8.240 nan 0.000 0.521 14 G N 1.958 110.571 108.800 -0.313 0.000 2.582 14 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.288 14 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.288 14 G C -0.459 174.381 174.900 -0.100 0.000 1.247 14 G CA 0.060 45.028 45.100 -0.220 0.000 0.972 14 G HN 0.910 nan 8.290 nan 0.000 0.557 15 L N 1.920 123.259 121.223 0.194 0.000 2.272 15 L HA 0.723 5.063 4.340 -0.001 0.000 0.289 15 L C 0.877 177.846 176.870 0.165 0.000 1.032 15 L CA 0.575 55.585 54.840 0.282 0.000 0.810 15 L CB 1.310 43.591 42.059 0.371 0.000 1.205 15 L HN 1.213 nan 8.230 nan 0.000 0.422 16 T N 1.612 116.236 114.554 0.116 0.000 2.908 16 T HA 0.524 4.873 4.350 -0.001 0.000 0.290 16 T C -0.497 174.214 174.700 0.018 0.000 1.034 16 T CA -0.763 61.370 62.100 0.054 0.000 1.010 16 T CB 1.552 70.415 68.868 -0.009 0.000 1.068 16 T HN 0.676 nan 8.240 nan 0.000 0.481 17 Q N 0.499 120.257 119.800 -0.070 0.000 2.241 17 Q HA 0.541 4.881 4.340 -0.001 0.000 0.254 17 Q C 0.097 175.975 176.000 -0.203 0.000 0.917 17 Q CA 0.172 55.795 55.803 -0.301 0.000 0.919 17 Q CB 0.632 29.199 28.738 -0.285 0.000 1.237 17 Q HN 1.453 nan 8.270 nan 0.000 0.434 18 G N 1.140 109.805 108.800 -0.225 0.000 3.338 18 G HA2 0.049 4.008 3.960 -0.001 0.000 0.686 18 G HA3 0.049 4.008 3.960 -0.001 0.000 0.686 18 G C -1.022 173.843 174.900 -0.057 0.000 1.053 18 G CA -0.393 44.640 45.100 -0.111 0.000 0.852 18 G HN 1.189 nan 8.290 nan 0.000 0.545 19 V N 0.549 120.470 119.914 0.013 0.000 2.962 19 V HA 0.993 5.112 4.120 -0.001 0.000 0.313 19 V C -2.305 173.836 176.094 0.079 0.000 1.099 19 V CA -2.582 59.741 62.300 0.038 0.000 0.971 19 V CB 2.365 34.213 31.823 0.041 0.000 1.028 19 V HN 0.705 nan 8.190 nan 0.000 0.430 20 P HA 0.319 nan 4.420 nan 0.000 0.269 20 P C -0.438 176.929 177.300 0.111 0.000 1.215 20 P CA 0.342 63.468 63.100 0.044 0.000 0.780 20 P CB 1.111 32.823 31.700 0.021 0.000 0.898 21 S N 1.410 117.154 115.700 0.073 0.000 2.562 21 S HA 0.253 4.722 4.470 -0.001 0.000 0.274 21 S C 0.786 175.384 174.600 -0.005 0.000 1.160 21 S CA -0.671 57.595 58.200 0.109 0.000 0.933 21 S CB 0.453 63.807 63.200 0.256 0.000 1.100 21 S HN 0.248 nan 8.310 nan 0.000 0.468 22 L N 3.825 125.042 121.223 -0.011 0.000 2.450 22 L HA 0.075 4.414 4.340 -0.001 0.000 0.224 22 L C 2.439 179.230 176.870 -0.131 0.000 1.149 22 L CA 1.352 56.153 54.840 -0.065 0.000 0.816 22 L CB -0.421 41.609 42.059 -0.048 0.000 0.932 22 L HN 0.886 nan 8.230 nan 0.000 0.449 23 G N -0.505 108.223 108.800 -0.120 0.000 2.534 23 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.217 23 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.217 23 G C 0.763 175.422 174.900 -0.402 0.000 1.128 23 G CA 0.206 45.164 45.100 -0.237 0.000 0.784 23 G HN 0.173 nan 8.290 nan 0.000 0.542 24 V N 2.283 121.990 119.914 -0.344 0.000 2.521 24 V HA 0.330 4.449 4.120 -0.001 0.000 0.286 24 V C -0.254 175.532 176.094 -0.514 0.000 1.034 24 V CA -0.966 61.075 62.300 -0.430 0.000 1.045 24 V CB 0.534 32.179 31.823 -0.297 0.000 0.974 24 V HN 0.068 nan 8.190 nan 0.000 0.480 25 I N 6.418 126.521 120.570 -0.779 0.000 2.312 25 I HA 0.412 4.581 4.170 -0.001 0.000 0.291 25 I C 0.350 176.224 176.117 -0.405 0.000 1.031 25 I CA 0.446 61.278 61.300 -0.780 0.000 1.293 25 I CB 0.570 37.696 38.000 -1.457 0.000 1.403 25 I HN 0.726 nan 8.210 nan 0.000 0.484 26 S N 7.666 123.247 115.700 -0.197 0.000 2.571 26 S HA 0.676 5.146 4.470 -0.001 0.000 0.284 26 S C -2.201 172.416 174.600 0.029 0.000 1.128 26 S CA -0.851 57.311 58.200 -0.064 0.000 0.970 26 S CB 1.493 64.647 63.200 -0.077 0.000 1.039 26 S HN 0.512 nan 8.310 nan 0.000 0.485 27 P HA 0.308 nan 4.420 nan 0.000 0.272 27 P C -2.259 175.139 177.300 0.164 0.000 1.223 27 P CA -1.153 62.001 63.100 0.090 0.000 0.784 27 P CB 0.148 31.901 31.700 0.090 0.000 0.923 28 P HA -0.049 nan 4.420 nan 0.000 0.231 28 P C 0.394 177.914 177.300 0.366 0.000 1.158 28 P CA 1.085 64.308 63.100 0.205 0.000 0.763 28 P CB 0.388 32.160 31.700 0.121 0.000 0.805 29 T N 0.134 114.798 114.554 0.184 0.000 2.885 29 T HA 0.331 4.680 4.350 -0.001 0.000 0.322 29 T C -0.330 174.161 174.700 -0.347 0.000 1.387 29 T CA -0.678 61.359 62.100 -0.105 0.000 1.041 29 T CB 0.888 69.739 68.868 -0.028 0.000 1.287 29 T HN -0.037 nan 8.240 nan 0.000 0.491 30 N N 2.890 121.189 118.700 -0.667 0.000 2.197 30 N HA 0.190 4.929 4.740 -0.001 0.000 0.228 30 N C 0.469 175.880 175.510 -0.165 0.000 1.212 30 N CA -0.335 52.480 53.050 -0.390 0.000 0.883 30 N CB -0.127 38.070 38.487 -0.483 0.000 1.107 30 N HN 0.808 nan 8.380 nan 0.000 0.519 31 I N -2.239 118.267 120.570 -0.108 0.000 3.474 31 I HA 0.513 4.682 4.170 -0.001 0.000 0.294 31 I C -0.241 175.913 176.117 0.063 0.000 1.185 31 I CA -0.723 60.605 61.300 0.047 0.000 1.003 31 I CB 0.939 39.039 38.000 0.167 0.000 1.327 31 I HN -0.150 nan 8.210 nan 0.000 0.541 40 W N 0.592 121.928 121.300 0.059 0.000 2.656 40 W HA 0.371 5.030 4.660 -0.001 0.000 0.327 40 W C 0.765 177.323 176.519 0.064 0.000 1.041 40 W CA -0.440 56.942 57.345 0.063 0.000 1.229 40 W CB 1.699 31.196 29.460 0.062 0.000 1.397 40 W HN 0.247 nan 8.180 nan 0.000 0.479 41 D N 1.111 121.694 120.400 0.305 0.000 2.097 41 D HA -0.044 4.596 4.640 -0.001 0.000 0.197 41 D C 0.222 176.612 176.300 0.151 0.000 0.984 41 D CA 1.401 55.537 54.000 0.227 0.000 0.826 41 D CB 0.145 41.140 40.800 0.326 0.000 0.973 41 D HN 0.013 nan 8.370 nan 0.000 0.460 42 V N 0.883 120.896 119.914 0.166 0.000 2.686 42 V HA 0.359 4.478 4.120 -0.001 0.000 0.306 42 V C -0.282 175.831 176.094 0.031 0.000 1.065 42 V CA -0.777 61.557 62.300 0.056 0.000 0.894 42 V CB 2.660 34.468 31.823 -0.026 0.000 1.004 42 V HN -0.116 nan 8.190 nan 0.000 0.424 43 I N 3.761 124.316 120.570 -0.025 0.000 2.336 43 I HA 0.465 4.635 4.170 -0.001 0.000 0.292 43 I C -0.521 175.532 176.117 -0.107 0.000 0.991 43 I CA -0.693 60.537 61.300 -0.117 0.000 1.227 43 I CB 1.899 39.824 38.000 -0.125 0.000 1.366 43 I HN 0.317 nan 8.210 nan 0.000 0.466 44 V N 7.820 127.654 119.914 -0.134 0.000 2.347 44 V HA 0.383 4.502 4.120 -0.001 0.000 0.280 44 V C 0.137 176.147 176.094 -0.139 0.000 1.021 44 V CA -0.469 61.769 62.300 -0.102 0.000 0.847 44 V CB 1.414 33.198 31.823 -0.066 0.000 0.990 44 V HN 0.453 nan 8.190 nan 0.000 0.444 45 I N 4.871 125.380 120.570 -0.103 0.000 2.297 45 I HA 0.679 4.848 4.170 -0.001 0.000 0.291 45 I C 0.782 176.850 176.117 -0.082 0.000 1.033 45 I CA -0.032 61.203 61.300 -0.109 0.000 1.253 45 I CB 1.018 38.987 38.000 -0.052 0.000 1.396 45 I HN 0.842 nan 8.210 nan 0.000 0.476 46 G N 3.741 112.457 108.800 -0.140 0.000 3.355 46 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.686 46 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.686 46 G C 0.033 174.860 174.900 -0.122 0.000 1.097 46 G CA -0.496 44.530 45.100 -0.123 0.000 0.881 46 G HN 1.012 nan 8.290 nan 0.000 0.550 47 G N 0.999 109.711 108.800 -0.147 0.000 3.814 47 G HA2 0.667 4.626 3.960 -0.001 0.000 0.293 47 G HA3 0.667 4.626 3.960 -0.001 0.000 0.293 47 G C 0.982 175.795 174.900 -0.146 0.000 1.243 47 G CA 0.941 45.976 45.100 -0.108 0.000 1.053 47 G HN 1.321 nan 8.290 nan 0.000 0.562 48 G N -0.492 108.226 108.800 -0.136 0.000 2.570 48 G HA2 0.236 4.195 3.960 -0.001 0.000 0.276 48 G HA3 0.236 4.195 3.960 -0.001 0.000 0.276 48 G C 0.616 175.372 174.900 -0.239 0.000 1.346 48 G CA -0.455 44.532 45.100 -0.188 0.000 1.034 48 G HN 0.186 nan 8.290 nan 0.000 0.512 49 Y N -1.337 118.886 120.300 -0.129 0.000 2.421 49 Y HA -0.066 4.483 4.550 -0.001 0.000 0.292 49 Y C 2.825 178.597 175.900 -0.213 0.000 1.136 49 Y CA 0.729 58.670 58.100 -0.265 0.000 1.255 49 Y CB -0.571 37.766 38.460 -0.205 0.000 0.991 49 Y HN 0.410 nan 8.280 nan 0.000 0.552 50 C N -0.346 118.959 119.300 0.008 0.000 2.476 50 C HA -0.007 4.452 4.460 -0.001 0.000 0.278 50 C C 2.990 177.971 174.990 -0.014 0.000 1.274 50 C CA 1.492 60.502 59.018 -0.012 0.000 1.713 50 C CB -1.315 26.399 27.740 -0.043 0.000 2.039 50 C HN 0.639 nan 8.230 nan 0.000 0.484 51 G N 0.249 109.032 108.800 -0.029 0.000 2.403 51 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.216 51 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.216 51 G C 1.613 176.518 174.900 0.009 0.000 1.154 51 G CA 0.783 45.873 45.100 -0.017 0.000 0.784 51 G HN 0.574 nan 8.290 nan 0.000 0.538 52 L N 0.584 121.794 121.223 -0.021 0.000 2.083 52 L HA -0.078 4.262 4.340 -0.001 0.000 0.209 52 L C 3.133 180.075 176.870 0.120 0.000 1.083 52 L CA 1.501 56.362 54.840 0.036 0.000 0.752 52 L CB -0.655 41.339 42.059 -0.108 0.000 0.899 52 L HN 0.149 nan 8.230 nan 0.000 0.433 53 T N -0.274 114.314 114.554 0.056 0.000 2.732 53 T HA -0.095 4.254 4.350 -0.001 0.000 0.261 53 T C 2.068 176.859 174.700 0.151 0.000 1.040 53 T CA 1.194 63.405 62.100 0.184 0.000 1.145 53 T CB -0.258 68.692 68.868 0.138 0.000 0.866 53 T HN 0.411 nan 8.240 nan 0.000 0.427 54 A N 1.393 124.266 122.820 0.089 0.000 1.908 54 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 54 A C 2.536 180.166 177.584 0.078 0.000 1.181 54 A CA 2.223 54.302 52.037 0.069 0.000 0.627 54 A CB -1.339 17.681 19.000 0.034 0.000 0.818 54 A HN 0.474 nan 8.150 nan 0.000 0.445 55 T N -0.743 113.859 114.554 0.080 0.000 2.643 55 T HA -0.144 4.205 4.350 -0.001 0.000 0.264 55 T C 2.149 176.908 174.700 0.098 0.000 1.045 55 T CA 1.267 63.413 62.100 0.077 0.000 1.155 55 T CB -0.299 68.612 68.868 0.071 0.000 0.863 55 T HN 0.421 nan 8.240 nan 0.000 0.420 56 R N 1.221 121.806 120.500 0.142 0.000 2.112 56 R HA -0.181 4.158 4.340 -0.001 0.000 0.242 56 R C 1.870 178.246 176.300 0.128 0.000 1.137 56 R CA 2.180 58.371 56.100 0.153 0.000 0.944 56 R CB -0.877 29.582 30.300 0.265 0.000 0.857 56 R HN 0.340 nan 8.270 nan 0.000 0.435 57 D N 0.230 120.713 120.400 0.138 0.000 2.117 57 D HA -0.099 4.541 4.640 -0.001 0.000 0.198 57 D C 2.108 178.499 176.300 0.153 0.000 0.982 57 D CA 0.991 55.068 54.000 0.127 0.000 0.828 57 D CB -0.216 40.657 40.800 0.122 0.000 0.967 57 D HN 0.227 nan 8.370 nan 0.000 0.464 58 L N 0.501 121.821 121.223 0.161 0.000 2.056 58 L HA -0.142 4.197 4.340 -0.001 0.000 0.207 58 L C 2.635 179.685 176.870 0.300 0.000 1.078 58 L CA 1.597 56.593 54.840 0.259 0.000 0.749 58 L CB -0.794 41.354 42.059 0.147 0.000 0.901 58 L HN 0.174 nan 8.230 nan 0.000 0.433 59 T N -3.283 111.375 114.554 0.173 0.000 2.732 59 T HA -0.121 4.228 4.350 -0.001 0.000 0.261 59 T C 1.864 176.606 174.700 0.071 0.000 1.040 59 T CA 1.095 63.266 62.100 0.119 0.000 1.145 59 T CB -0.883 68.025 68.868 0.067 0.000 0.866 59 T HN 0.034 nan 8.240 nan 0.000 0.427 60 V N 2.684 122.635 119.914 0.063 0.000 2.313 60 V HA -0.209 3.910 4.120 -0.001 0.000 0.253 60 V C 3.158 179.270 176.094 0.030 0.000 1.070 60 V CA 1.977 64.300 62.300 0.039 0.000 1.057 60 V CB -1.419 30.430 31.823 0.044 0.000 0.653 60 V HN 0.762 nan 8.190 nan 0.000 0.450 61 A N -1.259 121.602 122.820 0.069 0.000 2.206 61 A HA 0.369 4.689 4.320 -0.001 0.000 0.211 61 A C 1.942 179.441 177.584 -0.140 0.000 1.158 61 A CA 1.251 53.309 52.037 0.035 0.000 0.761 61 A CB -0.310 18.795 19.000 0.176 0.000 0.801 61 A HN 1.286 nan 8.150 nan 0.000 0.473 62 G N -2.496 106.222 108.800 -0.136 0.000 2.184 62 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.206 62 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.206 62 G C -0.115 174.580 174.900 -0.341 0.000 0.995 62 G CA -0.161 44.778 45.100 -0.268 0.000 0.651 62 G HN 0.280 nan 8.290 nan 0.000 0.511 63 F N 2.190 122.163 119.950 0.039 0.000 2.404 63 F HA 0.523 5.049 4.527 -0.001 0.000 0.345 63 F C 0.990 176.837 175.800 0.077 0.000 1.110 63 F CA -0.839 57.193 58.000 0.054 0.000 1.130 63 F CB 1.070 40.105 39.000 0.057 0.000 1.129 63 F HN -0.243 nan 8.300 nan 0.000 0.500 64 K N 2.861 123.421 120.400 0.267 0.000 2.378 64 K HA 0.225 4.544 4.320 -0.001 0.000 0.288 64 K C -0.394 176.438 176.600 0.387 0.000 1.057 64 K CA 0.097 56.547 56.287 0.271 0.000 0.971 64 K CB 0.354 32.956 32.500 0.170 0.000 0.975 64 K HN 0.576 nan 8.250 nan 0.000 0.475 65 T N 3.437 118.204 114.554 0.356 0.000 2.841 65 T HA 0.315 4.665 4.350 -0.001 0.000 0.285 65 T C -0.791 173.938 174.700 0.047 0.000 0.991 65 T CA -0.698 61.527 62.100 0.208 0.000 0.966 65 T CB 1.112 70.057 68.868 0.128 0.000 0.962 65 T HN 0.333 nan 8.240 nan 0.000 0.438 66 L N 4.523 125.624 121.223 -0.203 0.000 2.287 66 L HA 0.692 5.031 4.340 -0.001 0.000 0.287 66 L C -1.047 175.599 176.870 -0.373 0.000 1.022 66 L CA -0.717 53.771 54.840 -0.586 0.000 0.814 66 L CB 0.998 42.282 42.059 -1.292 0.000 1.217 66 L HN 0.669 nan 8.230 nan 0.000 0.420 67 L N 6.353 127.410 121.223 -0.277 0.000 2.262 67 L HA 0.521 4.860 4.340 -0.001 0.000 0.288 67 L C -1.294 175.349 176.870 -0.378 0.000 1.035 67 L CA -0.379 54.325 54.840 -0.227 0.000 0.820 67 L CB 0.678 42.710 42.059 -0.046 0.000 1.204 67 L HN 0.644 nan 8.230 nan 0.000 0.424 68 L N 4.843 125.812 121.223 -0.423 0.000 2.272 68 L HA 0.539 4.879 4.340 -0.001 0.000 0.289 68 L C -0.486 176.112 176.870 -0.454 0.000 1.032 68 L CA -0.411 54.133 54.840 -0.493 0.000 0.810 68 L CB 1.506 43.271 42.059 -0.490 0.000 1.205 68 L HN 0.533 nan 8.230 nan 0.000 0.422 69 E N 2.055 121.908 120.200 -0.579 0.000 2.256 69 E HA 0.533 4.882 4.350 -0.001 0.000 0.268 69 E C 0.067 176.413 176.600 -0.423 0.000 0.877 69 E CA -0.327 55.756 56.400 -0.529 0.000 0.757 69 E CB 2.110 31.367 29.700 -0.738 0.000 1.183 69 E HN 0.528 nan 8.360 nan 0.000 0.418 70 A N 5.087 127.624 122.820 -0.472 0.000 1.898 70 A HA 0.000 4.319 4.320 -0.001 0.000 0.216 70 A C 1.072 178.336 177.584 -0.534 0.000 1.181 70 A CA 0.952 52.591 52.037 -0.664 0.000 0.620 70 A CB -0.222 17.913 19.000 -1.442 0.000 0.819 70 A HN 0.596 nan 8.150 nan 0.000 0.442 71 R N -0.209 120.038 120.500 -0.421 0.000 2.668 71 R HA 0.234 4.573 4.340 -0.001 0.000 0.268 71 R C 0.199 176.474 176.300 -0.041 0.000 1.232 71 R CA 0.268 56.242 56.100 -0.210 0.000 1.166 71 R CB -0.012 30.160 30.300 -0.213 0.000 1.179 71 R HN 0.489 nan 8.270 nan 0.000 0.606 72 D N -0.547 119.788 120.400 -0.108 0.000 2.349 72 D HA -0.003 4.636 4.640 -0.001 0.000 0.214 72 D C 0.065 176.147 176.300 -0.363 0.000 1.063 72 D CA 0.029 53.943 54.000 -0.144 0.000 0.847 72 D CB 0.140 40.847 40.800 -0.154 0.000 0.933 72 D HN 0.400 nan 8.370 nan 0.000 0.513 73 R N -0.032 120.262 120.500 -0.344 0.000 2.836 73 R HA 0.638 4.977 4.340 -0.001 0.000 0.269 73 R C 0.055 176.156 176.300 -0.331 0.000 1.010 73 R CA -1.125 54.679 56.100 -0.493 0.000 0.930 73 R CB 1.211 31.223 30.300 -0.481 0.000 1.218 73 R HN 0.043 nan 8.270 nan 0.000 0.473 74 I N -2.188 118.132 120.570 -0.417 0.000 3.223 74 I HA 0.733 4.903 4.170 -0.001 0.000 0.317 74 I C 0.726 176.671 176.117 -0.287 0.000 1.050 74 I CA -0.043 61.085 61.300 -0.287 0.000 1.069 74 I CB 1.282 39.053 38.000 -0.381 0.000 1.406 74 I HN 0.935 nan 8.210 nan 0.000 0.596 75 G N 0.271 108.881 108.800 -0.318 0.000 2.313 75 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.215 75 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.215 75 G C 0.959 175.751 174.900 -0.179 0.000 1.023 75 G CA 0.147 45.049 45.100 -0.330 0.000 0.626 75 G HN 2.012 nan 8.290 nan 0.000 0.503 76 G N 0.517 109.258 108.800 -0.099 0.000 2.629 76 G HA2 -0.389 3.570 3.960 -0.001 0.000 0.313 76 G HA3 -0.389 3.570 3.960 -0.001 0.000 0.313 76 G C 0.833 175.878 174.900 0.242 0.000 1.217 76 G CA 1.378 46.501 45.100 0.039 0.000 0.994 76 G HN 1.204 nan 8.290 nan 0.000 0.549 77 R N 0.883 121.485 120.500 0.170 0.000 2.319 77 R HA 0.401 4.740 4.340 -0.001 0.000 0.204 77 R C 0.768 177.119 176.300 0.084 0.000 0.954 77 R CA 0.836 56.911 56.100 -0.041 0.000 1.066 77 R CB 0.037 30.203 30.300 -0.224 0.000 0.991 77 R HN 0.393 nan 8.270 nan 0.000 0.486 78 S N 0.947 116.846 115.700 0.331 0.000 2.672 78 S HA 0.534 5.003 4.470 -0.001 0.000 0.291 78 S C -1.745 173.148 174.600 0.487 0.000 1.145 78 S CA -0.816 57.615 58.200 0.385 0.000 1.013 78 S CB 0.724 64.188 63.200 0.440 0.000 1.017 78 S HN 0.384 nan 8.310 nan 0.000 0.487 79 W N 2.446 123.860 121.300 0.190 0.000 3.464 79 W HA 0.561 5.220 4.660 -0.001 0.000 0.292 79 W C -1.626 174.954 176.519 0.102 0.000 1.262 79 W CA -0.751 56.656 57.345 0.103 0.000 1.202 79 W CB 0.294 29.778 29.460 0.041 0.000 1.334 79 W HN 0.732 nan 8.180 nan 0.000 0.561 80 S N 0.962 116.740 115.700 0.130 0.000 2.532 80 S HA 0.694 5.163 4.470 -0.001 0.000 0.301 80 S C -1.034 173.556 174.600 -0.018 0.000 1.083 80 S CA -0.657 57.506 58.200 -0.061 0.000 1.025 80 S CB 2.137 65.310 63.200 -0.045 0.000 1.056 80 S HN 0.719 