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 1ht2_1_F 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 0.000 175.339 175.328 0.018 0.000 0.993 1 H CA 0.000 56.032 56.048 -0.027 0.000 1.023 1 H CB 0.000 29.618 29.762 -0.239 0.000 1.292 2 S N 2.058 117.818 115.700 0.100 0.000 2.558 2 S HA -0.051 4.419 4.470 -0.000 0.000 0.287 2 S C 0.446 175.007 174.600 -0.064 0.000 1.321 2 S CA 0.328 58.528 58.200 -0.001 0.000 1.048 2 S CB 0.753 63.932 63.200 -0.035 0.000 0.844 2 S HN 0.493 nan 8.310 nan 0.000 0.512 3 E N 1.701 121.814 120.200 -0.145 0.000 2.451 3 E HA 0.186 4.536 4.350 -0.000 0.000 0.194 3 E C -0.118 176.226 176.600 -0.426 0.000 1.027 3 E CA -0.174 56.002 56.400 -0.374 0.000 0.914 3 E CB 0.059 29.641 29.700 -0.197 0.000 1.054 3 E HN 0.653 nan 8.360 nan 0.000 0.461 4 M N 2.167 121.604 119.600 -0.272 0.000 2.245 4 M HA 0.031 4.511 4.480 -0.000 0.000 0.344 4 M C 0.655 176.799 176.300 -0.259 0.000 1.170 4 M CA 0.303 55.474 55.300 -0.216 0.000 1.135 4 M CB 0.594 33.118 32.600 -0.127 0.000 1.574 4 M HN 0.056 nan 8.290 nan 0.000 0.452 5 T N 0.555 114.982 114.554 -0.212 0.000 2.849 5 T HA 0.264 4.614 4.350 -0.000 0.000 0.284 5 T C -2.141 172.496 174.700 -0.104 0.000 1.004 5 T CA -1.692 60.299 62.100 -0.181 0.000 1.021 5 T CB 0.652 69.438 68.868 -0.136 0.000 1.013 5 T HN 0.390 nan 8.240 nan 0.000 0.527 6 P HA -0.126 nan 4.420 nan 0.000 0.216 6 P C 1.748 179.031 177.300 -0.028 0.000 1.157 6 P CA 1.070 64.151 63.100 -0.030 0.000 0.880 6 P CB 0.041 31.736 31.700 -0.008 0.000 0.791 7 R N -0.068 120.414 120.500 -0.030 0.000 2.105 7 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 7 R C 2.118 178.400 176.300 -0.031 0.000 1.135 7 R CA 1.714 57.799 56.100 -0.025 0.000 0.967 7 R CB -0.357 29.928 30.300 -0.025 0.000 0.861 7 R HN 0.256 nan 8.270 nan 0.000 0.442 8 E N -0.225 119.947 120.200 -0.046 0.000 2.152 8 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 8 E C 1.906 178.482 176.600 -0.040 0.000 0.983 8 E CA 0.687 57.059 56.400 -0.047 0.000 0.818 8 E CB 0.129 29.789 29.700 -0.067 0.000 0.758 8 E HN 0.276 nan 8.360 nan 0.000 0.467 9 I N 0.628 121.174 120.570 -0.041 0.000 2.163 9 I HA -0.210 3.960 4.170 -0.000 0.000 0.240 9 I C 2.340 178.449 176.117 -0.013 0.000 1.081 9 I CA 1.048 62.331 61.300 -0.028 0.000 1.353 9 I CB -1.018 36.967 38.000 -0.025 0.000 1.054 9 I HN 0.032 nan 8.210 nan 0.000 0.407 10 V N 0.320 120.228 119.914 -0.010 0.000 2.332 10 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 10 V C 2.763 178.855 176.094 -0.004 0.000 1.055 10 V CA 2.030 64.329 62.300 -0.002 0.000 1.038 10 V CB -0.811 31.012 31.823 0.000 0.000 0.651 10 V HN 0.399 nan 8.190 nan 0.000 0.450 11 S N -0.305 115.387 115.700 -0.012 0.000 2.353 11 S HA -0.283 4.187 4.470 -0.000 0.000 0.222 11 S C 2.104 176.694 174.600 -0.016 0.000 1.035 11 S CA 2.079 60.269 58.200 -0.017 0.000 1.025 11 S CB -0.307 62.879 63.200 -0.022 0.000 0.902 11 S HN 0.686 nan 8.310 nan 0.000 0.440 12 E N 0.480 120.674 120.200 -0.011 0.000 2.160 12 E HA -0.088 4.262 4.350 -0.000 0.000 0.195 12 E C 1.706 178.328 176.600 0.037 0.000 0.991 12 E CA 0.899 57.301 56.400 0.004 0.000 0.810 12 E CB -0.416 29.286 29.700 0.003 0.000 0.742 12 E HN 0.379 nan 8.360 nan 0.000 0.466 13 L N 0.771 122.012 121.223 0.031 0.000 2.313 13 L HA -0.020 4.320 4.340 -0.000 0.000 0.214 13 L C 1.191 178.085 176.870 0.039 0.000 1.119 13 L CA 1.345 56.217 54.840 0.053 0.000 0.809 13 L CB -0.379 41.695 42.059 0.025 0.000 0.933 13 L HN 0.069 nan 8.230 nan 0.000 0.449 14 D N -0.521 119.880 120.400 0.002 0.000 2.348 14 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 14 D C 1.826 178.088 176.300 -0.064 0.000 0.970 14 D CA 0.623 54.613 54.000 -0.018 0.000 0.889 14 D CB 0.163 40.951 40.800 -0.020 0.000 0.912 14 D HN 0.307 nan 8.370 nan 0.000 0.524 15 K N -0.499 119.829 120.400 -0.121 0.000 2.432 15 K HA 0.002 4.322 4.320 -0.000 0.000 0.196 15 K C 1.076 177.343 176.600 -0.556 0.000 1.038 15 K CA 0.652 56.753 56.287 -0.310 0.000 0.986 15 K CB 0.355 32.634 32.500 -0.368 0.000 0.782 15 K HN 0.308 nan 8.250 nan 0.000 0.485 16 H N -1.200 117.854 119.070 -0.026 0.000 3.400 16 H HA 0.233 4.789 4.556 -0.000 0.000 0.251 16 H C -0.150 175.166 175.328 -0.020 0.000 1.040 16 H CA 0.023 56.053 56.048 -0.029 0.000 1.175 16 H CB 1.001 30.736 29.762 -0.044 0.000 1.487 16 H HN -0.053 nan 8.280 nan 0.000 0.505 17 I N 2.486 123.101 120.570 0.075 0.000 2.436 17 I HA 0.172 4.342 4.170 -0.000 0.000 0.289 17 I C -0.328 175.810 176.117 0.034 0.000 1.010 17 I CA -0.506 60.826 61.300 0.053 0.000 1.098 17 I CB 2.348 40.377 38.000 0.048 0.000 1.266 17 I HN -0.106 nan 8.210 nan 0.000 0.434 18 I N 5.406 126.001 120.570 0.041 0.000 2.395 18 I HA 0.508 4.678 4.170 -0.000 0.000 0.289 18 I C 1.125 177.271 176.117 0.049 0.000 1.023 18 I CA 0.324 61.648 61.300 0.040 0.000 1.350 18 I CB 0.079 38.110 38.000 0.052 0.000 1.409 18 I HN 0.860 nan 8.210 nan 0.000 0.507 19 G N 6.383 115.206 108.800 0.039 0.000 2.569 19 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.259 19 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.259 19 G C -0.054 174.871 174.900 0.042 0.000 1.263 19 G CA -0.041 45.083 45.100 0.041 0.000 0.928 19 G HN 0.663 nan 8.290 nan 0.000 0.572 20 Q N -1.184 118.645 119.800 0.048 0.000 2.434 20 Q HA -0.244 4.096 4.340 -0.000 0.000 0.299 20 Q C 0.860 176.885 176.000 0.042 0.000 1.286 20 Q CA 1.845 57.678 55.803 0.050 0.000 0.872 20 Q CB -1.844 26.929 28.738 0.058 0.000 1.193 20 Q HN 0.975 nan 8.270 nan 0.000 0.466 21 D N 0.617 121.038 120.400 0.034 0.000 2.123 21 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 21 D C 1.428 177.747 176.300 0.031 0.000 0.992 21 D CA 2.054 56.071 54.000 0.028 0.000 0.833 21 D CB 0.010 40.823 40.800 0.022 0.000 0.954 21 D HN 0.586 nan 8.370 nan 0.000 0.455 22 N N -0.570 118.150 118.700 0.034 0.000 2.104 22 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 22 N C 1.802 177.338 175.510 0.044 0.000 1.024 22 N CA 0.947 54.019 53.050 0.036 0.000 0.853 22 N CB -0.153 38.356 38.487 0.037 0.000 1.008 22 N HN 0.212 nan 8.380 nan 0.000 0.424 23 A N 1.629 124.480 122.820 0.052 0.000 1.933 23 A HA -0.147 4.173 4.320 -0.000 0.000 0.218 23 A C 2.006 179.624 177.584 0.057 0.000 1.175 23 A CA 1.234 53.310 52.037 0.064 0.000 0.628 23 A CB -0.239 18.806 19.000 0.076 0.000 0.814 23 A HN 0.199 nan 8.150 nan 0.000 0.444 24 K N -0.416 120.011 120.400 0.044 0.000 2.009 24 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 24 K C 2.287 178.907 176.600 0.032 0.000 1.049 24 K CA 1.740 58.048 56.287 0.034 0.000 0.929 24 K CB -0.233 32.283 32.500 0.027 0.000 0.714 24 K HN 0.430 nan 8.250 nan 0.000 0.440 25 R N 0.487 121.006 120.500 0.032 0.000 2.081 25 R HA -0.055 4.285 4.340 -0.000 0.000 0.235 25 R C 2.588 178.911 176.300 0.039 0.000 1.131 25 R CA 1.330 57.448 56.100 0.030 0.000 0.960 25 R CB -0.320 29.996 30.300 0.027 0.000 0.856 25 R HN 0.058 nan 8.270 nan 0.000 0.436 26 S N 0.474 116.202 115.700 0.046 0.000 2.353 26 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 26 S C 2.030 176.669 174.600 0.064 0.000 1.035 26 S CA 1.379 59.613 58.200 0.056 0.000 1.025 26 S CB -0.285 62.954 63.200 0.064 0.000 0.902 26 S HN 0.114 nan 8.310 nan 0.000 0.440 27 V N 1.379 121.333 119.914 0.066 0.000 2.515 27 V HA -0.140 3.980 4.120 -0.000 0.000 0.250 27 V C 2.352 178.478 176.094 0.053 0.000 1.058 27 V CA 1.595 63.937 62.300 0.069 0.000 1.064 27 V CB -0.757 31.105 31.823 0.065 0.000 0.675 27 V HN 0.518 nan 8.190 nan 0.000 0.461 28 A N -0.261 122.583 122.820 0.040 0.000 1.929 28 A HA -0.080 4.240 4.320 -0.000 0.000 0.216 28 A C 2.054 179.660 177.584 0.037 0.000 1.176 28 A CA 1.300 53.353 52.037 0.028 0.000 0.628 28 A CB -0.373 18.636 19.000 0.015 0.000 0.816 28 A HN 0.414 nan 8.150 nan 0.000 0.444 29 I N 0.298 120.895 120.570 0.046 0.000 2.264 29 