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 1hqy_1_E DATA FIRST_RESID 1 DATA SEQUENCE HSEMTPREIV SELDKHIIGQ DNAKRSVAIA LRNRWRRMQL NEELRHEVTP DATA SEQUENCE KNILMIGPTG VGKTEIARRL AKLANAPFIK VEATKFTEVG YVGKEVDSII DATA SEQUENCE RDLTDAAVKM VRVQAIEKNR YRAEELAEER ILDVLIPPAK NNWGQTEQQQ DATA SEQUENCE EPSAARQAFR KKLREGQLDD KEIEXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXK QKARKLKIKD AMKLLIEEEA AKLVNPEELK QDAIDAVEQH DATA SEQUENCE GIVFIDEIDK ICKRGESSGP DVSREGVQRD LLPLVEGCTV STKHGMVKTD DATA SEQUENCE HILFIASGAF QIAKPSDLIP ELQGRLPIRV ELQALTTSDF ERILTEPNAS DATA SEQUENCE ITVQYKALMA TEGVNIEFTD SGIKRIAEAA WQVNESTENI GARRLHTVLE DATA SEQUENCE RLMEEISYDA SDLSGQNITI DADYVSKHLD ALVADEDLSR FIL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.358 175.328 0.049 0.000 0.993 1 H CA 0.000 56.086 56.048 0.062 0.000 1.023 1 H CB 0.000 29.697 29.762 -0.109 0.000 1.292 2 S N 1.509 117.289 115.700 0.134 0.000 2.561 2 S HA -0.079 4.391 4.470 -0.000 0.000 0.294 2 S C 0.706 175.267 174.600 -0.065 0.000 1.294 2 S CA 0.379 58.589 58.200 0.015 0.000 1.055 2 S CB 0.393 63.584 63.200 -0.015 0.000 0.819 2 S HN 0.431 nan 8.310 nan 0.000 0.503 3 E N 3.156 123.266 120.200 -0.150 0.000 2.501 3 E HA 0.157 4.507 4.350 -0.000 0.000 0.200 3 E C -0.215 176.141 176.600 -0.408 0.000 1.016 3 E CA -0.155 56.029 56.400 -0.361 0.000 0.921 3 E CB 0.206 29.785 29.700 -0.201 0.000 1.034 3 E HN 0.637 nan 8.360 nan 0.000 0.468 4 M N 2.295 121.736 119.600 -0.265 0.000 2.239 4 M HA 0.035 4.515 4.480 -0.000 0.000 0.348 4 M C 0.617 176.771 176.300 -0.243 0.000 1.239 4 M CA 0.211 55.387 55.300 -0.208 0.000 1.114 4 M CB 0.588 33.117 32.600 -0.118 0.000 1.641 4 M HN 0.013 nan 8.290 nan 0.000 0.453 5 T N 1.022 115.454 114.554 -0.203 0.000 2.898 5 T HA 0.187 4.537 4.350 -0.000 0.000 0.301 5 T C -2.093 172.550 174.700 -0.096 0.000 1.049 5 T CA -1.573 60.427 62.100 -0.168 0.000 1.095 5 T CB 0.522 69.318 68.868 -0.120 0.000 0.976 5 T HN 0.410 nan 8.240 nan 0.000 0.539 6 P HA -0.165 nan 4.420 nan 0.000 0.216 6 P C 1.729 179.016 177.300 -0.022 0.000 1.157 6 P CA 1.126 64.212 63.100 -0.024 0.000 0.880 6 P CB 0.035 31.734 31.700 -0.001 0.000 0.791 7 R N -0.022 120.464 120.500 -0.024 0.000 2.117 7 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 7 R C 2.097 178.383 176.300 -0.025 0.000 1.143 7 R CA 1.727 57.815 56.100 -0.019 0.000 0.968 7 R CB -0.379 29.910 30.300 -0.019 0.000 0.863 7 R HN 0.230 nan 8.270 nan 0.000 0.444 8 E N -0.228 119.948 120.200 -0.040 0.000 2.152 8 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 8 E C 1.851 178.432 176.600 -0.033 0.000 0.983 8 E CA 0.750 57.125 56.400 -0.042 0.000 0.818 8 E CB 0.128 29.791 29.700 -0.062 0.000 0.758 8 E HN 0.279 nan 8.360 nan 0.000 0.467 9 I N 0.449 121.000 120.570 -0.031 0.000 2.202 9 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 9 I C 2.292 178.407 176.117 -0.004 0.000 1.091 9 I CA 0.992 62.282 61.300 -0.018 0.000 1.368 9 I CB -0.982 37.009 38.000 -0.014 0.000 1.058 9 I HN 0.033 nan 8.210 nan 0.000 0.410 10 V N 0.219 120.132 119.914 -0.001 0.000 2.392 10 V HA -0.266 3.853 4.120 -0.000 0.000 0.249 10 V C 2.740 178.836 176.094 0.004 0.000 1.059 10 V CA 1.935 64.239 62.300 0.007 0.000 1.051 10 V CB -0.727 31.101 31.823 0.007 0.000 0.658 10 V HN 0.379 nan 8.190 nan 0.000 0.455 11 S N -0.448 115.249 115.700 -0.005 0.000 2.348 11 S HA -0.242 4.228 4.470 -0.000 0.000 0.221 11 S C 2.057 176.652 174.600 -0.009 0.000 1.033 11 S CA 1.864 60.058 58.200 -0.011 0.000 1.010 11 S CB -0.249 62.941 63.200 -0.017 0.000 0.891 11 S HN 0.669 nan 8.310 nan 0.000 0.442 12 E N 0.331 120.530 120.200 -0.002 0.000 2.338 12 E HA -0.014 4.336 4.350 -0.000 0.000 0.197 12 E C 1.556 178.187 176.600 0.053 0.000 1.007 12 E CA 0.542 56.950 56.400 0.014 0.000 0.849 12 E CB -0.200 29.508 29.700 0.013 0.000 0.774 12 E HN 0.322 nan 8.360 nan 0.000 0.506 13 L N 0.389 121.638 121.223 0.043 0.000 2.307 13 L HA 0.042 4.382 4.340 -0.000 0.000 0.211 13 L C 1.155 178.055 176.870 0.049 0.000 1.099 13 L CA 1.130 56.011 54.840 0.068 0.000 0.816 13 L CB -0.197 41.886 42.059 0.040 0.000 0.952 13 L HN 0.021 nan 8.230 nan 0.000 0.455 14 D N -0.239 120.167 120.400 0.010 0.000 2.310 14 D HA -0.136 4.504 4.640 -0.000 0.000 0.212 14 D C 1.828 178.093 176.300 -0.059 0.000 0.965 14 D CA 0.732 54.725 54.000 -0.011 0.000 0.879 14 D CB 0.123 40.914 40.800 -0.015 0.000 0.921 14 D HN 0.305 nan 8.370 nan 0.000 0.510 15 K N -0.528 119.803 120.400 -0.115 0.000 2.432 15 K HA -0.015 4.305 4.320 -0.000 0.000 0.196 15 K C 1.084 177.353 176.600 -0.552 0.000 1.038 15 K CA 0.689 56.790 56.287 -0.311 0.000 0.986 15 K CB 0.300 32.570 32.500 -0.383 0.000 0.782 15 K HN 0.348 nan 8.250 nan 0.000 0.485 16 H N -1.222 117.838 119.070 -0.017 0.000 3.400 16 H HA 0.225 4.781 4.556 -0.000 0.000 0.251 16 H C -0.178 175.144 175.328 -0.011 0.000 1.040 16 H CA -0.019 56.017 56.048 -0.020 0.000 1.175 16 H CB 0.996 30.737 29.762 -0.035 0.000 1.487 16 H HN -0.053 nan 8.280 nan 0.000 0.505 17 I N 2.500 123.121 120.570 0.085 0.000 2.436 17 I HA 0.167 4.337 4.170 -0.000 0.000 0.289 17 I C -0.233 175.910 176.117 0.042 0.000 1.010 17 I CA -0.482 60.855 61.300 0.062 0.000 1.098 17 I CB 2.284 40.320 38.000 0.060 0.000 1.266 17 I HN -0.086 nan 8.210 nan 0.000 0.434 18 I N 5.542 126.141 120.570 0.047 0.000 2.441 18 I HA 0.418 4.588 4.170 -0.000 0.000 0.287 18 I C 1.203 177.352 176.117 0.054 0.000 1.049 18 I CA 0.403 61.731 61.300 0.046 0.000 1.381 18 I CB -0.008 38.027 38.000 0.058 0.000 1.409 18 I HN 0.851 nan 8.210 nan 0.000 0.523 19 G N 6.629 115.455 108.800 0.043 0.000 2.598 19 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.269 19 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.269 19 G C -0.083 174.846 174.900 0.048 0.000 1.289 19 G CA -0.028 45.099 45.100 0.044 0.000 0.926 19 G HN 0.725 nan 8.290 nan 0.000 0.567 20 Q N -1.647 118.184 119.800 0.052 0.000 2.464 20 Q HA -0.207 4.133 4.340 -0.000 0.000 0.304 20 Q C 0.671 176.699 176.000 0.047 0.000 1.401 20 Q CA 1.677 57.514 55.803 0.055 0.000 0.806 20 Q CB -1.833 26.944 28.738 0.066 0.000 1.134 20 Q HN 0.964 nan 8.270 nan 0.000 0.411 21 D N 0.466 120.889 120.400 0.039 0.000 2.123 21 D HA -0.081 4.559 4.640 -0.000 0.000 0.200 21 D C 1.447 177.767 176.300 0.034 0.000 0.976 21 D CA 1.776 55.795 54.000 0.033 0.000 0.831 21 D CB 0.094 40.909 40.800 0.025 0.000 0.974 21 D HN 0.544 nan 8.370 nan 0.000 0.469 22 N N -0.468 118.253 118.700 0.036 0.000 2.104 22 N HA -0.184 4.556 4.740 -0.000 0.000 0.190 22 N C 1.710 177.246 175.510 0.044 0.000 1.024 22 N CA 1.055 54.126 53.050 0.036 0.000 0.853 22 N CB -0.115 38.393 38.487 0.035 0.000 1.008 22 N HN 0.197 nan 8.380 nan 0.000 0.424 23 A N 1.093 123.944 122.820 0.053 0.000 2.014 23 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 23 A C 1.976 179.597 177.584 0.062 0.000 1.163 23 A CA 1.106 53.182 52.037 0.065 0.000 0.652 23 A CB -0.121 18.927 19.000 0.080 0.000 0.808 23 A HN 0.181 nan 8.150 nan 0.000 0.449 24 K N -0.436 119.995 120.400 0.051 0.000 2.025 24 K HA -0.069 4.251 4.320 -0.000 0.000 0.207 24 K C 2.279 178.903 176.600 0.039 0.000 1.049 24 K CA 1.323 57.637 56.287 0.044 0.000 0.933 24 K CB -0.167 32.354 32.500 0.036 0.000 0.714 24 K HN 0.373 nan 8.250 nan 0.000 0.438 25 R N 0.403 120.924 120.500 0.036 0.000 2.081 25 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 25 R C 2.490 178.813 176.300 0.040 0.000 1.131 25 R CA 1.511 57.630 56.100 0.032 0.000 0.960 25 R CB -0.246 30.071 30.300 0.029 0.000 0.856 25 R HN 0.066 nan 8.270 nan 0.000 0.436 26 S N 0.327 116.055 115.700 0.046 0.000 2.356 26 S HA -0.106 4.364 4.470 -0.000 0.000 0.223 26 S C 1.973 176.610 174.600 0.062 0.000 1.032 26 S CA 1.091 59.322 58.200 0.052 0.000 1.005 26 S CB -0.178 63.056 63.200 0.056 0.000 0.867 26 S HN 0.108 nan 8.310 nan 0.000 0.449 27 V N 1.426 121.380 119.914 0.067 0.000 2.809 27 V HA -0.065 4.055 4.120 -0.000 0.000 0.256 27 V C 2.260 178.391 176.094 0.060 0.000 1.080 27 V CA 1.345 63.690 62.300 0.075 0.000 1.102 27 V CB -0.645 31.226 31.823 0.081 0.000 0.705 27 V HN 0.498 nan 8.190 nan 0.000 0.475 28 A N -0.230 122.619 122.820 0.048 0.000 1.874 28 A HA -0.092 4.228 4.320 -0.000 0.000 0.214 28 A C 1.989 179.599 177.584 0.043 0.000 1.189 28 A CA 1.528 53.587 52.037 0.036 0.000 0.615 28 A CB -0.474 18.540 19.000 0.024 0.000 0.830 28 A HN 0.440 nan 8.150 nan 0.000 0.443 29 I N 0.496 121.095 120.570 0.049 0.000 2.208 29 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 29 I C 2.881 179.043 176.117 0.075 0.000 1.097 29 I CA 1.355 62.691 61.300 0.059 0.000 1.363 29 I CB -0.482 37.552 38.000 0.056 0.000 1.051 29 I HN 0.326 nan 8.210 nan 0.000 0.413 30 A N 0.040 122.905 122.820 0.075 0.000 1.892 30 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 30 A C 2.408 180.049 177.584 0.094 0.000 1.188 30 A CA 1.864 53.952 52.037 0.086 0.000 0.631 30 A CB -1.034 18.019 19.000 0.088 0.000 0.822 30 A HN 0.421 nan 8.150 nan 0.000 0.447 31 L N -1.346 119.927 121.223 0.083 0.000 1.994 31 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 31 L C 2.764 179.701 176.870 0.112 0.000 1.071 31 L CA 1.872 56.764 54.840 0.087 0.000 0.745 31 L CB -0.293 41.800 42.059 0.057 0.000 0.892 31 L HN 0.401 nan 8.230 nan 0.000 0.431 32 R N 0.622 121.179 120.500 0.094 0.000 2.170 32 R HA -0.209 4.131 4.340 -0.000 0.000 0.242 32 R C 1.685 178.129 176.300 0.239 0.000 1.145 32 R CA 1.985 58.161 56.100 0.128 0.000 0.984 32 R CB -0.774 29.570 30.300 0.074 0.000 0.869 32 R HN 0.497 nan 8.270 nan 0.000 0.455 33 N N -0.589 118.217 118.700 0.176 0.000 2.270 33 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 33 N C 1.416 177.022 175.510 0.160 0.000 1.016 33 N CA 0.781 53.929 53.050 0.164 0.000 0.870 33 N CB 0.013 38.570 38.487 0.117 0.000 0.979 33 N HN 0.154 nan 8.380 nan 0.000 0.431 34 R N -0.331 120.267 120.500 0.163 0.000 2.120 34 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 34 R C 1.704 178.108 176.300 0.172 0.000 1.123 34 R CA 1.043 57.224 56.100 0.135 0.000 0.975 34 R CB -0.378 30.006 30.300 0.140 0.000 0.866 34 R HN 0.473 nan 8.270 nan 0.000 0.446 35 W N 2.008 123.331 121.300 0.039 0.000 2.444 35 W HA -0.062 4.598 4.660 -0.000 0.000 0.308 35 W C 2.104 178.639 176.519 0.027 0.000 1.183 35 W CA 0.966 58.335 57.345 0.040 0.000 1.340 35 W CB -0.189 29.296 29.460 0.042 0.000 1.138 35 W HN -0.177 nan 8.180 nan 0.000 0.510 36 R N 0.093 120.712 120.500 0.198 0.000 2.154 36 R HA -0.250 4.090 4.340 -0.000 0.000 0.248 36 R C 2.350 178.558 176.300 -0.152 0.000 1.155 36 R CA 2.062 58.130 56.100 -0.052 0.000 0.979 36 R CB -0.590 29.796 30.300 0.143 0.000 0.869 36 R HN 0.276 nan 8.270 nan 0.000 0.452 37 R N 0.406 120.862 120.500 -0.072 0.000 2.057 37 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 37 R C 2.004 178.217 176.300 -0.145 0.000 1.136 37 R CA 1.280 57.330 56.100 -0.082 0.000 0.952 37 R CB -0.016 30.256 30.300 -0.047 0.000 0.848 37 R HN 0.037 nan 8.270 nan 0.000 0.430 38 M N 1.225 120.725 119.600 -0.166 0.000 2.521 38 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 38 M C 1.333 177.495 176.300 -0.230 0.000 1.068 38 M CA 1.323 56.518 55.300 -0.174 0.000 1.060 38 M CB -0.525 31.998 32.600 -0.127 0.000 1.398 38 M HN 0.233 nan 8.290 nan 0.000 0.473 39 Q N -0.090 119.511 119.800 -0.333 0.000 2.425 39 Q HA 0.280 4.620 4.340 -0.000 0.000 0.204 39 Q C 1.106 176.983 176.000 -0.204 0.000 0.933 39 Q CA 0.250 55.842 55.803 -0.351 0.000 0.939 39 Q CB 0.144 28.534 28.738 -0.579 0.000 1.044 39 Q HN 0.473 nan 8.270 nan 0.000 0.513 40 L N 1.762 122.895 121.223 -0.151 0.000 2.567 40 L HA 0.169 4.509 4.340 -0.000 0.000 0.238 40 L C 0.988 177.822 176.870 -0.060 0.000 1.168 40 L CA -0.812 53.976 54.840 -0.086 0.000 0.817 40 L CB 0.105 42.131 42.059 -0.056 0.000 1.409 40 L HN 0.112 nan 8.230 nan 0.000 0.502 41 N N -0.318 118.365 118.700 -0.028 0.000 2.448 41 N HA 0.022 4.762 4.740 -0.000 0.000 0.274 41 N C 0.465 175.990 175.510 0.025 0.000 1.239 41 N CA -0.509 52.536 53.050 -0.008 0.000 0.982 41 N CB 0.991 39.476 38.487 -0.003 0.000 1.199 41 N HN 0.582 nan 8.380 nan 0.000 0.576 42 E N 0.447 120.672 120.200 0.042 0.000 2.045 42 E HA -0.332 4.018 4.350 -0.000 0.000 0.212 42 E C 1.581 178.297 176.600 0.195 0.000 1.039 42 E CA 2.218 58.681 56.400 0.106 0.000 0.860 42 E CB -0.381 29.363 29.700 0.073 0.000 0.776 42 E HN 0.754 nan 8.360 nan 0.000 0.467 43 E N -0.100 120.151 120.200 0.085 0.000 2.007 43 E HA -0.234 4.116 4.350 -0.000 0.000 0.203 43 E C 2.282 178.971 176.600 0.148 0.000 1.020 43 E CA 1.752 58.180 56.400 0.047 0.000 0.845 43 E CB -0.501 29.194 29.700 -0.010 0.000 0.779 43 E HN 0.398 nan 8.360 nan 0.000 0.466 44 L N 0.439 121.712 121.223 0.085 0.000 2.456 44 L HA -0.200 4.140 4.340 -0.000 0.000 0.225 44 L C 2.682 179.608 176.870 0.093 0.000 1.142 44 L CA 0.919 55.803 54.840 0.074 0.000 0.796 44 L CB -0.346 41.733 42.059 0.032 0.000 0.920 44 L HN 0.181 nan 8.230 nan 0.000 0.446 45 R N -1.378 119.195 120.500 0.121 0.000 2.236 45 R HA -0.067 4.273 4.340 -0.000 0.000 0.208 45 R C 1.867 178.179 176.300 0.020 0.000 1.036 45 R CA 0.623 56.736 56.100 0.021 0.000 1.001 45 R CB -0.036 30.218 30.300 -0.075 0.000 0.896 45 R HN 0.479 nan 8.270 nan 0.000 0.464 46 H N -0.053 119.052 119.070 0.057 0.000 2.418 46 H HA 0.060 4.616 4.556 -0.000 0.000 0.300 46 H C 1.865 177.245 175.328 0.088 0.000 1.041 46 H CA 0.580 56.685 56.048 0.096 0.000 1.364 46 H CB 0.152 29.946 29.762 0.053 0.000 1.439 46 H HN 0.007 nan 8.280 nan 0.000 0.540 47 E N 0.994 121.313 120.200 0.199 0.000 2.038 47 E HA -0.072 4.278 4.350 -0.000 0.000 0.195 47 E C 0.571 177.226 176.600 0.092 0.000 1.000 47 E CA 0.541 57.006 56.400 0.109 0.000 0.803 47 E CB -0.666 29.078 29.700 0.073 0.000 0.750 47 E HN 0.124 nan 8.360 nan 0.000 0.448 48 V N 3.826 123.799 119.914 0.099 0.000 2.458 48 V HA -0.006 4.114 4.120 -0.000 0.000 0.287 48 V C 0.585 176.758 176.094 0.132 0.000 1.009 48 V CA 0.418 62.772 62.300 0.091 0.000 1.091 48 V CB -0.060 31.805 31.823 0.071 0.000 0.960 48 V HN 0.264 nan 8.190 nan 0.000 0.476 49 T N 4.579 119.185 114.554 0.087 0.000 2.950 49 T HA 0.629 4.979 4.350 -0.000 0.000 0.288 49 T C -2.640 172.112 174.700 0.087 0.000 1.035 49 T CA -2.258 59.880 62.100 0.064 0.000 1.028 49 T CB 1.601 70.460 68.868 -0.014 0.000 1.109 49 T HN 0.380 nan 8.240 nan 0.000 0.514 50 P HA 0.175 nan 4.420 nan 0.000 0.268 50 P C -0.535 176.818 177.300 0.088 0.000 1.208 50 P CA -0.392 62.773 63.100 0.108 0.000 0.777 50 P CB 0.294 32.068 31.700 0.124 0.000 0.875 51 