nan 8.310 nan 0.000 0.494 81 S N 1.706 117.338 115.700 -0.113 0.000 2.640 81 S HA 0.386 4.855 4.470 -0.001 0.000 0.320 81 S C -0.864 173.756 174.600 0.032 0.000 1.097 81 S CA -0.838 57.352 58.200 -0.017 0.000 1.092 81 S CB -0.370 62.781 63.200 -0.081 0.000 0.988 81 S HN 0.791 nan 8.310 nan 0.000 0.470 82 N N 4.692 123.409 118.700 0.029 0.000 2.405 82 N HA 0.321 5.060 4.740 -0.001 0.000 0.260 82 N C -0.910 174.654 175.510 0.091 0.000 1.152 82 N CA 0.068 53.138 53.050 0.035 0.000 0.948 82 N CB 0.538 39.024 38.487 -0.000 0.000 1.111 82 N HN 0.524 nan 8.380 nan 0.000 0.485 83 I N 2.037 122.724 120.570 0.195 0.000 2.410 83 I HA 0.130 4.299 4.170 -0.001 0.000 0.286 83 I C -0.354 175.876 176.117 0.188 0.000 1.009 83 I CA -0.597 60.813 61.300 0.184 0.000 1.111 83 I CB 1.519 39.617 38.000 0.164 0.000 1.262 83 I HN 0.433 nan 8.210 nan 0.000 0.443 84 D N 5.399 125.858 120.400 0.098 0.000 2.708 84 D HA -0.198 4.441 4.640 -0.001 0.000 0.236 84 D C 1.127 177.474 176.300 0.079 0.000 1.146 84 D CA 1.730 55.774 54.000 0.073 0.000 0.662 84 D CB -0.976 39.863 40.800 0.064 0.000 1.059 84 D HN 1.143 nan 8.370 nan 0.000 0.428 85 G N -0.867 107.976 108.800 0.070 0.000 2.162 85 G HA2 -0.362 3.597 3.960 -0.001 0.000 0.260 85 G HA3 -0.362 3.597 3.960 -0.001 0.000 0.260 85 G C -0.077 174.867 174.900 0.074 0.000 0.976 85 G CA 0.439 45.572 45.100 0.055 0.000 0.655 85 G HN 0.556 nan 8.290 nan 0.000 0.533 86 Y N 1.301 121.546 120.300 -0.093 0.000 2.364 86 Y HA 0.595 5.145 4.550 -0.001 0.000 0.340 86 Y C -2.413 173.305 175.900 -0.302 0.000 0.975 86 Y CA -2.747 55.210 58.100 -0.238 0.000 1.089 86 Y CB 2.241 40.460 38.460 -0.401 0.000 1.192 86 Y HN 0.005 nan 8.280 nan 0.000 0.454 87 P HA 0.113 nan 4.420 nan 0.000 0.280 87 P C -1.613 175.254 177.300 -0.722 0.000 1.300 87 P CA 0.310 63.086 63.100 -0.540 0.000 0.785 87 P CB -0.194 31.244 31.700 -0.436 0.000 0.874 88 Y N 1.917 121.979 120.300 -0.397 0.000 2.425 88 Y HA 0.142 4.692 4.550 -0.001 0.000 0.347 88 Y C 1.240 176.839 175.900 -0.502 0.000 0.976 88 Y CA -0.207 57.559 58.100 -0.558 0.000 1.190 88 Y CB 0.609 38.755 38.460 -0.524 0.000 1.136 88 Y HN 0.253 nan 8.280 nan 0.000 0.517 89 E N 4.767 124.798 120.200 -0.282 0.000 2.166 89 E HA 0.054 4.403 4.350 -0.001 0.000 0.279 89 E C 0.532 177.166 176.600 0.057 0.000 1.095 89 E CA 0.011 56.347 56.400 -0.107 0.000 0.888 89 E CB 0.882 30.542 29.700 -0.067 0.000 1.041 89 E HN 0.738 nan 8.360 nan 0.000 0.414 90 M N 1.212 120.689 119.600 -0.206 0.000 2.334 90 M HA 0.069 4.548 4.480 -0.001 0.000 0.266 90 M C 1.207 177.764 176.300 0.428 0.000 1.082 90 M CA 0.773 55.994 55.300 -0.130 0.000 1.141 90 M CB -0.364 31.549 32.600 -1.145 0.000 1.380 90 M HN 0.459 nan 8.290 nan 0.000 0.440 91 G N -0.866 108.142 108.800 0.347 0.000 3.359 91 G HA2 0.490 4.449 3.960 -0.001 0.000 0.187 91 G HA3 0.490 4.449 3.960 -0.001 0.000 0.187 91 G C -0.297 174.698 174.900 0.159 0.000 1.294 91 G CA -0.083 45.209 45.100 0.321 0.000 0.769 91 G HN 0.361 nan 8.290 nan 0.000 0.733 92 G N -0.462 108.402 108.800 0.106 0.000 2.265 92 G HA2 0.401 4.360 3.960 -0.001 0.000 0.240 92 G HA3 0.401 4.360 3.960 -0.001 0.000 0.240 92 G C 0.369 175.302 174.900 0.055 0.000 1.270 92 G CA 0.986 46.140 45.100 0.091 0.000 0.901 92 G HN 0.491 nan 8.290 nan 0.000 0.507 93 T N 1.530 116.036 114.554 -0.078 0.000 3.358 93 T HA 0.140 4.489 4.350 -0.001 0.000 0.263 93 T C 0.209 174.748 174.700 -0.268 0.000 0.998 93 T CA -0.079 61.831 62.100 -0.316 0.000 1.130 93 T CB 0.321 68.635 68.868 -0.923 0.000 1.165 93 T HN 0.542 nan 8.240 nan 0.000 0.426 94 W N 3.723 125.038 121.300 0.023 0.000 2.376 94 W HA 0.640 5.299 4.660 -0.001 0.000 0.322 94 W C -0.218 176.237 176.519 -0.107 0.000 1.160 94 W CA -1.022 56.290 57.345 -0.054 0.000 1.218 94 W CB 0.753 30.169 29.460 -0.074 0.000 1.205 94 W HN 0.075 nan 8.180 nan 0.000 0.559 95 V N -0.286 119.673 119.914 0.075 0.000 3.181 95 V HA 0.644 4.763 4.120 -0.001 0.000 0.308 95 V C -1.039 175.011 176.094 -0.073 0.000 1.214 95 V CA -0.797 61.460 62.300 -0.072 0.000 1.053 95 V CB 2.798 34.541 31.823 -0.134 0.000 1.069 95 V HN 0.710 nan 8.190 nan 0.000 0.441 96 H N 0.689 119.562 119.070 -0.328 0.000 3.064 96 H HA 0.251 4.807 4.556 -0.001 0.000 0.352 96 H C -0.584 174.336 175.328 -0.679 0.000 1.260 96 H CA -0.045 55.634 56.048 -0.615 0.000 1.160 96 H CB 1.916 31.202 29.762 -0.792 0.000 1.879 96 H HN 1.003 nan 8.280 nan 0.000 0.544 97 W N 2.390 122.912 121.300 -1.297 0.000 2.721 97 W HA 0.080 4.739 4.660 -0.001 0.000 0.245 97 W C 0.641 176.903 176.519 -0.428 0.000 1.276 97 W CA 0.238 56.648 57.345 -1.557 0.000 1.342 97 W CB -0.581 27.523 29.460 -2.259 0.000 1.135 97 W HN 0.528 nan 8.180 nan 0.000 0.654 98 H N 0.330 119.256 119.070 -0.240 0.000 2.539 98 H HA 0.138 4.694 4.556 -0.001 0.000 0.267 98 H C 0.429 175.718 175.328 -0.066 0.000 0.982 98 H CA 0.055 56.051 56.048 -0.087 0.000 1.146 98 H CB 0.247 29.921 29.762 -0.146 0.000 1.382 98 H HN 0.220 nan 8.280 nan 0.000 0.577 99 Q N 0.891 120.592 119.800 -0.166 0.000 2.503 99 Q HA 0.069 4.408 4.340 -0.001 0.000 0.227 99 Q C 0.928 176.921 176.000 -0.013 0.000 1.109 99 Q CA -0.335 55.214 55.803 -0.425 0.000 0.922 99 Q CB 1.702 29.903 28.738 -0.894 0.000 1.249 99 Q HN 0.166 nan 8.270 nan 0.000 0.530 100 S N 2.752 118.519 115.700 0.112 0.000 2.359 100 S HA -0.232 4.237 4.470 -0.001 0.000 0.223 100 S C 1.410 175.999 174.600 -0.018 0.000 1.039 100 S CA 1.525 59.735 58.200 0.017 0.000 1.042 100 S CB 0.030 63.136 63.200 -0.157 0.000 0.915 100 S HN 0.715 nan 8.310 nan 0.000 0.439 101 H N -0.682 118.498 119.070 0.182 0.000 2.372 101 H HA 0.092 4.647 4.556 -0.001 0.000 0.301 101 H C 2.428 177.881 175.328 0.208 0.000 1.065 101 H CA 1.374 57.530 56.048 0.180 0.000 1.364 101 H CB -0.851 29.014 29.762 0.171 0.000 1.406 101 H HN 0.391 nan 8.280 nan 0.000 0.521 102 V N 1.113 121.211 119.914 0.307 0.000 2.626 102 V HA -0.170 3.949 4.120 -0.001 0.000 0.252 102 V C 2.011 178.281 176.094 0.294 0.000 1.067 102 V CA 1.155 63.637 62.300 0.303 0.000 1.081 102 V CB -0.493 31.429 31.823 0.165 0.000 0.686 102 V HN 0.521 nan 8.190 nan 0.000 0.468 103 W N 0.737 122.077 121.300 0.067 0.000 2.476 103 W HA -0.104 4.555 4.660 -0.001 0.000 0.281 103 W C 2.534 179.097 176.519 0.073 0.000 1.230 103 W CA 1.367 58.746 57.345 0.058 0.000 1.287 103 W CB -0.036 29.455 29.460 0.052 0.000 1.108 103 W HN 0.240 nan 8.180 nan 0.000 0.567 104 R N 0.824 121.394 120.500 0.117 0.000 2.082 104 R HA -0.206 4.133 4.340 -0.001 0.000 0.234 104 R C 2.020 178.274 176.300 -0.076 0.000 1.136 104 R CA 2.153 58.248 56.100 -0.010 0.000 0.935 104 R CB -0.455 29.862 30.300 0.028 0.000 0.842 104 R HN -0.041 nan 8.270 nan 0.000 0.430 105 E N 0.679 120.915 120.200 0.059 0.000 2.085 105 E HA -0.213 4.136 4.350 -0.001 0.000 0.194 105 E C 2.134 178.815 176.600 0.135 0.000 0.994 105 E CA 1.333 57.765 56.400 0.053 0.000 0.801 105 E CB -0.341 29.627 29.700 0.447 0.000 0.743 105 E HN 0.499 nan 8.360 nan 0.000 0.453 106 I N 1.405 122.032 120.570 0.095 0.000 2.163 106 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 106 I C 2.724 178.711 176.117 -0.217 0.000 1.085 106 I CA 1.974 63.208 61.300 -0.110 0.000 1.347 106 I CB -0.567 37.126 38.000 -0.512 0.000 1.044 106 I HN 0.224 nan 8.210 nan 0.000 0.408 107 T N -1.425 112.855 114.554 -0.457 0.000 2.857 107 T HA -0.192 4.158 4.350 -0.001 0.000 0.266 107 T C 2.002 176.612 174.700 -0.150 0.000 1.048 107 T CA 0.833 62.739 62.100 -0.323 0.000 1.139 107 T CB -0.385 68.194 68.868 -0.481 0.000 0.874 107 T HN 0.279 nan 8.240 nan 0.000 0.455 108 R N -0.561 119.818 120.500 -0.201 0.000 2.120 108 R HA -0.049 4.291 4.340 -0.001 0.000 0.234 108 R C 1.265 177.458 176.300 -0.178 0.000 1.123 108 R CA 1.086 57.048 56.100 -0.229 0.000 0.975 108 R CB -0.292 29.791 30.300 -0.362 0.000 0.866 108 R HN 0.447 nan 8.270 nan 0.000 0.446 109 Y N 0.648 120.924 120.300 -0.040 0.000 2.461 109 Y HA 0.215 4.764 4.550 -0.001 0.000 0.277 109 Y C 0.127 176.026 175.900 -0.002 0.000 1.182 109 Y CA -0.105 57.974 58.100 -0.034 0.000 1.276 109 Y CB 0.139 38.584 38.460 -0.024 0.000 1.087 109 Y HN -0.013 nan 8.280 nan 0.000 0.519 110 K N -0.608 119.885 120.400 0.156 0.000 3.071 110 K HA -0.253 4.066 4.320 -0.001 0.000 0.265 110 K C 0.441 177.014 176.600 -0.045 0.000 1.060 110 K CA 0.831 57.199 56.287 0.134 0.000 0.767 110 K CB -1.660 30.896 32.500 0.093 0.000 1.241 110 K HN 0.390 nan 8.250 nan 0.000 0.486 111 M N -0.291 119.311 119.600 0.003 0.000 2.356 111 M HA 0.041 4.521 4.480 -0.001 0.000 0.262 111 M C 1.676 177.874 176.300 -0.170 0.000 1.097 111 M CA -0.123 55.144 55.300 -0.055 0.000 0.991 111 M CB 0.126 32.809 32.600 0.138 0.000 1.450 111 M HN 0.295 nan 8.290 nan 0.000 0.495 112 H N -0.374 118.577 119.070 -0.198 0.000 2.426 112 H HA -0.056 4.499 4.556 -0.001 0.000 0.298 112 H C 0.551 175.846 175.328 -0.056 0.000 1.107 112 H CA 1.115 57.031 56.048 -0.220 0.000 1.298 112 H CB -0.728 28.904 29.762 -0.216 0.000 1.377 112 H HN 0.354 nan 8.280 nan 0.000 0.519 113 N N 0.723 119.171 118.700 -0.421 0.000 2.268 113 N HA 0.225 4.964 4.740 -0.001 0.000 0.204 113 N C 0.590 176.024 175.510 -0.127 0.000 1.124 113 N CA 0.643 53.562 53.050 -0.219 0.000 0.838 113 N CB 0.734 39.075 38.487 -0.243 0.000 0.994 113 N HN 0.490 nan 8.380 nan 0.000 0.489 114 A N 0.433 123.201 122.820 -0.086 0.000 2.708 114 A HA 0.367 4.686 4.320 -0.001 0.000 0.293 114 A C 0.240 177.852 177.584 0.045 0.000 1.303 114 A CA -0.295 51.742 52.037 -0.001 0.000 0.949 114 A CB -0.163 18.861 19.000 0.041 0.000 1.121 114 A HN 0.094 nan 8.150 nan 0.000 0.542 115 L N -0.108 121.115 121.223 0.001 0.000 2.344 115 L HA 0.616 4.955 4.340 -0.001 0.000 0.272 115 L C -0.036 176.858 176.870 0.040 0.000 1.035 115 L CA -0.528 54.313 54.840 0.001 0.000 0.807 115 L CB 1.957 44.004 42.059 -0.019 0.000 1.237 115 L HN 0.112 nan 8.230 nan 0.000 0.442 116 S N 0.690 116.444 115.700 0.089 0.000 2.542 116 S HA 0.575 5.044 4.470 -0.001 0.000 0.293 116 S C -2.667 172.066 174.600 0.222 0.000 1.089 116 S CA -1.262 57.010 58.200 0.121 0.000 0.961 116 S CB 1.963 65.219 63.200 0.094 0.000 1.062 116 S HN 0.361 nan 8.310 nan 0.000 0.483 117 P HA 0.345 nan 4.420 nan 0.000 0.276 117 P C 0.203 177.572 177.300 0.114 0.000 1.235 117 P CA -0.199 63.052 63.100 0.251 0.000 0.772 117 P CB 0.844 32.675 31.700 0.219 0.000 0.871 118 S N 1.837 117.561 115.700 0.041 0.000 2.355 118 S HA -0.017 4.452 4.470 -0.001 0.000 0.222 118 S C 0.577 175.018 174.600 -0.265 0.000 1.031 118 S CA 1.025 59.171 58.200 -0.091 0.000 0.993 118 S CB -0.588 62.491 63.200 -0.202 0.000 0.859 118 S HN 0.391 nan 8.310 nan 0.000 0.453 119 F N 2.493 122.330 119.950 -0.188 0.000 2.427 119 F HA 0.440 4.966 4.527 -0.001 0.000 0.352 119 F C 0.604 176.121 175.800 -0.471 0.000 1.100 119 F CA -0.638 57.093 58.000 -0.448 0.000 1.191 119 F CB 0.364 38.952 39.000 -0.687 0.000 1.128 119 F HN 0.002 nan 8.300 nan 0.000 0.533 120 N N 3.343 121.845 118.700 -0.330 0.000 2.558 120 N HA 0.214 4.953 4.740 -0.001 0.000 0.285 120 N C -1.070 174.393 175.510 -0.078 0.000 1.112 120 N CA -0.392 52.549 53.050 -0.182 0.000 0.857 120 N CB 0.360 38.841 38.487 -0.010 0.000 1.376 120 N HN 0.260 nan 8.380 nan 0.000 0.526 121 F N 0.936 120.935 119.950 0.082 0.000 2.684 121 F HA 0.204 4.730 4.527 -0.001 0.000 0.298 121 F C 2.010 177.862 175.800 0.086 0.000 1.120 121 F CA -0.360 57.687 58.000 0.079 0.000 1.332 121 F CB -0.219 38.804 39.000 0.038 0.000 0.986 121 F HN 0.471 nan 8.300 nan 0.000 0.524 122 S N 0.281 116.110 115.700 0.216 0.000 2.558 122 S HA 0.197 4.666 4.470 -0.001 0.000 0.217 122 S C 0.684 175.362 174.600 0.129 0.000 0.975 122 S CA -0.317 57.974 58.200 0.152 0.000 0.912 122 S CB 0.006 63.269 63.200 0.105 0.000 0.776 122 S HN 0.487 nan 8.310 nan 0.000 0.526 123 R N -1.484 119.102 120.500 0.143 0.000 2.766 123 R HA 0.719 5.058 4.340 -0.001 0.000 0.270 123 R C 0.313 176.687 176.300 0.123 0.000 1.035 123 R CA -0.605 55.562 56.100 0.112 0.000 0.911 123 R CB 0.061 30.413 30.300 0.086 0.000 1.243 123 R HN 0.496 nan 8.270 nan 0.000 0.460 124 G N -0.327 108.526 108.800 0.089 0.000 2.615 124 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.218 124 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.218 124 G C 0.646 175.574 174.900 0.045 0.000 1.339 124 G CA 0.179 45.325 45.100 0.077 0.000 0.884 124 G HN 1.425 nan 8.290 nan 0.000 0.559 125 V N -2.003 117.907 119.914 -0.006 0.000 2.490 125 V HA 0.017 4.136 4.120 -0.001 0.000 0.250 125 V C 1.647 177.614 176.094 -0.213 0.000 1.061 125 V CA 2.460 64.655 62.300 -0.175 0.000 1.064 125 V CB -1.148 30.436 31.823 -0.399 0.000 0.670 125 V HN 2.609 nan 8.190 nan 0.000 0.461 126 N N 1.341 120.032 118.700 -0.015 0.000 2.727 126 N HA -0.216 4.523 4.740 -0.001 0.000 0.249 126 N C -0.224 175.253 175.510 -0.055 0.000 1.048 126 N CA 1.373 54.485 53.050 0.102 0.000 0.714 126 N CB -1.787 36.765 38.487 0.109 0.000 0.959 126 N HN 1.158 nan 8.380 nan 0.000 0.544 127 H N -2.541 116.491 119.070 -0.063 0.000 2.949 127 H HA 0.679 5.234 4.556 -0.001 0.000 0.356 127 H C -1.218 173.859 175.328 -0.418 0.000 1.212 127 H CA -1.224 54.624 56.048 -0.333 0.000 1.136 127 H CB 0.122 29.865 29.762 -0.030 0.000 1.869 127 H HN -0.003 nan 8.280 nan 0.000 0.556 128 F N 1.297 121.049 119.950 -0.330 0.000 2.436 128 F HA 0.417 4.943 4.527 -0.001 0.000 0.340 128 F C -0.475 175.195 175.800 -0.217 0.000 1.113 128 F CA -0.758 57.065 58.000 -0.296 0.000 1.022 128 F CB 1.837 40.663 39.000 -0.289 0.000 1.128 128 F HN 0.760 nan 8.300 nan 0.000 0.466 129 Q N 6.787 126.132 119.800 -0.759 0.000 2.368 129 Q HA 0.500 4.839 4.340 -0.001 0.000 0.263 129 Q C -2.067 173.351 176.000 -0.971 0.000 1.009 129 Q CA -0.981 54.378 55.803 -0.740 0.000 0.818 129 Q CB 1.466 30.132 28.738 -0.121 0.000 1.239 129 Q HN 0.811 nan 8.270 nan 0.000 0.464 130 L N 4.583 125.238 121.223 -0.948 0.000 2.287 130 L HA 0.528 4.868 4.340 -0.001 0.000 0.287 130 L C -1.220 175.469 176.870 -0.300 0.000 1.022 130 L CA -0.025 54.435 54.840 -0.634 0.000 0.814 130 L CB 1.215 42.949 42.059 -0.542 0.000 1.217 130 L HN 0.621 nan 8.230 nan 0.000 0.420 131 R N 2.644 123.089 120.500 -0.092 0.000 2.409 131 R HA 0.382 4.721 4.340 -0.001 0.000 0.313 131 R C 0.384 176.840 176.300 0.260 0.000 0.953 131 R CA 0.198 56.349 56.100 0.085 0.000 0.849 131 R CB 1.452 31.890 30.300 0.230 0.000 1.171 131 R HN 0.782 nan 8.270 nan 0.000 0.458 132 T N -1.612 113.041 114.554 0.165 0.000 3.023 132 T HA 0.078 4.427 4.350 -0.001 0.000 0.253 132 T C 0.402 175.187 174.700 0.142 0.000 1.038 132 T CA -0.012 62.200 62.100 0.187 0.000 0.962 132 T CB -0.175 68.742 68.868 0.081 0.000 1.018 132 T HN 0.621 nan 8.240 nan 0.000 0.521 133 N N -0.494 118.160 118.700 -0.076 0.000 2.934 133 N HA 0.438 5.178 4.740 -0.001 0.000 0.253 133 N C -3.064 171.822 175.510 -1.040 0.000 1.466 133 N CA -1.983 50.765 53.050 -0.504 0.000 0.858 133 N CB 0.804 39.128 38.487 -0.271 0.000 1.459 133 N HN -0.299 nan 8.380 nan 0.000 0.532 134 P HA 0.007 nan 4.420 nan 0.000 0.225 134 P C 0.456 177.508 177.300 -0.414 0.000 1.148 134 P CA 1.338 63.869 63.100 -0.948 0.000 0.779 134 P CB 0.236 31.598 31.700 -0.564 0.000 0.780 135 T N -2.459 111.909 114.554 -0.311 0.000 3.042 135 T HA 0.068 4.418 4.350 -0.001 0.000 0.245 135 T C 0.805 175.436 174.700 -0.115 0.000 1.029 135 T CA 0.737 62.736 62.100 -0.168 0.000 1.120 135 T CB -0.296 68.489 68.868 -0.138 0.000 0.917 135 T HN 0.056 nan 8.240 nan 0.000 0.467 136 T N 2.453 116.929 114.554 -0.129 0.000 2.910 136 T HA 0.514 4.863 4.350 -0.001 0.000 0.293 136 T C -0.322 174.316 174.700 -0.103 0.000 1.015 136 T CA -0.165 61.875 62.100 -0.099 0.000 1.094 136 T CB 1.058 69.862 68.868 -0.106 0.000 0.968 136 T HN 0.007 nan 8.240 nan 0.000 0.521 137 S N 1.041 116.660 115.700 -0.135 0.000 2.541 137 S HA 0.619 5.089 4.470 -0.001 0.000 0.280 137 S C -0.583 173.786 174.600 -0.385 0.000 1.112 137 S CA -0.815 57.199 58.200 -0.310 0.000 0.925 137 S CB 1.969 64.916 63.200 -0.421 0.000 1.067 137 S HN 0.694 nan 8.310 nan 0.000 0.479 138 T N 2.900 117.155 114.554 -0.498 0.000 2.812 138 T HA 0.582 4.931 4.350 -0.001 0.000 0.282 138 T C -1.296 173.041 174.700 -0.605 0.000 0.990 138 T CA -0.315 61.550 62.100 -0.392 0.000 0.960 138 T CB 0.399 69.134 68.868 -0.222 0.000 0.948 138 T HN 0.434 nan 8.240 nan 0.000 0.438 139 Y N 2.761 122.925 120.300 -0.227 0.000 2.496 139 Y HA 0.814 5.364 4.550 -0.001 0.000 0.331 139 Y C 0.393 176.178 175.900 -0.191 0.000 