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 29 I C 2.894 179.054 176.117 0.073 0.000 1.111 29 I CA 1.422 62.756 61.300 0.056 0.000 1.382 29 I CB -1.597 36.437 38.000 0.056 0.000 1.060 29 I HN 0.368 nan 8.210 nan 0.000 0.418 30 A N 0.854 123.719 122.820 0.074 0.000 1.877 30 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 30 A C 2.468 180.107 177.584 0.092 0.000 1.186 30 A CA 1.377 53.466 52.037 0.087 0.000 0.620 30 A CB -0.892 18.162 19.000 0.091 0.000 0.822 30 A HN 0.389 nan 8.150 nan 0.000 0.443 31 L N -1.232 120.037 121.223 0.077 0.000 2.017 31 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 31 L C 2.767 179.698 176.870 0.102 0.000 1.073 31 L CA 1.855 56.741 54.840 0.077 0.000 0.745 31 L CB -0.269 41.815 42.059 0.041 0.000 0.894 31 L HN 0.406 nan 8.230 nan 0.000 0.432 32 R N 0.460 121.012 120.500 0.087 0.000 2.152 32 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 32 R C 1.683 178.127 176.300 0.240 0.000 1.117 32 R CA 1.734 57.908 56.100 0.123 0.000 0.981 32 R CB -0.563 29.775 30.300 0.063 0.000 0.870 32 R HN 0.435 nan 8.270 nan 0.000 0.451 33 N N -0.506 118.299 118.700 0.175 0.000 2.216 33 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 33 N C 1.439 177.047 175.510 0.163 0.000 1.017 33 N CA 0.933 54.082 53.050 0.164 0.000 0.861 33 N CB 0.046 38.605 38.487 0.120 0.000 0.986 33 N HN 0.150 nan 8.380 nan 0.000 0.428 34 R N -0.421 120.178 120.500 0.165 0.000 2.105 34 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 34 R C 1.818 178.222 176.300 0.174 0.000 1.135 34 R CA 1.291 57.478 56.100 0.144 0.000 0.967 34 R CB -0.510 29.884 30.300 0.157 0.000 0.861 34 R HN 0.454 nan 8.270 nan 0.000 0.442 35 W N 2.134 123.455 121.300 0.036 0.000 2.380 35 W HA -0.133 4.527 4.660 -0.000 0.000 0.317 35 W C 2.153 178.688 176.519 0.026 0.000 1.196 35 W CA 1.231 58.597 57.345 0.034 0.000 1.307 35 W CB -0.250 29.230 29.460 0.033 0.000 1.157 35 W HN -0.135 nan 8.180 nan 0.000 0.483 36 R N -0.045 120.577 120.500 0.204 0.000 2.154 36 R HA -0.252 4.088 4.340 -0.000 0.000 0.248 36 R C 2.363 178.576 176.300 -0.144 0.000 1.155 36 R CA 2.032 58.103 56.100 -0.047 0.000 0.979 36 R CB -0.623 29.765 30.300 0.146 0.000 0.869 36 R HN 0.288 nan 8.270 nan 0.000 0.452 37 R N 0.333 120.794 120.500 -0.065 0.000 2.062 37 R HA -0.054 4.286 4.340 -0.000 0.000 0.229 37 R C 1.938 178.157 176.300 -0.135 0.000 1.128 37 R CA 1.230 57.285 56.100 -0.075 0.000 0.960 37 R CB 0.031 30.306 30.300 -0.040 0.000 0.855 37 R HN 0.049 nan 8.270 nan 0.000 0.432 38 M N 1.194 120.696 119.600 -0.163 0.000 2.539 38 M HA -0.110 4.370 4.480 -0.000 0.000 0.261 38 M C 1.029 177.197 176.300 -0.220 0.000 1.069 38 M CA 1.251 56.450 55.300 -0.169 0.000 1.081 38 M CB -0.407 32.116 32.600 -0.129 0.000 1.412 38 M HN 0.180 nan 8.290 nan 0.000 0.482 39 Q N 0.303 119.909 119.800 -0.323 0.000 2.280 39 Q HA 0.331 4.671 4.340 -0.000 0.000 0.202 39 Q C 0.664 176.547 176.000 -0.194 0.000 0.903 39 Q CA 0.195 55.801 55.803 -0.328 0.000 0.948 39 Q CB 0.079 28.490 28.738 -0.545 0.000 1.058 39 Q HN 0.470 nan 8.270 nan 0.000 0.493 40 L N 0.633 121.773 121.223 -0.138 0.000 2.421 40 L HA 0.348 4.688 4.340 -0.000 0.000 0.267 40 L C 0.923 177.763 176.870 -0.050 0.000 1.036 40 L CA -1.109 53.683 54.840 -0.080 0.000 0.829 40 L CB 0.665 42.691 42.059 -0.054 0.000 1.437 40 L HN 0.105 nan 8.230 nan 0.000 0.488 41 N N -0.864 117.822 118.700 -0.024 0.000 2.418 41 N HA 0.040 4.780 4.740 -0.000 0.000 0.283 41 N C 0.452 175.975 175.510 0.023 0.000 1.267 41 N CA -0.598 52.448 53.050 -0.007 0.000 0.975 41 N CB 1.057 39.541 38.487 -0.005 0.000 1.167 41 N HN 0.574 nan 8.380 nan 0.000 0.581 42 E N 0.267 120.488 120.200 0.035 0.000 2.012 42 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 42 E C 1.806 178.486 176.600 0.133 0.000 1.007 42 E CA 1.879 58.332 56.400 0.088 0.000 0.816 42 E CB -0.332 29.399 29.700 0.051 0.000 0.762 42 E HN 0.734 nan 8.360 nan 0.000 0.451 43 E N 0.033 120.249 120.200 0.028 0.000 2.021 43 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 43 E C 2.206 178.851 176.600 0.074 0.000 1.015 43 E CA 1.730 58.123 56.400 -0.012 0.000 0.824 43 E CB -0.431 29.249 29.700 -0.032 0.000 0.762 43 E HN 0.361 nan 8.360 nan 0.000 0.454 44 L N 0.314 121.571 121.223 0.056 0.000 2.349 44 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 44 L C 2.759 179.681 176.870 0.087 0.000 1.130 44 L CA 0.892 55.767 54.840 0.059 0.000 0.791 44 L CB -0.328 41.747 42.059 0.027 0.000 0.918 44 L HN 0.169 nan 8.230 nan 0.000 0.444 45 R N -1.288 119.283 120.500 0.118 0.000 2.153 45 R HA -0.076 4.264 4.340 -0.000 0.000 0.218 45 R C 2.095 178.465 176.300 0.117 0.000 1.072 45 R CA 0.743 56.885 56.100 0.071 0.000 0.990 45 R CB -0.111 30.190 30.300 0.002 0.000 0.889 45 R HN 0.427 nan 8.270 nan 0.000 0.452 46 H N 0.421 119.529 119.070 0.064 0.000 2.343 46 H HA 0.005 4.561 4.556 -0.000 0.000 0.303 46 H C 1.988 177.376 175.328 0.099 0.000 1.068 46 H CA 0.922 57.033 56.048 0.104 0.000 1.359 46 H CB 0.092 29.888 29.762 0.056 0.000 1.402 46 H HN 0.042 nan 8.280 nan 0.000 0.515 47 E N 0.792 121.114 120.200 0.205 0.000 2.038 47 E HA -0.076 4.274 4.350 -0.000 0.000 0.195 47 E C 0.601 177.262 176.600 0.102 0.000 1.000 47 E CA 0.510 56.979 56.400 0.115 0.000 0.803 47 E CB -0.681 29.064 29.700 0.075 0.000 0.750 47 E HN 0.124 nan 8.360 nan 0.000 0.448 48 V N 3.513 123.494 119.914 0.111 0.000 2.493 48 V HA -0.006 4.114 4.120 -0.000 0.000 0.292 48 V C 0.601 176.786 176.094 0.152 0.000 1.016 48 V CA 0.471 62.834 62.300 0.105 0.000 1.097 48 V CB 0.125 31.999 31.823 0.084 0.000 0.947 48 V HN 0.271 nan 8.190 nan 0.000 0.479 49 T N 4.282 118.898 114.554 0.102 0.000 2.942 49 T HA 0.635 4.985 4.350 -0.000 0.000 0.289 49 T C -2.732 172.032 174.700 0.107 0.000 1.044 49 T CA -2.295 59.855 62.100 0.084 0.000 1.023 49 T CB 1.703 70.575 68.868 0.006 0.000 1.123 49 T HN 0.392 nan 8.240 nan 0.000 0.512 50 P HA 0.170 nan 4.420 nan 0.000 0.267 50 P C -0.504 176.862 177.300 0.109 0.000 1.200 50 P CA -0.398 62.779 63.100 0.129 0.000 0.772 50 P CB 0.309 32.097 31.700 0.146 0.000 0.855 51 K N 2.976 123.438 120.400 0.103 0.000 2.184 51 K HA 0.230 4.550 4.320 -0.000 0.000 0.259 51 K C -0.139 176.523 176.600 0.104 0.000 1.119 51 K CA -0.342 55.998 56.287 0.088 0.000 0.991 51 K CB -0.470 32.076 32.500 0.077 0.000 1.522 51 K HN 0.358 nan 8.250 nan 0.000 0.405 52 N N 2.148 120.919 118.700 0.118 0.000 2.395 52 N HA 0.086 4.826 4.740 -0.000 0.000 0.246 52 N C 0.319 175.897 175.510 0.112 0.000 1.246 52 N CA 0.317 53.456 53.050 0.148 0.000 0.879 52 N CB 0.824 39.412 38.487 0.169 0.000 1.098 52 N HN 0.356 nan 8.380 nan 0.000 0.444 53 I N 1.105 121.753 120.570 0.130 0.000 2.562 53 I HA 0.286 4.456 4.170 -0.000 0.000 0.301 53 I C -0.399 175.780 176.117 0.104 0.000 1.003 53 I CA -0.988 60.378 61.300 0.110 0.000 1.127 53 I CB 1.787 39.863 38.000 0.126 0.000 1.304 53 I HN 0.158 nan 8.210 nan 0.000 0.446 54 L N 6.449 127.721 121.223 0.082 0.000 2.324 54 L HA 0.481 4.821 4.340 -0.000 0.000 0.274 54 L C -0.586 176.347 176.870 0.104 0.000 1.012 54 L CA -0.142 54.748 54.840 0.083 0.000 0.859 54 L CB 0.889 42.973 42.059 0.042 0.000 1.224 54 L HN 0.512 nan 8.230 nan 0.000 0.429 55 M N 5.927 125.612 119.600 0.141 0.000 2.162 55 M HA 0.381 4.861 4.480 -0.000 0.000 0.356 55 M C -0.745 175.669 176.300 0.190 0.000 1.303 55 M CA 0.190 55.588 55.300 0.163 0.000 1.116 55 M CB 0.787 33.516 32.600 0.215 0.000 1.632 55 M HN 0.441 nan 8.290 nan 0.000 0.469 56 I N 2.798 123.469 120.570 0.168 0.000 2.382 56 I HA 0.766 4.936 4.170 -0.000 0.000 0.286 56 I C 0.275 176.492 176.117 0.167 0.000 1.002 56 I CA -0.452 60.978 61.300 0.216 0.000 1.135 56 I CB 1.637 39.730 38.000 0.153 0.000 1.288 56 I HN 0.828 nan 8.210 nan 0.000 0.448 57 G N 6.615 115.514 108.800 0.165 0.000 2.368 57 G HA2 0.421 4.381 3.960 -0.000 0.000 0.293 57 G HA3 0.421 4.381 3.960 -0.000 0.000 0.293 57 G C -3.357 171.598 174.900 0.093 0.000 1.467 57 G CA -0.722 44.450 45.100 0.119 0.000 0.804 57 G HN 0.277 nan 8.290 nan 0.000 0.535 58 P HA 0.268 nan 4.420 nan 0.000 0.274 58 P C 0.587 177.920 177.300 0.055 0.000 1.237 58 P CA 0.067 63.197 63.100 0.050 0.000 0.793 58 P CB 0.389 32.113 31.700 0.039 0.000 0.977 59 T N -1.113 113.464 114.554 0.038 0.000 2.906 59 T HA 0.175 4.525 4.350 -0.000 0.000 0.329 59 T C 1.321 176.053 174.700 0.054 0.000 1.091 59 T CA 0.690 62.816 62.100 0.043 0.000 1.127 59 T CB -1.009 67.872 68.868 0.022 0.000 1.035 59 T HN 0.840 nan 8.240 nan 0.000 0.547 60 G N 0.609 109.443 108.800 0.057 0.000 2.421 60 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.300 60 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.300 60 G C 0.566 175.508 174.900 0.071 0.000 0.974 60 G CA 0.439 45.571 45.100 0.053 0.000 1.062 60 G HN 1.725 nan 8.290 nan 0.000 0.514 61 V N -3.702 116.262 119.914 0.084 0.000 3.528 61 V HA 0.703 4.823 4.120 -0.000 0.000 0.294 61 V C 1.561 177.706 176.094 0.086 0.000 1.404 61 V CA 0.889 63.249 62.300 0.099 0.000 1.065 61 V CB 0.259 32.142 31.823 0.102 0.000 0.904 61 V HN 2.043 nan 8.190 nan 0.000 0.435 62 G N 0.499 109.343 108.800 0.072 0.000 2.198 62 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.156 62 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.156 62 G C 0.663 175.591 174.900 0.048 0.000 1.012 62 G CA 0.224 45.355 45.100 0.052 0.000 0.692 62 G HN 0.395 nan 8.290 nan 0.000 0.492 63 K N 0.083 120.535 120.400 0.087 0.000 1.973 63 K HA -0.072 4.248 4.320 -0.000 0.000 0.212 63 K C 2.534 179.123 176.600 -0.017 0.000 1.047 63 K CA 2.009 58.382 56.287 0.143 0.000 0.937 63 K CB -0.471 32.197 32.500 0.280 0.000 0.721 63 K HN 0.287 nan 8.250 nan 0.000 0.440 64 T N 1.645 116.110 114.554 -0.148 0.000 2.746 64 T HA -0.119 4.231 4.350 -0.000 0.000 0.267 64 T C 1.744 176.244 174.700 -0.333 0.000 1.039 64 T CA 1.083 62.862 62.100 -0.535 0.000 1.142 64 T CB -0.150 68.525 68.868 -0.321 0.000 0.866 64 T HN 0.181 nan 8.240 nan 0.000 0.444 65 E N 0.935 121.037 120.200 -0.163 0.000 2.070 65 E HA -0.096 4.254 4.350 -0.000 0.000 0.197 65 E C 2.238 178.746 176.600 -0.153 0.000 1.004 65 E CA 0.956 57.274 56.400 -0.136 0.000 0.805 65 E CB -0.467 29.202 29.700 -0.051 0.000 0.744 65 E HN 0.513 nan 8.360 nan 0.000 0.451 66 I N 0.695 121.206 120.570 -0.099 0.000 2.163 66 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 66 I C 2.406 178.447 176.117 -0.127 0.000 1.085 66 I CA 1.337 62.596 61.300 -0.070 0.000 1.347 66 I CB -0.329 37.669 38.000 -0.003 0.000 1.044 66 I HN 0.028 nan 8.210 nan 0.000 0.408 67 A N 0.151 122.864 122.820 -0.178 0.000 2.015 67 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 67 A C 2.376 179.649 177.584 -0.518 0.000 1.163 67 A CA 1.377 53.296 52.037 -0.197 0.000 0.646 67 A CB -0.497 18.426 19.000 -0.127 0.000 0.806 67 A HN 0.317 nan 8.150 nan 0.000 0.448 68 R N -0.974 119.150 120.500 -0.626 0.000 2.075 68 R HA 0.006 4.346 4.340 -0.000 0.000 0.226 68 R C 2.202 178.168 176.300 -0.556 0.000 1.114 68 R CA 0.735 56.312 56.100 -0.870 0.000 0.972 68 R CB -0.065 29.908 30.300 -0.545 0.000 0.869 68 R HN 0.272 nan 8.270 nan 0.000 0.437 69 R N 0.539 120.823 120.500 -0.361 0.000 2.115 69 R HA -0.064 4.276 4.340 -0.000 0.000 0.226 69 R C 2.134 178.307 176.300 -0.213 0.000 1.100 69 R CA 0.603 56.535 56.100 -0.280 0.000 0.980 69 R CB -0.704 29.476 30.300 -0.200 0.000 0.875 69 R HN 0.310 nan 8.270 nan 0.000 0.445 70 L N 0.639 121.744 121.223 -0.197 0.000 1.994 70 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 70 L C 2.156 178.945 176.870 -0.136 0.000 1.071 70 L CA 1.865 56.633 54.840 -0.121 0.000 0.745 70 L CB -0.745 41.270 42.059 -0.074 0.000 0.892 70 L HN 0.128 nan 8.230 nan 0.000 0.431 71 A N 0.106 122.787 122.820 -0.232 0.000 1.865 71 A HA -0.313 4.007 4.320 -0.000 0.000 0.217 71 A C 2.369 179.866 177.584 -0.146 0.000 1.191 71 A CA 2.246 54.172 52.037 -0.184 0.000 0.623 71 A CB -0.680 18.090 19.000 -0.384 0.000 0.826 71 A HN 0.449 nan 8.150 nan 0.000 0.444 72 K N -0.942 119.331 120.400 -0.212 0.000 2.103 72 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 72 K C 1.708 178.245 176.600 -0.106 0.000 1.048 72 K CA 1.589 57.783 56.287 -0.155 0.000 0.930 72 K CB -0.261 32.115 32.500 -0.208 0.000 0.716 72 K HN 0.361 nan 8.250 nan 0.000 0.444 73 L N -0.197 120.965 121.223 -0.103 0.000 2.552 73 L HA 0.079 4.419 4.340 -0.000 0.000 0.227 73 L C 1.135 177.976 176.870 -0.048 0.000 1.146 73 L CA 1.156 55.957 54.840 -0.065 0.000 0.858 73 L CB 0.185 42.212 42.059 -0.054 0.000 0.969 73 L HN 0.163 nan 8.230 nan 0.000 0.451 74 A N -1.151 121.641 122.820 -0.047 0.000 2.589 74 A HA 0.196 4.516 4.320 -0.000 0.000 0.283 74 A C 0.699 178.266 177.584 -0.027 0.000 1.187 74 A CA -0.191 51.824 52.037 -0.036 0.000 0.957 74 A CB -0.493 18.487 19.000 -0.032 0.000 1.175 74 A HN 0.381 nan 8.150 nan 0.000 0.532 75 N N 0.252 118.940 118.700 -0.021 0.000 2.666 75 N HA -0.198 4.542 4.740 -0.000 0.000 0.274 75 N C -0.079 175.451 175.510 0.033 0.000 1.043 75 N CA 0.808 53.860 53.050 0.003 0.000 0.782 75 N CB -0.707 37.785 38.487 0.009 0.000 0.912 75 N HN 0.789 nan 8.380 nan 0.000 0.556 76 A N 2.065 124.909 122.820 0.039 0.000 2.374 76 A HA 0.753 5.073 4.320 -0.000 0.000 0.317 76 A C -2.516 175.135 177.584 0.111 0.000 1.094 76 A CA -1.349 50.742 52.037 0.090 0.000 0.765 76 A CB 1.386 20.444 19.000 0.096 0.000 1.268 76 A HN 0.201 nan 8.150 nan 0.000 0.438 77 P HA 0.374 nan 4.420 nan 0.000 0.271 77 P C -1.194 176.213 177.300 0.178 0.000 1.216 77 P CA 0.395 63.563 63.100 0.112 0.000 0.771 77 P CB 0.188 31.927 31.700 0.065 0.000 0.864 78 F N 4.766 124.711 119.950 -0.008 0.000 2.556 78 F HA 0.695 5.222 4.527 0.000 0.000 0.314 78 F C -1.229 174.574 175.800 0.005 0.000 1.106 78 F CA -1.073 56.923 58.000 -0.007 0.000 0.911 78 F CB 1.193 40.183 39.000 -0.017 0.000 1.190 78 F HN 0.142 nan 8.300 nan 0.000 0.448 79 I N 5.278 125.423 120.570 -0.708 0.000 2.686 79 I HA 0.438 4.608 4.170 -0.000 0.000 0.295 79 I C -1.833 173.854 176.117 -0.717 0.000 1.114 79 I CA -0.449 60.551 61.300 -0.500 0.000 1.038 79 I CB 1.945 39.813 38.000 -0.219 0.000 1.238 79 I HN 0.624 nan 8.210 nan 0.000 0.420 80 K N 7.698 127.882 120.400 -0.359 0.000 2.559 80 K HA 0.660 4.980 4.320 -0.000 0.000 0.249 80 K C -1.661 174.939 176.600 -0.000 0.000 0.958 80 K CA -0.640 55.578 56.287 -0.115 0.000 0.901 80 K CB 1.262 33.792 32.500 0.049 0.000 1.124 80 K HN 0.541 nan 8.250 nan 0.000 0.437 81 V N 0.421 120.350 119.914 0.024 0.000 2.630 81 V HA 0.531 4.651 4.120 -0.000 0.000 0.305 81 V C -0.355 175.737 176.094 -0.003 0.000 1.046 81 V CA -0.843 61.468 62.300 0.019 0.000 0.934 81 V CB 1.705 33.587 31.823 0.099 0.000 1.003 81 V HN 0.623 nan 8.190 nan 0.000 0.451 82 E N 2.262 122.417 120.200 -0.075 0.000 2.115 82 E HA 0.464 4.814 4.350 -0.000 0.000 0.282 82 E C 1.054 177.566 176.600 -0.147 0.000 0.987 82 E CA 0.048 56.392 56.400 -0.092 0.000 0.797 82 E CB 1.783 31.420 29.700 -0.105 0.000 1.086 82 E HN 0.897 nan 8.360 nan 0.000 0.397 83 A N 3.305 126.084 122.820 -0.069 0.000 1.948 83 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 83 A C 2.061 179.620 177.584 -0.042 0.000 1.177 83 A CA 2.469 54.508 52.037 0.003 0.000 0.636 83 A CB -0.778 18.224 19.000 0.003 0.000 0.815 83 A HN 0.651 nan 8.150 nan 0.000 0.449 84 T N -2.276 112.214 114.554 -0.108 0.000 3.072 84 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 84 T C 1.558 176.137 174.700 -0.202 0.000 1.127 84 T CA 1.346 63.379 62.100 -0.111 0.000 1.107 84 T CB -0.302 68.507 68.868 -0.098 0.000 0.910 84 T HN 0.569 nan 8.240 nan 0.000 0.513 85 K N 0.305 120.468 120.400 -0.394 0.000 2.362 85 K HA -0.081 4.239 4.320 -0.000 0.000 0.202 85 K C 0.594 176.824 176.600 -0.617 0.000 1.045 85 K CA 1.247 57.182 56.287 -0.587 0.000 0.936 85 K CB -0.293 31.674 32.500 -0.887 0.000 0.747 85 K HN 0.518 nan 8.250 nan 0.000 0.467 86 F N -1.040 118.882 119.950 -0.047 0.000 2.706 86 F HA 0.127 4.654 4.527 -0.000 0.000 0.308 86 F C 1.828 177.585 175.800 -0.071 0.000 1.095 86 F CA 0.172 58.142 58.000 -0.051 0.000 1.244 86 F CB -0.102 38.871 39.000 -0.045 0.000 1.063 86 F HN -0.051 nan 8.300 nan 0.000 0.582 87 T N -2.038 112.537 114.554 0.035 0.000 2.977 87 T HA -0.155 4.195 4.350 -0.000 0.000 0.271 87 T C 1.459 176.094 174.700 -0.109 0.000 1.105 87 T CA 1.307 63.386 62.100 -0.034 0.000 1.116 87 T CB -0.207 68.623 68.868 -0.064 0.000 0.878 87 T HN 0.359 nan 8.240 nan 0.000 0.509 88 E N 0.741 120.887 120.200 -0.090 0.000 2.452 88 E HA 0.071 4.421 4.350 -0.000 0.000 0.197 88 E C 2.113 178.668 176.600 -0.075 0.000 1.022 88 E CA 0.180 56.498 56.400 -0.136 0.000 0.890 88 E CB 0.294 29.951 29.700 -0.072 0.000 0.918 88 E HN 0.560 nan 8.360 nan 0.000 0.496 89 V N -2.022 117.893 119.914 0.002 0.000 3.383 89 V HA 0.018 4.138 4.120 -0.000 0.000 0.272 89 V C 1.753 177.870 176.094 0.037 0.000 1.181 89 V CA 1.563 63.894 62.300 0.051 0.000 1.171 89 V CB -0.737 31.145 31.823 0.098 0.000 0.800 89 V HN 0.160 nan 8.190 nan 0.000 0.515 90 G N -1.219 107.559 108.800 -0.037 0.000 2.650 90 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.214 90 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.214 90 G C 1.217 176.275 174.900 0.264 0.000 1.136 90 G CA 0.755 45.862 45.100 0.012 0.000 0.789 90 G HN 0.673 nan 8.290 nan 0.000 0.536 91 Y N -0.994 119.316 120.300 0.017 0.000 2.430 91 Y HA 0.351 4.901 4.550 0.000 0.000 0.254 91 Y C 0.502 176.411 175.900 0.014 0.000 1.088 91 Y CA -0.045 58.062 58.100 0.012 0.000 1.267 91 Y CB 1.359 39.824 38.460 0.009 0.000 1.204 91 Y HN 0.139 nan 8.280 nan 0.000 0.515 92 V N -2.834 117.182 119.914 0.170 0.000 2.303 92 V HA 0.497 4.617 4.120 -0.000 0.000 0.318 92 V C -0.707 175.438 176.094 0.084 0.000 1.769 92 V CA -1.200 61.162 62.300 0.103 0.000 0.794 92 V CB 0.102 31.976 31.823 0.085 0.000 1.214 92 V HN 0.449 nan 8.190 nan 0.000 0.262 93 G N 0.533 109.378 108.800 0.074 0.000 2.362 93 G HA2 0.536 4.496 3.960 -0.000 0.000 0.288 93 G HA3 0.536 4.496 3.960 -0.000 0.000 0.288 93 G C -1.328 173.636 174.900 0.106 0.000 1.305 93 G CA -0.295 44.851 45.100 0.076 0.000 0.910 93 G HN 1.603 nan 8.290 nan 0.000 0.518 94 K N 1.000 121.487 120.400 0.146 0.000 2.401 94 K HA 0.496 4.816 4.320 -0.000 0.000 0.278 94 K C 0.264 177.031 176.600 0.279 0.000 1.018 94 K CA 0.002 56.416 56.287 0.211 0.000 0.981 94 K CB 0.414 33.060 32.500 0.244 0.000 0.933 94 K HN 0.500 nan 8.250 nan 0.000 0.477 95 E N 1.897 122.171 120.200 0.123 0.000 2.349 95 E HA 0.053 4.403 4.350 -0.000 0.000 0.265 95 E C 0.732 177.239 176.600 -0.156 0.000 1.064 95 E CA -0.405 55.986 56.400 -0.014 0.000 0.886 95 E CB 0.602 30.287 29.700 -0.024 0.000 1.036 95 E HN 0.232 nan 8.360 nan 0.000 0.413 96 V N 1.706 121.342 119.914 -0.464 0.000 2.720 96 V HA -0.235 3.885 4.120 -0.000 0.000 0.256 96 V C 0.947 176.879 176.094 -0.270 0.000 1.082 96 V CA 1.726 63.601 62.300 -0.708 0.000 1.101 96 V CB -0.591 30.813 31.823 -0.699 0.000 0.693 96 V HN 0.623 nan 8.190 nan 0.000 0.479 97 D N 0.874 121.187 120.400 -0.145 0.000 2.218 97 D HA -0.146 4.494 4.640 -0.000 0.000 0.204 97 D C 2.391 178.681 176.300 -0.018 0.000 0.976 97 D CA 1.626 55.588 54.000 -0.063 0.000 0.853 97 D CB -0.238 40.537 40.800 -0.042 0.000 0.939 97 D HN 0.655 nan 8.370 nan 0.000 0.481 98 S N 1.112 116.819 115.700 0.011 0.000 2.392 98 S HA -0.220 4.250 4.470 -0.000 0.000 0.232 98 S C 2.218 176.850 174.600 0.054 0.000 1.041 98 S CA 0.719 58.951 58.200 0.054 0.000 1.026 98 S CB -0.820 62.453 63.200 0.121 0.000 0.845 98 S HN 0.298 nan 8.310 nan 0.000 0.465 99 I N 1.525 122.139 120.570 0.073 0.000 2.091 99 I HA -0.192 3.978 4.170 -0.000 0.000 0.239 99 I C 2.261 178.392 176.117 0.023 0.000 1.061 99 I CA 1.467 62.811 61.300 0.073 0.000 1.317 99 I CB -0.524 37.535 38.000 0.098 0.000 1.031 99 I HN 0.300 nan 8.210 nan 0.000 0.401 100 I N 0.459 121.039 120.570 0.017 0.000 2.493 100 I HA -0.182 3.988 4.170 -0.000 0.000 0.254 100 I C 2.563 178.663 176.117 -0.027 0.000 1.160 100 I CA 1.340 62.638 61.300 -0.003 0.000 1.445 100 I CB -1.387 36.618 38.000 0.009 0.000 1.086 100 I HN 0.277 nan 8.210 nan 0.000 0.433 101 R N 0.872 121.358 120.500 -0.024 0.000 2.061 101 R HA -0.145 4.195 4.340 -0.000 0.000 0.230 101 R C 1.933 178.190 176.300 -0.072 0.000 1.140 101 R CA 1.636 57.707 56.100 -0.049 0.000 0.940 101 R CB -0.316 29.971 30.300 -0.022 0.000 0.839 101 R HN 0.306 nan 8.270 nan 0.000 0.429 102 D N 1.185 121.563 120.400 -0.037 0.000 2.123 102 D HA -0.189 4.451 4.640 -0.000 0.000 0.196 102 D C 1.719 177.989 176.300 -0.050 0.000 0.992 102 D CA 0.787 54.765 54.000 -0.037 0.000 0.833 102 D CB -0.337 40.456 40.800 -0.011 0.000 0.954 102 D HN 0.093 nan 8.370 nan 0.000 0.455 103 L N 0.581 121.774 121.223 -0.050 0.000 2.549 103 L HA -0.097 4.243 4.340 -0.000 0.000 0.230 103 L C 1.382 178.219 176.870 -0.055 0.000 1.162 103 L CA 1.282 56.089 54.840 -0.054 0.000 0.834 103 L CB -0.252 41.769 42.059 -0.064 0.000 0.947 103 L HN 0.034 nan 8.230 nan 0.000 0.452 104 T N -1.305 113.197 114.554 -0.087 0.000 3.046 104 T HA -0.019 4.331 4.350 -0.000 0.000 0.242 104 T C 1.256 175.843 174.700 -0.188 0.000 1.018 104 T CA 0.352 62.372 62.100 -0.134 0.000 1.131 104 T CB 0.298 69.058 68.868 -0.180 0.000 0.904 104 T HN 0.216 nan 8.240 nan 0.000 0.459 105 D N 1.713 121.993 120.400 -0.200 0.000 2.218 105 D HA 0.055 4.695 4.640 -0.000 0.000 0.204 105 D C 1.854 178.129 176.300 -0.042 0.000 0.976 105 D CA 0.776 54.685 54.000 -0.153 0.000 0.853 105 D CB -0.029 40.716 40.800 -0.091 0.000 0.939 105 D HN 0.416 nan 8.370 nan 0.000 0.481 106 A N 0.065 122.867 122.820 -0.030 0.000 2.169 106 A HA 0.362 4.682 4.320 -0.000 0.000 0.210 106 A C 2.022 179.616 177.584 0.018 0.000 1.168 106 A CA 0.792 52.832 52.037 0.006 0.000 0.813 106 A CB 0.111 19.119 19.000 0.012 0.000 0.861 106 A HN 0.144 nan 8.150 nan 0.000 0.481 107 A N -0.843 121.979 122.820 0.003 0.000 2.238 107 A HA 0.377 4.697 4.320 -0.000 0.000 0.208 107 A C 1.695 179.301 177.584 0.037 0.000 1.177 107 A CA 1.167 53.218 52.037 0.023 0.000 0.804 107 A CB -0.175 18.831 19.000 0.010 0.000 0.823 107 A HN 0.278 nan 8.150 nan 0.000 0.482 108 V N -0.938 118.997 119.914 0.035 0.000 2.721 108 V HA 0.016 4.136 4.120 -0.000 0.000 0.236 108 V C 2.064 178.198 176.094 0.066 0.000 1.116 108 V CA 1.493 63.839 62.300 0.076 0.000 1.148 108 V CB 0.177 32.084 31.823 0.139 0.000 0.886 108 V HN 0.443 nan 8.190 nan 0.000 0.490 109 K N 0.367 120.800 120.400 0.054 0.000 2.589 109 K HA -0.097 4.223 4.320 -0.000 0.000 0.195 109 K C 1.616 178.239 176.600 0.039 0.000 1.040 109 K CA 1.466 57.780 56.287 0.046 0.000 0.950 109 K CB -0.301 32.221 32.500 0.037 0.000 0.781 109 K HN 0.517 nan 8.250 nan 0.000 0.486 110 M N -1.238 118.387 119.600 0.042 0.000 2.906 110 M HA -0.024 4.456 4.480 -0.000 0.000 0.252 110 M C 1.458 177.782 176.300 0.041 0.000 1.359 110 M CA 0.657 55.981 55.300 0.040 0.000 1.239 110 M CB 0.326 32.953 32.600 0.045 0.000 1.229 110 M HN -0.015 nan 8.290 nan 0.000 0.547 111 V N -1.121 118.822 119.914 0.050 0.000 2.759 111 V HA -0.090 4.030 4.120 -0.000 0.000 0.256 111 V C 2.023 178.143 176.094 0.043 0.000 1.080 111 V CA 1.469 63.799 62.300 0.050 0.000 1.101 111 V CB -1.298 30.560 31.823 0.059 0.000 0.698 111 V HN 0.456 nan 8.190 nan 0.000 0.477 112 R N 0.381 120.907 120.500 0.043 0.000 2.055 112 R HA 0.043 4.383 4.340 -0.000 0.000 0.226 112 R C 2.362 178.679 176.300 0.028 0.000 1.135 112 R CA 1.469 57.590 56.100 0.036 0.000 0.959 112 R CB -0.515 29.808 30.300 0.040 0.000 0.854 112 R HN 0.483 nan 8.270 nan 0.000 0.431 113 V N 1.318 121.248 119.914 0.027 0.000 2.490 113 V HA -0.208 3.912 4.120 -0.000 0.000 0.250 113 V C 1.558 177.663 