K N 2.716 123.168 120.400 0.087 0.000 2.291 51 K HA 0.252 4.572 4.320 -0.000 0.000 0.242 51 K C -0.229 176.421 176.600 0.084 0.000 1.098 51 K CA -0.396 55.934 56.287 0.072 0.000 1.036 51 K CB -0.457 32.083 32.500 0.066 0.000 1.655 51 K HN 0.345 nan 8.250 nan 0.000 0.432 52 N N 2.167 120.923 118.700 0.093 0.000 2.454 52 N HA 0.111 4.851 4.740 -0.000 0.000 0.254 52 N C 0.292 175.849 175.510 0.079 0.000 1.228 52 N CA 0.224 53.343 53.050 0.115 0.000 0.900 52 N CB 0.863 39.431 38.487 0.134 0.000 1.089 52 N HN 0.337 nan 8.380 nan 0.000 0.449 53 I N 1.109 121.733 120.570 0.090 0.000 2.562 53 I HA 0.294 4.464 4.170 -0.000 0.000 0.301 53 I C -0.320 175.828 176.117 0.051 0.000 1.003 53 I CA -0.985 60.355 61.300 0.068 0.000 1.127 53 I CB 1.709 39.761 38.000 0.086 0.000 1.304 53 I HN 0.181 nan 8.210 nan 0.000 0.446 54 L N 6.562 127.803 121.223 0.030 0.000 2.353 54 L HA 0.513 4.853 4.340 -0.000 0.000 0.270 54 L C -0.715 176.179 176.870 0.041 0.000 1.003 54 L CA -0.192 54.662 54.840 0.023 0.000 0.862 54 L CB 0.927 42.974 42.059 -0.019 0.000 1.221 54 L HN 0.526 nan 8.230 nan 0.000 0.430 55 M N 5.971 125.617 119.600 0.077 0.000 2.162 55 M HA 0.403 4.883 4.480 -0.000 0.000 0.356 55 M C -0.731 175.659 176.300 0.150 0.000 1.303 55 M CA 0.260 55.627 55.300 0.112 0.000 1.116 55 M CB 0.835 33.531 32.600 0.161 0.000 1.632 55 M HN 0.448 nan 8.290 nan 0.000 0.469 56 I N 2.671 123.318 120.570 0.129 0.000 2.382 56 I HA 0.806 4.976 4.170 -0.000 0.000 0.286 56 I C 0.248 176.453 176.117 0.146 0.000 1.002 56 I CA -0.482 60.922 61.300 0.175 0.000 1.135 56 I CB 1.744 39.787 38.000 0.071 0.000 1.288 56 I HN 0.837 nan 8.210 nan 0.000 0.448 57 G N 6.527 115.425 108.800 0.162 0.000 2.377 57 G HA2 0.359 4.319 3.960 -0.000 0.000 0.297 57 G HA3 0.359 4.319 3.960 -0.000 0.000 0.297 57 G C -3.298 171.665 174.900 0.105 0.000 1.547 57 G CA -0.729 44.444 45.100 0.121 0.000 0.833 57 G HN 0.301 nan 8.290 nan 0.000 0.583 58 P HA 0.223 nan 4.420 nan 0.000 0.270 58 P C 0.829 178.167 177.300 0.063 0.000 1.227 58 P CA 0.254 63.390 63.100 0.059 0.000 0.788 58 P CB 0.377 32.104 31.700 0.046 0.000 0.926 59 T N -3.039 111.541 114.554 0.044 0.000 2.903 59 T HA 0.299 4.649 4.350 -0.000 0.000 0.314 59 T C 1.173 175.902 174.700 0.049 0.000 1.078 59 T CA 0.453 62.580 62.100 0.045 0.000 1.114 59 T CB -0.866 68.016 68.868 0.024 0.000 0.987 59 T HN 0.853 nan 8.240 nan 0.000 0.548 60 G N 1.233 110.063 108.800 0.050 0.000 2.341 60 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.292 60 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.292 60 G C 0.479 175.415 174.900 0.060 0.000 1.021 60 G CA 0.630 45.754 45.100 0.040 0.000 0.905 60 G HN 2.054 nan 8.290 nan 0.000 0.508 61 V N -3.836 116.127 119.914 0.081 0.000 3.427 61 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 61 V C 1.511 177.660 176.094 0.091 0.000 1.412 61 V CA 0.977 63.337 62.300 0.100 0.000 1.086 61 V CB 0.200 32.088 31.823 0.108 0.000 0.964 61 V HN 2.070 nan 8.190 nan 0.000 0.439 62 G N 0.614 109.460 108.800 0.077 0.000 2.205 62 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.180 62 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.180 62 G C 0.696 175.640 174.900 0.073 0.000 1.004 62 G CA 0.247 45.386 45.100 0.065 0.000 0.670 62 G HN 0.445 nan 8.290 nan 0.000 0.496 63 K N 0.137 120.604 120.400 0.112 0.000 1.985 63 K HA -0.049 4.271 4.320 -0.000 0.000 0.210 63 K C 2.541 179.199 176.600 0.097 0.000 1.047 63 K CA 1.954 58.351 56.287 0.184 0.000 0.932 63 K CB -0.460 32.218 32.500 0.296 0.000 0.716 63 K HN 0.278 nan 8.250 nan 0.000 0.439 64 T N 1.614 116.127 114.554 -0.069 0.000 2.746 64 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 64 T C 1.707 176.250 174.700 -0.263 0.000 1.039 64 T CA 1.154 62.994 62.100 -0.433 0.000 1.142 64 T CB -0.142 68.501 68.868 -0.375 0.000 0.866 64 T HN 0.173 nan 8.240 nan 0.000 0.444 65 E N 0.961 121.083 120.200 -0.129 0.000 2.058 65 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 65 E C 2.245 178.773 176.600 -0.120 0.000 0.997 65 E CA 0.859 57.189 56.400 -0.117 0.000 0.801 65 E CB -0.486 29.190 29.700 -0.040 0.000 0.746 65 E HN 0.515 nan 8.360 nan 0.000 0.450 66 I N 0.801 121.342 120.570 -0.048 0.000 2.194 66 I HA -0.314 3.856 4.170 -0.000 0.000 0.246 66 I C 2.378 178.460 176.117 -0.057 0.000 1.093 66 I CA 1.324 62.614 61.300 -0.017 0.000 1.355 66 I CB -0.300 37.729 38.000 0.049 0.000 1.046 66 I HN 0.024 nan 8.210 nan 0.000 0.413 67 A N 0.224 123.004 122.820 -0.066 0.000 1.929 67 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 67 A C 2.390 179.680 177.584 -0.490 0.000 1.176 67 A CA 1.284 53.283 52.037 -0.063 0.000 0.628 67 A CB -0.472 18.660 19.000 0.220 0.000 0.816 67 A HN 0.285 nan 8.150 nan 0.000 0.444 68 R N -0.982 119.091 120.500 -0.712 0.000 2.115 68 R HA -0.000 4.340 4.340 -0.000 0.000 0.226 68 R C 2.158 178.126 176.300 -0.554 0.000 1.100 68 R CA 0.830 56.337 56.100 -0.988 0.000 0.980 68 R CB -0.038 29.867 30.300 -0.658 0.000 0.875 68 R HN 0.287 nan 8.270 nan 0.000 0.445 69 R N 0.314 120.601 120.500 -0.355 0.000 2.153 69 R HA -0.023 4.317 4.340 -0.000 0.000 0.218 69 R C 2.077 178.270 176.300 -0.179 0.000 1.072 69 R CA 0.469 56.413 56.100 -0.260 0.000 0.990 69 R CB -0.563 29.623 30.300 -0.190 0.000 0.889 69 R HN 0.274 nan 8.270 nan 0.000 0.452 70 L N 0.720 121.848 121.223 -0.158 0.000 2.027 70 L HA -0.054 4.286 4.340 -0.000 0.000 0.206 70 L C 2.016 178.833 176.870 -0.087 0.000 1.074 70 L CA 1.935 56.727 54.840 -0.079 0.000 0.745 70 L CB -0.772 41.270 42.059 -0.027 0.000 0.898 70 L HN 0.100 nan 8.230 nan 0.000 0.433 71 A N -0.034 122.696 122.820 -0.151 0.000 1.877 71 A HA -0.262 4.058 4.320 -0.000 0.000 0.216 71 A C 2.349 179.871 177.584 -0.102 0.000 1.186 71 A CA 1.805 53.786 52.037 -0.094 0.000 0.620 71 A CB -0.556 18.376 19.000 -0.113 0.000 0.822 71 A HN 0.448 nan 8.150 nan 0.000 0.443 72 K N -0.826 119.470 120.400 -0.172 0.000 2.362 72 K HA -0.069 4.251 4.320 -0.000 0.000 0.200 72 K C 1.601 178.143 176.600 -0.097 0.000 1.046 72 K CA 0.979 57.184 56.287 -0.136 0.000 0.952 72 K CB -0.163 32.222 32.500 -0.190 0.000 0.753 72 K HN 0.377 nan 8.250 nan 0.000 0.466 73 L N -0.230 120.941 121.223 -0.087 0.000 2.270 73 L HA 0.147 4.487 4.340 -0.000 0.000 0.210 73 L C 1.427 178.273 176.870 -0.041 0.000 1.104 73 L CA 1.272 56.079 54.840 -0.054 0.000 0.804 73 L CB 0.109 42.142 42.059 -0.042 0.000 0.937 73 L HN 0.067 nan 8.230 nan 0.000 0.450 74 A N -0.987 121.809 122.820 -0.041 0.000 2.500 74 A HA 0.182 4.502 4.320 -0.000 0.000 0.267 74 A C 0.868 178.414 177.584 -0.064 0.000 1.290 74 A CA 0.021 52.031 52.037 -0.044 0.000 0.928 74 A CB -0.725 18.256 19.000 -0.031 0.000 1.066 74 A HN 0.499 nan 8.150 nan 0.000 0.516 75 N N -0.417 118.257 118.700 -0.044 0.000 2.707 75 N HA -0.203 4.536 4.740 -0.000 0.000 0.253 75 N C 0.100 175.596 175.510 -0.023 0.000 0.998 75 N CA 0.655 53.687 53.050 -0.029 0.000 0.751 75 N CB -0.815 37.661 38.487 -0.018 0.000 0.920 75 N HN 0.722 nan 8.380 nan 0.000 0.539 76 A N 0.614 123.433 122.820 -0.002 0.000 2.306 76 A HA 0.718 5.038 4.320 -0.000 0.000 0.330 76 A C -2.356 175.285 177.584 0.095 0.000 1.146 76 A CA -1.253 50.817 52.037 0.055 0.000 0.827 76 A CB 0.941 19.992 19.000 0.084 0.000 1.178 76 A HN 0.157 nan 8.150 nan 0.000 0.490 77 P HA 0.388 nan 4.420 nan 0.000 0.276 77 P C -1.207 176.195 177.300 0.170 0.000 1.230 77 P CA 0.325 63.491 63.100 0.110 0.000 0.776 77 P CB 0.257 31.999 31.700 0.069 0.000 0.888 78 F N 4.792 124.738 119.950 -0.007 0.000 2.547 78 F HA 0.666 5.193 4.527 -0.000 0.000 0.316 78 F C -1.300 174.503 175.800 0.004 0.000 1.121 78 F CA -1.034 56.962 58.000 -0.007 0.000 0.911 78 F CB 1.143 40.132 39.000 -0.017 0.000 1.179 78 F HN 0.134 nan 8.300 nan 0.000 0.443 79 I N 5.838 126.030 120.570 -0.630 0.000 2.582 79 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 79 I C -1.741 174.014 176.117 -0.604 0.000 1.066 79 I CA -0.425 60.622 61.300 -0.423 0.000 1.053 79 I CB 1.779 39.669 38.000 -0.183 0.000 1.241 79 I HN 0.621 nan 8.210 nan 0.000 0.421 80 K N 7.670 127.896 120.400 -0.290 0.000 2.394 80 K HA 0.703 5.023 4.320 -0.000 0.000 0.260 80 K C -1.654 174.975 176.600 0.048 0.000 0.967 80 K CA -0.666 55.578 56.287 -0.071 0.000 0.855 80 K CB 1.336 33.854 32.500 0.030 0.000 1.101 80 K HN 0.537 nan 8.250 nan 0.000 0.433 81 V N 0.772 120.751 119.914 0.108 0.000 2.555 81 V HA 0.498 4.618 4.120 -0.000 0.000 0.302 81 V C -0.483 175.687 176.094 0.126 0.000 1.038 81 V CA -0.923 61.446 62.300 0.115 0.000 0.887 81 V CB 1.723 33.658 31.823 0.186 0.000 0.991 81 V HN 0.652 nan 8.190 nan 0.000 0.434 82 E N 2.986 123.221 120.200 0.060 0.000 2.105 82 E HA 0.406 4.756 4.350 -0.000 0.000 0.285 82 E C 1.204 177.825 176.600 0.034 0.000 1.055 82 E CA 0.265 56.687 56.400 0.036 0.000 0.843 82 E CB 1.631 31.323 29.700 -0.015 0.000 1.067 82 E HN 0.920 nan 8.360 nan 0.000 0.398 83 A N 3.669 126.543 122.820 0.091 0.000 1.927 83 A HA -0.255 4.065 4.320 -0.000 0.000 0.220 83 A C 2.098 179.761 177.584 0.131 0.000 1.185 83 A CA 2.534 54.672 52.037 0.168 0.000 0.639 83 A CB -0.921 18.125 19.000 0.078 0.000 0.820 83 A HN 0.652 nan 8.150 nan 0.000 0.451 84 T N -1.671 112.889 114.554 0.010 0.000 3.025 84 T HA -0.136 4.214 4.350 -0.000 0.000 0.270 84 T C 1.595 176.229 174.700 -0.109 0.000 1.126 84 T CA 1.505 63.586 62.100 -0.033 0.000 1.105 84 T CB -0.324 68.513 68.868 -0.052 0.000 0.884 84 T HN 0.651 nan 8.240 nan 0.000 0.522 85 K N 0.896 121.151 120.400 -0.242 0.000 2.103 85 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 85 K C 1.106 177.408 176.600 -0.496 0.000 1.048 85 K CA 1.421 57.427 56.287 -0.468 0.000 0.930 85 K CB -0.399 31.625 32.500 -0.795 0.000 0.716 85 K HN 0.477 nan 8.250 nan 0.000 0.444 86 F N 0.607 120.530 119.950 -0.045 0.000 2.811 86 F HA 0.073 4.600 4.527 -0.000 0.000 0.301 86 F C 1.856 177.611 175.800 -0.075 0.000 1.151 86 F CA 0.404 58.373 58.000 -0.052 0.000 1.412 86 F CB -0.187 38.786 39.000 -0.044 0.000 1.113 86 F HN -0.029 nan 8.300 nan 0.000 0.579 87 T N -0.738 113.825 114.554 0.015 0.000 2.915 87 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 87 T C 1.612 176.232 174.700 -0.133 0.000 1.071 87 T CA 1.253 63.324 62.100 -0.048 0.000 1.132 87 T CB -0.166 68.658 68.868 -0.073 0.000 0.878 87 T HN 0.394 nan 8.240 nan 0.000 0.479 88 E N 0.995 121.116 120.200 -0.132 0.000 2.478 88 E HA 0.022 4.372 4.350 -0.000 0.000 0.194 88 E C 2.269 178.795 176.600 -0.123 0.000 1.045 88 E CA 0.107 56.395 56.400 -0.187 0.000 0.868 88 E CB -0.017 29.611 29.700 -0.120 0.000 0.885 88 E HN 0.474 nan 8.360 nan 0.000 0.505 89 V N -1.693 118.197 119.914 -0.040 0.000 2.867 89 V HA -0.087 4.033 4.120 -0.000 0.000 0.260 89 V C 2.028 178.130 176.094 0.013 0.000 1.099 89 V CA 1.774 64.088 62.300 0.024 0.000 1.122 89 V CB -1.117 30.760 31.823 0.091 0.000 0.708 89 V HN 0.206 nan 8.190 nan 0.000 0.490 90 G N -0.725 108.033 108.800 -0.070 0.000 2.450 90 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.220 90 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.220 90 G C 1.390 176.414 174.900 0.205 0.000 1.130 90 G CA 1.340 46.422 45.100 -0.029 0.000 0.760 90 G HN 0.682 nan 8.290 nan 0.000 0.557 91 Y N -0.875 119.433 120.300 0.013 0.000 2.507 91 Y HA 0.363 4.913 4.550 -0.000 0.000 0.263 91 Y C 0.255 176.160 175.900 0.009 0.000 1.093 91 Y CA -0.011 58.094 58.100 0.008 0.000 1.285 91 Y CB 1.122 39.585 38.460 0.004 0.000 1.115 91 Y HN 0.123 nan 8.280 nan 0.000 0.533 92 V N -2.275 117.728 119.914 0.148 0.000 2.532 92 V HA 0.567 4.687 4.120 -0.000 0.000 0.261 92 V C -0.800 175.326 176.094 0.052 0.000 1.805 92 V CA -1.000 61.351 62.300 0.085 0.000 0.792 92 V CB 0.255 32.123 31.823 0.075 0.000 1.343 92 V HN 0.206 nan 8.190 nan 0.000 0.443 93 G N 1.438 110.267 108.800 0.049 0.000 2.489 93 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 93 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 93 G C -1.331 173.612 174.900 0.071 0.000 1.487 93 G CA -0.687 44.435 45.100 0.036 0.000 0.795 93 G HN 1.244 nan 8.290 nan 0.000 0.513 94 K N 0.773 121.204 120.400 0.052 0.000 2.511 94 K HA 0.250 4.570 4.320 -0.000 0.000 0.280 94 K C 0.524 177.288 176.600 0.274 0.000 1.008 94 K CA 0.261 56.616 56.287 0.113 0.000 1.050 94 K CB 0.206 32.730 32.500 0.039 0.000 0.889 94 K HN 0.487 nan 8.250 nan 0.000 0.484 95 E N 1.992 122.303 120.200 0.186 0.000 2.408 95 E HA -0.003 4.347 4.350 -0.000 0.000 0.259 95 E C 0.791 177.469 176.600 0.128 0.000 1.110 95 E CA -0.226 56.252 56.400 0.131 0.000 0.929 95 E CB 0.424 30.155 29.700 0.052 0.000 0.971 95 E HN 0.273 nan 8.360 nan 0.000 0.438 96 V N 1.684 121.510 119.914 -0.147 0.000 2.970 96 V HA -0.179 3.941 4.120 -0.000 0.000 0.260 96 V C 0.876 176.851 176.094 -0.198 0.000 1.100 96 V CA 1.486 63.484 62.300 -0.503 0.000 1.122 96 V CB -0.509 30.926 31.823 -0.647 0.000 0.721 96 V HN 0.591 nan 8.190 nan 0.000 0.483 97 D N 0.762 121.111 120.400 -0.084 0.000 2.218 97 D HA -0.144 4.495 4.640 -0.000 0.000 0.204 97 D C 2.384 178.684 176.300 0.000 0.000 0.976 97 D CA 1.577 55.554 54.000 -0.039 0.000 0.853 97 D CB -0.301 40.485 40.800 -0.023 0.000 0.939 97 D HN 0.623 nan 8.370 nan 0.000 0.481 98 S N 1.048 116.774 115.700 0.043 0.000 2.392 98 S HA -0.219 4.251 4.470 -0.000 0.000 0.232 98 S C 2.199 176.841 174.600 0.069 0.000 1.041 98 S CA 0.718 58.962 58.200 0.073 0.000 1.026 98 S CB -0.827 62.459 63.200 0.142 0.000 0.845 98 S HN 0.306 nan 8.310 nan 0.000 0.465 99 I N 1.259 121.881 120.570 0.087 0.000 2.151 99 I HA -0.167 4.003 4.170 -0.000 0.000 0.243 99 I C 2.147 178.281 176.117 0.028 0.000 1.080 99 I CA 1.330 62.678 61.300 0.079 0.000 1.339 99 I CB -0.439 37.608 38.000 0.078 0.000 1.039 99 I HN 0.318 nan 8.210 nan 0.000 0.409 100 I N 0.366 120.945 120.570 0.016 0.000 2.761 100 I HA -0.126 4.044 4.170 -0.000 0.000 0.261 100 I C 2.529 178.629 176.117 -0.029 0.000 1.198 100 I CA 1.179 62.477 61.300 -0.003 0.000 1.482 100 I CB -1.175 36.829 38.000 0.006 0.000 1.100 100 I HN 0.270 nan 8.210 nan 0.000 0.445 101 R N 0.719 121.200 120.500 -0.030 0.000 2.057 101 R HA -0.113 4.227 4.340 -0.000 0.000 0.229 101 R C 1.749 178.002 176.300 -0.079 0.000 1.136 101 R CA 1.284 57.343 56.100 -0.068 0.000 0.952 101 R CB -0.291 29.980 30.300 -0.049 0.000 0.848 101 R HN 0.282 nan 8.270 nan 0.000 0.430 102 D N 1.233 121.612 120.400 -0.035 0.000 2.178 102 D HA -0.145 4.495 4.640 -0.000 0.000 0.201 102 D C 1.886 178.170 176.300 -0.027 0.000 0.980 102 D CA 0.673 54.659 54.000 -0.023 0.000 0.842 102 D CB -0.154 40.648 40.800 0.003 0.000 