1.140 139 Y CA -1.311 56.599 58.100 -0.317 0.000 1.166 139 Y CB 1.606 39.824 38.460 -0.402 0.000 1.249 139 Y HN 0.643 nan 8.280 nan 0.000 0.479 140 M N -0.765 118.836 119.600 0.001 0.000 2.755 140 M HA 0.397 4.876 4.480 -0.001 0.000 0.276 140 M C -1.045 175.250 176.300 -0.007 0.000 1.129 140 M CA -1.011 54.303 55.300 0.023 0.000 0.832 140 M CB 1.599 34.227 32.600 0.048 0.000 1.700 140 M HN 0.585 nan 8.290 nan 0.000 0.518 141 T N -2.081 112.453 114.554 -0.034 0.000 2.855 141 T HA 0.210 4.559 4.350 -0.001 0.000 0.314 141 T C 0.776 175.368 174.700 -0.180 0.000 1.077 141 T CA 0.172 62.207 62.100 -0.108 0.000 1.095 141 T CB 0.252 69.087 68.868 -0.055 0.000 0.987 141 T HN 0.756 nan 8.240 nan 0.000 0.546 142 H N 0.997 119.958 119.070 -0.182 0.000 2.421 142 H HA -0.040 4.515 4.556 -0.001 0.000 0.298 142 H C 2.058 177.258 175.328 -0.215 0.000 1.087 142 H CA 1.835 57.697 56.048 -0.310 0.000 1.330 142 H CB -0.039 29.289 29.762 -0.723 0.000 1.388 142 H HN 0.747 nan 8.280 nan 0.000 0.526 143 E N 0.966 121.138 120.200 -0.046 0.000 2.051 143 E HA -0.105 4.244 4.350 -0.001 0.000 0.192 143 E C 2.489 179.059 176.600 -0.050 0.000 0.991 143 E CA 1.152 57.529 56.400 -0.037 0.000 0.799 143 E CB -0.387 29.299 29.700 -0.023 0.000 0.748 143 E HN 0.408 nan 8.360 nan 0.000 0.449 144 A N 1.014 123.805 122.820 -0.048 0.000 1.933 144 A HA -0.285 4.034 4.320 -0.001 0.000 0.218 144 A C 2.192 179.732 177.584 -0.073 0.000 1.175 144 A CA 1.830 53.842 52.037 -0.042 0.000 0.628 144 A CB -0.565 18.427 19.000 -0.014 0.000 0.814 144 A HN 0.343 nan 8.150 nan 0.000 0.444 145 E N -0.040 120.094 120.200 -0.110 0.000 2.038 145 E HA -0.268 4.081 4.350 -0.001 0.000 0.195 145 E C 1.351 177.767 176.600 -0.306 0.000 1.000 145 E CA 1.532 57.754 56.400 -0.297 0.000 0.803 145 E CB -0.238 29.167 29.700 -0.492 0.000 0.750 145 E HN 0.520 nan 8.360 nan 0.000 0.448 146 D N 0.350 120.644 120.400 -0.178 0.000 2.133 146 D HA -0.207 4.433 4.640 -0.001 0.000 0.195 146 D C 1.921 178.097 176.300 -0.207 0.000 0.997 146 D CA 1.439 55.380 54.000 -0.098 0.000 0.840 146 D CB -0.347 40.471 40.800 0.030 0.000 0.947 146 D HN 0.226 nan 8.370 nan 0.000 0.452 147 E N 0.347 120.461 120.200 -0.143 0.000 2.106 147 E HA -0.113 4.236 4.350 -0.001 0.000 0.192 147 E C 1.961 178.462 176.600 -0.165 0.000 0.984 147 E CA 0.358 56.684 56.400 -0.123 0.000 0.806 147 E CB -0.419 29.236 29.700 -0.075 0.000 0.750 147 E HN 0.203 nan 8.360 nan 0.000 0.458 148 L N 0.036 121.151 121.223 -0.181 0.000 1.994 148 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 148 L C 2.271 178.985 176.870 -0.261 0.000 1.071 148 L CA 1.646 56.384 54.840 -0.169 0.000 0.745 148 L CB -0.604 41.386 42.059 -0.117 0.000 0.892 148 L HN 0.251 nan 8.230 nan 0.000 0.431 149 L N -0.605 120.357 121.223 -0.435 0.000 2.083 149 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 149 L C 2.848 179.331 176.870 -0.646 0.000 1.083 149 L CA 1.472 55.914 54.840 -0.663 0.000 0.752 149 L CB -0.552 40.842 42.059 -1.109 0.000 0.899 149 L HN 0.342 nan 8.230 nan 0.000 0.433 150 R N -0.600 119.567 120.500 -0.554 0.000 2.081 150 R HA -0.185 4.154 4.340 -0.001 0.000 0.235 150 R C 2.482 178.735 176.300 -0.079 0.000 1.131 150 R CA 1.837 57.803 56.100 -0.223 0.000 0.960 150 R CB -0.288 29.959 30.300 -0.087 0.000 0.856 150 R HN 0.243 nan 8.270 nan 0.000 0.436 151 S N -0.076 115.560 115.700 -0.106 0.000 2.348 151 S HA -0.137 4.332 4.470 -0.001 0.000 0.221 151 S C 2.016 176.610 174.600 -0.010 0.000 1.033 151 S CA 1.425 59.603 58.200 -0.036 0.000 1.010 151 S CB -0.259 62.906 63.200 -0.059 0.000 0.891 151 S HN 0.534 nan 8.310 nan 0.000 0.442 152 A N 1.250 124.013 122.820 -0.095 0.000 1.877 152 A HA 0.035 4.354 4.320 -0.001 0.000 0.216 152 A C 2.245 179.778 177.584 -0.084 0.000 1.186 152 A CA 1.542 53.515 52.037 -0.106 0.000 0.620 152 A CB -0.901 17.991 19.000 -0.181 0.000 0.822 152 A HN 0.574 nan 8.150 nan 0.000 0.443 153 L N -1.465 119.689 121.223 -0.115 0.000 2.201 153 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 153 L C 2.551 179.390 176.870 -0.053 0.000 1.105 153 L CA 1.516 56.301 54.840 -0.092 0.000 0.775 153 L CB -0.550 41.470 42.059 -0.066 0.000 0.913 153 L HN 0.686 nan 8.230 nan 0.000 0.440 154 H N 0.588 119.651 119.070 -0.012 0.000 2.293 154 H HA -0.177 4.378 4.556 -0.001 0.000 0.300 154 H C 2.231 177.558 175.328 -0.002 0.000 1.082 154 H CA 1.863 57.932 56.048 0.035 0.000 1.308 154 H CB 0.146 29.941 29.762 0.055 0.000 1.375 154 H HN 0.072 nan 8.280 nan 0.000 0.495 155 K N -0.878 119.480 120.400 -0.070 0.000 2.097 155 K HA -0.120 4.199 4.320 -0.001 0.000 0.206 155 K C 2.018 178.555 176.600 -0.106 0.000 1.049 155 K CA 1.321 57.540 56.287 -0.112 0.000 0.933 155 K CB -0.242 32.252 32.500 -0.009 0.000 0.717 155 K HN 0.228 nan 8.250 nan 0.000 0.442 156 F N 1.485 121.297 119.950 -0.229 0.000 2.163 156 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 156 F C 2.281 177.987 175.800 -0.158 0.000 1.094 156 F CA 1.746 59.609 58.000 -0.229 0.000 1.290 156 F CB -0.415 38.423 39.000 -0.270 0.000 1.017 156 F HN 0.024 nan 8.300 nan 0.000 0.483 157 T N -2.747 111.643 114.554 -0.274 0.000 3.065 157 T HA 0.031 4.380 4.350 -0.001 0.000 0.252 157 T C 1.132 175.695 174.700 -0.228 0.000 1.099 157 T CA 0.269 62.157 62.100 -0.353 0.000 1.063 157 T CB -0.634 67.772 68.868 -0.771 0.000 0.948 157 T HN 0.088 nan 8.240 nan 0.000 0.506 158 N N 2.571 121.114 118.700 -0.263 0.000 3.210 158 N HA 0.103 4.842 4.740 -0.001 0.000 0.314 158 N C 1.282 176.691 175.510 -0.169 0.000 1.291 158 N CA -0.143 52.770 53.050 -0.229 0.000 1.202 158 N CB 0.072 38.309 38.487 -0.417 0.000 1.475 158 N HN 0.463 nan 8.380 nan 0.000 0.554 159 V N -1.952 117.861 119.914 -0.168 0.000 3.217 159 V HA 0.054 4.173 4.120 -0.001 0.000 0.264 159 V C 0.654 176.712 176.094 -0.060 0.000 1.135 159 V CA 1.389 63.589 62.300 -0.167 0.000 1.142 159 V CB -0.273 31.290 31.823 -0.434 0.000 0.754 159 V HN 0.358 nan 8.190 nan 0.000 0.484 160 D N -1.248 119.128 120.400 -0.040 0.000 2.539 160 D HA 0.302 4.941 4.640 -0.001 0.000 0.232 160 D C 1.497 177.807 176.300 0.017 0.000 1.256 160 D CA 0.403 54.415 54.000 0.020 0.000 0.810 160 D CB 0.301 41.128 40.800 0.044 0.000 1.090 160 D HN 0.731 nan 8.370 nan 0.000 0.519 161 G N 0.612 109.412 108.800 -0.000 0.000 2.176 161 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.253 161 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.253 161 G C 0.814 175.735 174.900 0.034 0.000 0.979 161 G CA 0.836 45.946 45.100 0.017 0.000 0.641 161 G HN 0.919 nan 8.290 nan 0.000 0.530 162 T N -2.878 111.692 114.554 0.026 0.000 3.475 162 T HA 0.364 4.713 4.350 -0.001 0.000 0.310 162 T C 0.635 175.375 174.700 0.067 0.000 0.963 162 T CA 0.667 62.783 62.100 0.027 0.000 0.985 162 T CB -0.137 68.710 68.868 -0.035 0.000 1.198 162 T HN 0.776 nan 8.240 nan 0.000 0.508 163 N N 1.445 120.210 118.700 0.109 0.000 2.747 163 N HA -0.201 4.539 4.740 -0.001 0.000 0.249 163 N C 1.142 176.876 175.510 0.374 0.000 1.107 163 N CA 1.275 54.479 53.050 0.258 0.000 0.707 163 N CB -1.689 37.108 38.487 0.517 0.000 1.054 163 N HN 1.279 nan 8.380 nan 0.000 0.555 164 G N -0.616 108.289 108.800 0.175 0.000 2.175 164 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.244 164 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.244 164 G C 0.920 175.916 174.900 0.161 0.000 0.982 164 G CA 0.524 45.758 45.100 0.223 0.000 0.641 164 G HN 0.519 nan 8.290 nan 0.000 0.527 165 R N -0.116 120.308 120.500 -0.127 0.000 2.235 165 R HA 0.080 4.419 4.340 -0.001 0.000 0.213 165 R C 2.295 178.489 176.300 -0.177 0.000 1.059 165 R CA 1.529 57.370 56.100 -0.432 0.000 0.997 165 R CB -0.148 29.796 30.300 -0.593 0.000 0.884 165 R HN 0.433 nan 8.270 nan 0.000 0.462 166 T N 0.012 114.540 114.554 -0.044 0.000 2.983 166 T HA -0.028 4.322 4.350 -0.001 0.000 0.250 166 T C 1.906 176.667 174.700 0.103 0.000 1.037 166 T CA 1.034 63.145 62.100 0.018 0.000 1.142 166 T CB 0.195 69.084 68.868 0.035 0.000 0.876 166 T HN 0.175 nan 8.240 nan 0.000 0.455 167 V N -0.951 119.057 119.914 0.156 0.000 2.951 167 V HA 0.380 4.500 4.120 -0.001 0.000 0.255 167 V C 0.781 177.042 176.094 0.279 0.000 1.088 167 V CA 0.488 62.954 62.300 0.278 0.000 1.109 167 V CB -0.332 31.724 31.823 0.388 0.000 0.724 167 V HN 0.276 nan 8.190 nan 0.000 0.471 168 L N 2.037 123.356 121.223 0.160 0.000 2.511 168 L HA 0.552 4.891 4.340 -0.001 0.000 0.252 168 L C -1.806 175.081 176.870 0.027 0.000 1.542 168 L CA -1.252 53.600 54.840 0.019 0.000 0.822 168 L CB 1.519 43.512 42.059 -0.110 0.000 1.050 168 L HN -0.031 nan 8.230 nan 0.000 0.516 169 P HA -0.020 nan 4.420 nan 0.000 0.220 169 P C 0.126 177.117 177.300 -0.516 0.000 1.152 169 P CA 0.931 63.833 63.100 -0.331 0.000 0.812 169 P CB 0.132 31.530 31.700 -0.503 0.000 0.792 170 F N 1.526 121.379 119.950 -0.163 0.000 2.319 170 F HA 0.354 4.880 4.527 -0.001 0.000 0.356 170 F C -1.358 174.350 175.800 -0.152 0.000 1.100 170 F CA -2.636 55.257 58.000 -0.179 0.000 1.220 170 F CB 0.704 39.506 39.000 -0.331 0.000 1.506 170 F HN -0.087 nan 8.300 nan 0.000 0.512 171 P HA -0.191 nan 4.420 nan 0.000 0.223 171 P C 0.912 178.099 177.300 -0.188 0.000 1.144 171 P CA 1.588 64.501 63.100 -0.312 0.000 0.783 171 P CB 0.033 31.308 31.700 -0.709 0.000 0.771 172 H N -1.292 117.745 119.070 -0.054 0.000 2.546 172 H HA 0.054 4.609 4.556 -0.001 0.000 0.277 172 H C 0.346 175.679 175.328 0.008 0.000 1.004 172 H CA 0.941 56.990 56.048 0.001 0.000 1.231 172 H CB -0.147 29.613 29.762 -0.004 0.000 1.382 172 H HN 0.100 nan 8.280 nan 0.000 0.580 173 D N 0.231 120.696 120.400 0.108 0.000 2.378 173 D HA 0.035 4.674 4.640 -0.001 0.000 0.265 173 D C 1.122 177.445 176.300 0.039 0.000 1.229 173 D CA -0.386 53.669 54.000 0.091 0.000 0.914 173 D CB 0.248 41.131 40.800 0.138 0.000 1.140 173 D HN 0.258 nan 8.370 nan 0.000 0.516 174 M N 0.248 119.753 119.600 -0.158 0.000 2.460 174 M HA 0.071 4.550 4.480 -0.001 0.000 0.263 174 M C -0.098 176.105 176.300 -0.162 0.000 1.071 174 M CA 1.173 56.266 55.300 -0.345 0.000 1.096 174 M CB -0.188 32.123 32.600 -0.481 0.000 1.408 174 M HN 0.044 nan 8.290 nan 0.000 0.463 175 F N -0.897 119.166 119.950 0.189 0.000 2.693 175 F HA 0.210 4.736 4.527 -0.001 0.000 0.303 175 F C 1.679 177.603 175.800 0.206 0.000 1.097 175 F CA -0.748 57.372 58.000 0.200 0.000 1.330 175 F CB -0.977 38.108 39.000 0.141 0.000 1.067 175 F HN 0.119 nan 8.300 nan 0.000 0.565 176 Y N 0.365 120.812 120.300 0.245 0.000 2.207 176 Y HA -0.072 4.477 4.550 -0.001 0.000 0.287 176 Y C 0.635 176.663 175.900 0.213 0.000 1.156 176 Y CA 1.070 59.300 58.100 0.216 0.000 1.182 176 Y CB 0.189 38.800 38.460 0.252 0.000 0.979 176 Y HN -0.236 nan 8.280 nan 0.000 0.521 177 V N 1.981 122.108 119.914 0.355 0.000 2.326 177 V HA 0.181 4.300 4.120 -0.001 0.000 0.281 177 V C -1.658 174.612 176.094 0.293 0.000 1.015 177 V CA -1.553 60.905 62.300 0.265 0.000 0.823 177 V CB 1.297 33.301 31.823 0.302 0.000 1.009 177 V HN 0.016 nan 8.190 nan 0.000 0.436 178 P HA -0.195 nan 4.420 nan 0.000 0.216 178 P C 1.305 178.740 177.300 0.226 0.000 1.154 178 P CA 1.230 64.457 63.100 0.212 0.000 0.865 178 P CB 0.325 32.090 31.700 0.109 0.000 0.789 179 E N -2.024 118.291 120.200 0.193 0.000 2.394 179 E HA -0.208 4.141 4.350 -0.001 0.000 0.202 179 E C 1.498 178.252 176.600 0.256 0.000 1.029 179 E CA 0.680 57.183 56.400 0.171 0.000 0.855 179 E CB -1.100 28.713 29.700 0.189 0.000 0.770 179 E HN 0.344 nan 8.360 nan 0.000 0.527 180 F N 0.810 120.900 119.950 0.233 0.000 2.293 180 F HA -0.047 4.479 4.527 -0.001 0.000 0.300 180 F C 2.162 178.095 175.800 0.223 0.000 1.086 180 F CA 1.092 59.261 58.000 0.281 0.000 1.375 180 F CB 0.052 39.184 39.000 0.220 0.000 1.045 180 F HN -0.151 nan 8.300 nan 0.000 0.516 181 R N 0.810 121.370 120.500 0.100 0.000 2.091 181 R HA -0.259 4.080 4.340 -0.001 0.000 0.238 181 R C 2.395 178.614 176.300 -0.135 0.000 1.136 181 R CA 1.981 58.113 56.100 0.054 0.000 0.959 181 R CB -0.373 30.056 30.300 0.215 0.000 0.856 181 R HN 0.291 nan 8.270 nan 0.000 0.437 182 K N -0.532 119.735 120.400 -0.222 0.000 2.089 182 K HA -0.235 4.084 4.320 -0.001 0.000 0.210 182 K C 1.721 178.087 176.600 -0.389 0.000 1.048 182 K CA 2.104 58.178 56.287 -0.355 0.000 0.926 182 K CB -0.228 31.940 32.500 -0.553 0.000 0.714 182 K HN 0.246 nan 8.250 nan 0.000 0.448 183 Y N 0.195 120.391 120.300 -0.174 0.000 2.286 183 Y HA -0.046 4.503 4.550 -0.001 0.000 0.293 183 Y C 2.062 177.863 175.900 -0.165 0.000 1.124 183 Y CA 1.196 59.237 58.100 -0.098 0.000 1.178 183 Y CB -0.633 37.753 38.460 -0.123 0.000 1.010 183 Y HN 0.272 nan 8.280 nan 0.000 0.536 184 D N 0.502 120.725 120.400 -0.295 0.000 2.149 184 D HA -0.184 4.456 4.640 -0.001 0.000 0.198 184 D C 1.483 177.791 176.300 0.013 0.000 0.990 184 D CA 1.505 55.438 54.000 -0.111 0.000 0.839 184 D CB -0.003 40.762 40.800 -0.058 0.000 0.948 184 D HN 0.407 nan 8.370 nan 0.000 0.460 185 E N -0.807 119.390 120.200 -0.006 0.000 2.418 185 E HA -0.026 4.324 4.350 -0.001 0.000 0.197 185 E C 0.572 177.199 176.600 0.045 0.000 1.026 185 E CA -0.099 56.313 56.400 0.019 0.000 0.862 185 E CB 0.072 29.769 29.700 -0.005 0.000 0.799 185 E HN 0.401 nan 8.360 nan 0.000 0.518 186 M N 1.296 120.952 119.600 0.094 0.000 2.277 186 M HA 0.122 4.601 4.480 -0.001 0.000 0.350 186 M C 0.073 176.503 176.300 0.216 0.000 1.180 186 M CA -0.339 55.044 55.300 0.139 0.000 1.103 186 M CB 1.003 33.714 32.600 0.186 0.000 1.577 186 M HN -0.091 nan 8.290 nan 0.000 0.459 187 S N 3.358 119.158 115.700 0.165 0.000 2.693 187 S HA 0.278 4.747 4.470 -0.001 0.000 0.276 187 S C 0.704 175.503 174.600 0.331 0.000 1.192 187 S CA -0.662 57.658 58.200 0.200 0.000 0.994 187 S CB 0.566 63.830 63.200 0.106 0.000 1.012 187 S HN 0.732 nan 8.310 nan 0.000 0.550 188 Y N 1.565 121.979 120.300 0.190 0.000 2.145 188 Y HA -0.105 4.444 4.550 -0.001 0.000 0.286 188 Y C 3.245 179.212 175.900 0.111 0.000 1.145 188 Y CA 1.326 59.554 58.100 0.213 0.000 1.148 188 Y CB -1.423 37.122 38.460 0.140 0.000 0.981 188 Y HN 0.899 nan 8.280 nan 0.000 0.507 189 S N -0.591 115.256 115.700 0.244 0.000 2.406 189 S HA -0.141 4.329 4.470 -0.001 0.000 0.228 189 S C 1.730 176.371 174.600 0.068 0.000 1.020 189 S CA 1.093 59.370 58.200 0.128 0.000 0.965 189 S CB -0.434 62.824 63.200 0.096 0.000 0.798 189 S HN 0.519 nan 8.310 nan 0.000 0.488 190 E N 0.992 121.228 120.200 0.060 0.000 2.077 190 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 190 E C 2.320 178.884 176.600 -0.061 0.000 0.989 190 E CA 1.190 57.593 56.400 0.006 0.000 0.800 190 E CB -0.135 29.572 29.700 0.012 0.000 0.746 190 E HN 0.385 nan 8.360 nan 0.000 0.452 191 R N 1.275 121.702 120.500 -0.122 0.000 2.066 191 R HA -0.074 4.265 4.340 -0.001 0.000 0.232 191 R C 2.015 178.229 176.300 -0.143 0.000 1.131 191 R CA 1.262 57.160 56.100 -0.337 0.000 0.955 191 R CB -0.665 29.086 30.300 -0.915 0.000 0.851 191 R HN 0.155 nan 8.270 nan 0.000 0.432 192 I N 0.925 121.502 120.570 0.012 0.000 2.264 192 I HA -0.292 3.878 4.170 -0.001 0.000 0.248 192 I C 1.422 177.534 176.117 -0.008 0.000 1.111 192 I CA 1.657 62.972 61.300 0.026 0.000 1.382 192 I CB -0.361 37.655 38.000 0.027 0.000 1.060 192 I HN 0.200 nan 8.210 nan 0.000 0.418 193 D N 0.336 120.729 120.400 -0.012 0.000 2.218 193 D HA -0.199 4.440 4.640 -0.001 0.000 0.204 193 D C 2.170 178.454 176.300 -0.028 0.000 0.976 193 D CA 1.068 55.060 54.000 -0.014 0.000 0.853 193 D CB -0.181 40.614 40.800 -0.009 0.000 0.939 193 D HN 0.451 nan 8.370 nan 0.000 0.481 194 Q N -0.580 119.190 119.800 -0.050 0.000 2.297 194 Q HA -0.020 4.319 4.340 -0.001 0.000 0.204 194 Q C 1.766 177.735 176.000 -0.051 0.000 0.962 194 Q CA 0.747 56.515 55.803 -0.058 0.000 0.879 194 Q CB 0.276 28.959 28.738 -0.092 0.000 0.947 194 Q HN 0.482 nan 8.270 nan 0.000 0.462 195 I N -5.107 115.436 120.570 -0.045 0.000 4.442 195 I HA 0.190 4.359 4.170 -0.001 0.000 0.331 195 I C 1.658 177.762 176.117 -0.022 0.000 1.364 195 I CA -0.418 60.860 61.300 -0.037 0.000 1.207 195 I CB 0.113 38.086 38.000 -0.044 0.000 1.298 195 I HN -0.166 nan 8.210 nan 0.000 0.463 196 R N 1.950 122.438 120.500 -0.019 0.000 2.159 196 R HA -0.250 4.089 4.340 -0.001 0.000 0.252 196 R C 1.069 177.362 176.300 -0.011 0.000 1.144 196 R CA 2.719 58.811 56.100 -0.013 0.000 0.961 196 R CB -0.292 30.002 30.300 -0.009 0.000 0.877 196 R HN 0.401 nan 8.270 nan 0.000 0.444 197 D N -0.182 120.211 120.400 -0.011 0.000 2.363 197 D HA -0.050 4.589 4.640 -0.001 0.000 0.220 197 D C 0.964 