176.094 0.019 0.000 1.061 113 V CA 1.610 63.922 62.300 0.020 0.000 1.064 113 V CB -0.411 31.422 31.823 0.018 0.000 0.670 113 V HN 0.372 nan 8.190 nan 0.000 0.461 114 Q N -0.586 119.227 119.800 0.023 0.000 2.253 114 Q HA 0.346 4.686 4.340 -0.000 0.000 0.210 114 Q C 1.444 177.458 176.000 0.024 0.000 0.907 114 Q CA 0.516 56.331 55.803 0.022 0.000 0.948 114 Q CB 0.220 28.971 28.738 0.023 0.000 1.033 114 Q HN 0.639 nan 8.270 nan 0.000 0.471 115 A N -0.275 122.560 122.820 0.025 0.000 2.456 115 A HA 0.150 4.470 4.320 -0.000 0.000 0.237 115 A C 1.353 178.951 177.584 0.024 0.000 1.217 115 A CA -0.108 51.945 52.037 0.025 0.000 0.962 115 A CB 0.571 19.586 19.000 0.026 0.000 1.079 115 A HN 0.216 nan 8.150 nan 0.000 0.536 116 I N 0.209 120.792 120.570 0.021 0.000 3.427 116 I HA 0.017 4.187 4.170 -0.000 0.000 0.288 116 I C 1.619 177.747 176.117 0.019 0.000 1.249 116 I CA 0.801 62.111 61.300 0.017 0.000 1.421 116 I CB -0.486 37.521 38.000 0.011 0.000 1.086 116 I HN 0.270 nan 8.210 nan 0.000 0.448 117 E N 0.985 121.198 120.200 0.022 0.000 2.060 117 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 117 E C 1.977 178.605 176.600 0.047 0.000 0.974 117 E CA 0.711 57.127 56.400 0.027 0.000 0.808 117 E CB -0.076 29.637 29.700 0.022 0.000 0.768 117 E HN 0.115 nan 8.360 nan 0.000 0.453 118 K N 1.330 121.756 120.400 0.043 0.000 2.147 118 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 118 K C 0.335 176.973 176.600 0.064 0.000 1.049 118 K CA 0.812 57.129 56.287 0.050 0.000 0.936 118 K CB -0.060 32.459 32.500 0.032 0.000 0.722 118 K HN 0.016 nan 8.250 nan 0.000 0.446 119 N N 0.322 119.053 118.700 0.053 0.000 3.112 119 N HA 0.154 4.894 4.740 -0.000 0.000 0.270 119 N C -0.070 175.469 175.510 0.048 0.000 1.385 119 N CA -0.125 52.957 53.050 0.054 0.000 0.986 119 N CB 0.778 39.287 38.487 0.037 0.000 1.261 119 N HN 0.025 nan 8.380 nan 0.000 0.495 120 R N 0.088 120.627 120.500 0.065 0.000 2.555 120 R HA 0.119 4.459 4.340 -0.000 0.000 0.312 120 R C 0.117 176.415 176.300 -0.003 0.000 0.938 120 R CA 0.002 56.109 56.100 0.013 0.000 1.112 120 R CB 0.372 30.664 30.300 -0.014 0.000 1.535 120 R HN 0.263 nan 8.270 nan 0.000 0.525 121 Y N -0.108 120.193 120.300 0.002 0.000 2.498 121 Y HA 0.292 4.842 4.550 -0.000 0.000 0.259 121 Y C 1.854 177.756 175.900 0.003 0.000 1.086 121 Y CA 0.121 58.222 58.100 0.003 0.000 1.287 121 Y CB 0.629 39.090 38.460 0.002 0.000 1.146 121 Y HN -0.133 nan 8.280 nan 0.000 0.523 122 R N -0.238 120.366 120.500 0.174 0.000 2.092 122 R HA -0.001 4.339 4.340 -0.000 0.000 0.231 122 R C 2.065 178.409 176.300 0.073 0.000 1.119 122 R CA 1.170 57.331 56.100 0.100 0.000 0.970 122 R CB -0.724 29.615 30.300 0.065 0.000 0.864 122 R HN 0.267 nan 8.270 nan 0.000 0.440 123 A N 0.899 123.753 122.820 0.057 0.000 2.169 123 A HA -0.033 4.287 4.320 -0.000 0.000 0.212 123 A C 0.789 178.392 177.584 0.031 0.000 1.153 123 A CA 0.569 52.627 52.037 0.034 0.000 0.756 123 A CB 0.110 19.121 19.000 0.018 0.000 0.813 123 A HN 0.270 nan 8.150 nan 0.000 0.471 124 E N -1.074 119.152 120.200 0.044 0.000 2.815 124 E HA 0.275 4.625 4.350 -0.000 0.000 0.211 124 E C -0.022 176.635 176.600 0.094 0.000 1.004 124 E CA -0.078 56.341 56.400 0.031 0.000 1.173 124 E CB 0.454 30.128 29.700 -0.043 0.000 1.163 124 E HN 0.529 nan 8.360 nan 0.000 0.449 125 E N -0.467 119.794 120.200 0.102 0.000 3.459 125 E HA 0.133 4.483 4.350 -0.000 0.000 0.235 125 E C 0.011 176.650 176.600 0.065 0.000 1.213 125 E CA -0.350 56.116 56.400 0.110 0.000 1.399 125 E CB -0.038 29.755 29.700 0.156 0.000 2.801 125 E HN 0.010 nan 8.360 nan 0.000 0.781 126 L N 1.369 122.625 121.223 0.055 0.000 2.713 126 L HA 0.350 4.690 4.340 -0.000 0.000 0.245 126 L C 0.720 177.608 176.870 0.029 0.000 1.169 126 L CA 1.427 56.287 54.840 0.034 0.000 0.962 126 L CB -0.875 41.199 42.059 0.026 0.000 1.161 126 L HN 0.448 nan 8.230 nan 0.000 0.427 127 A N -0.730 122.110 122.820 0.034 0.000 2.591 127 A HA 0.070 4.390 4.320 -0.000 0.000 0.204 127 A C 1.628 179.226 177.584 0.023 0.000 1.410 127 A CA -0.007 52.045 52.037 0.025 0.000 1.065 127 A CB 0.247 19.263 19.000 0.026 0.000 1.362 127 A HN 0.408 nan 8.150 nan 0.000 0.566 128 E N 0.868 121.086 120.200 0.030 0.000 2.502 128 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 128 E C 0.730 177.346 176.600 0.026 0.000 1.062 128 E CA 0.710 57.127 56.400 0.028 0.000 0.867 128 E CB -0.255 29.466 29.700 0.035 0.000 0.888 128 E HN 0.646 nan 8.360 nan 0.000 0.510 129 E N 0.690 120.902 120.200 0.021 0.000 2.409 129 E HA -0.115 4.235 4.350 -0.000 0.000 0.198 129 E C 1.703 178.304 176.600 0.002 0.000 1.024 129 E CA 0.281 56.687 56.400 0.011 0.000 0.861 129 E CB 0.079 29.783 29.700 0.007 0.000 0.788 129 E HN 0.126 nan 8.360 nan 0.000 0.521 130 R N 0.823 121.327 120.500 0.006 0.000 2.070 130 R HA -0.065 4.275 4.340 -0.000 0.000 0.233 130 R C 2.229 178.530 176.300 0.002 0.000 1.137 130 R CA 1.047 57.148 56.100 0.002 0.000 0.945 130 R CB -0.401 29.902 30.300 0.005 0.000 0.845 130 R HN 0.213 nan 8.270 nan 0.000 0.430 131 I N 0.072 120.650 120.570 0.013 0.000 2.315 131 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 131 I C 1.394 177.522 176.117 0.018 0.000 1.117 131 I CA 1.237 62.551 61.300 0.023 0.000 1.404 131 I CB 0.086 38.110 38.000 0.040 0.000 1.071 131 I HN 0.163 nan 8.210 nan 0.000 0.419 132 L N 0.366 121.596 121.223 0.010 0.000 2.201 132 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 132 L C 1.747 178.559 176.870 -0.097 0.000 1.105 132 L CA 0.935 55.757 54.840 -0.031 0.000 0.775 132 L CB -0.730 41.322 42.059 -0.011 0.000 0.913 132 L HN 0.266 nan 8.230 nan 0.000 0.440 133 D N -0.814 119.550 120.400 -0.060 0.000 2.234 133 D HA -0.107 4.533 4.640 -0.000 0.000 0.205 133 D C 1.987 178.245 176.300 -0.070 0.000 0.962 133 D CA 0.772 54.730 54.000 -0.069 0.000 0.855 133 D CB 0.252 41.026 40.800 -0.043 0.000 0.951 133 D HN 0.098 nan 8.370 nan 0.000 0.500 134 V N 0.135 120.019 119.914 -0.049 0.000 3.649 134 V HA 0.111 4.231 4.120 -0.000 0.000 0.275 134 V C 1.584 177.655 176.094 -0.038 0.000 1.281 134 V CA 0.420 62.699 62.300 -0.034 0.000 1.143 134 V CB -0.043 31.775 31.823 -0.009 0.000 0.892 134 V HN 0.091 nan 8.190 nan 0.000 0.441 135 L N -0.108 121.066 121.223 -0.081 0.000 2.221 135 L HA 0.288 4.628 4.340 -0.000 0.000 0.202 135 L C 0.522 177.192 176.870 -0.334 0.000 1.074 135 L CA 0.648 55.417 54.840 -0.118 0.000 0.795 135 L CB 0.391 42.386 42.059 -0.106 0.000 0.960 135 L HN 0.152 nan 8.230 nan 0.000 0.458 136 I N 0.243 120.591 120.570 -0.371 0.000 2.867 136 I HA 0.235 4.405 4.170 -0.000 0.000 0.282 136 I C -2.401 173.606 176.117 -0.183 0.000 1.437 136 I CA -1.965 59.134 61.300 -0.334 0.000 0.918 136 I CB 0.516 38.218 38.000 -0.497 0.000 1.612 136 I HN -0.207 nan 8.210 nan 0.000 0.592 137 P HA 0.016 nan 4.420 nan 0.000 0.242 137 P C -2.066 175.186 177.300 -0.079 0.000 1.116 137 P CA -0.245 62.805 63.100 -0.083 0.000 0.954 137 P CB -0.371 31.293 31.700 -0.061 0.000 0.908 138 P HA -0.125 nan 4.420 nan 0.000 0.268 138 P C 0.079 177.327 177.300 -0.085 0.000 1.171 138 P CA 0.476 63.533 63.100 -0.072 0.000 0.761 138 P CB 0.394 32.055 31.700 -0.065 0.000 0.786 139 A N 2.761 125.523 122.820 -0.096 0.000 2.586 139 A HA -0.041 4.279 4.320 -0.000 0.000 0.231 139 A C 0.201 177.654 177.584 -0.218 0.000 1.055 139 A CA 0.261 52.197 52.037 -0.169 0.000 0.756 139 A CB -0.198 18.643 19.000 -0.266 0.000 0.988 139 A HN 0.436 nan 8.150 nan 0.000 0.509 140 K N 2.266 122.527 120.400 -0.232 0.000 2.062 140 K HA 0.095 4.415 4.320 -0.000 0.000 0.251 140 K C 0.242 176.670 176.600 -0.286 0.000 1.113 140 K CA 1.040 57.203 56.287 -0.206 0.000 1.096 140 K CB -0.703 31.698 32.500 -0.164 0.000 1.099 140 K HN 0.794 nan 8.250 nan 0.000 0.350 141 N N 3.034 121.589 118.700 -0.242 0.000 2.438 141 N HA -0.183 4.557 4.740 -0.000 0.000 0.279 141 N C -0.677 174.611 175.510 -0.369 