0.948 102 D HN 0.128 nan 8.370 nan 0.000 0.472 103 L N 0.547 121.751 121.223 -0.032 0.000 2.083 103 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 103 L C 2.036 178.890 176.870 -0.026 0.000 1.083 103 L CA 1.228 56.046 54.840 -0.036 0.000 0.752 103 L CB -0.196 41.833 42.059 -0.051 0.000 0.899 103 L HN 0.029 nan 8.230 nan 0.000 0.433 104 T N -0.933 113.591 114.554 -0.050 0.000 2.812 104 T HA -0.134 4.216 4.350 -0.000 0.000 0.264 104 T C 1.316 175.989 174.700 -0.045 0.000 1.042 104 T CA 1.283 63.347 62.100 -0.060 0.000 1.140 104 T CB -0.181 68.605 68.868 -0.136 0.000 0.870 104 T HN 0.331 nan 8.240 nan 0.000 0.445 105 D N 1.319 121.669 120.400 -0.084 0.000 2.263 105 D HA 0.053 4.693 4.640 -0.000 0.000 0.208 105 D C 1.969 178.306 176.300 0.061 0.000 0.971 105 D CA 0.773 54.777 54.000 0.007 0.000 0.867 105 D CB -0.162 40.630 40.800 -0.015 0.000 0.929 105 D HN 0.427 nan 8.370 nan 0.000 0.492 106 A N 0.101 122.943 122.820 0.036 0.000 2.115 106 A HA 0.372 4.692 4.320 -0.000 0.000 0.211 106 A C 2.069 179.686 177.584 0.055 0.000 1.169 106 A CA 0.816 52.881 52.037 0.046 0.000 0.787 106 A CB 0.040 19.063 19.000 0.039 0.000 0.858 106 A HN 0.153 nan 8.150 nan 0.000 0.474 107 A N -0.685 122.167 122.820 0.053 0.000 2.167 107 A HA 0.292 4.612 4.320 -0.000 0.000 0.214 107 A C 1.866 179.497 177.584 0.078 0.000 1.151 107 A CA 1.285 53.359 52.037 0.062 0.000 0.735 107 A CB -0.259 18.772 19.000 0.051 0.000 0.802 107 A HN 0.265 nan 8.150 nan 0.000 0.467 108 V N -0.446 119.527 119.914 0.098 0.000 2.403 108 V HA -0.067 4.052 4.120 -0.000 0.000 0.239 108 V C 2.291 178.431 176.094 0.076 0.000 1.041 108 V CA 1.840 64.209 62.300 0.114 0.000 1.051 108 V CB -0.200 31.749 31.823 0.209 0.000 0.704 108 V HN 0.560 nan 8.190 nan 0.000 0.472 109 K N -0.008 120.436 120.400 0.074 0.000 2.442 109 K HA -0.195 4.125 4.320 -0.000 0.000 0.200 109 K C 1.835 178.460 176.600 0.042 0.000 1.045 109 K CA 1.761 58.079 56.287 0.052 0.000 0.937 109 K CB -0.228 32.301 32.500 0.049 0.000 0.757 109 K HN 0.480 nan 8.250 nan 0.000 0.474 110 M N -0.764 118.865 119.600 0.048 0.000 2.351 110 M HA -0.066 4.413 4.480 -0.000 0.000 0.250 110 M C 1.780 178.103 176.300 0.039 0.000 1.145 110 M CA 1.205 56.529 55.300 0.042 0.000 1.192 110 M CB 0.064 32.693 32.600 0.049 0.000 1.267 110 M HN 0.033 nan 8.290 nan 0.000 0.467 111 V N -0.821 119.121 119.914 0.047 0.000 2.688 111 V HA -0.223 3.897 4.120 -0.000 0.000 0.256 111 V C 2.160 178.274 176.094 0.033 0.000 1.084 111 V CA 2.247 64.573 62.300 0.044 0.000 1.103 111 V CB -1.422 30.433 31.823 0.053 0.000 0.688 111 V HN 0.608 nan 8.190 nan 0.000 0.480 112 R N -0.093 120.426 120.500 0.031 0.000 2.093 112 R HA 0.030 4.370 4.340 -0.000 0.000 0.224 112 R C 2.146 178.458 176.300 0.019 0.000 1.101 112 R CA 1.398 57.511 56.100 0.022 0.000 0.979 112 R CB -0.139 30.173 30.300 0.019 0.000 0.877 112 R HN 0.448 nan 8.270 nan 0.000 0.441 113 V N 1.296 121.223 119.914 0.021 0.000 2.323 113 V HA -0.176 3.944 4.120 -0.000 0.000 0.244 113 V C 1.862 177.966 176.094 0.017 0.000 1.041 113 V CA 1.643 63.953 62.300 0.017 0.000 1.025 113 V CB -0.326 31.507 31.823 0.017 0.000 0.656 113 V HN 0.417 nan 8.190 nan 0.000 0.451 114 Q N -0.490 119.321 119.800 0.019 0.000 2.515 114 Q HA 0.051 4.391 4.340 -0.000 0.000 0.212 114 Q C 1.981 177.991 176.000 0.017 0.000 0.970 114 Q CA 0.841 56.654 55.803 0.016 0.000 0.941 114 Q CB -0.094 28.654 28.738 0.018 0.000 0.998 114 Q HN 0.688 nan 8.270 nan 0.000 0.518 115 A N 0.508 123.339 122.820 0.018 0.000 1.956 115 A HA -0.008 4.312 4.320 -0.000 0.000 0.212 115 A C 1.768 179.363 177.584 0.019 0.000 1.188 115 A CA 0.229 52.276 52.037 0.018 0.000 0.675 115 A CB 0.140 19.150 19.000 0.016 0.000 0.845 115 A HN 0.222 nan 8.150 nan 0.000 0.455 116 I N 0.456 121.037 120.570 0.018 0.000 2.916 116 I HA -0.122 4.048 4.170 -0.000 0.000 0.267 116 I C 2.045 178.178 176.117 0.027 0.000 1.263 116 I CA 1.226 62.538 61.300 0.020 0.000 1.471 116 I CB -1.123 36.887 38.000 0.016 0.000 1.089 116 I HN 0.310 nan 8.210 nan 0.000 0.468 117 E N 1.671 121.886 120.200 0.025 0.000 2.008 117 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 117 E C 2.102 178.727 176.600 0.041 0.000 0.986 117 E CA 1.294 57.712 56.400 0.030 0.000 0.807 117 E CB -0.056 29.655 29.700 0.018 0.000 0.766 117 E HN 0.305 nan 8.360 nan 0.000 0.450 118 K N 0.182 120.599 120.400 0.028 0.000 2.283 118 K HA -0.008 4.312 4.320 -0.000 0.000 0.202 118 K C 0.153 176.784 176.600 0.053 0.000 1.048 118 K CA 0.772 57.076 56.287 0.029 0.000 0.948 118 K CB -0.155 32.351 32.500 0.011 0.000 0.742 118 K HN 0.133 nan 8.250 nan 0.000 0.458 119 N N 0.987 119.716 118.700 0.048 0.000 3.040 119 N HA 0.126 4.866 4.740 -0.000 0.000 0.305 119 N C 0.232 175.772 175.510 0.050 0.000 1.611 119 N CA -0.113 52.966 53.050 0.048 0.000 1.049 119 N CB 0.699 39.203 38.487 0.030 0.000 1.342 119 N HN 0.074 nan 8.380 nan 0.000 0.497 120 R N -0.445 120.102 120.500 0.079 0.000 2.532 120 R HA 0.094 4.434 4.340 -0.000 0.000 0.312 120 R C 0.086 176.435 176.300 0.082 0.000 0.923 120 R CA -0.094 56.045 56.100 0.064 0.000 1.115 120 R CB 0.282 30.621 30.300 0.065 0.000 1.703 120 R HN 0.235 nan 8.270 nan 0.000 0.498 121 Y N 0.373 120.672 120.300 -0.002 0.000 2.543 121 Y HA 0.278 4.828 4.550 -0.000 0.000 0.249 121 Y C 1.797 177.696 175.900 -0.001 0.000 1.081 121 Y CA 0.632 58.731 58.100 -0.001 0.000 1.336 121 Y CB 0.276 38.735 38.460 -0.002 0.000 1.208 121 Y HN -0.239 nan 8.280 nan 0.000 0.502 122 R N 0.709 121.361 120.500 0.253 0.000 2.249 122 R HA -0.132 4.208 4.340 -0.000 0.000 0.230 122 R C 1.933 178.266 176.300 0.056 0.000 1.121 122 R CA 0.902 57.082 56.100 0.134 0.000 0.997 122 R CB -0.668 29.699 30.300 0.112 0.000 0.867 122 R HN 0.447 nan 8.270 nan 0.000 0.465 123 A N 1.744 124.593 122.820 0.048 0.000 1.969 123 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 123 A C 1.509 179.088 177.584 -0.009 0.000 1.169 123 A CA 1.323 53.371 52.037 0.018 0.000 0.635 123 A CB -0.072 18.941 19.000 0.021 0.000 0.810 123 A HN 0.506 nan 8.150 nan 0.000 0.445 124 E N -1.047 119.131 120.200 -0.036 0.000 2.869 124 E HA 0.277 4.627 4.350 -0.000 0.000 0.207 124 E C 0.630 177.175 176.600 -0.092 0.000 0.986 124 E CA 0.240 56.601 56.400 -0.065 0.000 1.131 124 E CB 0.141 29.792 29.700 -0.082 0.000 1.098 124 E HN 0.622 nan 8.360 nan 0.000 0.459 125 E N 0.233 120.396 120.200 -0.061 0.000 2.453 125 E HA 0.068 4.418 4.350 -0.000 0.000 0.211 125 E C 1.025 177.615 176.600 -0.017 0.000 0.897 125 E CA 0.005 56.375 56.400 -0.051 0.000 1.063 125 E CB 0.480 30.174 29.700 -0.010 0.000 1.080 125 E HN 0.208 nan 8.360 nan 0.000 0.512 126 L N 0.347 121.565 121.223 -0.009 0.000 2.664 126 L HA 0.384 4.724 4.340 -0.000 0.000 0.233 126 L C 1.927 178.788 176.870 -0.015 0.000 1.113 126 L CA 0.782 55.618 54.840 -0.006 0.000 0.896 126 L CB -0.015 42.045 42.059 0.002 0.000 1.163 126 L HN 0.169 nan 8.230 nan 0.000 0.497 127 A N -0.391 122.417 122.820 -0.020 0.000 2.072 127 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 127 A C 2.092 179.660 177.584 -0.026 0.000 1.156 127 A CA 0.581 52.604 52.037 -0.023 0.000 0.701 127 A CB 0.027 19.012 19.000 -0.025 0.000 0.816 127 A HN 0.375 nan 8.150 nan 0.000 0.458 128 E N 0.136 120.319 120.200 -0.028 0.000 2.033 128 E HA -0.160 4.190 4.350 -0.000 0.000 0.189 128 E C 1.708 178.292 176.600 -0.027 0.000 0.979 128 E CA 1.017 57.402 56.400 -0.025 0.000 0.802 128 E CB -0.238 29.448 29.700 -0.024 0.000 0.763 128 E HN 0.682 nan 8.360 nan 0.000 0.449 129 E N 0.793 120.977 120.200 -0.027 0.000 2.197 129 E HA -0.302 4.048 4.350 -0.000 0.000 0.205 129 E C 2.072 178.646 176.600 -0.043 0.000 1.029 129 E CA 1.243 57.623 56.400 -0.034 0.000 0.828 129 E CB -0.131 29.553 29.700 -0.028 0.000 0.737 129 E HN 0.037 nan 8.360 nan 0.000 0.464 130 R N 0.508 120.987 120.500 -0.035 0.000 2.096 130 R HA -0.160 4.180 4.340 -0.000 0.000 0.229 130 R C 2.332 178.606 176.300 -0.043 0.000 1.134 130 R CA 1.486 57.564 56.100 -0.037 0.000 0.917 130 R CB -0.567 29.716 30.300 -0.027 0.000 0.832 130 R HN 0.165 nan 8.270 nan 0.000 0.430 131 I N 0.543 121.092 120.570 -0.035 0.000 2.335 131 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 131 I C 1.608 177.689 176.117 -0.060 0.000 1.129 131 I CA 1.504 62.784 61.300 -0.033 0.000 1.402 131 I CB -0.102 37.891 38.000 -0.011 0.000 1.069 131 I HN 0.260 nan 8.210 nan 0.000 0.424 132 L N -0.175 121.005 121.223 -0.073 0.000 2.072 132 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 132 L C 1.698 178.457 176.870 -0.186 0.000 1.079 132 L CA 1.173 55.930 54.840 -0.138 0.000 0.752 132 L CB -0.843 41.157 42.059 -0.099 0.000 0.906 132 L HN 0.165 nan 8.230 nan 0.000 0.436 133 D N -0.710 119.615 120.400 -0.125 0.000 2.403 133 D HA -0.120 4.520 4.640 -0.000 0.000 0.227 133 D C 1.551 177.780 176.300 -0.118 0.000 0.995 133 D CA 0.719 54.648 54.000 -0.118 0.000 0.928 133 D CB 0.256 41.006 40.800 -0.083 0.000 0.887 133 D HN 0.121 nan 8.370 nan 0.000 0.529 134 V N -0.269 119.571 119.914 -0.123 0.000 3.477 134 V HA 0.179 4.299 4.120 -0.000 0.000 0.297 134 V C 1.016 177.034 176.094 -0.126 0.000 1.433 134 V CA 0.121 62.362 62.300 -0.099 0.000 1.052 134 V CB 0.155 31.942 31.823 -0.061 0.000 0.895 134 V HN 0.087 nan 8.190 nan 0.000 0.438 135 L N 0.015 121.096 121.223 -0.237 0.000 2.781 135 L HA 0.471 4.811 4.340 -0.000 0.000 0.245 135 L C 0.102 176.602 176.870 -0.617 0.000 1.118 135 L CA 0.204 54.819 54.840 -0.375 0.000 0.918 135 L CB 1.101 42.871 42.059 -0.482 0.000 1.246 135 L HN 0.130 nan 8.230 nan 0.000 0.526 136 I N 0.647 120.948 120.570 -0.447 0.000 2.850 136 I HA 0.200 4.370 4.170 -0.000 0.000 0.282 136 I C -2.530 173.469 176.117 -0.197 0.000 1.629 136 I CA -1.320 59.775 61.300 -0.341 0.000 0.792 136 I CB 0.900 38.649 38.000 -0.418 0.000 1.776 136 I HN -0.208 nan 8.210 nan 0.000 0.578 137 P HA 0.074 nan 4.420 nan 0.000 0.255 137 P C -2.145 175.093 177.300 -0.102 0.000 1.173 137 P CA -0.249 62.786 63.100 -0.107 0.000 0.780 137 P CB -0.171 31.481 31.700 -0.081 0.000 0.758 138 P HA -0.018 nan 4.420 nan 0.000 0.266 138 P C -0.009 177.211 177.300 -0.133 0.000 1.186 138 P CA 0.259 63.290 63.100 -0.115 0.000 0.767 138 P CB 0.426 32.058 31.700 -0.112 0.000 0.820 139 A N 2.629 125.343 122.820 -0.176 0.000 2.492 139 A HA 0.079 4.399 4.320 -0.000 0.000 0.236 139 A C 0.025 177.450 177.584 -0.266 0.000 1.078 139 A CA 0.082 51.976 52.037 -0.238 0.000 0.773 139 A CB -0.139 18.620 19.000 -0.402 0.000 1.023 139 A HN 0.416 nan 8.150 nan 0.000 0.504 140 K N 2.839 123.098 120.400 -0.235 0.000 2.237 140 K HA 0.213 4.533 4.320 -0.000 0.000 0.283 140 K C -0.559 175.871 176.600 -0.284 0.000 1.080 140 K CA 0.340 56.512 56.287 -0.192 0.000 0.965 140 K CB -0.421 32.013 32.500 -0.110 0.000 1.098 140 K HN 0.611 nan 8.250 nan 0.000 0.434 141 N N 2.748 121.277 118.700 -0.285 0.000 2.468 141 N HA -0.143 4.597 4.740 -0.000 0.000 0.274 141 N C -1.060 174.109 175.510 -0.567 0.000 1.380 141 N CA 0.045 52.904 53.050 -0.319 0.000 0.782 141 N CB -0.615 37.725 38.487 -0.244 0.000 0.898 141 N HN 0.854 nan 8.380 nan 0.000 0.496 142 N N 1.190 119.650 118.700 -0.400 0.000 2.454 142 N HA -0.000 4.740 4.740 -0.000 0.000 0.254 142 N C -0.283 175.023 175.510 -0.341 0.000 1.228 142 N CA 0.350 53.159 53.050 -0.401 0.000 0.900 142 N CB 0.660 39.038 38.487 -0.181 0.000 1.089 142 N HN 0.400 nan 8.380 nan 0.000 0.449 143 W N 0.875 122.172 121.300 -0.004 0.000 2.422 143 W HA 0.271 4.931 4.660 -0.000 0.000 0.349 143 W C 0.820 177.338 176.519 -0.002 0.000 1.062 143 W CA -1.037 56.307 57.345 -0.002 0.000 1.497 143 W CB -0.048 29.411 29.460 -0.002 0.000 1.407 143 W HN 0.682 nan 8.180 nan 0.000 0.393 144 G N 3.882 112.780 108.800 0.163 0.000 2.415 144 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.295 144 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.295 144 G C 0.689 175.649 174.900 0.099 0.000 0.616 144 G CA 0.346 45.507 45.100 0.100 0.000 1.931 144 G HN 0.436 nan 8.290 nan 0.000 0.448 145 Q N 0.482 120.341 119.800 0.098 0.000 2.093 145 Q HA 0.031 4.371 4.340 -0.000 0.000 0.217 145 Q C 1.578 177.612 176.000 0.056 0.000 0.785 145 Q CA 0.684 56.533 55.803 0.077 0.000 1.038 145 Q CB 0.118 28.911 28.738 0.092 0.000 1.190 145 Q HN 1.038 nan 8.270 nan 0.000 0.468 146 T N -1.361 113.223 114.554 0.049 0.000 3.650 146 T HA -0.305 4.044 4.350 -0.000 0.000 0.354 146 T C 0.607 175.328 174.700 0.035 0.000 0.761 146 T CA 2.205 64.326 62.100 0.035 0.000 1.817 146 T CB -0.998 67.886 68.868 0.027 0.000 1.871 146 T HN 0.589 nan 8.240 nan 0.000 0.723 147 E N -1.983 118.244 120.200 0.046 0.000 2.560 147 E HA 0.056 4.406 4.350 -0.000 0.000 0.190 147 E C 1.540 178.175 176.600 0.059 0.000 0.956 147 E CA -0.285 56.141 56.400 0.044 0.000 1.515 147 E CB -0.164 29.558 29.700 0.037 0.000 1.930 147 E HN 0.295 nan 8.360 nan 0.000 0.939 148 Q N 0.568 120.418 119.800 0.082 0.000 2.369 148 Q HA -0.090 4.250 4.340 -0.000 0.000 0.206 148 Q C 1.581 177.643 176.000 0.105 0.000 0.963 148 Q CA 1.198 57.077 55.803 0.126 0.000 0.894 148 Q CB 0.369 29.231 28.738 0.206 0.000 0.965 148 Q HN 0.298 nan 8.270 nan 0.000 0.475 149 Q N 0.437 120.275 119.800 0.064 0.000 2.089 149 Q HA -0.150 4.190 4.340 -0.000 0.000 0.195 149 Q C 1.302 177.320 176.000 0.031 0.000 0.963 149 Q CA 1.288 57.110 55.803 0.031 0.000 0.834 149 Q CB 0.177 28.923 28.738 0.013 0.000 0.906 149 Q HN 0.302 nan 8.270 nan 0.000 0.452 150 Q N -0.111 119.710 119.800 0.035 0.000 2.452 150 Q HA -0.021 4.319 4.340 -0.000 0.000 0.214 150 Q C 0.793 176.818 176.000 0.041 0.000 0.966 150 Q CA 0.457 56.279 55.803 0.033 0.000 0.964 150 Q CB 0.196 28.952 28.738 0.030 0.000 0.992 150 Q HN 0.223 nan 8.270 nan 0.000 0.517 151 E N 1.093 121.323 120.200 0.050 0.000 2.017 151 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 151 E C -0.603 176.029 176.600 0.054 0.000 0.997 151 E CA 1.239 57.673 56.400 0.057 0.000 0.804 151 E CB -1.324 28.424 29.700 0.080 0.000 0.757 151 E HN 0.379 nan 8.360 nan 0.000 0.448 152 P HA -0.018 nan 4.420 nan 0.000 0.218 152 P C 0.553 177.890 177.300 0.063 0.000 1.149 152 P CA 0.980 64.117 63.100 0.063 0.000 0.817 152 P CB -0.105 31.628 31.700 0.056 0.000 0.785 153 S N -1.073 114.657 115.700 0.049 0.000 2.865 153 S HA -0.106 4.364 4.470 -0.000 0.000 0.268 153 S C 1.167 175.798 174.600 0.051 0.000 0.997 153 S CA 0.903 59.131 58.200 0.047 0.000 1.056 153 S CB -1.129 62.093 63.200 0.037 0.000 0.799 153 S HN 0.260 nan 8.310 nan 0.000 0.536 154 A N 0.717 123.575 122.820 0.064 0.000 1.761 154 A HA 0.761 5.081 