177.259 176.300 -0.008 0.000 0.994 197 D CA 0.649 54.644 54.000 -0.008 0.000 0.890 197 D CB 0.172 40.967 40.800 -0.008 0.000 0.906 197 D HN 0.320 nan 8.370 nan 0.000 0.530 198 E N -0.187 120.007 120.200 -0.009 0.000 2.474 198 E HA 0.126 4.475 4.350 -0.001 0.000 0.195 198 E C 0.259 176.854 176.600 -0.009 0.000 1.039 198 E CA -0.028 56.368 56.400 -0.007 0.000 0.881 198 E CB 0.970 30.667 29.700 -0.004 0.000 0.970 198 E HN 0.288 nan 8.360 nan 0.000 0.486 199 L N 1.702 122.917 121.223 -0.013 0.000 2.307 199 L HA 0.200 4.539 4.340 -0.001 0.000 0.284 199 L C 0.673 177.533 176.870 -0.016 0.000 1.023 199 L CA -0.638 54.190 54.840 -0.020 0.000 0.810 199 L CB 1.614 43.655 42.059 -0.030 0.000 1.231 199 L HN -0.067 nan 8.230 nan 0.000 0.423 200 S N 2.109 117.799 115.700 -0.018 0.000 2.614 200 S HA 0.143 4.612 4.470 -0.001 0.000 0.265 200 S C 0.916 175.511 174.600 -0.009 0.000 1.303 200 S CA -0.675 57.518 58.200 -0.013 0.000 1.000 200 S CB 1.210 64.401 63.200 -0.014 0.000 0.935 200 S HN 0.578 nan 8.310 nan 0.000 0.551 201 L N 1.620 122.842 121.223 -0.001 0.000 1.990 201 L HA -0.127 4.212 4.340 -0.001 0.000 0.213 201 L C 1.938 178.817 176.870 0.014 0.000 1.072 201 L CA 2.060 56.908 54.840 0.012 0.000 0.755 201 L CB -1.499 40.569 42.059 0.014 0.000 0.889 201 L HN 0.767 nan 8.230 nan 0.000 0.432 202 N N -0.480 118.223 118.700 0.004 0.000 2.289 202 N HA -0.183 4.556 4.740 -0.001 0.000 0.184 202 N C 1.787 177.300 175.510 0.005 0.000 1.016 202 N CA 1.302 54.358 53.050 0.010 0.000 0.872 202 N CB -0.052 38.437 38.487 0.002 0.000 0.973 202 N HN 0.637 nan 8.380 nan 0.000 0.433 203 E N 0.225 120.415 120.200 -0.017 0.000 2.127 203 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 203 E C 1.976 178.530 176.600 -0.076 0.000 0.964 203 E CA 0.005 56.375 56.400 -0.050 0.000 0.832 203 E CB 0.253 29.924 29.700 -0.048 0.000 0.790 203 E HN 0.118 nan 8.360 nan 0.000 0.465 204 R N 0.211 120.675 120.500 -0.060 0.000 2.075 204 R HA -0.066 4.273 4.340 -0.001 0.000 0.232 204 R C 2.306 178.556 176.300 -0.084 0.000 1.126 204 R CA 1.648 57.703 56.100 -0.075 0.000 0.963 204 R CB -0.043 30.241 30.300 -0.028 0.000 0.858 204 R HN 0.064 nan 8.270 nan 0.000 0.435 205 S N 0.007 115.701 115.700 -0.011 0.000 2.356 205 S HA -0.113 4.356 4.470 -0.001 0.000 0.223 205 S C 1.967 176.478 174.600 -0.148 0.000 1.032 205 S CA 1.556 59.768 58.200 0.019 0.000 1.005 205 S CB -0.157 63.132 63.200 0.148 0.000 0.867 205 S HN 0.330 nan 8.310 nan 0.000 0.449 206 S N 1.610 117.270 115.700 -0.067 0.000 2.353 206 S HA -0.085 4.384 4.470 -0.001 0.000 0.222 206 S C 1.869 176.381 174.600 -0.148 0.000 1.035 206 S CA 1.255 59.421 58.200 -0.057 0.000 1.025 206 S CB -0.573 62.600 63.200 -0.044 0.000 0.902 206 S HN 0.377 nan 8.310 nan 0.000 0.440 207 L N 1.973 123.059 121.223 -0.228 0.000 2.012 207 L HA -0.134 4.205 4.340 -0.001 0.000 0.210 207 L C 2.095 178.704 176.870 -0.435 0.000 1.073 207 L CA 1.904 56.536 54.840 -0.346 0.000 0.748 207 L CB -0.764 41.041 42.059 -0.424 0.000 0.891 207 L HN 0.282 nan 8.230 nan 0.000 0.431 208 E N -0.429 119.495 120.200 -0.460 0.000 2.051 208 E HA -0.221 4.128 4.350 -0.001 0.000 0.192 208 E C 2.179 178.422 176.600 -0.596 0.000 0.991 208 E CA 1.149 57.231 56.400 -0.531 0.000 0.799 208 E CB -0.363 29.080 29.700 -0.428 0.000 0.748 208 E HN 0.675 nan 8.360 nan 0.000 0.449 209 A N 0.966 123.343 122.820 -0.740 0.000 1.908 209 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 209 A C 1.976 179.493 177.584 -0.112 0.000 1.181 209 A CA 1.297 53.088 52.037 -0.409 0.000 0.627 209 A CB -0.728 18.166 19.000 -0.176 0.000 0.818 209 A HN 0.333 nan 8.150 nan 0.000 0.445 210 F N 1.277 121.108 119.950 -0.199 0.000 2.113 210 F HA -0.116 4.411 4.527 -0.001 0.000 0.297 210 F C 2.076 177.737 175.800 -0.232 0.000 1.103 210 F CA 1.777 59.691 58.000 -0.143 0.000 1.248 210 F CB -0.225 38.732 39.000 -0.072 0.000 0.999 210 F HN 0.343 nan 8.300 nan 0.000 0.475 211 I N -1.597 118.743 120.570 -0.384 0.000 2.439 211 I HA -0.166 4.003 4.170 -0.001 0.000 0.251 211 I C 1.906 177.868 176.117 -0.258 0.000 1.139 211 I CA 1.328 62.268 61.300 -0.601 0.000 1.438 211 I CB -0.812 36.410 38.000 -1.298 0.000 1.085 211 I HN 0.163 nan 8.210 nan 0.000 0.427 212 L N 0.646 121.767 121.223 -0.169 0.000 2.093 212 L HA -0.133 4.206 4.340 -0.001 0.000 0.208 212 L C 2.651 179.454 176.870 -0.112 0.000 1.085 212 L CA 0.953 55.764 54.840 -0.049 0.000 0.755 212 L CB -0.557 41.516 42.059 0.023 0.000 0.904 212 L HN 0.349 nan 8.230 nan 0.000 0.435 213 L N -0.526 120.572 121.223 -0.209 0.000 2.081 213 L HA -0.250 4.089 4.340 -0.001 0.000 0.212 213 L C 2.398 179.120 176.870 -0.248 0.000 1.080 213 L CA 1.856 56.526 54.840 -0.283 0.000 0.754 213 L CB -0.512 41.176 42.059 -0.618 0.000 0.893 213 L HN 0.244 nan 8.230 nan 0.000 0.433 214 C N -0.915 118.158 119.300 -0.379 0.000 2.475 214 C HA -0.014 4.446 4.460 -0.001 0.000 0.279 214 C C 3.067 177.805 174.990 -0.419 0.000 1.322 214 C CA 0.845 59.605 59.018 -0.431 0.000 1.734 214 C CB -1.054 26.367 27.740 -0.532 0.000 2.005 214 C HN 0.817 nan 8.230 nan 0.000 0.495 215 S N -0.182 115.134 115.700 -0.640 0.000 2.470 215 S HA 0.256 4.726 4.470 -0.001 0.000 0.222 215 S C 1.724 176.092 174.600 -0.387 0.000 1.024 215 S CA 1.319 58.817 58.200 -1.170 0.000 0.931 215 S CB -0.412 61.979 63.200 -1.349 0.000 0.791 215 S HN 1.010 nan 8.310 nan 0.000 0.513 216 G N 0.674 109.384 108.800 -0.150 0.000 2.175 216 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.265 216 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.265 216 G C 0.569 175.382 174.900 -0.144 0.000 0.979 216 G CA 0.547 45.549 45.100 -0.163 0.000 0.663 216 G HN 1.098 nan 8.290 nan 0.000 0.533 217 G N -1.116 107.583 108.800 -0.168 0.000 3.134 217 G HA2 0.798 4.757 3.960 -0.001 0.000 0.158 217 G HA3 0.798 4.757 3.960 -0.001 0.000 0.158 217 G C 0.331 175.185 174.900 -0.077 0.000 1.334 217 G CA 0.957 45.976 45.100 -0.135 0.000 1.001 217 G HN 1.363 nan 8.290 nan 0.000 0.600 218 T N -1.983 112.521 114.554 -0.083 0.000 2.940 218 T HA 0.481 4.831 4.350 -0.001 0.000 0.288 218 T C 1.362 176.048 174.700 -0.023 0.000 1.045 218 T CA -0.706 61.380 62.100 -0.023 0.000 1.018 218 T CB 1.523 70.382 68.868 -0.015 0.000 1.151 218 T HN 0.147 nan 8.240 nan 0.000 0.529 219 L N -0.005 121.260 121.223 0.070 0.000 2.131 219 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 219 L C 2.482 179.400 176.870 0.079 0.000 1.092 219 L CA 1.386 56.312 54.840 0.144 0.000 0.759 219 L CB -0.566 41.591 42.059 0.163 0.000 0.903 219 L HN 0.682 nan 8.230 nan 0.000 0.435 220 E N -0.046 120.174 120.200 0.032 0.000 2.299 220 E HA -0.105 4.244 4.350 -0.001 0.000 0.193 220 E C 1.519 178.114 176.600 -0.009 0.000 0.998 220 E CA 0.691 57.104 56.400 0.021 0.000 0.851 220 E CB -0.098 29.611 29.700 0.015 0.000 0.795 220 E HN 0.534 nan 8.360 nan 0.000 0.492 221 N N -0.922 117.749 118.700 -0.048 0.000 2.205 221 N HA 0.049 4.788 4.740 -0.001 0.000 0.201 221 N C -0.384 175.064 175.510 -0.104 0.000 1.128 221 N CA -0.067 52.947 53.050 -0.061 0.000 0.867 221 N CB 0.381 38.835 38.487 -0.055 0.000 0.996 221 N HN -0.220 nan 8.380 nan 0.000 0.503 222 S N 0.284 115.839 115.700 -0.241 0.000 2.537 222 S HA 0.250 4.719 4.470 -0.001 0.000 0.275 222 S C -0.191 174.257 174.600 -0.253 0.000 1.272 222 S CA -0.740 57.220 58.200 -0.401 0.000 1.050 222 S CB 1.162 63.647 63.200 -1.193 0.000 0.961 222 S HN 0.351 nan 8.310 nan 0.000 0.496 223 S N 2.702 118.441 115.700 0.065 0.000 2.505 223 S HA 0.174 4.643 4.470 -0.001 0.000 0.276 223 S C 0.860 175.713 174.600 0.423 0.000 1.274 223 S CA -0.663 57.636 58.200 0.164 0.000 1.053 223 S CB -0.171 63.059 63.200 0.050 0.000 0.919 223 S HN 0.616 nan 8.310 nan 0.000 0.490 224 F N 5.743 125.909 119.950 0.359 0.000 2.075 224 F HA 0.099 4.625 4.527 -0.001 0.000 0.297 224 F C 2.125 178.144 175.800 0.364 0.000 1.113 224 F CA 2.140 60.421 58.000 0.468 0.000 1.218 224 F CB -1.109 38.037 39.000 0.243 0.000 0.984 224 F HN 0.701 nan 8.300 nan 0.000 0.472 225 G N -0.513 108.286 108.800 -0.003 0.000 2.469 225 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.220 225 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.220 225 G C 1.487 176.461 174.900 0.123 0.000 1.136 225 G CA 1.182 46.221 45.100 -0.102 0.000 0.759 225 G HN 0.464 nan 8.290 nan 0.000 0.562 226 E N -0.282 119.970 120.200 0.086 0.000 2.106 226 E HA -0.063 4.286 4.350 -0.001 0.000 0.192 226 E C 1.942 178.600 176.600 0.097 0.000 0.984 226 E CA 0.540 56.904 56.400 -0.060 0.000 0.806 226 E CB -0.444 28.880 29.700 -0.627 0.000 0.750 226 E HN 0.397 nan 8.360 nan 0.000 0.458 227 F N 0.570 120.657 119.950 0.229 0.000 2.134 227 F HA -0.128 4.399 4.527 -0.001 0.000 0.299 227 F C 1.809 177.716 175.800 0.178 0.000 1.097 227 F CA 1.325 59.472 58.000 0.245 0.000 1.264 227 F CB -0.157 39.068 39.000 0.376 0.000 1.001 227 F HN 0.039 nan 8.300 nan 0.000 0.479 228 L N -0.416 120.834 121.223 0.045 0.000 2.043 228 L HA -0.331 4.008 4.340 -0.001 0.000 0.212 228 L C 2.506 179.421 176.870 0.075 0.000 1.075 228 L CA 2.065 56.904 54.840 -0.003 0.000 0.752 228 L CB -0.999 41.020 42.059 -0.068 0.000 0.891 228 L HN 0.302 nan 8.230 nan 0.000 0.432 229 H N -1.259 117.829 119.070 0.029 0.000 2.352 229 H HA -0.239 4.316 4.556 -0.001 0.000 0.299 229 H C 1.910 177.193 175.328 -0.076 0.000 1.097 229 H CA 2.250 58.265 56.048 -0.055 0.000 1.311 229 H CB -0.043 29.725 29.762 0.009 0.000 1.377 229 H HN 0.224 nan 8.280 nan 0.000 0.504 230 W N 0.266 121.483 121.300 -0.138 0.000 2.381 230 W HA -0.164 4.495 4.660 -0.001 0.000 0.301 230 W C 2.585 178.882 176.519 -0.370 0.000 1.205 230 W CA 0.883 58.101 57.345 -0.212 0.000 1.285 230 W CB -1.270 28.186 29.460 -0.006 0.000 1.133 230 W HN 0.403 nan 8.180 nan 0.000 0.521 231 W N 1.160 122.255 121.300 -0.341 0.000 2.333 231 W HA -0.252 4.407 4.660 -0.001 0.000 0.316 231 W C 2.065 178.245 176.519 -0.566 0.000 1.215 231 W CA 2.851 59.971 57.345 -0.376 0.000 1.278 231 W CB -0.926 28.346 29.460 -0.313 0.000 1.154 231 W HN -0.099 nan 8.180 nan 0.000 0.486 232 A N 1.081 123.520 122.820 -0.636 0.000 1.873 232 A HA -0.289 4.030 4.320 -0.001 0.000 0.218 232 A C 1.982 178.849 177.584 -1.195 0.000 1.193 232 A CA 2.555 53.729 52.037 -1.438 0.000 0.629 232 A CB -1.176 17.262 19.000 -0.936 0.000 0.826 232 A HN 0.299 nan 8.150 nan 0.000 0.447 233 M N 0.251 119.238 119.600 -1.021 0.000 2.202 233 M HA -0.095 4.385 4.480 -0.001 0.000 0.262 233 M C 2.012 177.842 176.300 -0.783 0.000 1.063 233 M CA 1.656 56.252 55.300 -1.173 0.000 1.097 233 M CB -1.559 29.826 32.600 -2.025 0.000 1.382 233 M HN 0.393 nan 8.290 nan 0.000 0.413 234 S N -0.807 114.541 115.700 -0.587 0.000 2.562 234 S HA 0.260 4.729 4.470 -0.001 0.000 0.221 234 S C 1.398 175.783 174.600 -0.359 0.000 0.975 234 S CA 0.728 58.770 58.200 -0.264 0.000 0.918 234 S CB 0.154 63.225 63.200 -0.214 0.000 0.772 234 S HN 0.740 nan 8.310 nan 0.000 0.531 235 G N 0.514 109.005 108.800 -0.515 0.000 2.143 235 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.175 235 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.175 235 G C 0.170 174.891 174.900 -0.298 0.000 1.004 235 G CA -0.356 44.549 45.100 -0.326 0.000 0.671 235 G HN 0.404 nan 8.290 nan 0.000 0.512 236 Y N -1.069 118.734 120.300 -0.829 0.000 3.929 236 Y HA -0.255 4.294 4.550 -0.001 0.000 0.225 236 Y C 1.175 176.293 175.900 -1.302 0.000 1.200 236 Y CA 1.936 59.281 58.100 -1.259 0.000 1.791 236 Y CB -2.387 35.812 38.460 -0.434 0.000 1.561 236 Y HN 1.253 nan 8.280 nan 0.000 0.657 237 T N -5.552 108.274 114.554 -1.214 0.000 2.900 237 T HA 0.441 4.790 4.350 -0.001 0.000 0.303 237 T C 0.282 174.647 174.700 -0.557 0.000 1.142 237 T CA -0.490 61.188 62.100 -0.703 0.000 1.007 237 T CB 1.506 70.224 68.868 -0.251 0.000 1.156 237 T HN 0.035 nan 8.240 nan 0.000 0.490 238 Y N 1.627 121.856 120.300 -0.117 0.000 2.081 238 Y HA -0.178 4.371 4.550 -0.001 0.000 0.280 238 Y C 2.678 178.512 175.900 -0.110 0.000 1.163 238 Y CA 2.457 60.566 58.100 0.015 0.000 1.135 238 Y CB -0.425 38.051 38.460 0.027 0.000 0.970 238 Y HN 0.770 nan 8.280 nan 0.000 0.498 239 Q N 0.273 119.913 119.800 -0.266 0.000 2.096 239 Q HA -0.075 4.264 4.340 -0.001 0.000 0.204 239 Q C 2.488 178.273 176.000 -0.357 0.000 0.982 239 Q CA 2.000 57.588 55.803 -0.359 0.000 0.850 239 Q CB -1.192 27.439 28.738 -0.178 0.000 0.901 239 Q HN 0.578 nan 8.270 nan 0.000 0.422 240 G N -0.508 108.106 108.800 -0.309 0.000 2.446 240 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.217 240 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.217 240 G C 1.658 176.355 174.900 -0.339 0.000 1.168 240 G CA 1.080 45.985 45.100 -0.324 0.000 0.771 240 G HN 0.499 nan 8.290 nan 0.000 0.551 241 C N 0.405 119.536 119.300 -0.282 0.000 2.429 241 C HA -0.008 4.452 4.460 -0.001 0.000 0.277 241 C C 2.986 177.859 174.990 -0.196 0.000 1.262 241 C CA 0.972 59.919 59.018 -0.118 0.000 1.733 241 C CB -0.636 27.212 27.740 0.181 0.000 2.010 241 C HN 0.373 nan 8.230 nan 0.000 0.483 242 M N 0.742 120.108 119.600 -0.390 0.000 2.117 242 M HA -0.090 4.390 4.480 -0.001 0.000 0.262 242 M C 1.698 177.760 176.300 -0.395 0.000 1.065 242 M CA 1.608 56.673 55.300 -0.392 0.000 1.114 242 M CB -1.580 30.675 32.600 -0.576 0.000 1.361 242 M HN 0.361 nan 8.290 nan 0.000 0.408 243 D N -0.066 120.063 120.400 -0.451 0.000 2.092 243 D HA -0.135 4.505 4.640 -0.001 0.000 0.193 243 D C 2.151 178.080 176.300 -0.618 0.000 0.994 243 D CA 1.409 55.083 54.000 -0.542 0.000 0.828 243 D CB -0.386 40.041 40.800 -0.621 0.000 0.963 243 D HN 0.360 nan 8.370 nan 0.000 0.450 244 C N -0.008 118.906 119.300 -0.644 0.000 2.464 244 C HA 0.096 4.555 4.460 -0.001 0.000 0.278 244 C C 2.609 177.370 174.990 -0.383 0.000 1.375 244 C CA 0.102 58.759 59.018 -0.603 0.000 1.761 244 C CB -0.786 26.629 27.740 -0.541 0.000 1.944 244 C HN 0.324 nan 8.230 nan 0.000 0.509 245 L N -1.380 119.682 121.223 -0.269 0.000 2.556 245 L HA 0.293 4.632 4.340 -0.001 0.000 0.226 245 L C 1.706 178.391 176.870 -0.308 0.000 1.089 245 L CA 0.683 55.441 54.840 -0.136 0.000 0.864 245 L CB -0.085 41.968 42.059 -0.010 0.000 1.067 245 L HN 0.246 nan 8.230 nan 0.000 0.477 246 M N -1.822 117.427 119.600 -0.585 0.000 3.052 246 M HA 0.157 4.636 4.480 -0.001 0.000 0.469 246 M C 0.433 176.033 176.300 -1.166 0.000 1.392 246 M CA 0.108 54.617 55.300 -1.317 0.000 0.804 246 M CB 0.738 32.817 32.600 -0.868 0.000 1.610 246 M HN -0.076 nan 8.290 nan 0.000 0.556 247 S N -0.412 114.831 115.700 -0.761 0.000 2.510 247 S HA 0.251 4.721 4.470 -0.001 0.000 0.230 247 S C -0.538 173.734 174.600 -0.547 0.000 1.066 247 S CA 0.532 58.290 58.200 -0.738 0.000 0.941 247 S CB 0.425 62.883 63.200 -1.236 0.000 0.829 247 S HN 0.407 nan 8.310 nan 0.000 0.530 248 Y N 2.438 122.808 120.300 0.116 0.000 2.391 248 Y HA 0.594 5.143 4.550 -0.001 0.000 0.341 248 Y C -0.158 175.848 175.900 0.177 0.000 0.965 248 Y CA -1.646 56.533 58.100 0.132 0.000 1.067 248 Y CB 1.094 39.562 38.460 0.014 0.000 1.199 248 Y HN 0.049 nan 8.280 nan 0.000 0.450 249 K N 1.085 121.620 120.400 0.225 0.000 2.482 249 K HA 0.665 4.984 4.320 -0.001 0.000 0.257 249 K C -1.567 174.993 176.600 -0.066 0.000 0.969 249 K CA -0.863 55.419 56.287 -0.009 0.000 0.842 249 K CB 1.669 34.139 32.500 -0.049 0.000 1.359 249 K HN 0.290 nan 8.250 nan 0.000 0.441 250 F N 2.324 122.264 119.950 -0.016 0.000 2.538 250 F HA 0.125 4.651 4.527 -0.001 0.000 0.371 250 F C 1.799 177.568 175.800 -0.051 0.000 1.087 250 F CA 0.004 57.983 58.000 -0.035 0.000 1.250 250 F CB 0.899 39.873 39.000 -0.042 0.000 1.110 250 F HN 0.681 nan 8.300 nan 0.000 0.570 251 K N 0.974 121.456 120.400 0.137 0.000 2.063 251 K HA -0.178 4.142 4.320 -0.001 0.000 0.208 251 K C 0.691 177.287 176.600 -0.008 0.000 1.048 251 K CA 1.623 57.934 56.287 0.040 0.000 0.928 251 K CB 0.031 32.554 32.500 0.038 0.000 0.713 251 K HN 0.598 nan 8.250 nan 0.000 0.442 252 D N -0.695 119.722 120.400 0.028 0.000 2.340 252 D HA 0.142 4.781 4.640 -0.001 0.000 0.217 252 D C 0.143 176.423 176.300 -0.034 0.000 1.081 252 D CA 0.498 54.485 54.000 -0.022 0.000 0.842 252 D CB 0.757 41.548 40.800 -0.016 0.000 0.934 252 D HN 0.361 nan 8.370 nan 0.000 0.511 253 G N 0.985 109.789 108.800 0.007 0.000 2.712 253 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.686 253 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.686 253 G C 0.559 175.480 174.900 0.034 0.000 1.321 253 G CA -0.628 44.473 45.100 0.001 0.000 0.813 253 G HN -0.055 