0.000 1.343 141 N CA -0.206 52.696 53.050 -0.246 0.000 0.632 141 N CB -0.093 38.258 38.487 -0.226 0.000 0.902 141 N HN 0.831 nan 8.380 nan 0.000 0.518 142 N N 3.055 121.604 118.700 -0.251 0.000 2.292 142 N HA -0.160 4.580 4.740 -0.000 0.000 0.242 142 N C 1.031 176.427 175.510 -0.190 0.000 1.243 142 N CA 0.323 53.249 53.050 -0.207 0.000 0.851 142 N CB 0.328 38.784 38.487 -0.051 0.000 1.093 142 N HN 0.504 nan 8.380 nan 0.000 0.450 143 W N 1.433 122.728 121.300 -0.008 0.000 2.360 143 W HA 0.070 4.730 4.660 0.000 0.000 0.323 143 W C 0.843 177.358 176.519 -0.006 0.000 1.181 143 W CA 1.960 59.301 57.345 -0.007 0.000 1.261 143 W CB -0.975 28.482 29.460 -0.006 0.000 1.195 143 W HN 0.807 nan 8.180 nan 0.000 0.454 144 G N 0.362 109.317 108.800 0.258 0.000 2.314 144 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.286 144 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.286 144 G C -0.391 174.570 174.900 0.103 0.000 1.270 144 G CA -0.604 44.577 45.100 0.135 0.000 1.277 144 G HN 0.092 nan 8.290 nan 0.000 0.635 145 Q N 1.060 120.910 119.800 0.083 0.000 2.084 145 Q HA 0.177 4.517 4.340 -0.000 0.000 0.230 145 Q C 1.608 177.628 176.000 0.034 0.000 0.806 145 Q CA 0.924 56.756 55.803 0.047 0.000 1.083 145 Q CB 0.616 29.372 28.738 0.030 0.000 1.208 145 Q HN 1.813 nan 8.270 nan 0.000 0.462 146 T N -2.271 112.306 114.554 0.038 0.000 6.355 146 T HA -0.293 4.057 4.350 -0.000 0.000 0.325 146 T C 0.515 175.230 174.700 0.024 0.000 1.258 146 T CA 2.232 64.349 62.100 0.027 0.000 2.332 146 T CB -1.114 67.765 68.868 0.019 0.000 2.396 146 T HN 0.543 nan 8.240 nan 0.000 1.078 147 E N -1.734 118.484 120.200 0.030 0.000 2.614 147 E HA 0.090 4.440 4.350 -0.000 0.000 0.192 147 E C 1.448 178.069 176.600 0.034 0.000 0.930 147 E CA -0.257 56.158 56.400 0.025 0.000 1.346 147 E CB 0.078 29.787 29.700 0.015 0.000 1.252 147 E HN 0.327 nan 8.360 nan 0.000 0.647 148 Q N 0.407 120.239 119.800 0.053 0.000 2.137 148 Q HA 0.021 4.361 4.340 -0.000 0.000 0.198 148 Q C 1.064 177.121 176.000 0.096 0.000 0.960 148 Q CA 1.093 56.946 55.803 0.084 0.000 0.847 148 Q CB 0.324 29.145 28.738 0.138 0.000 0.915 148 Q HN 0.415 nan 8.270 nan 0.000 0.448 149 Q N -0.384 119.460 119.800 0.074 0.000 2.247 149 Q HA 0.042 4.382 4.340 -0.000 0.000 0.205 149 Q C 1.109 177.133 176.000 0.040 0.000 0.896 149 Q CA 0.029 55.866 55.803 0.056 0.000 0.950 149 Q CB 0.581 29.343 28.738 0.040 0.000 1.054 149 Q HN 0.179 nan 8.270 nan 0.000 0.482 150 Q N 0.037 119.862 119.800 0.041 0.000 2.126 150 Q HA 0.024 4.364 4.340 -0.000 0.000 0.233 150 Q C 0.936 176.956 176.000 0.032 0.000 0.788 150 Q CA 0.099 55.921 55.803 0.032 0.000 0.968 150 Q CB 0.904 29.657 28.738 0.026 0.000 1.163 150 Q HN 0.287 nan 8.270 nan 0.000 0.471 151 E N 1.012 121.235 120.200 0.038 0.000 2.031 151 E HA -0.106 4.244 4.350 -0.000 0.000 0.193 151 E C -0.848 175.772 176.600 0.035 0.000 0.994 151 E CA 1.237 57.656 56.400 0.031 0.000 0.800 151 E CB -0.768 28.952 29.700 0.034 0.000 0.752 151 E HN 0.347 nan 8.360 nan 0.000 0.447 152 P HA -0.069 nan 4.420 nan 0.000 0.215 152 P C 0.377 177.705 177.300 0.047 0.000 1.153 152 P CA 0.955 64.081 63.100 0.043 0.000 0.853 152 P CB -0.125 31.596 31.700 0.034 0.000 0.788 153 S N -0.704 115.021 115.700 0.042 0.000 3.021 153 S HA 0.050 4.520 4.470 -0.000 0.000 0.235 153 S C 0.992 175.621 174.600 0.047 0.000 0.667 153 S CA 0.661 58.889 58.200 0.046 0.000 1.991 153 S CB -1.179 62.044 63.200 0.038 0.000 1.240 153 S HN 0.294 nan 8.310 nan 0.000 0.615 154 A N 1.282 124.138 122.820 0.061 0.000 1.869 154 A HA 0.649 4.969 4.320 -0.000 0.000 0.147 154 A C 1.570 179.212 177.584 0.097 0.000 1.424 154 A CA 0.426 52.500 52.037 0.062 0.000 1.956 154 A CB -1.003 18.025 19.000 0.047 0.000 1.927 154 A HN 0.620 nan 8.150 nan 0.000 1.065 155 A N 0.142 123.025 122.820 0.105 0.000 1.873 155 A HA -0.003 4.317 4.320 -0.000 0.000 0.215 155 A C 2.081 179.810 177.584 0.242 0.000 1.186 155 A CA 2.312 54.451 52.037 0.171 0.000 0.616 155 A CB -0.478 18.593 19.000 0.119 0.000 0.823 155 A HN 0.470 nan 8.150 nan 0.000 0.442 156 R N -0.171 120.402 120.500 0.122 0.000 2.082 156 R HA -0.115 4.225 4.340 -0.000 0.000 0.228 156 R C 2.285 178.682 176.300 0.162 0.000 1.140 156 R CA 2.194 58.352 56.100 0.096 0.000 0.920 156 R CB -0.846 29.476 30.300 0.037 0.000 0.828 156 R HN 0.613 nan 8.270 nan 0.000 0.430 157 Q N -0.811 119.056 119.800 0.112 0.000 2.376 157 Q HA -0.159 4.181 4.340 -0.000 0.000 0.211 157 Q C 1.707 177.771 176.000 0.106 0.000 0.986 157 Q CA 1.382 57.242 55.803 0.094 0.000 0.886 157 Q CB -0.088 28.688 28.738 0.063 0.000 0.927 157 Q HN 0.502 nan 8.270 nan 0.000 0.457 158 A N -0.452 122.457 122.820 0.148 0.000 1.898 158 A HA -0.093 4.227 4.320 -0.000 0.000 0.214 158 A C 1.487 179.105 177.584 0.058 0.000 1.183 158 A CA 0.708 52.798 52.037 0.089 0.000 0.622 158 A CB -0.400 18.646 19.000 0.077 0.000 0.824 158 A HN 0.322 nan 8.150 nan 0.000 0.444 159 F N -0.189 119.768 119.950 0.011 0.000 2.325 159 F HA 0.051 4.578 4.527 -0.000 0.000 0.299 159 F C 2.483 178.288 175.800 0.010 0.000 1.090 159 F CA 1.078 59.084 58.000 0.010 0.000 1.392 159 F CB -0.127 38.879 39.000 0.011 0.000 1.053 159 F HN 0.099 nan 8.300 nan 0.000 0.521 160 R N -0.010 120.600 120.500 0.184 0.000 2.100 160 R HA -0.077 4.263 4.340 -0.000 0.000 0.220 160 R C 2.251 178.588 176.300 0.061 0.000 1.091 160 R CA 0.879 57.043 56.100 0.107 0.000 0.986 160 R CB -0.129 30.226 30.300 0.091 0.000 0.888 160 R HN 0.150 nan 8.270 nan 0.000 0.444 161 K N 1.116 121.544 120.400 0.047 0.000 2.103 161 K HA -0.113 4.207 4.320 -0.000 0.000 0.204 161 K C 1.464 178.062 176.600 -0.003 0.000 1.052 161 K CA 1.345 57.643 56.287 0.019 0.000 0.945 161 K CB 0.205 32.713 32.500 0.014 0.000 0.722 161 K HN -0.026 nan 8.250 nan 0.000 0.443 162 K N 0.259 120.644 120.400 -0.025 0.000 2.366 162 K HA -0.054 4.266 4.320 -0.000 0.000 0.198 162 K C 0.862 177.443 176.600 -0.032 0.000 1.044 162 K CA 0.250 56.502 56.287 -0.058 0.000 0.973 162 K CB 0.130 32.546 32.500 -0.140 0.000 0.767 162 K HN 0.062 nan 8.250 nan 0.000 0.475 163 L N 1.488 122.712 121.223 0.001 0.000 2.968 163 L HA 0.076 4.416 4.340 -0.000 0.000 0.235 163 L C 0.549 177.425 176.870 0.011 0.000 1.323 163 L CA 0.431 55.281 54.840 0.017 0.000 1.159 163 L CB -0.102 41.987 42.059 0.050 0.000 1.523 163 L HN -0.096 nan 8.230 nan 0.000 0.468 164 R N 0.482 120.982 120.500 -0.001 0.000 2.393 164 R HA 0.173 4.513 4.340 -0.000 0.000 0.244 164 R C 0.393 176.688 176.300 -0.008 0.000 0.920 164 R CA 0.786 56.884 56.100 -0.002 0.000 1.076 164 R CB 0.328 30.626 30.300 -0.003 0.000 1.119 164 R HN 0.681 nan 8.270 nan 0.000 0.524 165 E N -3.342 116.852 120.200 -0.009 0.000 1.119 165 E HA -0.038 4.312 4.350 -0.000 0.000 0.202 165 E C 0.358 176.950 176.600 -0.012 0.000 0.912 165 E CA 0.583 56.977 56.400 -0.011 0.000 0.851 165 E CB -0.989 28.704 29.700 -0.013 0.000 4.846 165 E HN 0.051 nan 8.360 nan 0.000 0.582 166 G N 1.356 110.147 108.800 -0.016 0.000 2.448 166 G HA2 0.498 4.458 3.960 -0.000 0.000 0.309 166 G HA3 0.498 4.458 3.960 -0.000 0.000 0.309 166 G C -0.188 174.705 174.900 -0.013 0.000 1.027 166 G CA 0.356 45.444 45.100 -0.019 0.000 1.104 166 G HN 0.236 nan 8.290 nan 0.000 0.428 167 Q N 1.542 121.338 119.800 -0.007 0.000 3.111 167 Q HA 0.704 5.044 4.340 -0.000 0.000 0.372 167 Q C 0.424 176.424 176.000 0.001 0.000 0.781 167 Q CA -0.943 54.861 55.803 0.001 0.000 0.866 167 Q CB 0.698 29.439 28.738 0.005 0.000 1.351 167 Q HN 0.985 nan 8.270 nan 0.000 0.453 168 L N -0.374 120.851 121.223 0.004 0.000 4.613 168 L HA -0.108 4.231 4.340 -0.000 0.000 0.409 168 L C -1.758 175.116 176.870 0.006 0.000 1.100 168 L CA 1.257 56.100 54.840 0.004 0.000 1.029 168 L CB -1.477 40.582 42.059 -0.000 0.000 2.137 168 L HN 0.768 nan 8.230 nan 0.000 0.713 169 D N 2.096 122.502 120.400 0.011 0.000 2.428 169 D HA 0.333 4.973 4.640 -0.000 