4.320 -0.000 0.000 0.168 154 A C 1.844 179.482 177.584 0.089 0.000 1.884 154 A CA 0.430 52.504 52.037 0.061 0.000 1.217 154 A CB -1.037 17.996 19.000 0.054 0.000 0.934 154 A HN 0.489 nan 8.150 nan 0.000 0.682 155 A N 0.263 123.151 122.820 0.114 0.000 1.845 155 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 155 A C 2.115 179.881 177.584 0.304 0.000 1.195 155 A CA 2.497 54.653 52.037 0.198 0.000 0.616 155 A CB -0.676 18.438 19.000 0.189 0.000 0.832 155 A HN 0.487 nan 8.150 nan 0.000 0.443 156 R N -0.201 120.412 120.500 0.188 0.000 2.143 156 R HA -0.232 4.108 4.340 -0.000 0.000 0.239 156 R C 2.381 178.800 176.300 0.198 0.000 1.126 156 R CA 2.564 58.754 56.100 0.151 0.000 0.927 156 R CB -0.856 29.478 30.300 0.056 0.000 0.860 156 R HN 0.704 nan 8.270 nan 0.000 0.433 157 Q N -0.999 118.876 119.800 0.124 0.000 2.197 157 Q HA -0.192 4.148 4.340 -0.000 0.000 0.207 157 Q C 2.047 178.103 176.000 0.093 0.000 0.984 157 Q CA 1.706 57.564 55.803 0.092 0.000 0.869 157 Q CB -0.243 28.530 28.738 0.057 0.000 0.906 157 Q HN 0.536 nan 8.270 nan 0.000 0.426 158 A N 0.257 123.136 122.820 0.098 0.000 1.908 158 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 158 A C 1.692 179.237 177.584 -0.065 0.000 1.181 158 A CA 1.358 53.387 52.037 -0.014 0.000 0.627 158 A CB -0.695 18.251 19.000 -0.090 0.000 0.818 158 A HN 0.319 nan 8.150 nan 0.000 0.445 159 F N -0.717 119.230 119.950 -0.004 0.000 2.163 159 F HA 0.008 4.535 4.527 -0.000 0.000 0.297 159 F C 2.522 178.316 175.800 -0.010 0.000 1.094 159 F CA 1.397 59.393 58.000 -0.007 0.000 1.290 159 F CB -0.418 38.578 39.000 -0.008 0.000 1.017 159 F HN 0.057 nan 8.300 nan 0.000 0.483 160 R N 0.418 121.032 120.500 0.190 0.000 2.091 160 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 160 R C 2.277 178.606 176.300 0.048 0.000 1.136 160 R CA 1.768 57.924 56.100 0.093 0.000 0.959 160 R CB -0.295 30.045 30.300 0.066 0.000 0.856 160 R HN 0.210 nan 8.270 nan 0.000 0.437 161 K N 0.926 121.347 120.400 0.034 0.000 2.062 161 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 161 K C 1.411 178.005 176.600 -0.009 0.000 1.051 161 K CA 1.353 57.643 56.287 0.006 0.000 0.941 161 K CB 0.159 32.658 32.500 -0.002 0.000 0.719 161 K HN -0.013 nan 8.250 nan 0.000 0.440 162 K N 0.407 120.792 120.400 -0.026 0.000 2.555 162 K HA -0.053 4.267 4.320 -0.000 0.000 0.193 162 K C 0.838 177.429 176.600 -0.014 0.000 1.032 162 K CA 0.193 56.451 56.287 -0.048 0.000 1.004 162 K CB 0.177 32.603 32.500 -0.123 0.000 0.804 162 K HN 0.095 nan 8.250 nan 0.000 0.496 163 L N 0.352 121.584 121.223 0.014 0.000 2.965 163 L HA 0.159 4.499 4.340 -0.000 0.000 0.254 163 L C 0.801 177.674 176.870 0.006 0.000 1.220 163 L CA 0.304 55.158 54.840 0.024 0.000 1.023 163 L CB 0.192 42.283 42.059 0.053 0.000 1.355 163 L HN -0.142 nan 8.230 nan 0.000 0.545 164 R N 0.304 120.802 120.500 -0.003 0.000 2.317 164 R HA 0.158 4.498 4.340 -0.000 0.000 0.208 164 R C 0.530 176.823 176.300 -0.011 0.000 0.914 164 R CA 0.806 56.900 56.100 -0.009 0.000 1.060 164 R CB 0.377 30.672 30.300 -0.009 0.000 1.015 164 R HN 0.654 nan 8.270 nan 0.000 0.498 165 E N -2.367 117.827 120.200 -0.010 0.000 1.790 165 E HA -0.050 4.300 4.350 -0.000 0.000 0.239 165 E C 0.630 177.225 176.600 -0.009 0.000 1.072 165 E CA 0.329 56.723 56.400 -0.010 0.000 1.530 165 E CB -0.751 28.942 29.700 -0.012 0.000 4.031 165 E HN 0.041 nan 8.360 nan 0.000 0.911 166 G N 2.736 111.530 108.800 -0.011 0.000 2.494 166 G HA2 0.386 4.346 3.960 -0.000 0.000 0.297 166 G HA3 0.386 4.346 3.960 -0.000 0.000 0.297 166 G C -0.027 174.872 174.900 -0.002 0.000 0.971 166 G CA 0.730 45.824 45.100 -0.011 0.000 1.378 166 G HN 0.295 nan 8.290 nan 0.000 0.456 167 Q N 1.614 121.414 119.800 0.001 0.000 2.922 167 Q HA 0.627 4.967 4.340 -0.000 0.000 0.392 167 Q C 0.678 176.681 176.000 0.005 0.000 0.689 167 Q CA -1.123 54.685 55.803 0.008 0.000 0.905 167 Q CB 0.689 29.431 28.738 0.008 0.000 1.222 167 Q HN 0.530 nan 8.270 nan 0.000 0.432 168 L N 0.614 121.840 121.223 0.006 0.000 3.898 168 L HA -0.193 4.147 4.340 -0.000 0.000 0.407 168 L C -1.630 175.243 176.870 0.006 0.000 1.207 168 L CA 0.890 55.732 54.840 0.003 0.000 0.931 168 L CB -1.259 40.800 42.059 0.000 0.000 2.014 168 L HN 0.776 nan 8.230 nan 0.000 0.858 169 D N -0.372 120.035 120.400 0.011 0.000 2.464 169 D HA 0.377 5.017 4.640 -0.000 0.000 0.243 169 D C -0.023 176.286 176.300 0.015 0.000 1.104 169 D CA -0.469 53.540 54.000 0.014 0.000 0.883 169 D CB 0.785 41.598 40.800 0.022 0.000 1.050 169 D HN 0.243 nan 8.370 nan 0.000 0.524 170 D N 1.844 122.250 120.400 0.010 0.000 2.949 170 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 170 D C 0.178 176.484 176.300 0.010 0.000 1.104 170 D CA 0.589 54.594 54.000 0.008 0.000 0.801 170 D CB 1.224 42.027 40.800 0.006 0.000 1.182 170 D HN 0.196 nan 8.370 nan 0.000 0.517 171 K N 0.684 121.087 120.400 0.006 0.000 1.740 171 K HA 0.509 4.829 4.320 -0.000 0.000 0.273 171 K C -0.862 175.737 176.600 -0.002 0.000 0.796 171 K CA -0.609 55.680 56.287 0.003 0.000 0.535 171 K CB 1.043 33.544 32.500 0.003 0.000 2.513 171 K HN 0.761 nan 8.250 nan 0.000 0.873 172 E N 0.938 121.134 120.200 -0.007 0.000 2.748 172 E HA 0.308 4.658 4.350 -0.000 0.000 0.320 172 E C -1.386 175.205 176.600 -0.016 0.000 0.996 172 E CA -0.456 55.938 56.400 -0.010 0.000 0.835 172 E CB 0.708 30.402 29.700 -0.010 0.000 1.265 172 E HN 0.443 nan 8.360 nan 0.000 0.420 173 I N -0.407 120.154 120.570 -0.016 0.000 3.298 173 I HA 0.636 4.806 4.170 -0.000 0.000 0.315 173 I C -0.928 175.179 176.117 -0.017 0.000 1.293 173 I CA -0.979 60.309 61.300 -0.019 0.000 0.926 173 I CB 1.098 39.086 38.000 -0.021 0.000 1.321 173 I HN 0.571 nan 8.210 nan 0.000 0.487 211 Q N 0.898 120.693 119.800 -0.009 0.000 2.606 211 Q HA 0.277 4.617 4.340 -0.000 0.000 0.215 211 Q C 0.843 176.837 176.000 -0.010 0.000 0.908 211 Q CA 0.404 56.201 55.803 -0.010 0.000 0.908 211 Q CB 1.222 29.952 28.738 -0.012 0.000 1.120 211 Q HN 0.530 nan 8.270 nan 0.000 0.628 212 K N -1.352 119.042 120.400 -0.010 0.000 2.811 212 K HA 0.092 4.412 4.320 -0.000 0.000 0.263 212 K C 0.475 177.070 176.600 -0.009 0.000 2.884 212 K CA 1.154 57.435 56.287 -0.010 0.000 1.529 212 K CB -1.031 31.463 32.500 -0.011 0.000 3.111 212 K HN 0.242 nan 8.250 nan 0.000 0.335 213 A N 1.314 124.127 122.820 -0.011 0.000 3.976 213 A HA -0.318 4.002 4.320 -0.000 0.000 0.246 213 A C 0.575 178.154 177.584 -0.010 0.000 0.591 213 A CA 2.198 54.229 52.037 -0.011 0.000 1.143 213 A CB -1.979 17.015 19.000 -0.010 0.000 1.238 213 A HN 0.601 nan 8.150 nan 0.000 0.666 214 R N 1.025 121.520 120.500 -0.008 0.000 2.924 214 R HA 0.178 4.518 4.340 -0.000 0.000 0.272 214 R C 0.451 176.747 176.300 -0.007 0.000 1.012 214 R CA 0.840 56.936 56.100 -0.007 0.000 1.171 214 R CB 0.099 30.396 30.300 -0.006 0.000 1.086 214 R HN 0.654 nan 8.270 nan 0.000 0.489 215 K N 4.371 124.767 120.400 -0.005 0.000 2.526 215 K HA 0.239 4.559 4.320 -0.000 0.000 0.214 215 K C -0.424 176.174 176.600 -0.003 0.000 1.088 215 K CA -0.487 55.797 56.287 -0.005 0.000 1.058 215 K CB -0.077 32.421 32.500 -0.004 0.000 1.653 215 K HN 0.421 nan 8.250 nan 0.000 0.521 216 L N -0.963 120.258 121.223 -0.004 0.000 2.325 216 L HA 0.513 4.853 4.340 -0.000 0.000 0.279 216 L C -0.132 176.737 176.870 -0.002 0.000 1.054 216 L CA -1.346 53.493 54.840 -0.003 0.000 0.804 216 L CB 0.737 42.794 42.059 -0.004 0.000 1.200 216 L HN -0.002 nan 8.230 nan 0.000 0.436 217 K N 2.156 122.556 120.400 -0.000 0.000 2.584 217 K HA -0.066 4.254 4.320 -0.000 0.000 0.277 217 K C 1.008 177.609 176.600 0.002 0.000 0.960 217 K CA 0.403 56.691 56.287 0.002 0.000 0.975 217 K CB 0.755 33.256 32.500 0.001 0.000 0.885 217 K HN 0.755 nan 8.250 nan 0.000 0.515 218 I N 1.530 122.104 120.570 0.005 0.000 2.202 218 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 218 I C 2.365 178.484 176.117 0.003 0.000 1.091 218 I CA 1.413 62.717 61.300 0.007 0.000 1.368 218 I CB -0.211 37.799 38.000 0.016 0.000 1.058 218 I HN 0.643 nan 8.210 nan 0.000 0.410 219 K N 0.841 121.242 120.400 0.002 0.000 2.077 219 K HA -0.271 4.049 4.320 -0.000 0.000 0.213 219 K C 1.345 177.943 176.600 -0.003 0.000 1.051 219 K CA 2.384 58.670 56.287 -0.001 0.000 0.929 219 K CB -0.617 31.882 32.500 -0.001 0.000 0.715 219 K HN 0.250 nan 8.250 nan 0.000 0.451 220 D N 1.204 121.602 120.400 -0.003 0.000 2.110 220 D HA -0.014 4.626 4.640 -0.000 0.000 0.202 220 D C 2.147 178.444 176.300 -0.005 0.000 0.975 220 D CA 1.580 55.577 54.000 -0.004 0.000 0.839 220 D CB -0.447 40.350 40.800 -0.003 0.000 0.996 220 D HN 0.358 nan 8.370 nan 0.000 0.464 221 A N 0.952 123.769 122.820 -0.005 0.000 1.896 221 A HA -0.312 4.008 4.320 -0.000 0.000 0.220 221 A C 2.149 179.728 177.584 -0.008 0.000 1.206 221 A CA 2.508 54.541 52.037 -0.007 0.000 0.647 221 A CB -0.853 18.142 19.000 -0.007 0.000 0.828 221 A HN 0.194 nan 8.150 nan 0.000 0.455 222 M N -0.137 119.459 119.600 -0.008 0.000 2.088 222 M HA -0.224 4.256 4.480 -0.000 0.000 0.256 222 M C 1.857 178.150 176.300 -0.012 0.000 1.071 222 M CA 2.307 57.601 55.300 -0.010 0.000 1.097 222 M CB -0.520 32.075 32.600 -0.009 0.000 1.315 222 M HN 0.465 nan 8.290 nan 0.000 0.406 223 K N -0.646 119.748 120.400 -0.010 0.000 1.985 223 K HA -0.115 4.205 4.320 -0.000 0.000 0.210 223 K C 1.882 178.477 176.600 -0.009 0.000 1.047 223 K CA 1.416 57.697 56.287 -0.009 0.000 0.932 223 K CB -0.613 31.883 32.500 -0.007 0.000 0.716 223 K HN 0.257 nan 8.250 nan 0.000 0.439 224 L N 1.113 122.332 121.223 -0.008 0.000 2.089 224 L HA -0.217 4.123 4.340 -0.000 0.000 0.213 224 L C 2.331 179.195 176.870 -0.009 0.000 1.079 224 L CA 1.455 56.291 54.840 -0.008 0.000 0.758 224 L CB -1.011 41.044 42.059 -0.007 0.000 0.891 224 L HN 0.301 nan 8.230 nan 0.000 0.433 225 L N -0.426 120.791 121.223 -0.010 0.000 2.083 225 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 225 L C 2.631 179.495 176.870 -0.012 0.000 1.083 225 L CA 1.359 56.191 54.840 -0.012 0.000 0.752 225 L CB -0.774 41.276 42.059 -0.015 0.000 0.899 225 L HN 0.183 nan 8.230 nan 0.000 0.433 226 I N -0.072 120.490 120.570 -0.012 0.000 2.151 226 I HA -0.329 3.841 4.170 -0.000 0.000 0.243 226 I C 2.432 178.545 176.117 -0.006 0.000 1.080 226 I CA 1.306 62.600 61.300 -0.011 0.000 1.339 226 I CB -1.174 36.819 38.000 -0.011 0.000 1.039 226 I HN 0.423 nan 8.210 nan 0.000 0.409 227 E N 1.604 121.801 120.200 -0.006 0.000 1.992 227 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 227 E C 2.013 178.611 176.600 -0.004 0.000 1.007 227 E CA 1.756 58.153 56.400 -0.004 0.000 0.857 227 E CB -0.137 29.560 29.700 -0.004 0.000 0.796 227 E HN 0.488 nan 8.360 nan 0.000 0.486 228 E N 0.127 120.324 120.200 -0.005 0.000 2.149 228 E HA -0.313 4.037 4.350 -0.000 0.000 0.215 228 E C 2.165 178.763 176.600 -0.004 0.000 1.055 228 E CA 1.804 58.200 56.400 -0.005 0.000 0.870 228 E CB -0.233 29.462 29.700 -0.007 0.000 0.764 228 E HN 0.249 nan 8.360 nan 0.000 0.463 229 E N 0.262 120.460 120.200 -0.005 0.000 2.208 229 E HA -0.064 4.286 4.350 -0.000 0.000 0.193 229 E C 1.761 178.362 176.600 0.002 0.000 0.988 229 E CA 1.114 57.512 56.400 -0.003 0.000 0.828 229 E CB -0.157 29.540 29.700 -0.005 0.000 0.763 229 E HN 0.308 nan 8.360 nan 0.000 0.478 230 A N 0.591 123.413 122.820 0.002 0.000 1.872 230 A HA 0.061 4.381 4.320 -0.000 0.000 0.214 230 A C 2.409 179.996 177.584 0.006 0.000 1.187 230 A CA 1.745 53.786 52.037 0.007 0.000 0.614 230 A CB -0.962 18.042 19.000 0.007 0.000 0.826 230 A HN 0.323 nan 8.150 nan 0.000 0.442 231 A N -0.083 122.738 122.820 0.002 0.000 1.865 231 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 231 A C 2.105 179.690 177.584 0.001 0.000 1.191 231 A CA 2.043 54.080 52.037 0.001 0.000 0.623 231 A CB -0.555 18.444 19.000 -0.002 0.000 0.826 231 A HN 0.488 nan 8.150 nan 0.000 0.444 232 K N -0.986 119.414 120.400 -0.000 0.000 2.519 232 K HA -0.073 4.247 4.320 -0.000 0.000 0.196 232 K C 1.249 177.850 176.600 0.002 0.000 1.041 232 K CA 0.888 57.175 56.287 -0.000 0.000 0.954 232 K CB -0.162 32.336 32.500 -0.002 0.000 0.774 232 K HN 0.374 nan 8.250 nan 0.000 0.480 233 L N 0.342 121.568 121.223 0.005 0.000 2.607 233 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 233 L C -0.554 176.321 176.870 0.009 0.000 1.123 233 L CA 0.317 55.162 54.840 0.008 0.000 0.890 233 L CB 0.958 43.025 42.059 0.013 0.000 1.103 233 L HN -0.247 nan 8.230 nan 0.000 0.468 234 V N 1.705 121.623 119.914 0.006 0.000 2.370 234 V HA 0.314 4.434 4.120 -0.000 0.000 0.283 234 V C 0.003 176.099 176.094 0.003 0.000 1.023 234 V CA -0.786 61.517 62.300 0.006 0.000 0.857 234 V CB 1.292 33.118 31.823 0.005 0.000 0.985 234 V HN 0.242 nan 8.190 nan 0.000 0.443 235 N N 8.696 127.399 118.700 0.005 0.000 2.421 235 N HA 0.135 4.875 4.740 -0.000 0.000 0.260 235 N C -0.998 174.513 175.510 0.002 0.000 1.173 235 N CA -1.632 51.420 53.050 0.004 0.000 0.960 235 N CB 1.396 39.887 38.487 0.006 0.000 1.273 235 N HN 0.362 nan 8.380 nan 0.000 0.497 236 P HA -0.181 nan 4.420 nan 0.000 0.216 236 P C 0.925 178.221 177.300 -0.007 0.000 1.153 236 P CA 1.119 64.215 63.100 -0.007 0.000 0.858 236 P CB 0.592 32.285 31.700 -0.011 0.000 0.789 237 E N 0.683 120.882 120.200 -0.003 0.000 2.031 237 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 237 E C 1.984 178.588 176.600 0.007 0.000 0.994 237 E CA 1.482 57.882 56.400 0.000 0.000 0.800 237 E CB -0.787 28.915 29.700 0.003 0.000 0.752 237 E HN 0.036 nan 8.360 nan 0.000 0.447 238 E N 0.044 120.250 120.200 0.010 0.000 2.265 238 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 238 E C 1.792 178.404 176.600 0.020 0.000 0.996 238 E CA 0.452 56.862 56.400 0.016 0.000 0.832 238 E CB -0.373 29.337 29.700 0.016 0.000 0.756 238 E HN 0.268 nan 8.360 nan 0.000 0.491 239 L N 1.487 122.719 121.223 0.014 0.000 1.921 239 L HA -0.213 4.127 4.340 -0.000 0.000 0.219 239 L C 2.168 179.051 176.870 0.022 0.000 1.081 239 L CA 2.039 56.888 54.840 0.016 0.000 0.771 239 L CB -0.593 41.469 42.059 0.004 0.000 0.888 239 L HN 0.001 nan 8.230 nan 0.000 0.433 240 K N -0.364 120.041 120.400 0.008 0.000 2.281 240 K HA -0.257 4.063 4.320 -0.000 0.000 0.203 240 K C 1.930 178.556 176.600 0.045 0.000 1.046 240 K CA 1.832 58.129 56.287 0.016 0.000 0.938 240 K CB -0.455 32.025 32.500 -0.032 0.000 0.737 240 K HN 0.666 nan 8.250 nan 0.000 0.458 241 Q N 0.449 120.269 119.800 0.035 0.000 2.311 241 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 241 Q C 0.686 176.713 176.000 0.045 0.000 0.954 241 Q CA 1.068 56.894 55.803 0.039 0.000 0.885 241 Q CB 0.177 28.932 28.738 