nan 8.290 nan 0.000 0.599 254 Q N 0.027 119.898 119.800 0.118 0.000 2.181 254 Q HA -0.103 4.237 4.340 -0.001 0.000 0.205 254 Q C 2.947 179.054 176.000 0.178 0.000 0.980 254 Q CA 2.000 57.926 55.803 0.206 0.000 0.862 254 Q CB -0.345 28.598 28.738 0.341 0.000 0.905 254 Q HN 0.636 nan 8.270 nan 0.000 0.429 255 S N 0.762 116.530 115.700 0.113 0.000 2.399 255 S HA -0.099 4.370 4.470 -0.001 0.000 0.231 255 S C 1.951 176.559 174.600 0.013 0.000 1.022 255 S CA 0.881 59.122 58.200 0.069 0.000 0.983 255 S CB -0.114 63.125 63.200 0.064 0.000 0.803 255 S HN 0.500 nan 8.310 nan 0.000 0.480 256 A N 0.676 123.484 122.820 -0.020 0.000 1.969 256 A HA -0.034 4.286 4.320 -0.001 0.000 0.218 256 A C 1.825 179.385 177.584 -0.039 0.000 1.169 256 A CA 1.079 53.086 52.037 -0.050 0.000 0.635 256 A CB -0.658 18.302 19.000 -0.066 0.000 0.810 256 A HN 0.496 nan 8.150 nan 0.000 0.445 257 F N 1.027 120.809 119.950 -0.279 0.000 2.113 257 F HA 0.029 4.556 4.527 -0.001 0.000 0.297 257 F C 2.523 178.448 175.800 0.209 0.000 1.103 257 F CA 0.812 58.680 58.000 -0.220 0.000 1.248 257 F CB -0.762 37.883 39.000 -0.592 0.000 0.999 257 F HN 0.242 nan 8.300 nan 0.000 0.475 258 A N 1.022 123.984 122.820 0.238 0.000 1.917 258 A HA -0.225 4.094 4.320 -0.001 0.000 0.219 258 A C 2.324 179.977 177.584 0.115 0.000 1.182 258 A CA 1.681 53.812 52.037 0.157 0.000 0.633 258 A CB -0.692 18.234 19.000 -0.123 0.000 0.819 258 A HN 0.321 nan 8.150 nan 0.000 0.448 259 R N -0.485 120.023 120.500 0.014 0.000 2.117 259 R HA -0.108 4.231 4.340 -0.001 0.000 0.243 259 R C 2.130 178.418 176.300 -0.019 0.000 1.143 259 R CA 1.247 57.352 56.100 0.008 0.000 0.968 259 R CB -0.699 29.577 30.300 -0.041 0.000 0.863 259 R HN 0.477 nan 8.270 nan 0.000 0.444 260 R N -0.086 120.272 120.500 -0.236 0.000 2.081 260 R HA -0.069 4.271 4.340 -0.001 0.000 0.235 260 R C 2.367 178.334 176.300 -0.554 0.000 1.131 260 R CA 1.203 56.914 56.100 -0.649 0.000 0.960 260 R CB -0.944 28.476 30.300 -1.466 0.000 0.856 260 R HN 0.281 nan 8.270 nan 0.000 0.436 261 F N -0.550 119.227 119.950 -0.288 0.000 2.134 261 F HA -0.202 4.324 4.527 -0.001 0.000 0.299 261 F C 2.552 178.383 175.800 0.052 0.000 1.097 261 F CA 0.950 58.952 58.000 0.003 0.000 1.264 261 F CB -0.493 38.544 39.000 0.061 0.000 1.001 261 F HN 0.165 nan 8.300 nan 0.000 0.479 262 W N 1.549 122.877 121.300 0.047 0.000 2.354 262 W HA -0.189 4.470 4.660 -0.001 0.000 0.315 262 W C 2.133 178.623 176.519 -0.048 0.000 1.206 262 W CA 1.525 58.855 57.345 -0.025 0.000 1.290 262 W CB -0.219 29.187 29.460 -0.089 0.000 1.152 262 W HN -0.040 nan 8.180 nan 0.000 0.489 263 E N 0.523 120.729 120.200 0.009 0.000 2.058 263 E HA -0.277 4.072 4.350 -0.001 0.000 0.194 263 E C 1.832 178.356 176.600 -0.128 0.000 0.997 263 E CA 1.901 58.250 56.400 -0.085 0.000 0.801 263 E CB -0.849 28.820 29.700 -0.050 0.000 0.746 263 E HN 0.512 nan 8.360 nan 0.000 0.450 264 E N 0.067 120.213 120.200 -0.090 0.000 2.077 264 E HA -0.171 4.178 4.350 -0.001 0.000 0.193 264 E C 1.922 178.481 176.600 -0.069 0.000 0.989 264 E CA 1.162 57.538 56.400 -0.040 0.000 0.800 264 E CB -0.054 29.674 29.700 0.048 0.000 0.746 264 E HN 0.193 nan 8.360 nan 0.000 0.452 265 A N 1.096 123.850 122.820 -0.111 0.000 1.898 265 A HA -0.052 4.267 4.320 -0.001 0.000 0.216 265 A C 2.397 179.844 177.584 -0.228 0.000 1.181 265 A CA 1.672 53.622 52.037 -0.145 0.000 0.620 265 A CB -0.757 18.146 19.000 -0.162 0.000 0.819 265 A HN 0.418 nan 8.150 nan 0.000 0.442 266 A N -0.383 122.204 122.820 -0.390 0.000 1.902 266 A HA 0.092 4.412 4.320 -0.001 0.000 0.217 266 A C 2.374 179.874 177.584 -0.141 0.000 1.181 266 A CA 1.881 53.720 52.037 -0.329 0.000 0.623 266 A CB -1.389 17.349 19.000 -0.437 0.000 0.818 266 A HN 0.796 nan 8.150 nan 0.000 0.443 267 G N -0.623 108.109 108.800 -0.113 0.000 2.498 267 G HA2 -0.141 3.818 3.960 -0.001 0.000 0.219 267 G HA3 -0.141 3.818 3.960 -0.001 0.000 0.219 267 G C 1.558 176.436 174.900 -0.038 0.000 1.119 267 G CA 1.794 46.860 45.100 -0.057 0.000 0.766 267 G HN 0.713 nan 8.290 nan 0.000 0.552 268 T N -2.485 112.045 114.554 -0.040 0.000 3.035 268 T HA 0.274 4.624 4.350 -0.001 0.000 0.268 268 T C 2.128 176.821 174.700 -0.010 0.000 1.109 268 T CA 1.023 63.112 62.100 -0.019 0.000 1.119 268 T CB -0.219 68.643 68.868 -0.009 0.000 0.900 268 T HN 1.264 nan 8.240 nan 0.000 0.503 269 G N 1.897 110.691 108.800 -0.010 0.000 2.168 269 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.263 269 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.263 269 G C 0.871 175.790 174.900 0.031 0.000 0.977 269 G CA 0.397 45.502 45.100 0.008 0.000 0.659 269 G HN 0.601 nan 8.290 nan 0.000 0.533 270 R N -1.096 119.428 120.500 0.039 0.000 2.468 270 R HA 0.389 4.728 4.340 -0.001 0.000 0.280 270 R C 0.370 176.756 176.300 0.142 0.000 0.963 270 R CA -0.305 55.846 56.100 0.085 0.000 1.083 270 R CB 0.499 30.843 30.300 0.073 0.000 1.200 270 R HN 0.339 nan 8.270 nan 0.000 0.541 271 L N 0.849 122.130 121.223 0.097 0.000 2.272 271 L HA 0.513 4.853 4.340 -0.001 0.000 0.289 271 L C -0.078 176.895 176.870 0.172 0.000 1.032 271 L CA -0.266 54.625 54.840 0.085 0.000 0.810 271 L CB 1.370 43.381 42.059 -0.081 0.000 1.205 271 L HN 0.023 nan 8.230 nan 0.000 0.422 272 G N 3.918 112.817 108.800 0.164 0.000 2.441 272 G HA2 0.610 4.570 3.960 -0.001 0.000 0.334 272 G HA3 0.610 4.570 3.960 -0.001 0.000 0.334 272 G C -1.849 173.059 174.900 0.013 0.000 1.161 272 G CA -0.400 44.729 45.100 0.049 0.000 0.935 272 G HN 0.738 nan 8.290 nan 0.000 0.488 273 Y N -1.830 118.430 120.300 -0.066 0.000 2.558 273 Y HA 0.653 5.202 4.550 -0.001 0.000 0.333 273 Y C -1.299 174.551 175.900 -0.084 0.000 1.125 273 Y CA -1.613 56.449 58.100 -0.063 0.000 1.039 273 Y CB 1.459 40.107 38.460 0.313 0.000 1.331 273 Y HN 0.445 nan 8.280 nan 0.000 0.456 274 V N 3.996 123.831 119.914 -0.132 0.000 2.482 274 V HA 0.461 4.580 4.120 -0.001 0.000 0.295 274 V C -0.893 175.045 176.094 -0.260 0.000 1.026 274 V CA -0.751 61.477 62.300 -0.120 0.000 0.856 274 V CB 0.963 32.651 31.823 -0.226 0.000 1.001 274 V HN 0.726 nan 8.190 nan 0.000 0.424 275 F N 1.742 121.703 119.950 0.018 0.000 2.403 275 F HA 0.713 5.239 4.527 -0.001 0.000 0.326 275 F C 1.331 177.088 175.800 -0.073 0.000 1.081 275 F CA 0.475 58.435 58.000 -0.068 0.000 1.041 275 F CB 1.732 40.678 39.000 -0.090 0.000 1.234 275 F HN 0.741 nan 8.300 nan 0.000 0.503 276 G N 0.478 109.310 108.800 0.052 0.000 2.160 276 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.244 276 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.244 276 G C -0.422 174.467 174.900 -0.018 0.000 1.022 276 G CA -0.103 45.003 45.100 0.010 0.000 0.741 276 G HN 0.907 nan 8.290 nan 0.000 0.508 277 C N 2.363 121.610 119.300 -0.088 0.000 3.335 277 C HA 0.596 5.056 4.460 -0.001 0.000 0.217 277 C C -1.907 173.013 174.990 -0.117 0.000 1.330 277 C CA -1.992 56.981 59.018 -0.075 0.000 1.470 277 C CB 0.111 27.787 27.740 -0.106 0.000 1.806 277 C HN 0.407 nan 8.230 nan 0.000 0.468 278 P HA 0.181 nan 4.420 nan 0.000 0.276 278 P C -0.164 177.145 177.300 0.015 0.000 1.230 278 P CA 0.454 63.526 63.100 -0.046 0.000 0.776 278 P CB 1.133 32.913 31.700 0.133 0.000 0.888 279 V N 4.950 124.864 119.914 0.001 0.000 2.686 279 V HA 0.235 4.354 4.120 -0.001 0.000 0.295 279 V C 1.884 177.990 176.094 0.020 0.000 1.057 279 V CA -0.053 62.250 62.300 0.005 0.000 1.012 279 V CB 1.450 33.256 31.823 -0.028 0.000 1.006 279 V HN 0.668 nan 8.190 nan 0.000 0.477 280 R N 1.922 122.421 120.500 -0.001 0.000 2.342 280 R HA 0.264 4.603 4.340 -0.001 0.000 0.204 280 R C 0.317 176.564 176.300 -0.089 0.000 0.882 280 R CA 0.370 56.460 56.100 -0.016 0.000 1.041 280 R CB 0.966 31.271 30.300 0.009 0.000 1.188 280 R HN 0.607 nan 8.270 nan 0.000 0.598 281 S N 0.118 115.753 115.700 -0.108 0.000 2.546 281 S HA 0.592 5.061 4.470 -0.001 0.000 0.272 281 S C -1.658 172.845 174.600 -0.162 0.000 1.140 281 S CA -0.488 57.618 58.200 -0.156 0.000 0.920 281 S CB 2.046 65.205 63.200 -0.068 0.000 1.083 281 S HN 0.007 nan 8.310 nan 0.000 0.476 282 V N 4.264 124.029 119.914 -0.250 0.000 2.524 282 V HA 0.593 4.713 4.120 -0.001 0.000 0.297 282 V C -0.818 175.305 176.094 0.050 0.000 1.035 282 V CA -0.655 61.592 62.300 -0.088 0.000 0.867 282 V CB 1.540 33.339 31.823 -0.041 0.000 1.004 282 V HN 0.653 nan 8.190 nan 0.000 0.426 283 V N 3.670 123.631 119.914 0.077 0.000 2.540 283 V HA 0.411 4.530 4.120 -0.001 0.000 0.302 283 V C 0.002 176.156 176.094 0.099 0.000 1.035 283 V CA -0.845 61.515 62.300 0.101 0.000 0.873 283 V CB 2.108 33.968 31.823 0.061 0.000 0.992 283 V HN 0.909 nan 8.190 nan 0.000 0.428 284 N N 3.390 122.151 118.700 0.102 0.000 2.401 284 N HA 0.293 5.033 4.740 -0.001 0.000 0.255 284 N C -0.123 175.411 175.510 0.041 0.000 1.110 284 N CA -0.249 52.836 53.050 0.059 0.000 0.949 284 N CB 1.309 39.808 38.487 0.020 0.000 1.110 284 N HN 0.708 nan 8.380 nan 0.000 0.490 285 E N 0.909 121.131 120.200 0.037 0.000 3.552 285 E HA 0.321 4.670 4.350 -0.001 0.000 0.264 285 E C -0.084 176.529 176.600 0.022 0.000 1.170 285 E CA -0.719 55.699 56.400 0.030 0.000 1.313 285 E CB 0.721 30.441 29.700 0.033 0.000 1.522 285 E HN 0.250 nan 8.360 nan 0.000 0.653 286 R N 2.140 122.652 120.500 0.021 0.000 2.288 286 R HA 0.033 4.372 4.340 -0.001 0.000 0.330 286 R C -1.031 175.280 176.300 0.019 0.000 1.069 286 R CA 0.159 56.269 56.100 0.017 0.000 0.941 286 R CB -0.335 29.974 30.300 0.016 0.000 0.998 286 R HN 0.486 nan 8.270 nan 0.000 0.452 287 D N 1.207 121.617 120.400 0.016 0.000 2.740 287 D HA -0.234 4.405 4.640 -0.001 0.000 0.231 287 D C -0.527 175.789 176.300 0.027 0.000 1.194 287 D CA 1.655 55.666 54.000 0.019 0.000 0.673 287 D CB -0.501 40.310 40.800 0.019 0.000 0.995 287 D HN 0.748 nan 8.370 nan 0.000 0.411 288 A N -1.222 121.615 122.820 0.029 0.000 2.481 288 A HA 0.779 5.098 4.320 -0.001 0.000 0.295 288 A C -1.644 175.967 177.584 0.044 0.000 0.986 288 A CA -0.136 51.926 52.037 0.041 0.000 0.617 288 A CB 0.841 19.870 19.000 0.048 0.000 1.364 288 A HN 0.934 nan 8.150 nan 0.000 0.452 289 A N 0.306 123.160 122.820 0.056 0.000 2.486 289 A HA 0.848 5.167 4.320 -0.001 0.000 0.300 289 A C -0.517 177.111 177.584 0.072 0.000 1.048 289 A CA -0.381 51.693 52.037 0.061 0.000 0.696 289 A CB 1.325 20.361 19.000 0.060 0.000 1.278 289 A HN 1.210 nan 8.150 nan 0.000 0.405 290 R N 1.787 122.327 120.500 0.068 0.000 2.294 290 R HA 0.624 4.963 4.340 -0.001 0.000 0.319 290 R C -1.621 174.719 176.300 0.068 0.000 0.984 290 R CA -0.282 55.860 56.100 0.071 0.000 0.861 290 R CB 1.215 31.545 30.300 0.051 0.000 1.104 290 R HN 0.477 nan 8.270 nan 0.000 0.451 291 V N 4.214 124.187 119.914 0.099 0.000 2.357 291 V HA 0.314 4.433 4.120 -0.001 0.000 0.284 291 V C -0.360 175.818 176.094 0.139 0.000 1.018 291 V CA -0.588 61.767 62.300 0.092 0.000 0.841 291 V CB 1.774 33.645 31.823 0.081 0.000 0.991 291 V HN 0.832 nan 8.190 nan 0.000 0.437 292 T N 4.423 119.020 114.554 0.071 0.000 2.758 292 T HA 0.687 5.037 4.350 -0.001 0.000 0.285 292 T C 0.396 175.140 174.700 0.073 0.000 0.981 292 T CA -0.216 61.923 62.100 0.065 0.000 0.965 292 T CB 1.629 70.507 68.868 0.016 0.000 0.927 292 T HN 0.875 nan 8.240 nan 0.000 0.448 293 A N 3.002 125.894 122.820 0.120 0.000 2.327 293 A HA 0.350 4.669 4.320 -0.001 0.000 0.255 293 A C 1.610 179.229 177.584 0.059 0.000 1.099 293 A CA -0.322 51.777 52.037 0.104 0.000 0.801 293 A CB 0.266 19.367 19.000 0.168 0.000 1.062 293 A HN 0.934 nan 8.150 nan 0.000 0.496 294 R N -0.296 120.240 120.500 0.059 0.000 2.081 294 R HA -0.143 4.196 4.340 -0.001 0.000 0.235 294 R C 0.962 177.287 176.300 0.042 0.000 1.131 294 R CA 1.800 57.932 56.100 0.053 0.000 0.960 294 R CB -0.304 30.039 30.300 0.071 0.000 0.856 294 R HN 0.935 nan 8.270 nan 0.000 0.436 295 D N -1.301 119.126 120.400 0.045 0.000 2.371 295 D HA 0.020 4.659 4.640 -0.001 0.000 0.234 295 D C 1.104 177.414 176.300 0.016 0.000 1.049 295 D CA 0.907 54.927 54.000 0.032 0.000 0.907 295 D CB 0.213 41.036 40.800 0.037 0.000 0.891 295 D HN 0.344 nan 8.370 nan 0.000 0.531 296 G N 0.024 108.831 108.800 0.013 0.000 2.258 296 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.233 296 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.233 296 G C 0.414 175.290 174.900 -0.040 0.000 1.006 296 G CA -0.140 44.955 45.100 -0.009 0.000 0.620 296 G HN 0.446 nan 8.290 nan 0.000 0.511 297 R N 1.383 121.852 120.500 -0.052 0.000 2.566 297 R HA 0.311 4.650 4.340 -0.001 0.000 0.273 297 R C -0.031 176.104 176.300 -0.275 0.000 0.981 297 R CA 0.715 56.703 56.100 -0.186 0.000 1.091 297 R CB 0.288 30.481 30.300 -0.178 0.000 0.924 297 R HN 0.535 nan 8.270 nan 0.000 0.411 298 E N 1.789 121.714 120.200 -0.457 0.000 2.212 298 E HA 0.399 4.748 4.350 -0.001 0.000 0.268 298 E C -1.248 174.980 176.600 -0.621 0.000 0.902 298 E CA -0.516 55.679 56.400 -0.342 0.000 0.779 298 E CB 1.287 30.892 29.700 -0.159 0.000 1.172 298 E HN 0.265 nan 8.360 nan 0.000 0.409 299 F N 1.107 121.063 119.950 0.009 0.000 2.569 299 F HA 0.440 4.966 4.527 -0.001 0.000 0.312 299 F C -0.608 175.221 175.800 0.047 0.000 1.109 299 F CA -0.938 57.076 58.000 0.023 0.000 0.919 299 F CB 1.500 40.459 39.000 -0.067 0.000 1.211 299 F HN 0.103 nan 8.300 nan 0.000 0.446 300 V N 1.987 122.070 119.914 0.282 0.000 2.769 300 V HA 0.985 5.104 4.120 -0.001 0.000 0.312 300 V C -0.450 175.803 176.094 0.265 0.000 1.061 300 V CA -0.796 61.630 62.300 0.210 0.000 0.931 300 V CB 1.587 33.498 31.823 0.147 0.000 1.010 300 V HN 1.019 nan 8.190 nan 0.000 0.433 301 A N 2.734 125.664 122.820 0.183 0.000 2.601 301 A HA 0.613 4.932 4.320 -0.001 0.000 0.291 301 A C 0.255 177.906 177.584 0.111 0.000 1.075 301 A CA -0.639 51.510 52.037 0.186 0.000 0.671 301 A CB 1.338 20.450 19.000 0.187 0.000 1.277 301 A HN 0.710 nan 8.150 nan 0.000 0.417 302 K N -0.138 120.321 120.400 0.097 0.000 2.097 302 K HA -0.026 4.293 4.320 -0.001 0.000 0.206 302 K C 0.367 176.983 176.600 0.026 0.000 1.049 302 K CA 1.062 57.384 56.287 0.058 0.000 0.933 302 K CB -0.062 32.472 32.500 0.058 0.000 0.717 302 K HN 0.454 nan 8.250 nan 0.000 0.442 303 R N 0.364 120.870 120.500 0.010 0.000 2.795 303 R HA 0.444 4.784 4.340 -0.001 0.000 0.275 303 R C -1.082 175.206 176.300 -0.021 0.000 0.981 303 R CA -0.782 55.306 56.100 -0.020 0.000 0.917 303 R CB 2.078 32.341 30.300 -0.061 0.000 1.202 303 R HN -0.187 nan 8.270 nan 0.000 0.469 304 V N 1.644 121.538 119.914 -0.033 0.000 2.540 304 V HA 0.392 4.511 4.120 -0.001 0.000 0.302 304 V C -0.207 175.838 176.094 -0.082 0.000 1.035 304 V CA -0.921 61.351 62.300 -0.048 0.000 0.873 304 V CB 2.232 34.038 31.823 -0.029 0.000 0.992 304 V HN 0.404 nan 8.190 nan 0.000 0.428 305 V N 3.789 123.660 119.914 -0.072 0.000 2.333 305 V HA 0.272 4.391 4.120 -0.001 0.000 0.274 305 V C 0.056 176.119 176.094 -0.052 0.000 1.028 305 V CA -0.375 61.887 62.300 -0.064 0.000 0.851 305 V CB 1.283 33.084 31.823 -0.035 0.000 1.000 305 V HN 1.018 nan 8.190 nan 0.000 0.456 306 C N 5.318 124.575 119.300 -0.072 0.000 2.264 306 C HA 0.570 5.029 4.460 -0.001 0.000 0.324 306 C C 1.438 176.531 174.990 0.171 0.000 1.267 306 C CA 0.168 59.201 59.018 0.025 0.000 1.618 306 C CB 0.187 27.908 27.740 -0.032 0.000 2.278 306 C HN 1.010 nan 8.230 nan 0.000 0.499 307 T N 3.380 118.017 114.554 0.138 0.000 3.215 307 T HA 0.337 4.686 4.350 -0.001 0.000 0.271 307 T C 0.255 175.039 174.700 0.140 0.000 1.012 307 T CA -0.202 61.971 62.100 0.121 0.000 0.899 307 T CB -0.515 68.368 68.868 0.024 0.000 1.089 307 T HN 0.615 nan 8.240 nan 0.000 0.552 308 I N 2.965 123.678 120.570 0.237 0.000 2.648 308 I HA 0.243 4.412 4.170 -0.001 0.000 0.284 308 I C -2.112 174.178 176.117 0.288 0.000 1.153 308 I CA -2.280 59.170 61.300 0.250 0.000 1.426 308 I CB 0.639 38.818 38.000 0.298 0.000 1.381 308 I HN 0.061 nan 8.210 nan 0.000 0.571 309 P HA -0.014 nan 4.420 nan 0.000 0.271 309 P C 0.564 178.074 177.300 0.350 0.000 1.216 309 P CA -0.340 62.905 63.100 0.242 0.000 0.776 309 P CB 0.658 32.506 31.700 0.247 0.000 0.881 310 L N 3.860 125.356 121.223 0.455 0.000 2.054 310 L HA -0.314 4.025 4.340 -0.001 0.000 0.220 310 L C 1.451 178.513 176.870 0.320 0.000 1.081 310 L CA 2.246 57.375 54.840 0.482 0.000 0.780 310 L CB -1.136 41.275 42.059 0.586 0.000 0.893 310 L HN 0.332 nan 8.230 nan 0.000 0.438 311 N N -1.326 117.554 118.700 0.301 0.000 2.512 311 N HA -0.056 4.683 4.740 -0.001 0.000 0.183 311 N C 1.448 177.044 175.510 0.145 0.000 1.073 311 N CA 1.184 54.327 53.050 0.153 0.000 0.911 311 N CB 0.007 38.508 