0.000 0.221 169 D C 0.171 176.483 176.300 0.020 0.000 1.123 169 D CA 0.154 54.164 54.000 0.016 0.000 0.869 169 D CB 0.605 41.419 40.800 0.022 0.000 1.032 169 D HN 0.522 nan 8.370 nan 0.000 0.506 170 D N 1.167 121.577 120.400 0.016 0.000 2.455 170 D HA 0.131 4.771 4.640 -0.000 0.000 0.241 170 D C 0.375 176.687 176.300 0.019 0.000 1.138 170 D CA 0.118 54.127 54.000 0.015 0.000 0.877 170 D CB 1.607 42.413 40.800 0.011 0.000 1.187 170 D HN 0.202 nan 8.370 nan 0.000 0.451 171 K N 0.952 121.362 120.400 0.018 0.000 1.902 171 K HA 0.454 4.774 4.320 -0.000 0.000 0.309 171 K C -0.624 175.983 176.600 0.012 0.000 0.941 171 K CA -0.888 55.410 56.287 0.018 0.000 0.607 171 K CB 0.781 33.296 32.500 0.024 0.000 3.432 171 K HN 0.780 nan 8.250 nan 0.000 1.214 172 E N 0.499 120.705 120.200 0.010 0.000 2.374 172 E HA 0.310 4.660 4.350 -0.000 0.000 0.281 172 E C -1.299 175.303 176.600 0.002 0.000 1.170 172 E CA -0.859 55.544 56.400 0.005 0.000 0.919 172 E CB 0.989 30.691 29.700 0.003 0.000 1.218 172 E HN 0.375 nan 8.360 nan 0.000 0.425 173 I N -2.147 118.424 120.570 0.001 0.000 3.395 173 I HA 0.655 4.825 4.170 -0.000 0.000 0.318 173 I C -1.248 174.867 176.117 -0.003 0.000 1.262 173 I CA -1.006 60.293 61.300 -0.002 0.000 0.910 173 I CB 0.990 38.989 38.000 -0.001 0.000 1.329 173 I HN 0.724 nan 8.210 nan 0.000 0.485 211 Q N 1.090 120.889 119.800 -0.003 0.000 2.499 211 Q HA 0.354 4.694 4.340 -0.000 0.000 0.213 211 Q C 1.258 177.257 176.000 -0.002 0.000 0.929 211 Q CA 0.568 56.370 55.803 -0.003 0.000 0.904 211 Q CB 0.824 29.560 28.738 -0.004 0.000 1.052 211 Q HN 0.677 nan 8.270 nan 0.000 0.589 212 K N -2.620 117.778 120.400 -0.002 0.000 2.967 212 K HA 0.229 4.549 4.320 -0.000 0.000 0.293 212 K C 0.022 176.621 176.600 -0.002 0.000 3.020 212 K CA 0.872 57.158 56.287 -0.001 0.000 1.602 212 K CB -1.064 31.436 32.500 -0.001 0.000 3.229 212 K HN 0.251 nan 8.250 nan 0.000 0.281 213 A N 1.033 123.852 122.820 -0.002 0.000 1.467 213 A HA -0.287 4.033 4.320 -0.000 0.000 0.224 213 A C 0.288 177.871 177.584 -0.001 0.000 0.419 213 A CA 1.877 53.912 52.037 -0.002 0.000 1.100 213 A CB -2.150 16.848 19.000 -0.003 0.000 1.463 213 A HN 0.624 nan 8.150 nan 0.000 0.719 214 R N 1.408 121.907 120.500 -0.000 0.000 2.478 214 R HA -0.003 4.337 4.340 -0.000 0.000 0.281 214 R C -0.047 176.254 176.300 0.001 0.000 0.939 214 R CA 1.291 57.391 56.100 0.000 0.000 1.120 214 R CB 0.008 30.309 30.300 0.001 0.000 0.885 214 R HN 0.584 nan 8.270 nan 0.000 0.415 215 K N 4.744 125.145 120.400 0.002 0.000 2.382 215 K HA 0.255 4.575 4.320 -0.000 0.000 0.275 215 K C 0.083 176.686 176.600 0.004 0.000 1.009 215 K CA -0.115 56.174 56.287 0.003 0.000 0.970 215 K CB 0.353 32.855 32.500 0.004 0.000 0.934 215 K HN 0.598 nan 8.250 nan 0.000 0.479 216 L N -0.721 120.505 121.223 0.006 0.000 2.741 216 L HA 0.621 4.961 4.340 -0.000 0.000 0.256 216 L C -0.538 176.336 176.870 0.008 0.000 1.084 216 L CA -1.233 53.611 54.840 0.006 0.000 1.021 216 L CB 1.028 43.090 42.059 0.005 0.000 1.588 216 L HN 0.442 nan 8.230 nan 0.000 0.368 217 K N -0.513 119.892 120.400 0.007 0.000 3.283 217 K HA 0.615 4.935 4.320 -0.000 0.000 0.249 217 K C 0.517 177.124 176.600 0.011 0.000 1.008 217 K CA 0.674 56.967 56.287 0.009 0.000 1.687 217 K CB 0.343 32.847 32.500 0.006 0.000 2.788 217 K HN 0.700 nan 8.250 nan 0.000 0.849 218 I N -1.250 119.326 120.570 0.010 0.000 5.010 218 I HA 0.117 4.287 4.170 -0.000 0.000 0.329 218 I C 1.039 177.160 176.117 0.007 0.000 1.229 218 I CA -0.114 61.193 61.300 0.012 0.000 1.399 218 I CB 0.334 38.344 38.000 0.017 0.000 1.459 218 I HN 0.289 nan 8.210 nan 0.000 0.500 219 K N 1.554 121.957 120.400 0.004 0.000 2.519 219 K HA -0.141 4.179 4.320 -0.000 0.000 0.196 219 K C 0.533 177.133 176.600 0.001 0.000 1.041 219 K CA 1.570 57.857 56.287 0.001 0.000 0.954 219 K CB 0.051 32.551 32.500 -0.001 0.000 0.774 219 K HN 0.373 nan 8.250 nan 0.000 0.480 220 D N -1.901 118.500 120.400 0.003 0.000 3.050 220 D HA 0.154 4.794 4.640 -0.000 0.000 0.281 220 D C 1.490 177.793 176.300 0.004 0.000 1.246 220 D CA 0.715 54.717 54.000 0.003 0.000 1.073 220 D CB -0.684 40.118 40.800 0.003 0.000 1.382 220 D HN 0.040 nan 8.370 nan 0.000 0.433 221 A N 0.823 123.647 122.820 0.007 0.000 1.986 221 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 221 A C 2.126 179.715 177.584 0.008 0.000 1.171 221 A CA 1.899 53.941 52.037 0.008 0.000 0.640 221 A CB -0.596 18.411 19.000 0.011 0.000 0.811 221 A HN 0.190 nan 8.150 nan 0.000 0.451 222 M N -0.928 118.677 119.600 0.009 0.000 2.123 222 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 222 M C 1.735 178.038 176.300 0.004 0.000 1.069 222 M CA 1.869 57.174 55.300 0.008 0.000 1.133 222 M CB -0.149 32.456 32.600 0.009 0.000 1.356 222 M HN 0.203 nan 8.290 nan 0.000 0.415 223 K N -0.215 120.186 120.400 0.001 0.000 2.103 223 K HA 0.076 4.396 4.320 -0.000 0.000 0.204 223 K C 1.722 178.322 176.600 0.000 0.000 1.052 223 K CA 0.840 57.127 56.287 -0.002 0.000 0.945 223 K CB -0.723 31.775 32.500 -0.003 0.000 0.722 223 K HN 0.232 nan 8.250 nan 0.000 0.443 224 L N 0.555 121.779 121.223 0.002 0.000 2.261 224 L HA -0.114 4.226 4.340 -0.000 0.000 0.216 224 L C 1.717 178.589 176.870 0.003 0.000 1.114 224 L CA 1.233 56.074 54.840 0.002 0.000 0.777 224 L CB -0.608 41.452 42.059 0.003 0.000 0.910 224 L HN 0.229 nan 8.230 nan 0.000 0.440 225 L N -0.971 120.254 121.223 0.004 0.000 2.209 225 L HA -0.083 4.257 4.340 -0.000 0.000 0.207 225 L C 2.488 179.361 176.870 0.005 0.000 1.094 225 L CA 0.810 55.653 54.840 0.005 0.000 0.790 225 L CB -0.492 41.571 42.059 0.007 0.000 0.932 225 L HN 0.110 nan 8.230 nan 0.000 0.447 226 I N 0.323 120.894 120.570 0.002 0.000 2.091 226 I HA -0.326 3.844 4.170 -0.000 0.000 0.240 226 I C 2.474 178.592 176.117 0.003 0.000 1.046 226 I CA 1.639 62.938 61.300 -0.000 0.000 1.306 226 I CB -0.887 37.109 38.000 -0.006 0.000 1.018 226 I HN 0.321 nan 8.210 nan 0.000 0.404 227 E N 0.048 120.249 120.200 0.002 0.000 2.060 227 E HA -0.156 4.194 4.350 -0.000 0.000 0.189 227 E C 1.926 178.529 176.600 0.005 0.000 0.974 227 E CA 0.433 56.835 56.400 0.004 0.000 0.808 227 E CB -0.250 29.452 29.700 0.003 0.000 0.768 227 E HN 0.363 nan 8.360 nan 0.000 0.453 228 E N 1.420 121.623 120.200 0.005 0.000 2.103 228 E HA -0.202 4.148 4.350 -0.000 0.000 0.229 228 E C 0.432 177.036 176.600 0.006 0.000 1.061 228 E CA 1.300 57.703 56.400 0.005 0.000 0.916 228 E CB -0.026 29.676 29.700 0.004 0.000 0.806 228 E HN -0.055 nan 8.360 nan 0.000 0.489 229 E N -1.022 119.183 120.200 0.008 0.000 1.941 229 E HA 0.338 4.688 4.350 -0.000 0.000 0.275 229 E C -0.412 176.197 176.600 0.014 0.000 1.113 229 E CA 0.578 56.985 56.400 0.011 0.000 0.878 229 E CB 0.799 30.507 29.700 0.013 0.000 1.070 229 E HN 0.374 nan 8.360 nan 0.000 0.399 230 A N 2.669 125.497 122.820 0.014 0.000 2.557 230 A HA 0.066 4.386 4.320 -0.000 0.000 0.183 230 A C 1.421 179.014 177.584 0.014 0.000 1.851 230 A CA 0.434 52.481 52.037 0.016 0.000 1.521 230 A CB -0.863 18.146 19.000 0.015 0.000 1.343 230 A HN 0.420 nan 8.150 nan 0.000 0.335 231 A N 0.044 122.870 122.820 0.010 0.000 2.248 231 A HA 0.139 4.459 4.320 -0.000 0.000 0.210 231 A C 1.686 179.275 177.584 0.008 0.000 1.174 231 A CA 1.978 54.020 52.037 0.008 0.000 0.750 231 A CB -0.385 18.619 19.000 0.006 0.000 0.780 231 A HN 0.444 nan 8.150 nan 0.000 0.478 232 K N -0.980 119.425 120.400 0.009 0.000 2.098 232 K HA 0.092 4.412 4.320 -0.000 0.000 0.203 232 K C 1.764 178.369 176.600 0.009 0.000 1.051 232 K CA 0.814 57.105 56.287 0.007 0.000 0.957 232 K CB -0.207 32.298 32.500 0.007 0.000 0.738 232 K HN 0.370 nan 8.250 nan 0.000 0.447 233 L N 0.562 121.792 121.223 0.012 0.000 2.072 233 L HA 0.046 4.386 4.340 -0.000 0.000 0.205 233 L C -0.049 176.829 176.870 0.013 0.000 1.079 233 L CA 1.306 56.153 54.840 0.013 0.000 0.752 233 L CB -0.055 42.014 42.059 0.016 0.000 