0.029 0.000 0.963 241 Q HN 0.318 nan 8.270 nan 0.000 0.471 242 D N 0.298 120.727 120.400 0.049 0.000 2.162 242 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 242 D C 1.683 178.024 176.300 0.068 0.000 0.967 242 D CA 1.168 55.204 54.000 0.059 0.000 0.840 242 D CB -0.070 40.766 40.800 0.060 0.000 0.972 242 D HN 0.312 nan 8.370 nan 0.000 0.482 243 A N 0.724 123.587 122.820 0.071 0.000 1.908 243 A HA -0.189 4.130 4.320 -0.000 0.000 0.218 243 A C 2.174 179.796 177.584 0.064 0.000 1.181 243 A CA 1.074 53.158 52.037 0.079 0.000 0.627 243 A CB -0.639 18.425 19.000 0.108 0.000 0.818 243 A HN 0.134 nan 8.150 nan 0.000 0.445 244 I N 0.804 121.409 120.570 0.059 0.000 2.226 244 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 244 I C 1.779 177.908 176.117 0.019 0.000 1.100 244 I CA 1.736 63.058 61.300 0.037 0.000 1.374 244 I CB -0.496 37.528 38.000 0.039 0.000 1.057 244 I HN 0.301 nan 8.210 nan 0.000 0.413 245 D N 0.587 121.002 120.400 0.026 0.000 2.123 245 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 245 D C 2.269 178.559 176.300 -0.016 0.000 0.992 245 D CA 1.637 55.642 54.000 0.009 0.000 0.833 245 D CB -0.477 40.349 40.800 0.043 0.000 0.954 245 D HN 0.389 nan 8.370 nan 0.000 0.455 246 A N 0.873 123.722 122.820 0.048 0.000 1.841 246 A HA -0.129 4.191 4.320 -0.000 0.000 0.214 246 A C 2.601 180.192 177.584 0.011 0.000 1.195 246 A CA 1.420 53.518 52.037 0.101 0.000 0.611 246 A CB -0.950 18.131 19.000 0.134 0.000 0.835 246 A HN 0.124 nan 8.150 nan 0.000 0.443 247 V N 0.599 120.519 119.914 0.009 0.000 2.282 247 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 247 V C 2.495 178.558 176.094 -0.051 0.000 1.057 247 V CA 2.456 64.746 62.300 -0.017 0.000 1.032 247 V CB -0.901 30.916 31.823 -0.011 0.000 0.645 247 V HN 0.626 nan 8.190 nan 0.000 0.447 248 E N -0.787 119.380 120.200 -0.054 0.000 2.150 248 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 248 E C 2.295 178.829 176.600 -0.111 0.000 0.985 248 E CA 0.967 57.337 56.400 -0.050 0.000 0.814 248 E CB -0.081 29.601 29.700 -0.031 0.000 0.752 248 E HN 0.583 nan 8.360 nan 0.000 0.466 249 Q N -0.564 119.071 119.800 -0.275 0.000 2.259 249 Q HA 0.011 4.351 4.340 -0.000 0.000 0.201 249 Q C 1.173 176.738 176.000 -0.724 0.000 0.938 249 Q CA 0.938 56.392 55.803 -0.581 0.000 0.872 249 Q CB 0.478 28.678 28.738 -0.897 0.000 0.971 249 Q HN 0.499 nan 8.270 nan 0.000 0.494 250 H N -1.334 117.692 119.070 -0.075 0.000 3.052 250 H HA 0.313 4.869 4.556 -0.000 0.000 0.257 250 H C 0.464 175.770 175.328 -0.037 0.000 1.193 250 H CA 0.086 56.094 56.048 -0.066 0.000 1.072 250 H CB 0.329 30.029 29.762 -0.104 0.000 1.685 250 H HN 0.040 nan 8.280 nan 0.000 0.630 251 G N 1.567 110.363 108.800 -0.006 0.000 2.414 251 G HA2 0.319 4.279 3.960 -0.000 0.000 0.236 251 G HA3 0.319 4.279 3.960 -0.000 0.000 0.236 251 G C -0.107 174.746 174.900 -0.078 0.000 1.293 251 G CA -0.088 44.987 45.100 -0.041 0.000 0.869 251 G HN 0.286 nan 8.290 nan 0.000 0.556 252 I N 1.817 122.350 120.570 -0.062 0.000 2.497 252 I HA 0.155 4.325 4.170 -0.000 0.000 0.284 252 I C -0.563 175.434 176.117 -0.201 0.000 1.060 252 I CA -0.664 60.608 61.300 -0.046 0.000 1.071 252 I CB 2.263 40.403 38.000 0.234 0.000 1.216 252 I HN 0.107 nan 8.210 nan 0.000 0.442 253 V N 6.575 126.266 119.914 -0.372 0.000 2.394 253 V HA 0.308 4.428 4.120 -0.000 0.000 0.282 253 V C -0.614 175.427 176.094 -0.088 0.000 1.031 253 V CA -0.507 61.601 62.300 -0.321 0.000 0.881 253 V CB 1.713 33.303 31.823 -0.388 0.000 0.982 253 V HN 0.450 nan 8.190 nan 0.000 0.451 254 F N 6.631 126.403 119.950 -0.296 0.000 2.325 254 F HA 0.577 5.104 4.527 -0.000 0.000 0.369 254 F C 0.106 175.902 175.800 -0.007 0.000 1.095 254 F CA -0.717 57.230 58.000 -0.088 0.000 1.082 254 F CB 0.728 39.687 39.000 -0.068 0.000 1.289 254 F HN 0.383 nan 8.300 nan 0.000 0.462 255 I N 5.392 125.843 120.570 -0.200 0.000 2.278 255 I HA 0.103 4.273 4.170 -0.000 0.000 0.296 255 I C 0.095 176.055 176.117 -0.263 0.000 1.121 255 I CA -0.315 60.921 61.300 -0.107 0.000 1.267 255 I CB -0.138 37.840 38.000 -0.036 0.000 1.447 255 I HN 0.469 nan 8.210 nan 0.000 0.509 256 D N 6.195 126.557 120.400 -0.063 0.000 2.382 256 D HA -0.034 4.606 4.640 -0.000 0.000 0.240 256 D C 0.773 177.066 176.300 -0.012 0.000 1.146 256 D CA 0.155 54.170 54.000 0.024 0.000 0.897 256 D CB 0.653 41.621 40.800 0.281 0.000 1.197 256 D HN 0.687 nan 8.370 nan 0.000 0.432 257 E N 1.375 121.559 120.200 -0.027 0.000 2.238 257 E HA -0.303 4.047 4.350 -0.000 0.000 0.219 257 E C 0.403 176.934 176.600 -0.115 0.000 1.275 257 E CA 0.229 56.579 56.400 -0.083 0.000 0.714 257 E CB -1.808 27.860 29.700 -0.053 0.000 1.154 257 E HN 0.642 nan 8.360 nan 0.000 0.363 258 I N 1.128 121.628 120.570 -0.116 0.000 2.493 258 I HA -0.241 3.929 4.170 -0.000 0.000 0.254 258 I C 1.981 178.007 176.117 -0.152 0.000 1.160 258 I CA 1.780 63.032 61.300 -0.079 0.000 1.445 258 I CB -0.112 37.880 38.000 -0.013 0.000 1.086 258 I HN 0.431 nan 8.210 nan 0.000 0.433 259 D N 0.811 120.958 120.400 -0.422 0.000 2.309 259 D HA -0.254 4.386 4.640 -0.000 0.000 0.212 259 D C 1.432 177.528 176.300 -0.341 0.000 0.968 259 D CA 1.044 54.612 54.000 -0.719 0.000 0.882 259 D CB -0.500 39.249 40.800 -1.751 0.000 0.918 259 D HN 0.365 nan 8.370 nan 0.000 0.503 260 K N 0.300 120.563 120.400 -0.228 0.000 2.505 260 K HA 0.148 4.468 4.320 -0.000 0.000 0.192 260 K C 1.254 177.806 176.600 -0.081 0.000 1.025 260 K CA 0.112 56.318 56.287 -0.135 0.000 1.086 260 K CB 0.141 32.578 32.500 -0.106 0.000 0.840 260 K HN 0.444 nan 8.250 nan 0.000 0.514 261 I N -3.636 116.893 120.570 -0.068 0.000 3.817 261 I HA 0.240 4.410 4.170 -0.000 0.000 0.325 261 I C -0.008 176.097 176.117 -0.020 0.000 1.550 261 I CA -0.691 60.589 61.300 -0.033 0.000 1.100 261 I CB 0.191 38.184 38.000 -0.012 0.000 1.216 261 I HN -0.195 nan 8.210 nan 0.000 0.481 262 C N 2.025 121.312 119.300 -0.021 0.000 2.335 262 C HA 0.474 4.934 4.460 -0.000 0.000 0.363 262 C C 0.550 175.542 174.990 0.003 0.000 1.198 262 C CA -0.620 58.406 59.018 0.012 0.000 2.279 262 C CB 1.503 29.278 27.740 0.058 0.000 2.334 262 C HN 0.505 nan 8.230 nan 0.000 0.559 263 K N 1.341 121.748 120.400 0.012 0.000 2.298 263 K HA 0.604 4.924 4.320 -0.000 0.000 0.280 263 K C -0.551 176.054 176.600 0.009 0.000 1.032 263 K CA -0.217 56.074 56.287 0.006 0.000 0.958 263 K CB 0.741 33.246 32.500 0.007 0.000 0.978 263 K HN 0.520 nan 8.250 nan 0.000 0.472 264 R N 1.090 121.591 120.500 0.002 0.000 2.750 264 R HA 0.302 4.642 4.340 -0.000 0.000 0.281 264 R C -0.114 176.187 176.300 0.003 0.000 0.972 264 R CA -0.375 55.727 56.100 0.003 0.000 0.912 264 R CB 1.829 32.127 30.300 -0.005 0.000 1.187 264 R HN 0.903 nan 8.270 nan 0.000 0.464 265 G N 2.632 111.435 108.800 0.005 0.000 3.455 265 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.250 265 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.250 265 G C 0.280 175.181 174.900 0.003 0.000 1.071 265 G CA -0.014 45.089 45.100 0.004 0.000 1.812 265 G HN 0.664 nan 8.290 nan 0.000 0.643 266 E N -0.847 119.354 120.200 0.001 0.000 2.391 266 E HA 0.124 4.474 4.350 -0.000 0.000 0.206 266 E C 0.513 177.114 176.600 0.001 0.000 0.851 266 E CA 0.388 56.788 56.400 0.000 0.000 1.059 266 E CB 0.629 30.328 29.700 -0.003 0.000 1.065 266 E HN 0.241 nan 8.360 nan 0.000 0.512 267 S N -1.597 114.104 115.700 0.001 0.000 3.070 267 S HA 0.507 4.977 4.470 -0.000 0.000 0.320 267 S C -0.065 174.538 174.600 0.004 0.000 1.215 267 S CA 0.228 58.430 58.200 0.004 0.000 0.956 267 S CB 1.063 64.266 63.200 0.004 0.000 1.337 267 S HN 0.093 nan 8.310 nan 0.000 0.639 268 S N -1.368 114.336 115.700 0.006 0.000 3.364 268 S HA 0.255 4.725 4.470 -0.000 0.000 0.257 268 S C 1.672 176.277 174.600 0.009 0.000 1.098 268 S CA 1.128 59.332 58.200 0.006 0.000 0.888 268 S CB -0.821 62.383 63.200 0.008 0.000 0.925 268 S HN 0.881 nan 8.310 nan 0.000 0.442 269 G N 3.270 112.079 108.800 0.015 0.000 2.476 269 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.218 269 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.218 269 G C -0.253 174.654 174.900 0.012 0.000 1.164 269 G CA 1.383 46.497 45.100 0.023 0.000 0.768 269 G HN 0.592 nan 8.290 nan 0.000 0.560 270 P HA -0.031 nan 4.420 nan 0.000 0.219 270 P C 0.733 178.022 177.300 -0.018 0.000 1.150 270 P CA 1.202 64.292 63.100 -0.017 0.000 0.814 270 P CB 0.052 31.742 31.700 -0.016 0.000 0.787 271 D N 0.070 120.464 120.400 -0.009 0.000 2.123 271 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 271 D C 2.152 178.446 176.300 -0.009 0.000 0.992 271 D CA 0.911 54.906 54.000 -0.009 0.000 0.833 271 D CB -0.704 40.094 40.800 -0.003 0.000 0.954 271 D HN 0.036 nan 8.370 nan 0.000 0.455 272 V N 1.472 121.382 119.914 -0.006 0.000 2.358 272 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 272 V C 2.729 178.815 176.094 -0.013 0.000 1.047 272 V CA 2.051 64.347 62.300 -0.005 0.000 1.035 272 V CB -0.476 31.349 31.823 0.004 0.000 0.658 272 V HN 0.286 nan 8.190 nan 0.000 0.452 273 S N -0.028 115.659 115.700 -0.021 0.000 2.371 273 S HA -0.210 4.260 4.470 -0.000 0.000 0.224 273 S C 2.058 176.639 174.600 -0.032 0.000 1.029 273 S CA 1.187 59.364 58.200 -0.038 0.000 0.978 273 S CB -0.398 62.754 63.200 -0.081 0.000 0.833 273 S HN 0.487 nan 8.310 nan 0.000 0.466 274 R N 1.364 121.847 120.500 -0.030 0.000 2.088 274 R HA -0.010 4.330 4.340 -0.000 0.000 0.232 274 R C 2.681 178.970 176.300 -0.018 0.000 1.136 274 R CA 2.038 58.124 56.100 -0.023 0.000 0.926 274 R CB -0.445 29.841 30.300 -0.022 0.000 0.837 274 R HN 0.557 nan 8.270 nan 0.000 0.429 275 E N -0.664 119.526 120.200 -0.017 0.000 2.209 275 E HA -0.160 4.190 4.350 -0.000 0.000 0.196 275 E C 1.970 178.555 176.600 -0.026 0.000 0.993 275 E CA 1.133 57.522 56.400 -0.019 0.000 0.819 275 E CB -0.172 29.519 29.700 -0.015 0.000 0.745 275 E HN 0.565 nan 8.360 nan 0.000 0.477 276 G N 1.105 109.891 108.800 -0.024 0.000 2.440 276 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 276 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 276 G C 1.743 176.618 174.900 -0.041 0.000 1.154 276 G CA 0.774 45.857 45.100 -0.029 0.000 0.767 276 G HN 0.157 nan 8.290 nan 0.000 0.552 277 V N 0.509 120.405 119.914 -0.031 0.000 2.490 277 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 277 V C 2.841 178.884 176.094 -0.084 0.000 1.061 277 V CA 2.063 64.337 62.300 -0.045 0.000 1.064 277 V CB -0.515 31.320 31.823 0.021 0.000 0.670 277 V HN 0.447 nan 8.190 nan 0.000 0.461 278 Q N -0.563 119.199 119.800 -0.063 0.000 2.079 278 Q HA -0.123 4.217 4.340 -0.000 0.000 0.200 278 Q C 2.572 178.517 176.000 -0.092 0.000 0.974 278 Q CA 1.021 56.779 55.803 -0.075 0.000 0.840 278 Q CB -0.182 28.527 28.738 -0.049 0.000 0.898 278 Q HN 0.496 nan 8.270 nan 0.000 0.430 279 R N 0.912 121.367 120.500 -0.075 0.000 2.120 279 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 279 R C 1.486 177.728 176.300 -0.096 0.000 1.123 279 R CA 1.056 57.111 56.100 -0.075 0.000 0.975 279 R CB -0.332 29.935 30.300 -0.055 0.000 0.866 279 R HN 0.398 nan 8.270 nan 0.000 0.446 280 D N 0.410 120.743 120.400 -0.111 0.000 2.183 280 D HA -0.098 4.542 4.640 -0.000 0.000 0.203 280 D C 1.836 178.023 176.300 -0.188 0.000 0.969 280 D CA 0.689 54.604 54.000 -0.141 0.000 0.842 280 D CB 0.150 40.855 40.800 -0.157 0.000 0.957 280 D HN 0.051 nan 8.370 nan 0.000 0.484 281 L N 0.726 121.825 121.223 -0.207 0.000 2.240 281 L HA -0.051 4.289 4.340 -0.000 0.000 0.211 281 L C 2.089 178.818 176.870 -0.233 0.000 1.106 281 L CA 0.469 55.162 54.840 -0.245 0.000 0.793 281 L CB -0.318 41.599 42.059 -0.238 0.000 0.927 281 L HN -0.031 nan 8.230 nan 0.000 0.446 282 L N 1.186 122.300 121.223 -0.181 0.000 1.997 282 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 282 L C -0.483 176.290 176.870 -0.161 0.000 1.074 282 L CA 2.424 57.166 54.840 -0.164 0.000 0.763 282 L CB -1.713 40.276 42.059 -0.116 0.000 0.890 282 L HN 0.223 nan 8.230 nan 0.000 0.434 283 P HA -0.182 nan 4.420 nan 0.000 0.218 283 P C 2.162 179.390 177.300 -0.120 0.000 1.149 283 P CA 1.548 64.582 63.100 -0.110 0.000 0.817 283 P CB -0.072 31.577 31.700 -0.085 0.000 0.785 284 L N -0.048 121.082 121.223 -0.155 0.000 2.046 284 L HA -0.107 4.232 4.340 -0.000 0.000 0.208 284 L C 2.563 179.298 176.870 -0.225 0.000 1.077 284 L CA 1.727 56.489 54.840 -0.131 0.000 0.747 284 L CB -1.099 40.878 42.059 -0.136 0.000 0.896 284 L HN -0.057 nan 8.230 nan 0.000 0.432 285 V N -4.425 115.215 119.914 -0.458 0.000 3.608 285 V HA 0.017 4.137 4.120 -0.000 0.000 0.269 285 V C 1.745 177.711 176.094 -0.214 0.000 1.245 285 V CA 0.761 62.749 62.300 -0.521 0.000 1.138 285 V CB 0.071 31.472 31.823 -0.703 0.000 0.841 285 V HN 0.387 nan 8.190 nan 0.000 0.451 286 E N 1.069 121.173 120.200 -0.159 0.000 2.364 286 E HA 0.428 4.778 4.350 -0.000 0.000 0.196 286 E C 0.955 177.507 176.600 -0.080 0.000 0.990 286 E CA 0.647 56.984 56.400 -0.104 0.000 0.886 286 E CB 0.638 30.281 29.700 -0.094 0.000 0.866 286 E HN 0.809 nan 8.360 nan 0.000 0.493 287 G N 0.653 109.410 108.800 -0.072 0.000 3.400 287 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.679 287 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.679 287 G C -0.514 174.360 174.900 -0.043 0.000 1.239 287 G CA -0.617 44.448 45.100 -0.059 0.000 1.049 287 G HN 0.390 nan 8.290 nan 0.000 0.539 288 C N -0.396 118.887 119.300 -0.028 0.000 3.266 288 C HA 0.944 5.404 4.460 -0.000 0.000 0.369 288 C C 0.024 175.008 174.990 -0.010 0.000 1.580 288 C CA -0.159 58.846 59.018 -0.022 0.000 1.165 288 C CB 1.518 29.239 27.740 -0.032 0.000 1.835 288 C HN 1.346 nan 8.230 nan 0.000 0.433 289 T N 1.323 115.872 114.554 -0.009 0.000 2.812 289 T HA 0.680 5.030 4.350 -0.000 0.000 0.282 289 T C -0.591 174.106 174.700 -0.006 0.000 0.990 289 T CA -0.231 61.867 62.100 -0.003 0.000 0.960 289 T CB 1.398 70.267 68.868 0.000 0.000 0.948 289 T HN 0.782 nan 8.240 nan 0.000 0.438 290 V N 2.370 122.281 119.914 -0.004 0.000 2.815 290 V HA 0.528 4.648 4.120 -0.000 0.000 0.314 290 V C 0.092 176.183 176.094 -0.006 0.000 1.064 290 V CA -0.820 61.476 62.300 -0.007 0.000 0.952 290 V CB 2.334 34.151 31.823 -0.009 0.000 1.020 290 V HN 0.892 nan 8.190 nan 0.000 0.439 291 S N 2.147 117.843 115.700 -0.006 0.000 2.422 291 S HA 0.500 4.969 4.470 -0.000 0.000 0.298 291 S C 0.063 174.656 174.600 -0.012 0.000 1.118 291 S CA -0.358 57.840 58.200 -0.002 0.000 1.083 291 S CB 0.847 64.049 63.200 0.003 0.000 0.971 291 S HN 0.840 nan 8.310 nan 0.000 0.478 292 T N 2.549 117.094 114.554 -0.015 0.000 2.943 292 T HA 0.271 4.621 4.350 -0.000 