38.487 0.024 0.000 0.964 311 N HN 0.369 nan 8.380 nan 0.000 0.447 312 V N -0.070 119.965 119.914 0.201 0.000 3.565 312 V HA 0.125 4.244 4.120 -0.001 0.000 0.260 312 V C 2.036 178.252 176.094 0.204 0.000 1.231 312 V CA 0.195 62.610 62.300 0.192 0.000 1.100 312 V CB -0.039 31.926 31.823 0.236 0.000 0.807 312 V HN 0.179 nan 8.190 nan 0.000 0.454 313 L N 1.342 122.705 121.223 0.234 0.000 2.127 313 L HA -0.193 4.147 4.340 -0.001 0.000 0.211 313 L C 2.708 179.715 176.870 0.227 0.000 1.089 313 L CA 1.954 56.955 54.840 0.268 0.000 0.757 313 L CB -0.512 41.677 42.059 0.216 0.000 0.899 313 L HN 0.599 nan 8.230 nan 0.000 0.434 314 S N -1.504 114.285 115.700 0.149 0.000 2.469 314 S HA -0.169 4.300 4.470 -0.001 0.000 0.238 314 S C 1.840 176.505 174.600 0.108 0.000 0.998 314 S CA 1.313 59.581 58.200 0.113 0.000 0.957 314 S CB -0.822 62.420 63.200 0.071 0.000 0.764 314 S HN 0.602 nan 8.310 nan 0.000 0.514 315 T N -0.575 114.046 114.554 0.112 0.000 3.148 315 T HA 0.331 4.680 4.350 -0.001 0.000 0.253 315 T C 0.585 175.324 174.700 0.066 0.000 1.134 315 T CA -0.236 61.913 62.100 0.082 0.000 1.051 315 T CB -0.474 68.443 68.868 0.081 0.000 0.959 315 T HN 0.308 nan 8.240 nan 0.000 0.525 316 I N 1.647 122.265 120.570 0.081 0.000 2.460 316 I HA 0.429 4.599 4.170 -0.001 0.000 0.298 316 I C -0.269 175.769 176.117 -0.131 0.000 0.989 316 I CA -1.016 60.244 61.300 -0.066 0.000 1.173 316 I CB 1.578 39.483 38.000 -0.159 0.000 1.338 316 I HN 0.145 nan 8.210 nan 0.000 0.456 317 Q N 4.521 124.192 119.800 -0.214 0.000 2.294 317 Q HA 0.450 4.789 4.340 -0.001 0.000 0.257 317 Q C -1.374 174.448 176.000 -0.296 0.000 0.955 317 Q CA 0.191 55.913 55.803 -0.135 0.000 0.936 317 Q CB 0.940 29.640 28.738 -0.063 0.000 1.188 317 Q HN 0.305 nan 8.270 nan 0.000 0.420 318 F N 0.587 120.593 119.950 0.092 0.000 2.458 318 F HA 0.473 5.000 4.527 -0.001 0.000 0.336 318 F C 0.077 175.961 175.800 0.140 0.000 1.114 318 F CA -0.693 57.387 58.000 0.132 0.000 0.987 318 F CB 1.865 40.944 39.000 0.132 0.000 1.130 318 F HN 0.288 nan 8.300 nan 0.000 0.458 319 S N 4.860 120.749 115.700 0.315 0.000 2.552 319 S HA 0.496 4.965 4.470 -0.001 0.000 0.314 319 S C -2.562 172.188 174.600 0.249 0.000 1.099 319 S CA -1.322 57.019 58.200 0.235 0.000 1.070 319 S CB 1.721 65.000 63.200 0.132 0.000 0.998 319 S HN 0.288 nan 8.310 nan 0.000 0.474 320 P HA 0.329 nan 4.420 nan 0.000 0.286 320 P C -0.780 176.716 177.300 0.327 0.000 1.293 320 P CA -0.614 62.605 63.100 0.198 0.000 0.770 320 P CB 0.427 32.182 31.700 0.092 0.000 1.206 321 A N 0.306 123.260 122.820 0.224 0.000 2.409 321 A HA 0.354 4.673 4.320 -0.001 0.000 0.262 321 A C 0.685 178.365 177.584 0.161 0.000 1.113 321 A CA -0.498 51.647 52.037 0.180 0.000 0.790 321 A CB -0.880 18.183 19.000 0.106 0.000 1.046 321 A HN 0.440 nan 8.150 nan 0.000 0.496 322 L N 2.111 123.341 121.223 0.013 0.000 2.483 322 L HA 0.091 4.430 4.340 -0.001 0.000 0.277 322 L C 1.515 178.336 176.870 -0.083 0.000 1.248 322 L CA 0.009 54.745 54.840 -0.174 0.000 0.825 322 L CB 0.133 41.955 42.059 -0.395 0.000 1.096 322 L HN 0.966 nan 8.230 nan 0.000 0.512 323 S N 0.056 115.690 115.700 -0.110 0.000 2.587 323 S HA 0.006 4.476 4.470 -0.001 0.000 0.260 323 S C 1.116 175.667 174.600 -0.083 0.000 1.353 323 S CA -0.092 58.063 58.200 -0.073 0.000 0.995 323 S CB 0.971 64.119 63.200 -0.086 0.000 0.912 323 S HN 0.651 nan 8.310 nan 0.000 0.568 324 T N 1.739 116.261 114.554 -0.053 0.000 2.720 324 T HA -0.118 4.231 4.350 -0.001 0.000 0.268 324 T C 1.581 176.245 174.700 -0.061 0.000 1.037 324 T CA 2.133 64.206 62.100 -0.046 0.000 1.144 324 T CB -0.605 68.246 68.868 -0.028 0.000 0.864 324 T HN 0.765 nan 8.240 nan 0.000 0.444 325 E N 0.624 120.780 120.200 -0.074 0.000 2.072 325 E HA 0.024 4.373 4.350 -0.001 0.000 0.191 325 E C 2.462 178.986 176.600 -0.125 0.000 0.985 325 E CA 0.680 57.032 56.400 -0.079 0.000 0.801 325 E CB -0.116 29.541 29.700 -0.072 0.000 0.750 325 E HN 0.294 nan 8.360 nan 0.000 0.452 326 R N 0.329 120.711 120.500 -0.197 0.000 2.073 326 R HA -0.110 4.229 4.340 -0.001 0.000 0.234 326 R C 2.175 178.356 176.300 -0.198 0.000 1.134 326 R CA 1.218 57.146 56.100 -0.286 0.000 0.952 326 R CB -0.301 29.722 30.300 -0.462 0.000 0.850 326 R HN 0.207 nan 8.270 nan 0.000 0.433 327 I N 0.647 121.131 120.570 -0.143 0.000 2.163 327 I HA -0.257 3.913 4.170 -0.001 0.000 0.243 327 I C 2.155 178.242 176.117 -0.050 0.000 1.085 327 I CA 1.480 62.730 61.300 -0.082 0.000 1.347 327 I CB -1.236 36.733 38.000 -0.052 0.000 1.044 327 I HN 0.118 nan 8.210 nan 0.000 0.408 328 S N 1.483 117.156 115.700 -0.044 0.000 2.356 328 S HA -0.122 4.347 4.470 -0.001 0.000 0.223 328 S C 2.321 176.920 174.600 -0.002 0.000 1.032 328 S CA 1.314 59.503 58.200 -0.018 0.000 1.005 328 S CB -0.528 62.664 63.200 -0.012 0.000 0.867 328 S HN 0.550 nan 8.310 nan 0.000 0.449 329 A N 2.002 124.817 122.820 -0.009 0.000 1.858 329 A HA -0.080 4.239 4.320 -0.001 0.000 0.216 329 A C 2.233 179.849 177.584 0.054 0.000 1.190 329 A CA 1.755 53.816 52.037 0.039 0.000 0.617 329 A CB -0.818 18.198 19.000 0.026 0.000 0.827 329 A HN 0.445 nan 8.150 nan 0.000 0.443 330 M N -0.969 118.639 119.600 0.013 0.000 2.108 330 M HA -0.257 4.222 4.480 -0.001 0.000 0.257 330 M C 2.424 178.743 176.300 0.031 0.000 1.071 330 M CA 1.648 56.967 55.300 0.031 0.000 1.093 330 M CB -0.318 32.279 32.600 -0.004 0.000 1.345 330 M HN 0.389 nan 8.290 nan 0.000 0.403 331 Q N -0.395 119.414 119.800 0.015 0.000 2.020 331 Q HA 0.011 4.350 4.340 -0.001 0.000 0.198 331 Q C 2.336 178.340 176.000 0.008 0.000 0.974 331 Q CA 1.833 57.642 55.803 0.011 0.000 0.829 331 Q CB -0.794 27.946 28.738 0.004 0.000 0.894 331 Q HN 0.570 nan 8.270 nan 0.000 0.433 332 A N 0.351 123.179 122.820 0.013 0.000 1.865 332 A HA 0.162 4.481 4.320 -0.001 0.000 0.217 332 A C 1.112 178.696 177.584 0.000 0.000 1.191 332 A CA 1.722 53.764 52.037 0.008 0.000 0.623 332 A CB -1.039 17.974 19.000 0.021 0.000 0.826 332 A HN 0.482 nan 8.150 nan 0.000 0.444 333 G N -1.231 107.586 108.800 0.028 0.000 2.731 333 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.686 333 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.686 333 G C -0.111 174.788 174.900 -0.002 0.000 1.395 333 G CA -0.050 45.056 45.100 0.009 0.000 0.870 333 G HN 1.547 nan 8.290 nan 0.000 0.591 334 H N -0.300 118.780 119.070 0.017 0.000 2.603 334 H HA 0.476 5.031 4.556 -0.001 0.000 0.370 334 H C 1.640 176.882 175.328 -0.143 0.000 1.225 334 H CA 0.137 56.099 56.048 -0.144 0.000 1.410 334 H CB 1.287 30.867 29.762 -0.304 0.000 1.495 334 H HN 1.260 nan 8.280 nan 0.000 0.602 335 V N -0.801 119.118 119.914 0.009 0.000 3.650 335 V HA 0.085 4.204 4.120 -0.001 0.000 0.271 335 V C 0.998 177.040 176.094 -0.088 0.000 1.281 335 V CA 0.365 62.625 62.300 -0.067 0.000 1.120 335 V CB -0.129 31.658 31.823 -0.059 0.000 0.856 335 V HN 0.628 nan 8.190 nan 0.000 0.443 336 S N 1.651 117.352 115.700 0.002 0.000 2.430 336 S HA 0.490 4.960 4.470 -0.001 0.000 0.282 336 S C 0.064 174.519 174.600 -0.243 0.000 1.186 336 S CA -0.307 57.731 58.200 -0.271 0.000 1.060 336 S CB 0.403 63.139 63.200 -0.774 0.000 0.966 336 S HN 0.414 nan 8.310 nan 0.000 0.501 337 M N 5.224 124.699 119.600 -0.208 0.000 3.004 337 M HA 0.283 4.762 4.480 -0.001 0.000 0.365 337 M C -0.198 176.134 176.300 0.052 0.000 1.317 337 M CA -1.042 54.193 55.300 -0.109 0.000 0.821 337 M CB -0.340 32.130 32.600 -0.215 0.000 1.387 337 M HN 0.713 nan 8.290 nan 0.000 0.501 338 C N 1.090 120.371 119.300 -0.032 0.000 2.637 338 C HA 0.554 5.013 4.460 -0.001 0.000 0.418 338 C C 0.660 175.819 174.990 0.280 0.000 1.319 338 C CA 0.438 59.520 59.018 0.108 0.000 1.949 338 C CB -0.133 27.604 27.740 -0.005 0.000 2.639 338 C HN 0.663 nan 8.230 nan 0.000 0.594 339 T N 6.055 120.763 114.554 0.256 0.000 2.771 339 T HA 0.342 4.692 4.350 -0.001 0.000 0.281 339 T C -0.546 174.278 174.700 0.207 0.000 0.982 339 T CA -0.248 61.959 62.100 0.178 0.000 0.978 339 T CB 0.736 69.570 68.868 -0.057 0.000 0.930 339 T HN 0.753 nan 8.240 nan 0.000 0.447 340 K N 3.561 124.088 120.400 0.212 0.000 2.483 340 K HA 0.589 4.908 4.320 -0.001 0.000 0.256 340 K C -1.568 175.020 176.600 -0.020 0.000 0.961 340 K CA -0.541 55.771 56.287 0.042 0.000 0.873 340 K CB 1.017 33.639 32.500 0.205 0.000 1.107 340 K HN 0.353 nan 8.250 nan 0.000 0.432 341 V N 4.948 124.763 119.914 -0.163 0.000 2.487 341 V HA 0.312 4.431 4.120 -0.001 0.000 0.298 341 V C -0.445 175.613 176.094 -0.059 0.000 1.028 341 V CA -0.884 61.406 62.300 -0.016 0.000 0.860 341 V CB 1.479 33.268 31.823 -0.057 0.000 0.991 341 V HN 0.753 nan 8.190 nan 0.000 0.427 342 H N 3.207 122.438 119.070 0.267 0.000 2.473 342 H HA 0.713 5.268 4.556 -0.001 0.000 0.327 342 H C -0.053 175.467 175.328 0.321 0.000 1.105 342 H CA -0.268 56.002 56.048 0.370 0.000 1.280 342 H CB 2.112 32.191 29.762 0.528 0.000 1.450 342 H HN 0.740 nan 8.280 nan 0.000 0.492 343 A N 3.224 126.304 122.820 0.432 0.000 2.332 343 A HA 0.217 4.536 4.320 -0.001 0.000 0.300 343 A C -0.019 177.746 177.584 0.302 0.000 1.153 343 A CA -0.766 51.453 52.037 0.304 0.000 0.764 343 A CB 0.869 19.977 19.000 0.180 0.000 1.174 343 A HN 0.804 nan 8.150 nan 0.000 0.467 344 E N 2.380 122.743 120.200 0.272 0.000 2.152 344 E HA 0.444 4.793 4.350 -0.001 0.000 0.285 344 E C -0.216 176.453 176.600 0.115 0.000 1.043 344 E CA -0.394 56.110 56.400 0.173 0.000 0.839 344 E CB 0.720 30.514 29.700 0.157 0.000 1.069 344 E HN 0.696 nan 8.360 nan 0.000 0.399 345 V N 1.694 121.626 119.914 0.030 0.000 3.103 345 V HA 0.447 4.566 4.120 -0.001 0.000 0.318 345 V C -0.018 176.094 176.094 0.030 0.000 1.114 345 V CA -0.628 61.681 62.300 0.015 0.000 1.020 345 V CB 1.892 33.557 31.823 -0.263 0.000 1.085 345 V HN 0.742 nan 8.190 nan 0.000 0.446 346 D N 0.328 120.783 120.400 0.092 0.000 2.427 346 D HA 0.158 4.797 4.640 -0.001 0.000 0.224 346 D C 0.019 176.361 176.300 0.070 0.000 1.157 346 D CA 0.010 54.057 54.000 0.080 0.000 0.828 346 D CB -0.409 40.451 40.800 0.099 0.000 0.974 346 D HN 0.541 nan 8.370 nan 0.000 0.498 347 N N 1.173 119.897 118.700 0.040 0.000 2.524 347 N HA 0.142 4.881 4.740 -0.001 0.000 0.261 347 N C 0.451 175.964 175.510 0.004 0.000 0.998 347 N CA -0.371 52.699 53.050 0.034 0.000 0.915 347 N CB 1.317 39.839 38.487 0.057 0.000 1.187 347 N HN -0.084 nan 8.380 nan 0.000 0.507 348 K N 1.199 121.612 120.400 0.021 0.000 2.148 348 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 348 K C 0.122 176.745 176.600 0.037 0.000 1.050 348 K CA 1.008 57.310 56.287 0.024 0.000 0.942 348 K CB 0.372 32.889 32.500 0.029 0.000 0.724 348 K HN 0.478 nan 8.250 nan 0.000 0.446 349 D N 0.442 120.866 120.400 0.040 0.000 2.363 349 D HA -0.033 4.606 4.640 -0.001 0.000 0.220 349 D C 1.313 177.659 176.300 0.078 0.000 0.994 349 D CA 0.756 54.789 54.000 0.055 0.000 0.890 349 D CB 0.133 40.959 40.800 0.043 0.000 0.906 349 D HN 0.200 nan 8.370 nan 0.000 0.530 350 M N 0.033 119.666 119.600 0.055 0.000 2.628 350 M HA 0.026 4.505 4.480 -0.001 0.000 0.232 350 M C 1.740 178.148 176.300 0.179 0.000 1.128 350 M CA 0.026 55.378 55.300 0.086 0.000 1.040 350 M CB 0.289 32.816 32.600 -0.120 0.000 1.608 350 M HN -0.191 nan 8.290 nan 0.000 0.507 351 R N 1.319 121.906 120.500 0.145 0.000 2.127 351 R HA -0.112 4.227 4.340 -0.001 0.000 0.238 351 R C 1.522 177.978 176.300 0.260 0.000 1.134 351 R CA 2.029 58.227 56.100 0.162 0.000 0.975 351 R CB -0.296 30.075 30.300 0.118 0.000 0.865 351 R HN 0.326 nan 8.270 nan 0.000 0.447 352 S N -1.850 114.051 115.700 0.335 0.000 2.561 352 S HA 0.152 4.621 4.470 -0.001 0.000 0.245 352 S C -0.413 174.555 174.600 0.613 0.000 1.001 352 S CA -0.990 57.515 58.200 0.509 0.000 1.002 352 S CB -0.410 63.069 63.200 0.465 0.000 0.805 352 S HN 0.406 nan 8.310 nan 0.000 0.458 353 W N 3.078 124.573 121.300 0.325 0.000 2.449 353 W HA 0.630 5.289 4.660 -0.001 0.000 0.331 353 W C -0.331 176.453 176.519 0.441 0.000 1.119 353 W CA -0.113 57.434 57.345 0.336 0.000 1.240 353 W CB 1.487 31.070 29.460 0.206 0.000 1.251 353 W HN 0.233 nan 8.180 nan 0.000 0.576 354 T N 2.380 116.717 114.554 -0.362 0.000 2.883 354 T HA 0.861 5.210 4.350 -0.001 0.000 0.301 354 T C -0.571 173.340 174.700 -1.315 0.000 1.158 354 T CA -0.620 61.119 62.100 -0.602 0.000 1.007 354 T CB 1.485 70.410 68.868 0.096 0.000 1.186 354 T HN 1.008 nan 8.240 nan 0.000 0.499 355 G N 0.290 108.436 108.800 -1.090 0.000 2.718 355 G HA2 0.665 4.625 3.960 -0.001 0.000 0.295 355 G HA3 0.665 4.625 3.960 -0.001 0.000 0.295 355 G C -1.820 172.944 174.900 -0.227 0.000 1.421 355 G CA -0.885 43.818 45.100 -0.663 0.000 0.902 355 G HN 0.916 nan 8.290 nan 0.000 0.501 356 I N 0.793 121.295 120.570 -0.114 0.000 2.466 356 I HA 0.614 4.783 4.170 -0.001 0.000 0.289 356 I C -0.024 176.116 176.117 0.038 0.000 1.026 356 I CA -0.950 60.366 61.300 0.026 0.000 1.078 356 I CB 2.339 40.428 38.000 0.148 0.000 1.249 356 I HN 0.647 nan 8.210 nan 0.000 0.429 357 A N 6.591 129.459 122.820 0.079 0.000 2.340 357 A HA 0.737 5.056 4.320 -0.001 0.000 0.297 357 A C -1.598 175.921 177.584 -0.108 0.000 1.195 357 A CA -0.379 51.645 52.037 -0.022 0.000 0.769 357 A CB 0.655 19.581 19.000 -0.122 0.000 1.163 357 A HN 0.659 nan 8.150 nan 0.000 0.472 358 Y N 4.429 124.637 120.300 -0.153 0.000 2.521 358 Y HA 0.551 5.101 4.550 -0.001 0.000 0.332 358 Y C -2.475 173.472 175.900 0.079 0.000 1.121 358 Y CA -1.352 56.700 58.100 -0.081 0.000 1.037 358 Y CB 2.671 41.132 38.460 0.001 0.000 1.330 358 Y HN 0.436 nan 8.280 nan 0.000 0.452 359 P HA 0.020 nan 4.420 nan 0.000 0.255 359 P C 0.989 178.039 177.300 -0.416 0.000 1.248 359 P CA 0.433 62.911 63.100 -1.036 0.000 0.807 359 P CB -0.198 30.934 31.700 -0.948 0.000 1.150 360 F N -0.435 119.393 119.950 -0.203 0.000 2.325 360 F HA 0.132 4.658 4.527 -0.001 0.000 0.299 360 F C 0.559 176.323 175.800 -0.060 0.000 1.090 360 F CA -0.170 57.765 58.000 -0.109 0.000 1.392 360 F CB -1.424 37.531 39.000 -0.075 0.000 1.053 360 F HN -0.227 nan 8.300 nan 0.000 0.521 361 N N 0.832 118.960 118.700 -0.952 0.000 2.495 361 N HA 0.206 4.945 4.740 -0.001 0.000 0.280 361 N C 0.406 175.772 175.510 -0.239 0.000 1.168 361 N CA -0.468 52.240 53.050 -0.569 0.000 0.978 361 N CB 1.198 39.254 38.487 -0.718 0.000 1.191 361 N HN 0.080 nan 8.380 nan 0.000 0.497 362 K N 0.637 120.956 120.400 -0.134 0.000 2.400 362 K HA 0.218 4.537 4.320 -0.001 0.000 0.194 362 K C -0.285 176.279 176.600 -0.060 0.000 1.033 362 K CA 0.524 56.757 56.287 -0.091 0.000 1.021 362 K CB 0.202 32.642 32.500 -0.099 0.000 0.808 362 K HN 0.379 nan 8.250 nan 0.000 0.505 363 L N 0.712 121.912 121.223 -0.038 0.000 2.356 363 L HA 0.209 4.548 4.340 -0.001 0.000 0.277 363 L C 0.645 177.564 176.870 0.081 0.000 0.996 363 L CA -0.832 54.036 54.840 0.045 0.000 0.822 363 L CB 1.683 43.773 42.059 0.052 0.000 1.256 363 L HN 0.162 nan 8.230 nan 0.000 0.413 364 C N 1.196 120.604 119.300 0.180 0.000 3.183 364 C HA 0.346 4.805 4.460 -0.001 0.000 0.285 364 C C -0.052 175.135 174.990 0.328 0.000 1.313 364 C CA -0.561 58.583 59.018 0.210 0.000 1.711 364 C CB -0.837 27.066 27.740 0.271 0.000 2.135 364 C HN 0.690 nan 8.230 nan 0.000 0.651 365 Y N 1.200 121.648 120.300 0.246 0.000 2.323 365 Y HA 0.633 5.182 4.550 -0.001 0.000 0.322 365 Y C -0.639 175.491 175.900 0.384 0.000 1.133 365 Y CA -0.389 57.887 58.100 0.293 0.000 1.093 365 Y CB 0.947 39.569 38.460 0.270 0.000 1.203 365 Y HN 0.432 nan 8.280 nan 0.000 0.427 366 A N 6.222 129.248 122.820 0.343 0.000 2.515 366 A HA 0.927 5.246 4.320 -0.001 0.000 0.296 366 A C -1.563 176.199 177.584 0.297 0.000 1.094 366 A CA -0.634 51.671 52.037 0.448 0.000 0.718 366 A CB 1.433 20.784 19.000 0.584 0.000 1.307 366 A HN 0.957 nan 8.150 nan 0.000 0.408 367 I N -1.320 119.488 120.570 0.397 0.000 2.802 367 I HA 0.792 4.962 4.170 -0.001 0.000 0.298 367 I C 0.188 176.493 176.117 0.314 0.000 1.176 367 I CA -0.991 60.501 61.300 0.321 0.000 1.025 367 I CB 2.117 40.252 38.000 0.226 0.000 1.243 367 I HN 0.793 nan 8.210 nan 0.000 0.424 368 G N 1.952 110.971 108.800 0.365 0.000 2.343 368 G HA2 0.228 4.187 3.960 -0.001 0.000 0.254 368 G HA3 0.228 4.187 3.960 -0.001 0.000 0.254 368 G C -0.271 174.662 174.900 0.055 0.000 1.277 368 G CA 0.187 45.409 45.100 0.205 0.000 0.909 368 G HN 0.932 nan 8.290 nan 0.000 0.502 369 D N 0.446 120.828 120.400 -0.030 0.000 2.498 369 D HA 0.320 4.960 4.640 -0.001 0.000 0.223 369 D C 0.991 177.384 176.300 0.155 0.000 1.125 369 D CA 0.909 54.906 54.000 -0.005 0.000 0.835 369 D CB 0.671 41.423 40.800 -0.079 0.000 1.086 369 D HN 0.786 nan 8.370 nan 0.000 0.510 370 G N -1.461 107.442 108.800 0.171 0.000 2.342 370 G HA2 0.427 4.386 3.960 -0.001 0.000 0.297 370 G HA3 0.427 4.386 3.960 -0.001 0.000 0.297 370 G C -1.405 173.544 174.900 0.082 0.000 1.313 370 G CA -0.575 44.667 45.100 0.236 0.000 0.830 370 G HN -0.076 nan 8.290 nan 0.000 0.506 371 T N 0.990 115.563 114.554 0.031 0.000 2.879 371 T HA 0.618 4.968 4.350 -0.001 0.000 0.290 371 T C 0.422 175.017 174.700 -0.174 0.000 0.993 371 T CA -0.032 62.027 62.100 -0.068 0.000 0.975 371 T CB 1.318 70.189 68.868 0.005 0.000 0.981 371 T HN 1.088 nan 8.240 nan 0.000 0.439 372 T N 1.193 115.552 114.554 -0.325 0.000 2.856 372 T HA 0.206 4.555 4.350 -0.001 0.000 0.306 372 T C -1.658 173.003 174.700 -0.065 0.000 1.062 372 T CA -1.331 60.585 62.100 -0.306 0.000 1.083 372 T CB 0.239 68.935 68.868 -0.286 0.000 0.984 372 T HN 0.145 nan 8.240 nan 0.000 0.542 373 P HA -0.070 nan 4.420 nan 0.000 0.218 373 P C 1.312 178.617 177.300 0.008 0.000 1.146 373 P CA 1.307 64.423 63.100 0.026 0.000 0.820 373 P CB -0.275 31.450 31.700 0.041 0.000 0.778 374 A N -1.075 121.743 122.820 -0.005 0.000 2.239 374 A HA 0.349 4.668 4.320 -0.001 0.000 0.209 374 A C 1.659 179.240 177.584 -0.006 0.000 1.171 374 A CA 0.851 52.886 52.037 -0.003 0.000 0.768 374 A CB -1.361 17.637 19.000 -0.002 0.000 0.790 374 A HN 0.262 nan 8.150 nan 0.000 0.478 375 G N -0.660 108.133 108.800 -0.012 0.000 2.147 375 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.244 375 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.244 375 G C -0.168 174.725 174.900 -0.011 0.000 1.005 375 G CA 0.166 45.263 45.100 -0.006 0.000 0.713 375 G HN 0.537 nan 8.290 nan 0.000 0.515 376 N N 0.028 118.709 118.700 -0.031 0.000 2.472 376 N HA 0.507 5.246 4.740 -0.001 0.000 0.289 376 N C -0.102 175.377 175.510 -0.051 0.000 1.156 376 N CA -0.110 52.923 53.050 -0.028 0.000 0.940 376 N CB 1.006 39.481 38.487 -0.020 0.000 1.200 376 N HN 0.066 nan 8.380 nan 0.000 0.511 377 T N 0.460 114.994 114.554 -0.034 0.000 2.749 377 T HA 0.057 4.406 4.350 -0.001 0.000 0.295 377 T C 0.022 174.720 174.700 -0.003 0.000 0.936 377 T CA -0.166 61.918 62.100 -0.027 0.000 1.060 377 T CB -0.013 68.836 68.868 -0.032 0.000 0.904 377 T HN 0.339 nan 8.240 nan 0.000 0.500 378 H N 4.777 123.782 119.070 -0.110 0.000 2.519 378 H HA 0.440 4.995 4.556 -0.001 0.000 0.316 378 H C -0.921 174.439 175.328 0.054 0.000 1.065 378 H CA -0.935 55.076 56.048 -0.062 0.000 1.264 378 H CB 0.505 30.142 29.762 -0.208 0.000 1.413 378 H HN 0.432 nan 8.280 nan 0.000 0.465 379 L N 6.226 127.418 121.223 -0.051 0.000 2.295 379 L HA 0.293 4.632 4.340 -0.001 0.000 0.285 379 L C 0.023 176.821 176.870 -0.120 0.000 1.035 379 L CA -0.991 53.789 54.840 -0.101 0.000 0.806 379 L CB 1.769 43.787 42.059 -0.068 0.000 1.214 379 L HN 0.374 nan 8.230 nan 0.000 0.426 380 V N 3.209 123.048 119.914 -0.125 0.000 2.435 380 V HA 0.516 4.636 4.120 -0.001 0.000 0.290 380 V C -0.406 175.653 176.094 -0.058 0.000 1.030 380 V CA -0.246 61.985 62.300 -0.116 0.000 0.881 380 V CB 1.340 33.088 31.823 -0.126 0.000 0.983 380 V HN 0.930 nan 8.190 nan 0.000 0.445 381 C N 6.503 125.680 119.300 -0.205 0.000 2.507 381 C HA 0.754 5.214 4.460 -0.001 0.000 0.319 381 C C -0.583 174.243 174.990 -0.274 0.000 1.208 381 C CA -0.852 58.136 59.018 -0.049 0.000 1.619 381 C CB 0.813 28.590 27.740 0.060 0.000 2.230 381 C HN 0.811 nan 8.230 nan 0.000 0.492 382 F N 0.928 121.017 119.950 0.233 0.000 2.532 382 F HA 0.727 5.253 4.527 -0.001 0.000 0.321 382 F C 0.694 176.592 175.800 0.163 0.000 1.089 382 F CA -0.086 58.037 58.000 0.205 0.000 0.926 382 F CB 1.939 41.074 39.000 0.225 0.000 1.168 382 F HN 0.816 nan 8.300 nan 0.000 0.459 383 G N 0.122 109.104 108.800 0.304 0.000 2.658 383 G HA2 0.685 4.645 3.960 -0.001 0.000 0.292 383 G HA3 0.685 4.645 3.960 -0.001 0.000 0.292 383 G C -1.111 173.905 174.900 0.193 0.000 1.320 383 G CA -0.704 44.505 45.100 0.180 0.000 0.933 383 G HN 0.708 nan 8.290 nan 0.000 0.476 384 T N -2.815 111.834 114.554 0.159 0.000 2.742 384 T HA 0.425 4.774 4.350 -0.001 0.000 0.282 384 T C 0.156 174.977 174.700 0.201 0.000 1.025 384 T CA -0.299 61.897 62.100 0.160 0.000 1.020 384 T CB 1.981 70.918 68.868 0.114 0.000 1.317 384 T HN 0.212 nan 8.240 nan 0.000 0.538 385 D N -0.293 120.182 120.400 0.125 0.000 2.348 385 D HA 0.177 4.817 4.640 -0.001 0.000 0.216 385 D C 2.099 178.435 176.300 0.060 0.000 0.970 385 D CA 1.017 55.058 54.000 0.067 0.000 0.889 385 D CB -0.396 40.367 40.800 -0.061 0.000 0.912 385 D HN 0.672 nan 8.370 nan 0.000 0.524 386 A N 0.051 122.913 122.820 0.070 0.000 1.972 386 A HA -0.114 4.205 4.320 -0.001 0.000 0.219 386 A C 1.251 178.859 177.584 0.040 0.000 1.169 386 A CA 1.054 53.128 52.037 0.062 0.000 0.635 386 A CB -0.005 19.064 19.000 0.115 0.000 0.810 386 A HN 0.185 nan 8.150 nan 0.000 0.446 387 N N -0.676 118.058 118.700 0.057 0.000 2.751 387 N HA 0.087 4.826 4.740 -0.001 0.000 0.238 387 N C -1.498 174.038 175.510 0.043 0.000 1.351 387 N CA -0.375 52.690 53.050 0.025 0.000 0.751 387 N CB 0.133 38.600 38.487 -0.034 0.000 1.342 387 N HN 0.468 nan 8.380 nan 0.000 0.540 388 H N 2.456 121.511 119.070 -0.024 0.000 2.525 388 H HA 0.437 4.993 4.556 -0.001 0.000 0.339 388 H C -0.620 174.684 175.328 -0.040 0.000 1.109 388 H CA -0.087 55.946 56.048 -0.025 0.000 1.352 388 H CB 1.601 31.348 29.762 -0.025 0.000 1.461 388 H HN 0.445 nan 8.280 nan 0.000 0.533 389 I N 4.102 124.278 120.570 -0.658 0.000 2.582 389 I HA 0.105 4.274 4.170 -0.001 0.000 0.292 389 I C -0.855 174.912 176.117 -0.584 0.000 1.066 389 I CA -0.799 60.234 61.300 -0.445 0.000 1.053 389 I CB 1.828 39.646 38.000 -0.302 0.000 1.241 389 I HN 0.532 nan 8.210 nan 0.000 0.421 390 Q N 8.742 128.382 119.800 -0.266 0.000 2.323 390 Q HA 0.248 4.587 4.340 -0.001 0.000 0.257 390 Q C -1.960 173.862 176.000 -0.297 0.000 1.022 390 Q CA -1.817 53.871 55.803 -0.191 0.000 0.919 390 Q CB 1.156 29.860 28.738 -0.057 0.000 1.220 390 Q HN 0.479 nan 8.270 nan 0.000 0.427 391 P HA -0.179 nan 4.420 nan 0.000 0.221 391 P C 0.619 177.530 177.300 -0.648 0.000 1.150 391 P CA 1.160 63.818 63.100 -0.736 0.000 0.800 391 P CB 0.322 31.234 31.700 -1.314 0.000 0.787 392 D N 0.422 120.568 120.400 -0.423 0.000 2.224 392 D HA -0.154 4.485 4.640 -0.001 0.000 0.205 392 D C 1.619 177.799 176.300 -0.199 0.000 0.965 392 D CA 0.761 54.561 54.000 -0.333 0.000 0.852 392 D CB -0.594 39.823 40.800 -0.639 0.000 0.947 392 D HN 0.225 nan 8.370 nan 0.000 0.494 393 E N 0.282 120.382 120.200 -0.166 0.000 2.051 393 E HA -0.112 4.237 4.350 -0.001 0.000 0.192 393 E C 0.114 176.666 176.600 -0.080 0.000 0.991 393 E CA 1.072 57.413 56.400 -0.097 0.000 0.799 393 E CB 0.187 29.839 29.700 -0.081 0.000 0.748 393 E HN 0.136 nan 8.360 nan 0.000 0.449 394 D N -0.681 119.654 120.400 -0.109 0.000 2.336 394 D HA 0.067 4.706 4.640 -0.001 0.000 0.248 394 D C 0.399 176.614 176.300 -0.142 0.000 1.326 394 D CA -0.210 53.733 54.000 -0.095 0.000 0.973 394 D CB 1.519 42.270 40.800 -0.082 0.000 1.255 394 D HN -0.204 nan 8.370 nan 0.000 0.558 395 V N 4.279 124.107 119.914 -0.145 0.000 2.469 395 V HA -0.202 3.917 4.120 -0.001 0.000 0.251 395 V C 2.512 178.417 176.094 -0.315 0.000 1.064 395 V CA 2.157 64.298 62.300 -0.265 0.000 1.066 395 V CB -0.318 31.309 31.823 -0.327 0.000 0.667 395 V HN 0.530 nan 8.190 nan 0.000 0.461 396 R N -0.372 120.005 120.500 -0.205 0.000 2.092 396 R HA -0.144 4.195 4.340 -0.001 0.000 0.231 396 R C 2.170 178.376 176.300 -0.156 0.000 1.119 396 R CA 1.436 57.431 56.100 -0.175 0.000 0.970 396 R CB -0.117 30.126 30.300 -0.095 0.000 0.864 396 R HN 0.437 nan 8.270 nan 0.000 0.440 397 E N 0.199 120.315 120.200 -0.140 0.000 2.072 397 E HA -0.108 4.241 4.350 -0.001 0.000 0.191 397 E C 1.979 178.488 176.600 -0.151 0.000 0.985 397 E CA 1.846 58.171 56.400 -0.125 0.000 0.801 397 E CB -0.536 29.098 29.700 -0.111 0.000 0.750 397 E HN 0.369 nan 8.360 nan 0.000 0.452 398 T N 1.853 116.285 114.554 -0.203 0.000 2.759 398 T HA -0.109 4.240 4.350 -0.001 0.000 0.269 398 T C 2.105 176.693 174.700 -0.186 0.000 1.042 398 T CA 0.919 62.881 62.100 -0.230 0.000 1.140 398 T CB -0.205 68.472 68.868 -0.317 0.000 0.864 398 T HN 0.078 nan 8.240 nan 0.000 0.455 399 L N 0.762 121.852 121.223 -0.222 0.000 2.179 399 L HA 0.008 4.348 4.340 -0.001 0.000 0.208 399 L C 2.575 179.377 176.870 -0.114 0.000 1.096 399 L CA 1.037 55.765 54.840 -0.187 0.000 0.779 399 L CB -0.369 41.516 42.059 -0.290 0.000 0.922 399 L HN 0.309 nan 8.230 nan 0.000 0.443 400 K N 0.675 121.010 120.400 -0.109 0.000 2.217 400 K HA -0.054 4.265 4.320 -0.001 0.000 0.202 400 K C 2.004 178.582 176.600 -0.036 0.000 1.051 400 K CA 1.229 57.474 56.287 -0.070 0.000 0.952 400 K CB -0.136 32.328 32.500 -0.060 0.000 0.736 400 K HN 0.130 nan 8.250 nan 0.000 0.453 401 A N 1.163 123.955 122.820 -0.046 0.000 1.897 401 A HA -0.019 4.301 4.320 -0.001 0.000 0.215 401 A C 2.312 179.910 177.584 0.024 0.000 1.181 401 A CA 1.312 53.334 52.037 -0.024 0.000 0.620 401 A CB -0.696 18.265 19.000 -0.065 0.000 0.821 401 A HN 0.134 nan 8.150 nan 0.000 0.443 402 V N 0.069 120.002 119.914 0.031 0.000 2.287 402 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 402 V C 2.817 179.018 176.094 0.178 0.000 1.053 402 V CA 2.176 64.553 62.300 0.128 0.000 1.027 402 V CB -1.381 30.529 31.823 0.145 0.000 0.646 402 V HN 0.613 nan 8.190 nan 0.000 0.447 403 G N -1.447 107.371 108.800 0.029 0.000 2.422 403 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.218 403 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.218 403 G C 1.399 176.268 174.900 -0.053 0.000 1.146 403 G CA 0.472 45.479 45.100 -0.155 0.000 0.769 403 G HN 0.569 nan 8.290 nan 0.000 0.547 404 Q N -0.336 119.491 119.800 0.046 0.000 2.515 404 Q HA 0.198 4.538 4.340 -0.001 0.000 0.212 404 Q C 2.206 178.325 176.000 0.199 0.000 0.970 404 Q CA -0.035 55.845 55.803 0.128 0.000 0.941 404 Q CB -0.014 28.838 28.738 0.190 0.000 0.998 404 Q HN 0.460 nan 8.270 nan 0.000 0.518 405 L N -0.568 120.789 121.223 0.223 0.000 2.217 405 L HA 0.001 4.340 4.340 -0.001 0.000 0.211 405 L C 0.878 178.004 176.870 0.427 0.000 1.107 405 L CA 0.486 55.539 54.840 0.355 0.000 0.783 405 L CB 0.254 42.602 42.059 0.483 0.000 0.919 405 L HN 0.009 nan 8.230 nan 0.000 0.442 406 A N -0.557 122.423 122.820 0.267 0.000 3.124 406 A HA 0.474 4.793 4.320 -0.001 0.000 0.295 406 A C -2.667 174.949 177.584 0.054 0.000 1.199 406 A CA -0.892 51.274 52.037 0.215 0.000 0.845 406 A CB -0.093 18.977 19.000 0.118 0.000 1.381 406 A HN -0.179 nan 8.150 nan 0.000 0.537 407 P HA 0.333 nan 4.420 nan 0.000 0.264 407 P C 1.186 178.452 177.300 -0.056 0.000 1.193 407 P CA 2.042 65.116 63.100 -0.043 0.000 0.763 407 P CB 0.845 32.546 31.700 0.001 0.000 0.810 408 G N 2.432 111.148 108.800 -0.141 0.000 2.148 408 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.254 408 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.254 408 G C 0.754 175.615 174.900 -0.065 0.000 0.981 408 G CA 0.676 45.719 45.100 -0.096 0.000 0.670 408 G HN 0.614 nan 8.290 nan 0.000 0.528 409 T N -2.237 112.269 114.554 -0.079 0.000 3.014 409 T HA 0.564 4.913 4.350 -0.001 0.000 0.250 409 T C 0.558 175.337 174.700 0.132 0.000 1.060 409 T CA 1.035 63.167 62.100 0.053 0.000 1.040 409 T CB 0.094 69.046 68.868 0.139 0.000 0.971 409 T HN 1.559 nan 8.240 nan 0.000 0.497 410 F N -0.876 119.047 119.950 -0.045 0.000 2.713 410 F HA 0.803 5.329 4.527 -0.001 0.000 0.311 410 F C -0.452 175.343 175.800 -0.008 0.000 1.141 410 F CA -1.718 56.261 58.000 -0.034 0.000 0.939 410 F CB 0.911 39.871 39.000 -0.068 0.000 1.325 410 F HN 0.084 nan 8.300 nan 0.000 0.453 411 G N 0.539 109.479 108.800 0.233 0.000 2.454 411 G HA2 0.607 4.566 3.960 -0.001 0.000 0.329 411 G HA3 0.607 4.566 3.960 -0.001 0.000 0.329 411 G C -1.901 173.212 174.900 0.356 0.000 1.177 411 G CA -1.182 44.028 45.100 0.184 0.000 0.951 411 G HN 0.688 nan 8.290 nan 0.000 0.485 412 V N 1.180 121.285 119.914 0.317 0.000 2.370 412 V HA 0.253 4.372 4.120 -0.001 0.000 0.283 412 V C 0.590 176.889 176.094 0.342 0.000 1.023 412 V CA -0.510 62.005 62.300 0.358 0.000 0.857 412 V CB 1.372 33.407 31.823 0.353 0.000 0.985 412 V HN 0.891 nan 8.190 nan 0.000 0.443 413 K N 3.455 124.004 120.400 0.248 0.000 2.356 413 K HA 0.268 4.588 4.320 -0.001 0.000 0.195 413 K C 0.755 177.444 176.600 0.148 0.000 1.037 413 K CA 0.205 56.589 56.287 0.162 0.000 1.014 413 K CB 0.635 33.192 32.500 0.096 0.000 0.815 413 K HN 0.552 nan 8.250 nan 0.000 0.507 414 R N 0.718 121.362 120.500 0.240 0.000 2.633 414 R HA 0.276 4.615 4.340 -0.001 0.000 0.255 414 R C -1.945 174.527 176.300 0.285 0.000 1.106 414 R CA -0.406 55.822 56.100 0.213 0.000 0.959 414 R CB 0.991 31.335 30.300 0.073 0.000 1.259 414 R HN -0.040 nan 8.270 nan 0.000 0.453 415 L N 3.981 125.412 121.223 0.346 0.000 2.346 415 L HA 0.732 5.071 4.340 -0.001 0.000 0.274 415 L C -0.782 176.159 176.870 0.120 0.000 1.007 415 L CA -1.207 53.823 54.840 0.317 0.000 0.818 415 L CB 2.238 44.559 42.059 0.437 0.000 1.284 415 L HN 0.329 nan 8.230 nan 0.000 0.424 416 V N 3.121 123.099 119.914 0.106 0.000 2.686 416 V HA 0.617 4.736 4.120 -0.001 0.000 0.306 416 V C -0.842 175.392 176.094 0.234 0.000 1.065 416 V CA -0.622 61.609 62.300 -0.115 0.000 0.894 416 V CB 1.639 33.133 31.823 -0.548 0.000 1.004 416 V HN 0.661 nan 8.190 nan 0.000 0.424 417 F N 1.472 121.520 119.950 0.163 0.000 2.741 417 F HA 0.807 5.333 4.527 -0.001 0.000 0.311 417 F C -1.147 174.797 175.800 0.240 0.000 1.149 417 F CA -1.061 57.061 58.000 0.204 0.000 0.930 417 F CB 1.653 40.730 39.000 0.127 0.000 1.312 417 F HN 0.586 nan 8.300 nan 0.000 0.450 418 H N 0.800 120.065 119.070 0.325 0.000 2.600 418 H HA 0.425 4.980 4.556 -0.001 0.000 0.357 418 H C -1.483 173.832 175.328 -0.022 0.000 1.106 418 H CA -0.767 55.358 56.048 0.130 0.000 1.193 418 H CB 1.427 31.128 29.762 -0.102 0.000 1.594 418 H HN 0.766 nan 8.280 nan 0.000 0.526 419 N N 4.719 123.134 118.700 -0.475 0.000 2.439 419 N HA -0.015 4.724 4.740 -0.001 0.000 0.243 419 N C -0.026 175.246 175.510 -0.396 0.000 1.088 419 N CA -0.160 52.731 53.050 -0.265 0.000 0.940 419 N CB 0.182 38.636 38.487 -0.056 0.000 1.180 419 N HN 0.738 nan 8.380 nan 0.000 0.505 420 W N 2.739 124.126 121.300 0.145 0.000 2.436 420 W HA -0.063 4.596 4.660 -0.001 0.000 0.284 420 W C 2.035 178.637 176.519 0.138 0.000 1.225 420 W CA 0.056 57.542 57.345 0.235 0.000 1.271 420 W CB -0.009 29.628 29.460 0.295 0.000 1.114 420 W HN 0.343 nan 8.180 nan 0.000 0.559 421 V N 0.703 120.785 119.914 0.280 0.000 2.358 421 V HA -0.248 3.871 4.120 -0.001 0.000 0.246 421 V C 1.924 178.070 176.094 0.087 0.000 1.047 421 V CA 1.785 64.176 62.300 0.153 0.000 1.035 421 V CB -0.631 31.261 31.823 0.115 0.000 0.658 421 V HN 0.138 nan 8.190 nan 0.000 0.452 422 K N -0.324 120.114 120.400 0.064 0.000 2.418 422 K HA -0.003 4.316 4.320 -0.001 0.000 0.195 422 K C 0.647 177.250 176.600 0.004 0.000 1.035 422 K CA -0.007 56.294 56.287 0.023 0.000 1.003 422 K CB -0.008 32.503 32.500 0.019 0.000 0.793 422 K HN 0.354 nan 8.250 nan 0.000 0.494 423 D N 2.259 122.680 120.400 0.034 0.000 2.382 423 D HA -0.074 4.565 4.640 -0.001 0.000 0.259 423 D C 0.789 177.093 176.300 0.007 0.000 1.224 423 D CA 0.201 54.237 54.000 0.060 0.000 0.894 423 D CB 0.900 41.847 40.800 0.246 0.000 1.127 423 D HN 0.306 nan 8.370 nan 0.000 0.487 424 E N 2.834 122.909 120.200 -0.208 0.000 2.347 424 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 424 E C 0.649 177.022 176.600 -0.378 0.000 1.008 424 E CA 0.763 56.946 56.400 -0.363 0.000 0.852 424 E CB -0.225 29.127 29.700 -0.582 0.000 0.783 424 E HN 0.373 nan 8.360 nan 0.000 0.505 425 F N 0.164 120.200 119.950 0.142 0.000 2.727 425 F HA 0.483 5.010 4.527 -0.001 0.000 0.302 425 F C 1.509 177.438 175.800 0.216 0.000 1.097 425 F CA 0.106 58.197 58.000 0.152 0.000 1.330 425 F CB 0.778 39.847 39.000 0.114 0.000 1.084 425 F HN 0.193 nan 8.300 nan 0.000 0.578 426 A N -0.378 122.659 122.820 0.361 0.000 1.852 426 A HA 0.248 4.568 4.320 -0.001 0.000 0.205 426 A C 1.080 178.831 177.584 0.279 0.000 1.757 426 A CA -0.153 52.120 52.037 0.394 0.000 1.088 426 A CB 0.222 19.607 19.000 0.642 0.000 1.079 426 A HN 0.036 nan 8.150 nan 0.000 0.524 427 K N -0.214 120.317 120.400 0.217 0.000 3.150 427 K HA -0.076 4.243 4.320 -0.001 0.000 0.267 427 K C 0.219 176.855 176.600 0.061 0.000 1.028 427 K CA 0.519 56.869 56.287 0.105 0.000 0.753 427 K CB -2.034 30.501 32.500 