0.000 0.284 292 T C 1.183 175.884 174.700 0.001 0.000 1.015 292 T CA -0.951 61.118 62.100 -0.051 0.000 1.042 292 T CB 1.104 69.918 68.868 -0.089 0.000 1.055 292 T HN 0.626 nan 8.240 nan 0.000 0.500 293 K N 0.442 120.845 120.400 0.005 0.000 2.546 293 K HA 0.122 4.442 4.320 -0.000 0.000 0.198 293 K C 0.405 177.224 176.600 0.365 0.000 1.028 293 K CA 0.688 57.063 56.287 0.146 0.000 1.150 293 K CB -0.192 32.399 32.500 0.153 0.000 0.876 293 K HN 0.746 nan 8.250 nan 0.000 0.508 294 H N -0.552 118.526 119.070 0.013 0.000 3.398 294 H HA 0.266 4.822 4.556 -0.000 0.000 0.260 294 H C 0.319 175.654 175.328 0.012 0.000 1.189 294 H CA -0.613 55.443 56.048 0.013 0.000 1.145 294 H CB 1.452 31.223 29.762 0.014 0.000 1.599 294 H HN 0.435 nan 8.280 nan 0.000 0.615 295 G N 1.088 109.961 108.800 0.121 0.000 2.359 295 G HA2 0.014 3.974 3.960 -0.000 0.000 0.303 295 G HA3 0.014 3.974 3.960 -0.000 0.000 0.303 295 G C -1.618 173.305 174.900 0.037 0.000 1.293 295 G CA -1.103 44.038 45.100 0.068 0.000 0.964 295 G HN 0.011 nan 8.290 nan 0.000 0.531 296 M N 0.939 120.556 119.600 0.028 0.000 2.063 296 M HA 0.606 5.085 4.480 -0.000 0.000 0.348 296 M C -0.151 176.158 176.300 0.014 0.000 1.180 296 M CA -0.325 54.985 55.300 0.017 0.000 1.059 296 M CB 1.193 33.803 32.600 0.016 0.000 1.544 296 M HN 0.471 nan 8.290 nan 0.000 0.447 297 V N 4.912 124.831 119.914 0.007 0.000 2.483 297 V HA 0.470 4.590 4.120 -0.000 0.000 0.295 297 V C -0.124 175.975 176.094 0.008 0.000 1.035 297 V CA -0.951 61.353 62.300 0.006 0.000 0.896 297 V CB 1.856 33.678 31.823 -0.002 0.000 0.986 297 V HN 0.610 nan 8.190 nan 0.000 0.447 298 K N 1.797 122.204 120.400 0.012 0.000 2.265 298 K HA 0.321 4.641 4.320 -0.000 0.000 0.267 298 K C 1.017 177.628 176.600 0.019 0.000 0.994 298 K CA -0.113 56.182 56.287 0.015 0.000 0.860 298 K CB 1.476 33.989 32.500 0.021 0.000 1.099 298 K HN 0.920 nan 8.250 nan 0.000 0.448 299 T N -0.500 114.067 114.554 0.023 0.000 3.118 299 T HA -0.040 4.310 4.350 -0.000 0.000 0.260 299 T C 0.690 175.409 174.700 0.032 0.000 1.139 299 T CA 0.703 62.836 62.100 0.055 0.000 1.085 299 T CB -0.101 68.835 68.868 0.112 0.000 0.934 299 T HN 0.512 nan 8.240 nan 0.000 0.518 300 D N 1.378 121.743 120.400 -0.058 0.000 2.280 300 D HA -0.155 4.485 4.640 -0.000 0.000 0.206 300 D C 1.420 177.437 176.300 -0.471 0.000 0.988 300 D CA 1.204 55.057 54.000 -0.244 0.000 0.886 300 D CB -0.151 40.454 40.800 -0.326 0.000 0.914 300 D HN 0.612 nan 8.370 nan 0.000 0.473 301 H N -1.489 117.588 119.070 0.012 0.000 2.923 301 H HA 0.228 4.784 4.556 -0.000 0.000 0.268 301 H C 0.116 175.425 175.328 -0.031 0.000 1.148 301 H CA -0.556 55.485 56.048 -0.012 0.000 1.146 301 H CB 0.524 30.250 29.762 -0.060 0.000 1.607 301 H HN 0.072 nan 8.280 nan 0.000 0.566 302 I N 1.986 122.570 120.570 0.024 0.000 2.692 302 I HA -0.091 4.079 4.170 -0.000 0.000 0.284 302 I C 0.327 176.347 176.117 -0.162 0.000 1.159 302 I CA -0.092 61.125 61.300 -0.138 0.000 1.423 302 I CB 0.443 38.253 38.000 -0.317 0.000 1.380 302 I HN 0.010 nan 8.210 nan 0.000 0.580 303 L N 7.259 128.355 121.223 -0.212 0.000 2.289 303 L HA 0.536 4.876 4.340 -0.000 0.000 0.285 303 L C -1.236 175.474 176.870 -0.266 0.000 1.049 303 L CA 0.263 55.052 54.840 -0.086 0.000 0.804 303 L CB 0.315 42.383 42.059 0.014 0.000 1.195 303 L HN 0.263 nan 8.230 nan 0.000 0.428 304 F N 5.687 125.659 119.950 0.036 0.000 2.458 304 F HA 0.550 5.077 4.527 -0.000 0.000 0.336 304 F C -0.043 175.773 175.800 0.025 0.000 1.114 304 F CA -0.436 57.574 58.000 0.017 0.000 0.987 304 F CB 1.471 40.458 39.000 -0.021 0.000 1.130 304 F HN 0.253 nan 8.300 nan 0.000 0.458 305 I N 3.697 124.373 120.570 0.176 0.000 2.390 305 I HA 0.497 4.667 4.170 -0.000 0.000 0.283 305 I C -0.126 175.910 176.117 -0.135 0.000 1.016 305 I CA -0.629 60.734 61.300 0.105 0.000 1.151 305 I CB 1.118 39.278 38.000 0.267 0.000 1.293 305 I HN 0.658 nan 8.210 nan 0.000 0.458 306 A N 4.561 127.320 122.820 -0.102 0.000 2.286 306 A HA 0.775 5.095 4.320 -0.000 0.000 0.286 306 A C -0.122 177.317 177.584 -0.241 0.000 1.097 306 A CA -0.333 51.589 52.037 -0.193 0.000 0.821 306 A CB 1.359 20.332 19.000 -0.045 0.000 1.076 306 A HN 0.593 nan 8.150 nan 0.000 0.490 307 S N -0.547 114.993 115.700 -0.266 0.000 2.548 307 S HA 0.765 5.235 4.470 -0.000 0.000 0.276 307 S C -0.384 174.218 174.600 0.004 0.000 1.129 307 S CA 0.196 58.333 58.200 -0.105 0.000 0.931 307 S CB 1.420 64.503 63.200 -0.195 0.000 1.068 307 S HN 1.965 nan 8.310 nan 0.000 0.480 308 G N 0.988 109.862 108.800 0.123 0.000 2.660 308 G HA2 0.674 4.634 3.960 -0.000 0.000 0.290 308 G HA3 0.674 4.634 3.960 -0.000 0.000 0.290 308 G C 0.192 175.112 174.900 0.034 0.000 1.432 308 G CA -0.047 44.988 45.100 -0.109 0.000 0.807 308 G HN 1.065 nan 8.290 nan 0.000 0.485 309 A N -0.756 121.984 122.820 -0.133 0.000 1.973 309 A HA 0.564 4.884 4.320 -0.000 0.000 0.210 309 A C 0.788 178.449 177.584 0.129 0.000 1.200 309 A CA 0.483 52.533 52.037 0.021 0.000 0.707 309 A CB -0.481 18.503 19.000 -0.028 0.000 0.862 309 A HN 1.347 nan 8.150 nan 0.000 0.461 310 F N -0.967 118.988 119.950 0.008 0.000 2.891 310 F HA -0.216 4.311 4.527 -0.000 0.000 0.272 310 F C 1.157 176.960 175.800 0.005 0.000 1.004 310 F CA 0.965 58.968 58.000 0.004 0.000 0.938 310 F CB -1.641 37.361 39.000 0.003 0.000 0.939 310 F HN 0.356 nan 8.300 nan 0.000 0.833 311 Q N 0.693 120.539 119.800 0.077 0.000 2.390 311 Q HA 0.146 4.486 4.340 -0.000 0.000 0.216 311 Q C 2.158 178.184 176.000 0.044 0.000 0.916 311 Q CA 1.234 57.072 55.803 0.057 0.000 0.911 311 Q CB 0.250 29.001 28.738 0.021 0.000 1.035 311 Q HN 0.598 nan 8.270 nan 0.000 0.541 312 I N -1.893 118.689 120.570 0.020 0.000 2.499 312 I HA 0.348 4.518 4.170 -0.000 0.000 0.243 312 I C 0.995 177.139 176.117 0.045 0.000 1.085 312 I CA 0.735 62.044 61.300 0.014 0.000 1.422 312 I CB -1.584 36.404 38.000 -0.019 0.000 1.165 312 I HN -0.020 nan 8.210 nan 0.000 0.440 313 A N 1.228 124.086 122.820 0.064 0.000 2.263 313 A HA 0.682 5.002 4.320 -0.000 0.000 0.318 313 A C -0.152 177.619 177.584 0.310 0.000 1.111 313 A CA -0.506 51.616 52.037 0.142 0.000 0.901 313 A CB 0.912 19.984 19.000 0.120 0.000 1.280 313 A HN 0.367 nan 8.150 nan 0.000 0.503 314 K N -0.379 120.191 120.400 0.283 0.000 2.385 314 K HA 0.428 4.748 4.320 -0.000 0.000 0.248 314 K C -2.312 174.301 176.600 0.022 0.000 0.955 314 K CA -1.768 54.617 56.287 0.164 0.000 0.816 314 K CB 2.077 34.602 32.500 0.041 0.000 1.250 314 K HN 0.215 nan 8.250 nan 0.000 0.434 315 P HA -0.244 nan 4.420 nan 0.000 0.217 315 P C 0.835 178.055 177.300 -0.133 0.000 1.148 315 P CA 1.381 64.204 63.100 -0.460 0.000 0.834 315 P CB 0.167 31.513 31.700 -0.588 0.000 0.783 316 S N -2.105 113.541 115.700 -0.090 0.000 2.595 316 S HA -0.096 4.374 4.470 -0.000 0.000 0.235 316 S C 1.421 176.019 174.600 -0.004 0.000 0.974 316 S CA 0.892 59.067 58.200 -0.042 0.000 0.942 316 S CB -0.852 62.327 63.200 -0.036 0.000 0.766 316 S HN 0.077 nan 8.310 nan 0.000 0.536 317 D N 0.646 121.065 120.400 0.031 0.000 2.348 317 D HA 0.204 4.844 4.640 -0.000 0.000 0.211 317 D C 0.446 176.776 176.300 0.050 0.000 0.998 317 D CA 0.011 54.041 54.000 0.051 0.000 0.873 317 D CB -0.038 40.813 40.800 0.085 0.000 0.925 317 D HN 0.287 nan 8.370 nan 0.000 0.524 318 L N 1.686 122.942 121.223 0.056 0.000 2.482 318 L HA 0.122 4.462 4.340 -0.000 0.000 0.273 318 L C 1.102 177.976 176.870 0.006 0.000 1.228 318 L CA -0.169 54.695 54.840 0.040 0.000 0.827 318 L CB -0.014 42.064 42.059 0.032 0.000 1.099 318 L HN 0.078 nan 8.230 nan 0.000 0.494 319 I N 1.107 121.673 120.570 -0.007 0.000 2.754 319 I HA 0.104 4.274 4.170 -0.000 0.000 0.285 319 I C -1.207 174.895 176.117 -0.024 0.000 1.166 319 I CA -1.221 60.068 61.300 -0.018 0.000 1.417 319 I CB 0.032 38.016 38.000 -0.027 0.000 1.382 319 I HN 0.457 nan 8.210 nan 0.000 0.588 320 P HA -0.190 nan 4.420 nan 0.000 0.216 320 P C 1.028 178.308 177.300 -0.034 0.000 1.150 320 P CA 1.633 64.717 63.100 -0.027 0.000 0.837 320 P CB 0.148 31.835 31.700 -0.023 0.000 0.786 321 E N -0.448 119.729 120.200 -0.039 0.000 2.153 321 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 321 E C 1.988 178.552 176.600 -0.060 0.000 0.988 321 E CA 0.675 57.046 56.400 -0.048 0.000 0.811 321 E CB -1.031 28.637 29.700 -0.053 0.000 0.746 321 E HN 0.174 nan 8.360 nan 0.000 0.466 322 L N 0.434 121.621 121.223 -0.060 0.000 2.162 322 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 322 L C 1.850 178.685 176.870 -0.058 0.000 1.086 322 L CA 1.572 56.369 54.840 -0.072 0.000 0.778 322 L CB -0.292 41.726 42.059 -0.067 0.000 0.928 322 L HN 0.054 nan 8.230 nan 0.000 0.446 323 Q N -0.982 118.791 119.800 -0.045 0.000 2.170 323 Q HA -0.139 4.201 4.340 -0.000 0.000 0.203 323 Q C 2.015 177.991 176.000 -0.040 0.000 0.976 323 Q CA 1.287 57.065 55.803 -0.043 0.000 0.858 323 Q CB -0.451 28.263 28.738 -0.040 0.000 0.907 323 Q HN 0.646 nan 8.270 nan 0.000 0.433 324 G N 0.511 109.287 108.800 -0.040 0.000 2.422 324 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 324 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 324 G C 1.417 176.297 174.900 -0.034 0.000 1.140 324 G CA 0.136 45.216 45.100 -0.034 0.000 0.775 324 G HN 0.077 nan 8.290 nan 0.000 0.545 325 R N -0.543 119.928 120.500 -0.049 0.000 2.310 325 R HA 0.219 4.559 4.340 -0.000 0.000 0.202 325 R C -0.010 176.270 176.300 -0.034 0.000 0.933 325 R CA -0.048 56.021 56.100 -0.052 0.000 1.054 325 R CB 0.017 30.259 30.300 -0.096 0.000 0.985 325 R HN 0.223 nan 8.270 nan 0.000 0.489 326 L N 2.096 123.301 121.223 -0.030 0.000 2.999 326 L HA 0.267 4.607 4.340 -0.000 0.000 0.263 326 L C -1.519 175.344 176.870 -0.012 0.000 1.320 326 L CA -1.956 52.876 54.840 -0.015 0.000 0.913 326 L CB 1.222 43.265 42.059 -0.026 0.000 1.296 326 L HN -0.125 nan 8.230 nan 0.000 0.546 327 P HA -0.149 nan 4.420 nan 0.000 0.218 327 P C 0.573 177.874 177.300 0.002 0.000 1.146 327 P CA 1.211 64.310 63.100 -0.001 0.000 0.813 327 P CB 0.542 32.248 31.700 0.010 0.000 0.778 328 I N 1.094 121.671 120.570 0.011 0.000 2.359 328 I HA 0.271 4.441 4.170 -0.000 0.000 0.294 328 I C 0.707 176.825 176.117 0.002 0.000 0.987 328 I CA -0.757 60.552 61.300 0.015 0.000 1.225 328 I CB 1.081 39.102 38.000 0.035 0.000 1.366 328 I HN -0.100 nan 8.210 nan 0.000 0.466 329 R N 5.067 125.563 120.500 -0.007 0.000 2.513 329 R HA 0.705 5.045 4.340 -0.000 0.000 0.301 329 R C -1.151 175.147 176.300 -0.003 0.000 0.968 329 R CA -0.849 55.237 56.100 -0.023 0.000 0.872 329 R CB 2.596 32.862 30.300 -0.056 0.000 1.177 329 R HN 0.411 nan 8.270 nan 0.000 0.444 330 V N 2.291 122.211 119.914 0.010 0.000 2.733 330 V HA 0.371 4.491 4.120 -0.000 0.000 0.306 330 V C -0.770 175.345 176.094 0.036 0.000 1.084 330 V CA -0.629 61.688 62.300 0.027 0.000 0.905 330 V CB 2.444 34.294 31.823 0.045 0.000 1.010 330 V HN 0.724 nan 8.190 nan 0.000 0.424 331 E N 4.751 124.971 120.200 0.034 0.000 2.248 331 E HA 0.599 4.949 4.350 -0.000 0.000 0.272 331 E C -1.520 175.116 176.600 0.059 0.000 1.008 331 E CA -0.737 55.691 56.400 0.046 0.000 0.856 331 E CB 2.252 31.973 29.700 0.035 0.000 1.120 331 E HN 0.467 nan 8.360 nan 0.000 0.397 332 L N 2.733 124.000 121.223 0.073 0.000 2.333 332 L HA 0.202 4.542 4.340 -0.000 0.000 0.280 332 L C -0.073 176.842 176.870 0.074 0.000 1.004 332 L CA -0.697 54.190 54.840 0.077 0.000 0.820 332 L CB 1.549 43.665 42.059 0.094 0.000 1.247 332 L HN 0.317 nan 8.230 nan 0.000 0.416 333 Q N 1.638 121.479 119.800 0.069 0.000 2.382 333 Q HA 0.549 4.889 4.340 -0.000 0.000 0.229 333 Q C 0.007 176.055 176.000 0.081 0.000 1.006 333 Q CA -0.349 55.494 55.803 0.068 0.000 0.916 333 Q CB 1.252 30.025 28.738 0.059 0.000 1.235 333 Q HN 0.716 nan 8.270 nan 0.000 0.512 334 A N 1.359 124.228 122.820 0.081 0.000 2.366 334 A HA 0.389 4.709 4.320 -0.000 0.000 0.249 334 A C -0.154 177.503 177.584 0.122 0.000 1.084 334 A CA -0.403 51.689 52.037 0.093 0.000 0.794 334 A CB 0.148 19.193 19.000 0.075 0.000 1.034 334 A HN 0.628 nan 8.150 nan 0.000 0.491 335 L N 1.335 122.653 121.223 0.158 0.000 2.349 335 L HA 0.375 4.715 4.340 -0.000 0.000 0.275 335 L C 1.154 178.129 176.870 0.175 0.000 1.115 335 L CA -0.335 54.621 54.840 0.193 0.000 0.820 335 L CB 1.251 43.532 42.059 0.371 0.000 1.135 335 L HN 0.944 nan 8.230 nan 0.000 0.445 336 T N -2.323 112.273 114.554 0.070 0.000 2.912 336 T HA 0.209 4.559 4.350 -0.000 0.000 0.280 336 T C 1.125 175.625 174.700 -0.334 0.000 0.989 336 T CA -0.442 61.592 62.100 -0.110 0.000 0.995 336 T CB 1.361 70.141 68.868 -0.146 0.000 1.077 336 T HN 0.634 nan 8.240 nan 0.000 0.531 337 T N 0.404 114.577 114.554 -0.636 0.000 2.833 337 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 337 T C 2.139 176.752 174.700 -0.145 0.000 1.054 337 T CA 1.421 63.243 62.100 -0.463 0.000 1.135 337 T CB -0.566 67.952 68.868 -0.584 0.000 0.869 337 T HN 0.670 nan 8.240 nan 0.000 0.466 338 S N 1.045 116.653 115.700 -0.153 0.000 2.383 338 S HA -0.152 4.318 4.470 -0.000 0.000 0.227 338 S C 1.750 176.369 174.600 0.031 0.000 1.026 338 S CA 1.074 59.241 58.200 -0.054 0.000 0.981 338 S CB -0.538 62.617 63.200 -0.074 0.000 0.818 338 S HN 0.358 nan 8.310 nan 0.000 0.472 339 D N 0.541 120.974 120.400 0.056 0.000 2.117 339 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 339 D C 1.597 178.067 176.300 0.283 0.000 0.987 339 D CA 0.916 55.006 54.000 0.149 0.000 0.829 339 D CB -0.436 40.469 40.800 0.174 0.000 0.961 339 D HN 0.379 nan 8.370 nan 0.000 0.460 340 F N 1.685 121.659 119.950 0.041 0.000 2.102 340 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 340 F C 2.353 178.158 175.800 0.007 0.000 1.105 340 F CA 0.799 58.822 58.000 0.039 0.000 1.239 340 F CB -0.810 38.237 39.000 0.078 0.000 0.991 340 F HN 0.050 nan 8.300 nan 0.000 0.474 341 E N -0.315 120.004 120.200 0.200 0.000 2.077 341 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 341 E C 2.299 178.927 176.600 0.046 0.000 0.989 341 E CA 1.229 57.681 56.400 0.086 0.000 0.800 341 E CB -0.226 29.504 29.700 0.050 0.000 0.746 341 E HN 0.406 nan 8.360 nan 0.000 0.452 342 R N 0.448 120.982 120.500 0.058 0.000 2.075 342 R HA -0.025 4.315 4.340 -0.000 0.000 0.232 342 R C 2.408 178.724 176.300 0.026 0.000 1.126 342 R CA 0.916 57.036 56.100 0.034 0.000 0.963 342 R CB -0.254 30.068 30.300 0.037 0.000 0.858 342 R HN 0.190 nan 8.270 nan 0.000 0.435 343 I N 0.728 121.325 120.570 0.045 0.000 2.454 343 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 343 I C 1.866 177.978 176.117 -0.010 0.000 1.156 343 I CA 0.621 61.934 61.300 0.022 0.000 1.433 343 I CB -0.060 37.950 38.000 