0.057 0.000 1.288 427 K HN 1.914 nan 8.250 nan 0.000 0.473 428 G N -1.925 106.964 108.800 0.148 0.000 2.347 428 G HA2 0.367 4.326 3.960 -0.001 0.000 0.477 428 G HA3 0.367 4.326 3.960 -0.001 0.000 0.477 428 G C -0.798 174.243 174.900 0.235 0.000 1.349 428 G CA -0.323 44.841 45.100 0.106 0.000 1.000 428 G HN 0.490 nan 8.290 nan 0.000 0.605 429 A N -0.694 122.188 122.820 0.103 0.000 3.158 429 A HA 0.890 5.210 4.320 -0.001 0.000 0.217 429 A C 0.409 177.942 177.584 -0.084 0.000 1.469 429 A CA 0.234 52.214 52.037 -0.096 0.000 0.885 429 A CB -0.287 18.485 19.000 -0.380 0.000 1.662 429 A HN 2.247 nan 8.150 nan 0.000 0.512 430 W N -1.232 120.053 121.300 -0.025 0.000 2.456 430 W HA 0.250 4.909 4.660 -0.001 0.000 0.343 430 W C -0.313 176.096 176.519 -0.183 0.000 1.211 430 W CA -0.640 56.669 57.345 -0.061 0.000 1.353 430 W CB -0.323 29.098 29.460 -0.064 0.000 1.189 430 W HN 0.458 nan 8.180 nan 0.000 0.587 431 F N 4.680 124.510 119.950 -0.200 0.000 2.578 431 F HA 0.317 4.843 4.527 -0.001 0.000 0.376 431 F C -0.808 175.040 175.800 0.080 0.000 1.085 431 F CA -0.361 57.330 58.000 -0.515 0.000 1.260 431 F CB 0.068 38.959 39.000 -0.182 0.000 1.095 431 F HN 0.351 nan 8.300 nan 0.000 0.573 432 F N 5.088 124.522 119.950 -0.860 0.000 2.581 432 F HA 0.426 4.952 4.527 -0.001 0.000 0.311 432 F C -0.685 174.643 175.800 -0.788 0.000 1.113 432 F CA -0.643 57.029 58.000 -0.547 0.000 0.935 432 F CB 1.586 40.518 39.000 -0.113 0.000 1.232 432 F HN 0.548 nan 8.300 nan 0.000 0.445 433 S N 4.339 119.556 115.700 -0.805 0.000 2.646 433 S HA 0.656 5.126 4.470 -0.001 0.000 0.276 433 S C -0.138 174.387 174.600 -0.125 0.000 1.222 433 S CA -0.973 56.962 58.200 -0.441 0.000 1.014 433 S CB 1.496 64.595 63.200 -0.168 0.000 0.991 433 S HN 0.735 nan 8.310 nan 0.000 0.533 434 R N 0.827 121.295 120.500 -0.053 0.000 2.679 434 R HA 0.296 4.635 4.340 -0.001 0.000 0.269 434 R C -2.547 173.761 176.300 0.014 0.000 1.076 434 R CA -1.652 54.443 56.100 -0.009 0.000 1.160 434 R CB -0.325 29.977 30.300 0.002 0.000 1.054 434 R HN 0.418 nan 8.270 nan 0.000 0.507 435 P HA -0.066 nan 4.420 nan 0.000 0.260 435 P C 0.488 177.814 177.300 0.044 0.000 1.185 435 P CA 1.238 64.367 63.100 0.047 0.000 0.763 435 P CB 0.456 32.185 31.700 0.048 0.000 0.776 436 G N 3.753 112.584 108.800 0.052 0.000 2.268 436 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.240 436 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.240 436 G C 0.945 175.892 174.900 0.078 0.000 1.010 436 G CA 0.457 45.593 45.100 0.061 0.000 0.618 436 G HN 0.546 nan 8.290 nan 0.000 0.516 437 M N 0.854 120.501 119.600 0.078 0.000 2.067 437 M HA 0.033 4.513 4.480 -0.001 0.000 0.260 437 M C 2.403 178.783 176.300 0.133 0.000 1.069 437 M CA 2.878 58.239 55.300 0.102 0.000 1.117 437 M CB -0.339 32.329 32.600 0.112 0.000 1.334 437 M HN 0.202 nan 8.290 nan 0.000 0.407 438 V N 1.236 121.239 119.914 0.147 0.000 2.295 438 V HA -0.258 3.861 4.120 -0.001 0.000 0.246 438 V C 2.714 178.879 176.094 0.118 0.000 1.049 438 V CA 2.239 64.620 62.300 0.135 0.000 1.024 438 V CB -1.000 30.889 31.823 0.110 0.000 0.648 438 V HN 0.822 nan 8.190 nan 0.000 0.447 439 S N -0.621 115.169 115.700 0.149 0.000 2.423 439 S HA -0.202 4.267 4.470 -0.001 0.000 0.231 439 S C 1.832 176.612 174.600 0.299 0.000 1.014 439 S CA 1.533 59.906 58.200 0.289 0.000 0.965 439 S CB -0.288 63.130 63.200 0.364 0.000 0.785 439 S HN 0.750 nan 8.310 nan 0.000 0.495 440 E N -0.471 119.831 120.200 0.170 0.000 2.400 440 E HA 0.084 4.433 4.350 -0.001 0.000 0.195 440 E C 0.646 177.293 176.600 0.079 0.000 1.012 440 E CA 0.576 57.044 56.400 0.112 0.000 0.875 440 E CB 0.292 30.037 29.700 0.076 0.000 0.859 440 E HN 0.645 nan 8.360 nan 0.000 0.498 441 C N -0.481 118.867 119.300 0.080 0.000 3.637 441 C HA 0.184 4.643 4.460 -0.001 0.000 0.439 441 C C 1.996 176.986 174.990 -0.001 0.000 1.443 441 C CA -0.526 58.509 59.018 0.028 0.000 2.037 441 C CB -0.452 27.305 27.740 0.029 0.000 2.957 441 C HN 0.393 nan 8.230 nan 0.000 0.669 442 L N 2.172 123.416 121.223 0.036 0.000 2.043 442 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 442 L C 2.608 179.462 176.870 -0.026 0.000 1.075 442 L CA 2.367 57.210 54.840 0.004 0.000 0.752 442 L CB -0.752 41.321 42.059 0.023 0.000 0.891 442 L HN 0.531 nan 8.230 nan 0.000 0.432 443 Q N -1.207 118.604 119.800 0.018 0.000 2.049 443 Q HA -0.108 4.231 4.340 -0.001 0.000 0.198 443 Q C 2.114 178.080 176.000 -0.057 0.000 0.971 443 Q CA 1.513 57.325 55.803 0.014 0.000 0.833 443 Q CB -0.575 28.206 28.738 0.070 0.000 0.896 443 Q HN 0.530 nan 8.270 nan 0.000 0.434 444 G N 1.748 110.504 108.800 -0.074 0.000 2.476 444 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.218 444 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.218 444 G C 1.386 176.115 174.900 -0.286 0.000 1.164 444 G CA 1.103 46.116 45.100 -0.145 0.000 0.768 444 G HN 0.368 nan 8.290 nan 0.000 0.560 445 L N -0.380 120.619 121.223 -0.374 0.000 2.456 445 L HA 0.055 4.395 4.340 -0.001 0.000 0.224 445 L C 2.765 179.123 176.870 -0.855 0.000 1.148 445 L CA 0.612 54.993 54.840 -0.764 0.000 0.825 445 L CB -0.080 41.520 42.059 -0.765 0.000 0.937 445 L HN 0.174 nan 8.230 nan 0.000 0.450 446 R N -0.922 119.359 120.500 -0.365 0.000 2.365 446 R HA 0.152 4.491 4.340 -0.001 0.000 0.223 446 R C 0.367 176.642 176.300 -0.040 0.000 0.899 446 R CA -0.176 55.847 56.100 -0.129 0.000 1.059 446 R CB 0.379 30.693 30.300 0.023 0.000 1.086 446 R HN 0.334 nan 8.270 nan 0.000 0.522 447 E N 1.825 121.978 120.200 -0.079 0.000 2.404 447 E HA 0.045 4.394 4.350 -0.001 0.000 0.261 447 E C -0.396 176.241 176.600 0.062 0.000 1.074 447 E CA 0.256 56.650 56.400 -0.009 0.000 0.917 447 E CB 0.771 30.451 29.700 -0.032 0.000 0.965 447 E HN -0.029 nan 8.360 nan 0.000 0.433 448 K N 1.373 121.821 120.400 0.079 0.000 2.202 448 K HA 0.088 4.408 4.320 -0.001 0.000 0.264 448 K C 0.066 176.773 176.600 0.178 0.000 1.010 448 K CA -0.102 56.256 56.287 0.118 0.000 0.940 448 K CB 0.604 33.144 32.500 0.067 0.000 0.983 448 K HN 0.488 nan 8.250 nan 0.000 0.475 449 H N 1.330 120.448 119.070 0.080 0.000 2.379 449 H HA 0.126 4.682 4.556 -0.001 0.000 0.229 449 H C 0.403 175.756 175.328 0.042 0.000 1.423 449 H CA 0.533 56.632 56.048 0.084 0.000 1.375 449 H CB 0.098 29.989 29.762 0.216 0.000 1.592 449 H HN 0.981 nan 8.280 nan 0.000 0.507 450 G N 1.729 110.471 108.800 -0.097 0.000 2.559 450 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.282 450 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.282 450 G C 0.939 175.815 174.900 -0.041 0.000 1.177 450 G CA 0.043 45.079 45.100 -0.107 0.000 0.960 450 G HN 0.681 nan 8.290 nan 0.000 0.540 451 G N -0.476 108.306 108.800 -0.030 0.000 3.502 451 G HA2 0.533 4.492 3.960 -0.001 0.000 0.267 451 G HA3 0.533 4.492 3.960 -0.001 0.000 0.267 451 G C -0.135 174.755 174.900 -0.017 0.000 1.090 451 G CA 0.977 46.069 45.100 -0.014 0.000 0.795 451 G HN 1.186 nan 8.290 nan 0.000 0.535 452 V N 1.357 121.260 119.914 -0.017 0.000 2.384 452 V HA 0.342 4.461 4.120 -0.001 0.000 0.287 452 V C -0.279 175.701 176.094 -0.191 0.000 1.020 452 V CA -0.704 61.529 62.300 -0.112 0.000 0.850 452 V CB 1.819 33.572 31.823 -0.117 0.000 0.987 452 V HN -0.030 nan 8.190 nan 0.000 0.436 453 V N 5.822 125.619 119.914 -0.196 0.000 2.350 453 V HA 0.416 4.535 4.120 -0.001 0.000 0.276 453 V C -0.370 175.630 176.094 -0.156 0.000 1.028 453 V CA -0.406 61.832 62.300 -0.104 0.000 0.860 453 V CB 1.026 32.838 31.823 -0.019 0.000 0.990 453 V HN 0.634 nan 8.190 nan 0.000 0.453 454 F N 3.716 123.741 119.950 0.124 0.000 2.421 454 F HA 0.661 5.188 4.527 -0.001 0.000 0.358 454 F C 0.600 176.706 175.800 0.511 0.000 1.115 454 F CA -0.223 57.921 58.000 0.241 0.000 1.160 454 F CB 1.224 40.228 39.000 0.006 0.000 1.123 454 F HN 0.548 nan 8.300 nan 0.000 0.508 455 A N 4.651 127.858 122.820 0.645 0.000 2.414 455 A HA 0.616 4.935 4.320 -0.001 0.000 0.286 455 A C -1.122 176.432 177.584 -0.050 0.000 1.073 455 A CA -0.570 51.666 52.037 0.331 0.000 0.727 455 A CB 1.173 20.265 19.000 0.153 0.000 1.215 455 A HN 0.669 nan 8.150 nan 0.000 0.430 456 N N 1.003 119.285 118.700 -0.697 0.000 2.484 456 N HA 0.182 4.921 4.740 -0.001 0.000 0.269 456 N C 0.754 175.766 175.510 -0.830 0.000 1.237 456 N CA 0.171 52.708 53.050 -0.855 0.000 0.838 456 N CB 2.319 40.090 38.487 -1.192 0.000 1.593 456 N HN 0.400 nan 8.380 nan 0.000 0.485 457 S N 0.962 116.403 115.700 -0.432 0.000 2.402 457 S HA -0.157 4.312 4.470 -0.001 0.000 0.233 457 S C 0.720 175.109 174.600 -0.351 0.000 1.030 457 S CA 1.694 59.733 58.200 -0.268 0.000 1.003 457 S CB -0.200 62.953 63.200 -0.077 0.000 0.813 457 S HN 0.566 nan 8.310 nan 0.000 0.477 458 D N 0.300 120.396 120.400 -0.507 0.000 2.228 458 D HA -0.127 4.512 4.640 -0.001 0.000 0.203 458 D C 0.896 176.797 176.300 -0.666 0.000 0.988 458 D CA 1.246 54.940 54.000 -0.510 0.000 0.864 458 D CB -0.224 40.423 40.800 -0.256 0.000 0.928 458 D HN 0.913 nan 8.370 nan 0.000 0.469 459 W N -0.355 120.743 121.300 -0.337 0.000 2.128 459 W HA 0.745 5.404 4.660 -0.001 0.000 0.356 459 W C -0.243 176.181 176.519 -0.158 0.000 0.891 459 W CA -1.273 55.886 57.345 -0.310 0.000 2.408 459 W CB -0.611 28.711 29.460 -0.229 0.000 1.234 459 W HN -0.155 nan 8.180 nan 0.000 0.597 460 A N 1.069 123.815 122.820 -0.122 0.000 2.386 460 A HA 0.378 4.697 4.320 -0.001 0.000 0.246 460 A C 0.875 178.457 177.584 -0.003 0.000 1.089 460 A CA 0.080 52.095 52.037 -0.036 0.000 0.790 460 A CB 0.684 19.659 19.000 -0.042 0.000 1.042 460 A HN 0.367 nan 8.150 nan 0.000 0.497 461 L N 0.822 122.069 121.223 0.041 0.000 2.202 461 L HA 0.149 4.489 4.340 -0.001 0.000 0.205 461 L C 2.197 179.060 176.870 -0.011 0.000 1.083 461 L CA 2.136 57.004 54.840 0.047 0.000 0.790 461 L CB -1.593 40.554 42.059 0.146 0.000 0.942 461 L HN 0.875 nan 8.230 nan 0.000 0.452 462 G N -2.196 106.596 108.800 -0.013 0.000 2.568 462 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.212 462 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.212 462 G C -0.285 174.466 174.900 -0.248 0.000 1.821 462 G CA -0.311 44.599 45.100 -0.316 0.000 0.904 462 G HN 0.278 nan 8.290 nan 0.000 0.566 463 W N 2.673 123.939 121.300 -0.057 0.000 1.830 463 W HA 0.434 5.094 4.660 -0.001 0.000 0.461 463 W C 1.080 177.697 176.519 0.163 0.000 0.613 463 W CA -0.865 56.424 57.345 -0.094 0.000 2.422 463 W CB -0.353 28.949 29.460 -0.263 0.000 1.059 463 W HN 0.100 nan 8.180 nan 0.000 0.479 464 R N 1.877 122.527 120.500 0.250 0.000 2.537 464 R HA 0.006 4.345 4.340 -0.001 0.000 0.281 464 R C 1.383 177.875 176.300 0.320 0.000 0.988 464 R CA 1.650 57.856 56.100 0.177 0.000 1.077 464 R CB 0.425 30.742 30.300 0.028 0.000 0.932 464 R HN 0.434 nan 8.270 nan 0.000 0.409 465 S N 1.246 117.066 115.700 0.199 0.000 2.659 465 S HA -0.182 4.288 4.470 -0.001 0.000 0.264 465 S C -0.279 174.261 174.600 -0.100 0.000 1.310 465 S CA 0.800 59.095 58.200 0.157 0.000 1.262 465 S CB -2.025 61.392 63.200 0.361 0.000 1.548 465 S HN 0.491 nan 8.310 nan 0.000 0.657 466 F N 0.819 120.793 119.950 0.041 0.000 2.509 466 F HA 0.681 5.207 4.527 -0.001 0.000 0.334 466 F C 2.012 177.824 175.800 0.021 0.000 1.060 466 F CA -0.750 57.239 58.000 -0.018 0.000 0.997 466 F CB 0.410 39.373 39.000 -0.063 0.000 1.271 466 F HN -0.033 nan 8.300 nan 0.000 0.488 467 I N 0.479 121.170 120.570 0.203 0.000 2.151 467 I HA -0.340 3.829 4.170 -0.001 0.000 0.243 467 I C 2.288 178.471 176.117 0.110 0.000 1.080 467 I CA 1.789 63.167 61.300 0.129 0.000 1.339 467 I CB -0.313 37.716 38.000 0.048 0.000 1.039 467 I HN 0.721 nan 8.210 nan 0.000 0.409 468 D N 1.110 121.581 120.400 0.118 0.000 2.133 468 D HA -0.190 4.449 4.640 -0.001 0.000 0.195 468 D C 2.125 178.518 176.300 0.154 0.000 0.997 468 D CA 1.860 55.941 54.000 0.135 0.000 0.840 468 D CB -0.085 40.714 40.800 -0.002 0.000 0.947 468 D HN 0.406 nan 8.370 nan 0.000 0.452 469 G N 0.554 109.468 108.800 0.191 0.000 2.422 469 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.218 469 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.218 469 G C 1.787 176.679 174.900 -0.013 0.000 1.146 469 G CA 1.296 46.452 45.100 0.094 0.000 0.769 469 G HN 0.445 nan 8.290 nan 0.000 0.547 470 A N 0.871 123.705 122.820 0.024 0.000 1.883 470 A HA -0.001 4.318 4.320 -0.001 0.000 0.217 470 A C 2.394 179.979 177.584 0.002 0.000 1.186 470 A CA 1.444 53.481 52.037 -0.001 0.000 0.624 470 A CB -0.368 18.679 19.000 0.079 0.000 0.822 470 A HN 0.381 nan 8.150 nan 0.000 0.444 471 I N -0.626 119.966 120.570 0.037 0.000 2.252 471 I HA -0.232 3.937 4.170 -0.001 0.000 0.245 471 I C 2.534 178.649 176.117 -0.003 0.000 1.102 471 I CA 1.575 62.916 61.300 0.069 0.000 1.385 471 I CB -0.379 37.730 38.000 0.181 0.000 1.064 471 I HN 0.523 nan 8.210 nan 0.000 0.414 472 E N 1.257 121.329 120.200 -0.213 0.000 2.049 472 E HA -0.291 4.059 4.350 -0.001 0.000 0.198 472 E C 2.036 178.548 176.600 -0.147 0.000 1.007 472 E CA 1.596 57.714 56.400 -0.470 0.000 0.809 472 E CB 0.020 29.279 29.700 -0.736 0.000 0.749 472 E HN 0.400 nan 8.360 nan 0.000 0.450 473 E N -0.282 119.859 120.200 -0.098 0.000 2.072 473 E HA -0.124 4.225 4.350 -0.001 0.000 0.191 473 E C 2.066 178.668 176.600 0.003 0.000 0.985 473 E CA 1.021 57.396 56.400 -0.042 0.000 0.801 473 E CB -0.599 29.032 29.700 -0.116 0.000 0.750 473 E HN 0.467 nan 8.360 nan 0.000 0.452 474 G N 0.571 109.373 108.800 0.002 0.000 2.469 474 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 474 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 474 G C 1.721 176.656 174.900 0.058 0.000 1.150 474 G CA 1.608 46.728 45.100 0.032 0.000 0.763 474 G HN 0.251 nan 8.290 nan 0.000 0.561 475 T N 0.019 114.616 114.554 0.072 0.000 2.708 475 T HA -0.077 4.273 4.350 -0.001 0.000 0.266 475 T C 2.313 177.059 174.700 0.076 0.000 1.037 475 T CA 1.227 63.382 62.100 0.093 0.000 1.146 475 T CB -0.138 68.805 68.868 0.126 0.000 0.865 475 T HN 0.298 nan 8.240 nan 0.000 0.435 476 R N 0.906 121.444 120.500 0.064 0.000 2.096 476 R HA -0.130 4.209 4.340 -0.001 0.000 0.240 476 R C 2.604 178.940 176.300 0.061 0.000 1.139 476 R CA 1.605 57.745 56.100 0.067 0.000 0.952 476 R CB -0.519 29.824 30.300 0.072 0.000 0.854 476 R HN 0.381 nan 8.270 nan 0.000 0.436 477 A N 0.738 123.593 122.820 0.058 0.000 1.865 477 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 477 A C 2.394 179.987 177.584 0.016 0.000 1.191 477 A CA 1.986 54.050 52.037 0.044 0.000 0.623 477 A CB -0.983 18.044 19.000 0.044 0.000 0.826 477 A HN 0.566 nan 8.150 nan 0.000 0.444 478 A N -0.415 122.419 122.820 0.023 0.000 1.940 478 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 478 A C 2.210 179.799 177.584 0.008 0.000 1.176 478 A CA 2.076 54.119 52.037 0.009 0.000 0.631 478 A CB -0.423 18.607 19.000 0.049 0.000 0.814 478 A HN 0.583 nan 8.150 nan 0.000 0.446 479 R N -0.925 119.597 120.500 0.036 0.000 2.153 479 R HA 0.055 4.394 4.340 -0.001 0.000 0.218 479 R C 1.640 177.957 176.300 0.027 0.000 1.072 479 R CA 1.246 57.373 56.100 0.045 0.000 0.990 479 R CB -0.386 29.950 30.300 0.060 0.000 0.889 479 R HN 0.204 nan 8.270 nan 0.000 0.452 480 V N 0.006 119.930 119.914 0.016 0.000 2.548 480 V HA -0.117 4.002 4.120 -0.001 0.000 0.249 480 V C 1.546 177.624 176.094 -0.027 0.000 1.055 480 V CA 1.260 63.565 62.300 0.008 0.000 1.065 480 V CB 0.219 32.053 31.823 0.019 0.000 0.681 480 V HN 0.181 nan 8.190 nan 0.000 0.462 481 V N 1.872 121.743 119.914 -0.072 0.000 3.559 481 V HA -0.020 4.099 4.120 -0.001 0.000 0.272 481 V C -0.147 175.831 176.094 -0.193 0.000 1.235 481 V CA 0.699 62.900 62.300 -0.165 0.000 1.192 481 V CB -1.041 30.629 31.823 -0.256 0.000 0.930 481 V HN 0.330 nan 8.190 nan 0.000 0.492 482 L N -0.850 120.339 121.223 -0.056 0.000 2.491 482 L HA 0.530 4.869 4.340 -0.001 0.000 0.267 482 L C 0.377 177.270 176.870 0.038 0.000 0.971 482 L CA -0.796 54.058 54.840 0.023 0.000 0.857 482 L CB 0.743 42.876 42.059 0.123 0.000 1.226 482 L HN 0.066 nan 8.230 nan 0.000 0.408 483 E N -0.224 119.996 120.200 0.034 0.000 4.153 483 E HA -0.249 4.100 4.350 -0.001 0.000 0.376 483 E C 0.168 176.785 176.600 0.028 0.000 0.598 483 E CA 1.744 58.156 56.400 0.019 0.000 1.343 483 E CB 0.026 29.722 29.700 -0.007 0.000 1.793 483 E HN 0.808 nan 8.360 nan 0.000 0.392 484 E N 0.000 120.240 120.200 0.066 0.000 2.725 484 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 484 E CA 0.000 56.470 56.400 0.117 0.000 0.976 484 E CB 0.000 29.768 29.700 0.114 0.000 0.812 484 E HN 0.000 nan 8.360 nan 0.000 0.440