0.017 0.000 1.082 343 I HN 0.120 nan 8.210 nan 0.000 0.432 344 L N 0.328 121.535 121.223 -0.027 0.000 2.217 344 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 344 L C 2.272 179.087 176.870 -0.091 0.000 1.107 344 L CA 2.231 57.026 54.840 -0.075 0.000 0.783 344 L CB -0.659 41.341 42.059 -0.099 0.000 0.919 344 L HN 0.438 nan 8.230 nan 0.000 0.442 345 T N -7.394 107.127 114.554 -0.054 0.000 3.010 345 T HA 0.070 4.420 4.350 -0.000 0.000 0.253 345 T C 1.599 176.286 174.700 -0.022 0.000 0.939 345 T CA 0.167 62.240 62.100 -0.044 0.000 0.910 345 T CB -0.044 68.802 68.868 -0.036 0.000 1.226 345 T HN 0.090 nan 8.240 nan 0.000 0.508 346 E N 2.145 122.333 120.200 -0.018 0.000 2.047 346 E HA 0.101 4.451 4.350 -0.000 0.000 0.191 346 E C -1.510 175.067 176.600 -0.039 0.000 0.987 346 E CA 0.407 56.794 56.400 -0.022 0.000 0.799 346 E CB -0.668 29.024 29.700 -0.013 0.000 0.752 346 E HN 0.448 nan 8.360 nan 0.000 0.449 347 P HA -0.034 nan 4.420 nan 0.000 0.273 347 P C -1.017 176.234 177.300 -0.082 0.000 1.258 347 P CA 0.317 63.374 63.100 -0.072 0.000 0.802 347 P CB 0.346 32.033 31.700 -0.022 0.000 1.040 348 N N 0.189 118.801 118.700 -0.147 0.000 2.472 348 N HA 0.365 5.105 4.740 -0.000 0.000 0.277 348 N C -0.020 175.494 175.510 0.006 0.000 1.081 348 N CA 0.086 53.082 53.050 -0.090 0.000 0.973 348 N CB 0.298 38.692 38.487 -0.155 0.000 1.105 348 N HN 0.480 nan 8.380 nan 0.000 0.470 349 A N 1.176 124.003 122.820 0.011 0.000 2.872 349 A HA -0.217 4.103 4.320 -0.000 0.000 0.273 349 A C 0.743 178.339 177.584 0.021 0.000 1.442 349 A CA 0.708 52.759 52.037 0.023 0.000 0.801 349 A CB -2.497 16.525 19.000 0.037 0.000 1.031 349 A HN 0.767 nan 8.150 nan 0.000 0.582 350 S N -0.548 115.160 115.700 0.013 0.000 2.569 350 S HA 0.357 4.827 4.470 -0.000 0.000 0.274 350 S C 1.536 176.144 174.600 0.013 0.000 1.353 350 S CA -0.065 58.140 58.200 0.009 0.000 1.023 350 S CB 0.112 63.307 63.200 -0.007 0.000 0.876 350 S HN 1.424 nan 8.310 nan 0.000 0.540 351 I N -1.157 119.420 120.570 0.013 0.000 2.335 351 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 351 I C 2.394 178.563 176.117 0.087 0.000 1.129 351 I CA 1.738 63.062 61.300 0.041 0.000 1.402 351 I CB -1.464 36.569 38.000 0.055 0.000 1.069 351 I HN 0.678 nan 8.210 nan 0.000 0.424 352 T N 0.954 115.495 114.554 -0.022 0.000 2.777 352 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 352 T C 2.003 176.775 174.700 0.119 0.000 1.040 352 T CA 1.316 63.354 62.100 -0.103 0.000 1.141 352 T CB -0.138 68.521 68.868 -0.348 0.000 0.868 352 T HN 0.202 nan 8.240 nan 0.000 0.444 353 V N 1.294 121.254 119.914 0.077 0.000 2.358 353 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 353 V C 2.578 178.731 176.094 0.100 0.000 1.047 353 V CA 1.759 64.116 62.300 0.094 0.000 1.035 353 V CB -0.504 31.348 31.823 0.047 0.000 0.658 353 V HN 0.554 nan 8.190 nan 0.000 0.452 354 Q N -1.456 118.389 119.800 0.074 0.000 2.061 354 Q HA -0.267 4.073 4.340 -0.000 0.000 0.204 354 Q C 2.166 178.182 176.000 0.025 0.000 0.984 354 Q CA 2.389 58.207 55.803 0.025 0.000 0.846 354 Q CB -0.326 28.401 28.738 -0.019 0.000 0.902 354 Q HN 0.695 nan 8.270 nan 0.000 0.421 355 Y N 1.090 121.428 120.300 0.064 0.000 2.128 355 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 355 Y C 2.464 178.414 175.900 0.084 0.000 1.154 355 Y CA 1.733 59.889 58.100 0.095 0.000 1.149 355 Y CB -0.015 38.557 38.460 0.187 0.000 0.976 355 Y HN -0.010 nan 8.280 nan 0.000 0.505 356 K N -0.295 120.271 120.400 0.277 0.000 2.044 356 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 356 K C 2.265 178.908 176.600 0.072 0.000 1.049 356 K CA 1.332 57.712 56.287 0.155 0.000 0.927 356 K CB -0.384 32.207 32.500 0.152 0.000 0.713 356 K HN 0.315 nan 8.250 nan 0.000 0.443 357 A N 1.089 123.940 122.820 0.051 0.000 1.865 357 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 357 A C 2.140 179.716 177.584 -0.014 0.000 1.191 357 A CA 1.577 53.620 52.037 0.011 0.000 0.623 357 A CB -0.809 18.191 19.000 -0.001 0.000 0.826 357 A HN 0.307 nan 8.150 nan 0.000 0.444 358 L N -1.128 120.068 121.223 -0.044 0.000 2.012 358 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 358 L C 2.826 179.672 176.870 -0.041 0.000 1.073 358 L CA 1.364 56.157 54.840 -0.078 0.000 0.748 358 L CB -0.452 41.496 42.059 -0.184 0.000 0.891 358 L HN 0.350 nan 8.230 nan 0.000 0.431 359 M N -0.815 118.784 119.600 -0.002 0.000 2.213 359 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 359 M C 2.476 178.775 176.300 -0.003 0.000 1.062 359 M CA 1.713 57.023 55.300 0.016 0.000 1.105 359 M CB -1.312 31.318 32.600 0.049 0.000 1.385 359 M HN 0.302 nan 8.290 nan 0.000 0.417 360 A N -0.583 122.235 122.820 -0.003 0.000 1.969 360 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 360 A C 2.263 179.838 177.584 -0.014 0.000 1.169 360 A CA 1.837 53.869 52.037 -0.008 0.000 0.635 360 A CB -0.993 18.005 19.000 -0.004 0.000 0.810 360 A HN 0.437 nan 8.150 nan 0.000 0.445 361 T N -0.564 113.979 114.554 -0.018 0.000 2.849 361 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 361 T C 1.614 176.300 174.700 -0.023 0.000 1.066 361 T CA 1.842 63.929 62.100 -0.023 0.000 1.130 361 T CB -0.120 68.730 68.868 -0.030 0.000 0.864 361 T HN 0.569 nan 8.240 nan 0.000 0.481 362 E N -0.374 119.813 120.200 -0.022 0.000 2.474 362 E HA 0.292 4.641 4.350 -0.000 0.000 0.195 362 E C 1.260 177.848 176.600 -0.020 0.000 1.039 362 E CA 0.350 56.737 56.400 -0.023 0.000 0.881 362 E CB 0.005 29.692 29.700 -0.023 0.000 0.970 362 E HN 0.403 nan 8.360 nan 0.000 0.486 363 G N 0.035 108.825 108.800 -0.017 0.000 2.137 363 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.237 363 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.237 363 G C -0.114 174.775 174.900 -0.018 0.000 1.002 363 G CA 0.327 45.417 45.100 -0.016 0.000 0.702 363 G HN 0.154 nan 8.290 nan 0.000 0.515 364 V N 0.325 120.228 119.914 -0.018 0.000 2.459 364 V HA 0.569 4.689 4.120 -0.000 0.000 0.295 364 V C 0.213 176.287 176.094 -0.032 0.000 1.029 364 V CA -1.032 61.253 62.300 -0.025 0.000 0.874 364 V CB 1.862 33.671 31.823 -0.023 0.000 0.985 364 V HN 0.371 nan 8.190 nan 0.000 0.438 365 N N 4.804 123.477 118.700 -0.043 0.000 2.420 365 N HA 0.353 5.093 4.740 -0.000 0.000 0.249 365 N C -0.929 174.524 175.510 -0.094 0.000 1.033 365 N CA -0.301 52.717 53.050 -0.053 0.000 0.944 365 N CB 0.491 38.952 38.487 -0.045 0.000 1.113 365 N HN 0.468 nan 8.380 nan 0.000 0.502 366 I N 2.410 122.912 120.570 -0.113 0.000 2.392 366 I HA 0.406 4.576 4.170 -0.000 0.000 0.295 366 I C -0.146 175.811 176.117 -0.266 0.000 0.985 366 I CA -0.439 60.724 61.300 -0.228 0.000 1.221 366 I CB 1.464 39.336 38.000 -0.214 0.000 1.366 366 I HN 0.464 nan 8.210 nan 0.000 0.467 367 E N 5.534 125.497 120.200 -0.396 0.000 2.290 367 E HA 0.419 4.769 4.350 -0.000 0.000 0.274 367 E C -1.487 174.854 176.600 -0.431 0.000 0.889 367 E CA -0.501 55.722 56.400 -0.294 0.000 0.760 367 E CB 2.366 31.983 29.700 -0.138 0.000 1.206 367 E HN 0.184 nan 8.360 nan 0.000 0.419 368 F N 1.144 121.067 119.950 -0.046 0.000 2.415 368 F HA 0.275 4.802 4.527 -0.000 0.000 0.348 368 F C 1.307 177.093 175.800 -0.023 0.000 1.119 368 F CA -0.680 57.294 58.000 -0.044 0.000 1.069 368 F CB 1.388 40.367 39.000 -0.035 0.000 1.124 368 F HN 0.144 nan 8.300 nan 0.000 0.472 369 T N -1.427 113.206 114.554 0.131 0.000 2.882 369 T HA 0.169 4.519 4.350 -0.000 0.000 0.287 369 T C 0.748 175.507 174.700 0.098 0.000 1.014 369 T CA -0.692 61.459 62.100 0.085 0.000 1.049 369 T CB 1.127 70.026 68.868 0.053 0.000 1.001 369 T HN 0.507 nan 8.240 nan 0.000 0.525 370 D N 1.167 121.607 120.400 0.066 0.000 2.133 370 D HA -0.105 4.535 4.640 -0.000 0.000 0.192 370 D C 2.229 178.561 176.300 0.052 0.000 1.001 370 D CA 1.703 55.734 54.000 0.052 0.000 0.844 370 D CB -0.347 40.473 40.800 0.034 0.000 0.944 370 D HN 0.581 nan 8.370 nan 0.000 0.447 371 S N -0.772 114.960 115.700 0.052 0.000 2.428 371 S HA -0.009 4.461 4.470 -0.000 0.000 0.230 371 S C 2.024 176.667 174.600 0.072 0.000 1.014 371 S CA 0.868 59.099 58.200 0.051 0.000 0.957 371 S CB -0.291 62.935 63.200 0.044 0.000 0.784 371 S HN 0.413 nan 8.310 nan 0.000 0.499 372 G N 1.638 110.496 108.800 0.097 0.000 2.418 372 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 372 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 372 G C 1.309 176.283 174.900 0.123 0.000 1.158 372 G CA 0.583 45.763 45.100 0.135 0.000 0.771 372 G HN 0.487 nan 8.290 nan 0.000 0.545 373 I N 0.064 120.691 120.570 0.096 0.000 2.353 373 I HA -0.057 4.113 4.170 -0.000 0.000 0.248 373 I C 2.680 178.820 176.117 0.037 0.000 1.119 373 I CA 0.988 62.305 61.300 0.029 0.000 1.417 373 I CB -0.110 37.884 38.000 -0.010 0.000 1.078 373 I HN 0.111 nan 8.210 nan 0.000 0.421 374 K N 0.893 121.320 120.400 0.044 0.000 2.063 374 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 374 K C 2.281 178.912 176.600 0.051 0.000 1.048 374 K CA 1.576 57.885 56.287 0.037 0.000 0.928 374 K CB 0.001 32.516 32.500 0.025 0.000 0.713 374 K HN 0.054 nan 8.250 nan 0.000 0.442 375 R N 0.302 120.839 120.500 0.063 0.000 2.148 375 R HA 0.063 4.403 4.340 -0.000 0.000 0.223 375 R C 2.086 178.441 176.300 0.092 0.000 1.088 375 R CA 0.875 57.020 56.100 0.075 0.000 0.985 375 R CB -0.023 30.326 30.300 0.082 0.000 0.880 375 R HN 0.231 nan 8.270 nan 0.000 0.451 376 I N -0.242 120.379 120.570 0.085 0.000 2.202 376 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 376 I C 2.329 178.514 176.117 0.113 0.000 1.091 376 I CA 1.253 62.599 61.300 0.078 0.000 1.368 376 I CB -0.376 37.636 38.000 0.020 0.000 1.058 376 I HN 0.231 nan 8.210 nan 0.000 0.410 377 A N 0.385 123.286 122.820 0.135 0.000 1.877 377 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 377 A C 2.198 179.967 177.584 0.309 0.000 1.186 377 A CA 1.820 54.022 52.037 0.276 0.000 0.620 377 A CB -0.655 18.494 19.000 0.249 0.000 0.822 377 A HN 0.402 nan 8.150 nan 0.000 0.443 378 E N -0.411 119.892 120.200 0.172 0.000 2.070 378 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 378 E C 2.301 179.024 176.600 0.205 0.000 1.004 378 E CA 1.325 57.810 56.400 0.141 0.000 0.805 378 E CB -0.286 29.458 29.700 0.074 0.000 0.744 378 E HN 0.617 nan 8.360 nan 0.000 0.451 379 A N 1.003 123.927 122.820 0.173 0.000 1.877 379 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 379 A C 2.383 180.084 177.584 0.194 0.000 1.186 379 A CA 1.886 54.017 52.037 0.157 0.000 0.620 379 A CB -0.898 18.173 19.000 0.118 0.000 0.822 379 A HN 0.346 nan 8.150 nan 0.000 0.443 380 A N -1.228 121.734 122.820 0.236 0.000 1.908 380 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 380 A C 2.119 179.941 177.584 0.398 0.000 1.181 380 A CA 1.598 53.799 52.037 0.273 0.000 0.627 380 A CB -0.965 18.182 19.000 0.245 0.000 0.818 380 A HN 0.893 nan 8.150 nan 0.000 0.445 381 W N 0.614 122.071 121.300 0.261 0.000 2.363 381 W HA -0.200 4.460 4.660 -0.000 0.000 0.296 381 W C 1.979 178.521 176.519 0.038 0.000 1.212 381 W CA 2.247 59.626 57.345 0.056 0.000 1.260 381 W CB -0.383 28.991 29.460 -0.143 0.000 1.131 381 W HN 0.484 nan 8.180 nan 0.000 0.530 382 Q N 0.842 120.813 119.800 0.285 0.000 2.061 382 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 382 Q C 2.124 178.149 176.000 0.042 0.000 0.984 382 Q CA 2.886 58.790 55.803 0.168 0.000 0.846 382 Q CB -0.895 27.942 28.738 0.165 0.000 0.902 382 Q HN 0.146 nan 8.270 nan 0.000 0.421 383 V N 0.860 120.804 119.914 0.050 0.000 2.427 383 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 383 V C 1.876 177.945 176.094 -0.041 0.000 1.051 383 V CA 1.997 64.307 62.300 0.016 0.000 1.048 383 V CB -0.780 31.064 31.823 0.035 0.000 0.666 383 V HN 0.446 nan 8.190 nan 0.000 0.456 384 N N -0.428 118.220 118.700 -0.086 0.000 2.188 384 N HA -0.168 4.572 4.740 -0.000 0.000 0.184 384 N C 1.995 177.351 175.510 -0.256 0.000 1.018 384 N CA 0.882 53.830 53.050 -0.171 0.000 0.858 384 N CB 0.003 38.359 38.487 -0.217 0.000 0.989 384 N HN 0.383 nan 8.380 nan 0.000 0.426 385 E N 0.545 120.546 120.200 -0.331 0.000 2.112 385 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 385 E C 2.005 178.537 176.600 -0.114 0.000 0.979 385 E CA 0.447 56.685 56.400 -0.271 0.000 0.814 385 E CB -0.066 29.483 29.700 -0.252 0.000 0.762 385 E HN 0.186 nan 8.360 nan 0.000 0.460 386 S N -0.099 115.560 115.700 -0.069 0.000 2.345 386 S HA -0.099 4.371 4.470 -0.000 0.000 0.220 386 S C 1.825 176.410 174.600 -0.026 0.000 1.031 386 S CA 2.050 60.236 58.200 -0.024 0.000 0.996 386 S CB -0.290 62.912 63.200 0.004 0.000 0.882 386 S HN 0.411 nan 8.310 nan 0.000 0.445 387 T N -0.764 113.770 114.554 -0.034 0.000 2.124 387 T HA 0.474 4.824 4.350 -0.000 0.000 0.184 387 T C -0.394 174.279 174.700 -0.045 0.000 0.688 387 T CA -0.467 61.617 62.100 -0.027 0.000 1.680 387 T CB -0.445 68.416 68.868 -0.013 0.000 3.188 387 T HN 0.203 nan 8.240 nan 0.000 0.398 388 E N 1.647 121.820 120.200 -0.045 0.000 2.175 388 E HA 0.411 4.761 4.350 -0.000 0.000 0.278 388 E C -0.915 175.646 176.600 -0.066 0.000 0.969 388 E CA -0.303 56.065 56.400 -0.053 0.000 0.796 388 E CB 1.065 30.739 29.700 -0.043 0.000 1.104 388 E HN 0.572 nan 8.360 nan 0.000 0.395 389 N N 3.312 121.963 118.700 -0.081 0.000 2.402 389 N HA 0.122 4.862 4.740 -0.000 0.000 0.252 389 N C 0.224 175.702 175.510 -0.053 0.000 1.118 389 N CA -0.081 52.912 53.050 -0.094 0.000 0.945 389 N CB 0.283 38.691 38.487 -0.132 0.000 1.147 389 N HN 0.538 nan 8.380 nan 0.000 0.495 390 I N 1.352 121.901 120.570 -0.036 0.000 3.877 390 I HA 0.485 4.655 4.170 -0.000 0.000 0.332 390 I C 0.919 177.030 176.117 -0.009 0.000 1.525 390 I CA -0.567 60.719 61.300 -0.024 0.000 1.146 390 I CB -0.259 37.721 38.000 -0.032 0.000 1.137 390 I HN 0.626 nan 8.210 nan 0.000 0.424 391 G N 2.139 110.957 108.800 0.030 0.000 2.564 391 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.273 391 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.273 391 G C 0.842 175.774 174.900 0.054 0.000 1.242 391 G CA 0.590 45.751 45.100 0.101 0.000 0.951 391 G HN 0.727 nan 8.290 nan 0.000 0.564 392 A N -0.646 122.143 122.820 -0.052 0.000 2.070 392 A HA 0.042 4.362 4.320 -0.000 0.000 0.220 392 A C 2.400 179.661 177.584 -0.539 0.000 1.159 392 A CA 2.081 53.872 52.037 -0.409 0.000 0.656 392 A CB -0.395 18.451 19.000 -0.258 0.000 0.800 392 A HN 0.686 nan 8.150 nan 0.000 0.453 393 R N -0.951 119.344 120.500 -0.341 0.000 2.154 393 R HA -0.219 4.121 4.340 -0.000 0.000 0.248 393 R C 2.295 178.350 176.300 -0.410 0.000 1.155 393 R CA 1.714 57.592 56.100 -0.371 0.000 0.979 393 R CB -0.238 29.994 30.300 -0.114 0.000 0.869 393 R HN 0.457 nan 8.270 nan 0.000 0.452 394 R N 1.044 121.370 120.500 -0.291 0.000 2.159 394 R HA -0.088 4.252 4.340 -0.000 0.000 0.237 394 R C 1.864 178.023 176.300 -0.234 0.000 1.131 394 R CA 1.177 57.164 56.100 -0.188 0.000 0.982 394 R CB -0.389 29.868 30.300 -0.071 0.000 0.868 394 R HN 0.241 nan 8.270 nan 0.000 0.453 395 L N -0.656 120.299 121.223 -0.447 0.000 2.141 395 L HA -0.169 4.170 4.340 -0.000 0.000 0.209 395 L C 2.074 178.875 176.870 -0.114 0.000 1.094 395 L CA 1.063 55.709 54.840 -0.322 0.000 0.763 395 L CB -0.603 41.198 42.059 -0.429 0.000 0.908 395 L HN 0.327 nan 8.230 nan 0.000 0.437 396 H N -0.489 118.530 119.070 -0.085 0.000 2.353 396 H HA -0.124 4.432 4.556 -0.000 0.000 0.300 396 H C 2.495 177.827 175.328 0.005 0.000 1.090 396 H CA 1.965 57.998 56.048 -0.025 0.000 1.327 396 H CB -0.990 28.760 29.762 -0.019 0.000 1.383 396 H HN 0.420 nan 8.280 nan 0.000 0.508 397 T N -1.076 113.537 114.554 0.098 0.000 2.812 397 T HA -0.057 4.293 4.350 -0.000 0.000 0.264 397 T C 2.312 177.047 174.700 0.058 0.000 1.042 397 T CA 1.233 63.377 62.100 0.073 0.000 1.140 397 T CB -0.902 67.992 68.868 0.043 0.000 0.870 397 T HN 0.081 nan 8.240 nan 0.000 0.445 398 V N 1.794 121.728 119.914 0.033 0.000 2.237 398 V HA -0.080 4.040 4.120 -0.000 0.000 0.245 398 V C 2.614 178.727 176.094 0.031 0.000 1.046 398 V CA 1.668 63.990 62.300 0.037 0.000 1.007 398 V CB -0.972 30.871 31.823 0.033 0.000 0.638 398 V HN 0.369 nan 8.190 nan 0.000 0.445 399 L N 0.234 121.464 121.223 0.012 0.000 2.043 399 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 399 L C 2.501 179.350 176.870 -0.035 0.000 1.075 399 L CA 2.013 56.831 54.840 -0.037 0.000 0.752 399 L CB -0.859 41.177 42.059 -0.039 0.000 0.891 399 L HN 0.314 nan 8.230 nan 0.000 0.432 400 E N -0.567 119.677 120.200 0.074 0.000 2.072 400 E HA -0.242 4.108 4.350 -0.000 0.000 0.191 400 E C 2.353 179.009 176.600 0.094 0.000 0.985 400 E CA 1.042 57.524 56.400 0.136 0.000 0.801 400 E CB -0.288 29.509 29.700 0.162 0.000 0.750 400 E HN 0.371 nan 8.360 nan 0.000 0.452 401 R N 1.228 121.772 120.500 0.073 0.000 2.092 401 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 401 R C 2.258 178.594 176.300 0.061 0.000 1.119 401 R CA 0.829 56.972 56.100 0.072 0.000 0.970 401 R CB -0.875 29.468 30.300 0.071 0.000 0.864 401 R HN 0.188 nan 8.270 nan 0.000 0.440 402 L N -0.337 120.911 121.223 0.043 0.000 2.083 402 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 402 L C 1.483 178.341 176.870 -0.021 0.000 1.083 402 L CA 1.748 56.608 54.840 0.033 0.000 0.752 402 L CB -0.161 41.932 42.059 0.056 0.000 0.899 402 L HN 0.231 nan 8.230 nan 0.000 0.433 403 M N -1.626 117.951 119.600 -0.039 0.000 2.428 403 M HA 0.074 4.554 4.480 -0.000 0.000 0.239 403 M C 1.758 178.113 176.300 0.091 0.000 1.121 403 M CA 0.278 55.563 55.300 -0.025 0.000 1.019 403 M CB -0.293 32.187 32.600 -0.200 0.000 1.485 403 M HN 0.230 nan 8.290 nan 0.000 0.484 404 E N 1.689 121.945 120.200 0.094 0.000 2.187 404 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 404 E C 1.756 178.432 176.600 0.127 0.000 1.004 404 E CA 1.562 58.034 56.400 0.120 0.000 0.813 404 E CB 0.237 29.991 29.700 0.090 0.000 0.736 404 E HN 0.451 nan 8.360 nan 0.000 0.468 405 E N -0.187 120.072 120.200 0.099 0.000 2.016 405 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 405 E C 2.143 178.842 176.600 0.165 0.000 0.985 405 E CA 0.951 57.426 56.400 0.126 0.000 0.802 405 E CB -0.131 29.639 29.700 0.116 0.000 0.762 405 E HN 0.352 nan 8.360 nan 0.000 0.448 406 I N 1.223 121.874 120.570 0.135 0.000 2.179 406 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 406 I C 2.643 178.842 176.117 0.137 0.000 1.088 406 I CA 0.990 62.359 61.300 0.114 0.000 1.357 406 I CB -1.408 36.619 38.000 0.046 0.000 1.051 406 I HN 0.042 nan 8.210 nan 0.000 0.409 407 S N -0.160 115.646 115.700 0.176 0.000 2.402 407 S HA -0.270 4.200 4.470 -0.000 0.000 0.233 407 S C 2.140 176.833 174.600 0.156 0.000 1.030 407 S CA 1.572 59.879 58.200 0.178 0.000 1.003 407 S CB -0.403 62.931 63.200 0.223 0.000 0.813 407 S HN 0.502 nan 8.310 nan 0.000 0.477 408 Y N 1.406 121.744 120.300 0.063 0.000 2.231 408 Y HA 0.054 4.604 4.550 -0.000 0.000 0.294 408 Y C 1.937 177.861 175.900 0.039 0.000 1.120 408 Y CA 1.612 59.740 58.100 0.047 0.000 1.141 408 Y CB -0.260 38.228 38.460 0.048 0.000 1.022 408 Y HN 0.219 nan 8.280 nan 0.000 0.523 409 D N 0.428 120.942 120.400 0.191 0.000 2.269 409 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 409 D C 2.182 178.489 176.300 0.012 0.000 0.963 409 D CA 0.933 54.991 54.000 0.096 0.000 0.864 409 D CB -0.519 40.370 40.800 0.148 0.000 0.936 409 D HN 0.467 nan 8.370 nan 0.000 0.505 410 A N 1.247 124.076 122.820 0.015 0.000 1.906 410 A HA -0.391 3.929 4.320 -0.000 0.000 0.236 410 A C 2.411 179.980 177.584 -0.024 0.000 1.793 410 A CA 3.382 55.417 52.037 -0.002 0.000 0.813 410 A CB -1.273 17.724 19.000 -0.004 0.000 0.841 410 A HN 0.320 nan 8.150 nan 0.000 0.491 411 S N 0.292 115.961 115.700 -0.052 0.000 2.389 411 S HA -0.236 4.234 4.470 -0.000 0.000 0.231 411 S C 1.272 175.849 174.600 -0.038 0.000 1.052 411 S CA 1.903 60.071 58.200 -0.052 0.000 1.053 411 S CB -0.784 62.368 63.200 -0.079 0.000 0.886 411 S HN 0.694 nan 8.310 nan 0.000 0.456 412 D N 0.213 120.590 120.400 -0.037 0.000 2.363 412 D HA 0.158 4.798 4.640 -0.000 0.000 0.226 412 D C 0.732 177.031 176.300 -0.001 0.000 1.020 412 D CA 0.262 54.252 54.000 -0.016 0.000 0.892 412 D CB 0.008 40.803 40.800 -0.009 0.000 0.900 412 D HN 0.188 nan 8.370 nan 0.000 0.531 413 L N -0.276 120.946 121.223 -0.003 0.000 2.906 413 L HA 0.215 4.555 4.340 -0.000 0.000 0.255 413 L C 0.501 177.367 176.870 -0.006 0.000 1.166 413 L CA -0.041 54.801 54.840 0.002 0.000 0.977 413 L CB 0.158 42.223 42.059 0.009 0.000 1.313 413 L HN -0.214 nan 8.230 nan 0.000 0.549 414 S N -0.148 115.546 115.700 -0.011 0.000 2.561 414 S HA 0.288 4.758 4.470 -0.000 0.000 0.294 414 S C 1.506 176.099 174.600 -0.012 0.000 1.294 414 S CA 0.988 59.180 58.200 -0.014 0.000 1.055 414 S CB 0.083 63.274 63.200 -0.015 0.000 0.819 414 S HN 0.805 nan 8.310 nan 0.000 0.503 415 G N 3.050 111.842 108.800 -0.014 0.000 2.162 415 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.260 415 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.260 415 G C -0.062 174.830 174.900 -0.014 0.000 0.976 415 G CA 0.555 45.647 45.100 -0.013 0.000 0.655 415 G HN 0.763 nan 8.290 nan 0.000 0.533 416 Q N -0.424 119.366 119.800 -0.017 0.000 2.241 416 Q HA 0.494 4.834 4.340 -0.000 0.000 0.262 416 Q C -0.475 175.506 176.000 -0.032 0.000 1.014 416 Q CA -0.914 54.877 55.803 -0.020 0.000 0.885 416 Q CB 0.898 29.627 28.738 -0.016 0.000 1.311 416 Q HN 0.178 nan 8.270 nan 0.000 0.461 417 N N 1.678 120.356 118.700 -0.036 0.000 2.817 417 N HA 0.263 5.003 4.740 -0.000 0.000 0.234 417 N C -1.083 174.383 175.510 -0.073 0.000 1.066 417 N CA -0.156 52.862 53.050 -0.053 0.000 0.926 417 N CB 0.522 38.983 38.487 -0.043 0.000 1.176 417 N HN 0.385 nan 8.380 nan 0.000 0.506 418 I N 0.815 121.323 120.570 -0.102 0.000 2.474 418 I HA 0.084 4.254 4.170 -0.000 0.000 0.287 418 I C 1.044 177.030 176.117 -0.219 0.000 1.048 418 I CA 0.132 61.343 61.300 -0.148 0.000 1.383 418 I CB 1.249 39.146 38.000 -0.171 0.000 1.412 418 I HN 0.151 nan 8.210 nan 0.000 0.531 419 T N 7.092 121.509 114.554 -0.228 0.000 2.812 419 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 419 T C -0.645 173.850 174.700 -0.343 0.000 0.990 419 T CA -0.715 61.233 62.100 -0.253 0.000 0.960 419 T CB 0.303 69.091 68.868 -0.133 0.000 0.948 419 T HN 0.213 nan 8.240 nan 0.000 0.438 420 I N 6.303 126.605 120.570 -0.447 0.000 2.287 420 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 420 I C 0.154 176.217 176.117 -0.089 0.000 1.069 420 I CA -0.765 60.288 61.300 -0.413 0.000 1.237 420 I CB -0.049 37.638 38.000 -0.522 0.000 1.418 420 I HN 0.730 nan 8.210 nan 0.000 0.481 421 D N 4.467 124.881 120.400 0.024 0.000 2.621 421 D HA 0.564 5.204 4.640 -0.000 0.000 0.255 421 D C 1.049 177.434 176.300 0.142 0.000 1.122 421 D CA -0.681 53.369 54.000 0.084 0.000 1.096 421 D CB 0.730 41.565 40.800 0.060 0.000 1.282 421 D HN 0.265 nan 8.370 nan 0.000 0.619 422 A N -0.035 122.852 122.820 0.112 0.000 1.917 422 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 422 A C 1.505 179.162 177.584 0.121 0.000 1.182 422 A CA 2.335 54.438 52.037 0.109 0.000 0.633 422 A CB -1.159 17.886 19.000 0.074 0.000 0.819 422 A HN 0.630 nan 8.150 nan 0.000 0.448 423 D N -1.859 118.610 120.400 0.116 0.000 2.087 423 D HA -0.190 4.449 4.640 -0.000 0.000 0.192 423 D C 1.733 178.118 176.300 0.142 0.000 0.993 423 D CA 1.796 55.858 54.000 0.104 0.000 0.828 423 D CB -0.482 40.375 40.800 0.094 0.000 0.968 423 D HN 0.583 nan 8.370 nan 0.000 0.448 424 Y N 1.317 121.669 120.300 0.086 0.000 2.081 424 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 424 Y C 2.264 178.301 175.900 0.229 0.000 1.163 424 Y CA 1.352 59.553 58.100 0.167 0.000 1.135 424 Y CB -0.575 37.958 38.460 0.120 0.000 0.970 424 Y HN -0.162 nan 8.280 nan 0.000 0.498 425 V N -0.530 119.623 119.914 0.400 0.000 2.231 425 V HA -0.404 3.716 4.120 -0.000 0.000 0.250 425 V C 2.423 178.616 176.094 0.165 0.000 1.058 425 V CA 2.380 64.850 62.300 0.284 0.000 1.022 425 V CB -1.254 30.698 31.823 0.214 0.000 0.640 425 V HN 0.441 nan 8.190 nan 0.000 0.445 426 S N -0.935 114.832 115.700 0.111 0.000 2.383 426 S HA -0.270 4.200 4.470 -0.000 0.000 0.229 426 S C 2.002 176.602 174.600 0.001 0.000 1.030 426 S CA 1.890 60.123 58.200 0.055 0.000 1.002 426 S CB -0.363 62.863 63.200 0.043 0.000 0.829 426 S HN 0.615 nan 8.310 nan 0.000 0.467 427 K N 0.154 120.524 120.400 -0.050 0.000 2.217 427 K HA -0.084 4.236 4.320 -0.000 0.000 0.202 427 K C 1.525 177.933 176.600 -0.321 0.000 1.051 427 K CA 1.060 57.226 56.287 -0.202 0.000 0.952 427 K CB -0.030 32.288 32.500 -0.303 0.000 0.736 427 K HN 0.468 nan 8.250 nan 0.000 0.453 428 H N -0.904 118.081 119.070 -0.141 0.000 2.654 428 H HA 0.118 4.674 4.556 -0.000 0.000 0.264 428 H C 1.550 176.859 175.328 -0.032 0.000 0.954 428 H CA 0.551 56.529 56.048 -0.116 0.000 1.199 428 H CB 0.732 30.398 29.762 -0.160 0.000 1.446 428 H HN 0.163 nan 8.280 nan 0.000 0.516 429 L N -0.544 120.736 121.223 0.094 0.000 2.624 429 L HA 0.053 4.393 4.340 -0.000 0.000 0.222 429 L C 1.757 178.657 176.870 0.050 0.000 1.046 429 L CA 0.045 54.932 54.840 0.079 0.000 0.872 429 L CB 0.224 42.340 42.059 0.095 0.000 1.190 429 L HN -0.110 nan 8.230 nan 0.000 0.487 430 D N 1.519 121.942 120.400 0.037 0.000 2.160 430 D HA -0.270 4.370 4.640 -0.000 0.000 0.189 430 D C 2.158 178.470 176.300 0.019 0.000 1.003 430 D CA 2.026 56.043 54.000 0.027 0.000 0.846 430 D CB -0.116 40.693 40.800 0.014 0.000 0.949 430 D HN 0.321 nan 8.370 nan 0.000 0.446 431 A N 0.088 122.910 122.820 0.003 0.000 1.865 431 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 431 A C 2.234 179.825 177.584 0.012 0.000 1.191 431 A CA 1.491 53.528 52.037 -0.001 0.000 0.623 431 A CB -0.817 18.173 19.000 -0.017 0.000 0.826 431 A HN 0.182 nan 8.150 nan 0.000 0.444 432 L N -0.435 120.800 121.223 0.020 0.000 2.017 432 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 432 L C 2.569 179.463 176.870 0.040 0.000 1.073 432 L CA 1.579 56.438 54.840 0.032 0.000 0.745 432 L CB -1.065 41.020 42.059 0.043 0.000 0.894 432 L HN 0.199 nan 8.230 nan 0.000 0.432 433 V N -0.073 119.868 119.914 0.045 0.000 2.287 433 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 433 V C 2.731 178.850 176.094 0.043 0.000 1.053 433 V CA 1.777 64.108 62.300 0.051 0.000 1.027 433 V CB -1.289 30.571 31.823 0.061 0.000 0.646 433 V HN 0.512 nan 8.190 nan 0.000 0.447 434 A N -0.407 122.434 122.820 0.035 0.000 1.933 434 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 434 A C 1.437 179.036 177.584 0.025 0.000 1.175 434 A CA 1.456 53.510 52.037 0.029 0.000 0.628 434 A CB -0.440 18.572 19.000 0.021 0.000 0.814 434 A HN 0.529 nan 8.150 nan 0.000 0.444 435 D N -0.026 120.389 120.400 0.024 0.000 2.402 435 D HA 0.210 4.850 4.640 -0.000 0.000 0.235 435 D C 0.959 177.279 176.300 0.034 0.000 1.226 435 D CA -0.027 53.986 54.000 0.022 0.000 0.918 435 D CB 0.328 41.136 40.800 0.013 0.000 1.043 435 D HN 0.450 nan 8.370 nan 0.000 0.506 436 E N 2.143 122.363 120.200 0.034 0.000 2.021 436 E HA -0.259 4.091 4.350 -0.000 0.000 0.200 436 E C 1.112 177.752 176.600 0.066 0.000 1.015 436 E CA 1.474 57.900 56.400 0.043 0.000 0.824 436 E CB 0.066 29.787 29.700 0.034 0.000 0.762 436 E HN 0.586 nan 8.360 nan 0.000 0.454 437 D N 0.512 120.952 120.400 0.066 0.000 2.172 437 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 437 D C 1.978 178.377 176.300 0.165 0.000 0.999 437 D CA 0.901 54.967 54.000 0.110 0.000 0.856 437 D CB -0.126 40.714 40.800 0.065 0.000 0.934 437 D HN 0.093 nan 8.370 nan 0.000 0.453 438 L N -0.389 120.886 121.223 0.087 0.000 2.141 438 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 438 L C 2.213 179.175 176.870 0.152 0.000 1.094 438 L CA 0.889 55.780 54.840 0.085 0.000 0.763 438 L CB -0.189 41.886 42.059 0.026 0.000 0.908 438 L HN 0.057 nan 8.230 nan 0.000 0.437 439 S N -0.323 115.447 115.700 0.117 0.000 2.402 439 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 439 S C 1.781 176.443 174.600 0.103 0.000 1.021 439 S CA 0.929 59.186 58.200 0.096 0.000 0.974 439 S CB -0.132 63.106 63.200 0.063 0.000 0.800 439 S HN 0.439 nan 8.310 nan 0.000 0.484 440 R N -0.856 119.725 120.500 0.135 0.000 2.316 440 R HA 0.089 4.429 4.340 -0.000 0.000 0.202 440 R C 1.016 177.294 176.300 -0.037 0.000 1.029 440 R CA 0.736 56.868 56.100 0.053 0.000 1.018 440 R CB -0.095 30.237 30.300 0.054 0.000 0.888 440 R HN 0.404 nan 8.270 nan 0.000 0.471 441 F N -1.062 118.892 119.950 0.006 0.000 2.532 441 F HA 0.133 4.660 4.527 -0.000 0.000 0.278 441 F C 1.788 177.595 175.800 0.012 0.000 0.975 441 F CA 0.081 58.085 58.000 0.008 0.000 1.292 441 F CB 0.320 39.324 39.000 0.007 0.000 1.112 441 F HN -0.166 nan 8.300 nan 0.000 0.703 442 I N 0.332 121.037 120.570 0.225 0.000 3.860 442 I HA 0.182 4.352 4.170 -0.000 0.000 0.319 442 I C 0.204 176.374 176.117 0.088 0.000 1.279 442 I CA 0.843 62.223 61.300 0.133 0.000 1.220 442 I CB -0.838 37.228 38.000 0.111 0.000 1.027 442 I HN 0.000 nan 8.210 nan 0.000 0.428 443 L N 0.000 121.268 121.223 0.075 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.872 54.840 0.054 0.000 0.813 443 L CB 0.000 42.092 42.059 0.055 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502