0.906 233 L HN -0.202 nan 8.230 nan 0.000 0.436 234 V N 2.564 122.486 119.914 0.014 0.000 2.439 234 V HA 0.159 4.279 4.120 -0.000 0.000 0.271 234 V C 0.124 176.224 176.094 0.011 0.000 1.040 234 V CA -0.131 62.178 62.300 0.014 0.000 1.002 234 V CB -0.130 31.702 31.823 0.015 0.000 1.000 234 V HN 0.683 nan 8.190 nan 0.000 0.477 235 N N 6.604 125.310 118.700 0.011 0.000 2.530 235 N HA 0.623 5.363 4.740 -0.000 0.000 0.283 235 N C -1.697 173.817 175.510 0.007 0.000 1.238 235 N CA -1.497 51.557 53.050 0.008 0.000 0.971 235 N CB 0.878 39.370 38.487 0.008 0.000 1.195 235 N HN 0.268 nan 8.380 nan 0.000 0.583 236 P HA 0.088 nan 4.420 nan 0.000 0.209 236 P C 0.039 177.341 177.300 0.004 0.000 1.158 236 P CA 0.840 63.940 63.100 -0.001 0.000 0.899 236 P CB 0.074 31.769 31.700 -0.009 0.000 0.756 237 E N 0.509 120.711 120.200 0.004 0.000 2.453 237 E HA -0.103 4.247 4.350 -0.000 0.000 0.207 237 E C 0.818 177.427 176.600 0.015 0.000 1.212 237 E CA 0.685 57.089 56.400 0.008 0.000 0.959 237 E CB -0.361 29.343 29.700 0.006 0.000 0.957 237 E HN 0.545 nan 8.360 nan 0.000 0.540 238 E N -1.208 119.003 120.200 0.018 0.000 2.684 238 E HA 0.126 4.476 4.350 -0.000 0.000 0.204 238 E C 1.637 178.256 176.600 0.031 0.000 0.900 238 E CA -0.131 56.283 56.400 0.024 0.000 1.481 238 E CB -0.037 29.676 29.700 0.021 0.000 1.468 238 E HN 0.123 nan 8.360 nan 0.000 0.778 239 L N 1.763 123.003 121.223 0.029 0.000 2.005 239 L HA -0.042 4.298 4.340 -0.000 0.000 0.207 239 L C 2.247 179.147 176.870 0.049 0.000 1.072 239 L CA 1.766 56.628 54.840 0.037 0.000 0.744 239 L CB -0.003 42.074 42.059 0.030 0.000 0.895 239 L HN -0.039 nan 8.230 nan 0.000 0.433 240 K N -1.010 119.416 120.400 0.043 0.000 2.228 240 K HA -0.170 4.150 4.320 -0.000 0.000 0.202 240 K C 2.204 178.844 176.600 0.066 0.000 1.051 240 K CA 0.815 57.140 56.287 0.064 0.000 0.960 240 K CB -0.042 32.471 32.500 0.022 0.000 0.743 240 K HN 0.422 nan 8.250 nan 0.000 0.458 241 Q N 1.038 120.866 119.800 0.046 0.000 2.172 241 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 241 Q C 0.735 176.762 176.000 0.044 0.000 0.964 241 Q CA 1.542 57.369 55.803 0.041 0.000 0.855 241 Q CB 0.139 28.895 28.738 0.030 0.000 0.918 241 Q HN 0.340 nan 8.270 nan 0.000 0.444 242 D N 0.112 120.542 120.400 0.050 0.000 2.194 242 D HA -0.014 4.626 4.640 -0.000 0.000 0.204 242 D C 1.658 177.995 176.300 0.062 0.000 0.964 242 D CA 1.085 55.119 54.000 0.057 0.000 0.846 242 D CB -0.120 40.718 40.800 0.063 0.000 0.962 242 D HN 0.298 nan 8.370 nan 0.000 0.490 243 A N 0.687 123.547 122.820 0.067 0.000 1.892 243 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 243 A C 2.096 179.705 177.584 0.042 0.000 1.188 243 A CA 1.199 53.274 52.037 0.063 0.000 0.631 243 A CB -0.772 18.278 19.000 0.083 0.000 0.822 243 A HN 0.133 nan 8.150 nan 0.000 0.447 244 I N 0.965 121.559 120.570 0.041 0.000 2.151 244 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 244 I C 1.917 178.035 176.117 0.002 0.000 1.080 244 I CA 1.995 63.308 61.300 0.021 0.000 1.339 244 I CB -0.632 37.385 38.000 0.029 0.000 1.039 244 I HN 0.323 nan 8.210 nan 0.000 0.409 245 D N 0.646 121.051 120.400 0.008 0.000 2.133 245 D HA -0.220 4.420 4.640 -0.000 0.000 0.195 245 D C 2.244 178.516 176.300 -0.047 0.000 0.997 245 D CA 1.752 55.743 54.000 -0.015 0.000 0.840 245 D CB -0.537 40.275 40.800 0.020 0.000 0.947 245 D HN 0.415 nan 8.370 nan 0.000 0.452 246 A N 0.999 123.829 122.820 0.016 0.000 1.828 246 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 246 A C 2.630 180.199 177.584 -0.024 0.000 1.203 246 A CA 1.768 53.835 52.037 0.050 0.000 0.614 246 A CB -1.082 17.980 19.000 0.104 0.000 0.844 246 A HN 0.115 nan 8.150 nan 0.000 0.445 247 V N 0.536 120.444 119.914 -0.010 0.000 2.250 247 V HA -0.372 3.748 4.120 -0.000 0.000 0.253 247 V C 2.549 178.604 176.094 -0.064 0.000 1.065 247 V CA 2.626 64.907 62.300 -0.031 0.000 1.039 247 V CB -1.005 30.801 31.823 -0.028 0.000 0.647 247 V HN 0.651 nan 8.190 nan 0.000 0.446 248 E N -0.806 119.354 120.200 -0.067 0.000 2.085 248 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 248 E C 2.316 178.844 176.600 -0.120 0.000 0.994 248 E CA 1.333 57.696 56.400 -0.063 0.000 0.801 248 E CB -0.143 29.528 29.700 -0.047 0.000 0.743 248 E HN 0.613 nan 8.360 nan 0.000 0.453 249 Q N -0.661 118.967 119.800 -0.286 0.000 2.297 249 Q HA -0.009 4.331 4.340 -0.000 0.000 0.203 249 Q C 1.230 176.799 176.000 -0.719 0.000 0.931 249 Q CA 0.933 56.385 55.803 -0.586 0.000 0.885 249 Q CB 0.442 28.634 28.738 -0.909 0.000 0.991 249 Q HN 0.482 nan 8.270 nan 0.000 0.498 250 H N -1.317 117.706 119.070 -0.077 0.000 3.078 250 H HA 0.292 4.848 4.556 -0.000 0.000 0.263 250 H C 0.439 175.748 175.328 -0.031 0.000 1.177 250 H CA 0.093 56.102 56.048 -0.065 0.000 1.128 250 H CB 0.295 30.001 29.762 -0.094 0.000 1.623 250 H HN 0.049 nan 8.280 nan 0.000 0.592 251 G N 1.550 110.352 108.800 0.003 0.000 2.414 251 G HA2 0.329 4.289 3.960 -0.000 0.000 0.236 251 G HA3 0.329 4.289 3.960 -0.000 0.000 0.236 251 G C -0.103 174.760 174.900 -0.061 0.000 1.293 251 G CA -0.119 44.964 45.100 -0.029 0.000 0.869 251 G HN 0.251 nan 8.290 nan 0.000 0.556 252 I N 1.937 122.500 120.570 -0.012 0.000 2.468 252 I HA 0.184 4.354 4.170 -0.000 0.000 0.284 252 I C -0.478 175.588 176.117 -0.085 0.000 1.038 252 I CA -0.737 60.578 61.300 0.024 0.000 1.083 252 I CB 2.265 40.437 38.000 0.286 0.000 1.223 252 I HN 0.092 nan 8.210 nan 0.000 0.443 253 V N 6.670 126.434 119.914 -0.251 0.000 2.394 253 V HA 0.322 4.442 4.120 -0.000 0.000 0.282 253 V C -0.625 175.492 176.094 0.038 0.000 1.031 253 V CA -0.530 61.647 62.300 -0.205 0.000 0.881 253 V CB 1.705 33.389 31.823 -0.233 0.000 0.982 253 V HN 0.460 nan 8.190 nan 0.000 0.451 254 F N 6.326 126.159 119.950 -0.195 0.000 2.361 254 F HA 0.594 5.121 4.527 -0.000 0.000 0.364 254 F C 0.066 175.874 175.800 0.014 0.000 1.117 254 F CA -0.610 57.383 58.000 -0.011 0.000 1.071 254 F CB 0.885 39.914 39.000 0.048 0.000 1.188 254 F HN 0.368 nan 8.300 nan 0.000 0.464 255 I N 5.672 126.051 120.570 -0.319 0.000 2.276 255 I HA 0.138 4.308 4.170 -0.000 0.000 0.290 255 I C -0.084 175.780 176.117 -0.421 0.000 1.109 255 I CA -0.517 60.649 61.300 -0.223 0.000 1.229 255 I CB 0.033 37.992 38.000 -0.069 0.000 1.452 255 I HN 0.504 nan 8.210 nan 0.000 0.497 256 D N 5.454 125.649 120.400 -0.343 0.000 2.368 256 D HA -0.041 4.599 4.640 -0.000 0.000 0.240 256 D C 0.842 177.054 176.300 -0.146 0.000 1.169 256 D CA 0.348 54.207 54.000 -0.235 0.000 0.906 256 D CB 0.633 41.450 40.800 0.028 0.000 1.187 256 D HN 0.687 nan 8.370 nan 0.000 0.435 257 E N 0.346 120.469 120.200 -0.128 0.000 2.328 257 E HA -0.324 4.026 4.350 -0.000 0.000 0.233 257 E C 0.633 177.139 176.600 -0.156 0.000 1.219 257 E CA 0.164 56.478 56.400 -0.144 0.000 0.717 257 E CB -1.822 27.814 29.700 -0.107 0.000 1.210 257 E HN 0.456 nan 8.360 nan 0.000 0.381 258 I N 1.930 122.406 120.570 -0.155 0.000 2.454 258 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 258 I C 1.931 177.968 176.117 -0.132 0.000 1.156 258 I CA 2.157 63.402 61.300 -0.093 0.000 1.433 258 I CB -0.141 37.848 38.000 -0.018 0.000 1.082 258 I HN 0.451 nan 8.210 nan 0.000 0.432 259 D N 0.004 120.183 120.400 -0.369 0.000 2.310 259 D HA -0.200 4.440 4.640 -0.000 0.000 0.212 259 D C 1.470 177.614 176.300 -0.259 0.000 0.965 259 D CA 0.811 54.491 54.000 -0.533 0.000 0.879 259 D CB -0.574 39.405 40.800 -1.368 0.000 0.921 259 D HN 0.326 nan 8.370 nan 0.000 0.510 260 K N 0.579 120.862 120.400 -0.195 0.000 2.525 260 K HA 0.085 4.405 4.320 -0.000 0.000 0.192 260 K C 1.551 178.106 176.600 -0.075 0.000 1.029 260 K CA 0.224 56.438 56.287 -0.122 0.000 1.029 260 K CB 0.306 32.739 32.500 -0.110 0.000 0.814 260 K HN 0.522 nan 8.250 nan 0.000 0.503 261 I N -3.230 117.305 120.570 -0.058 0.000 3.707 261 I HA 0.230 4.399 4.170 -0.000 0.000 0.330 261 I C 0.009 176.120 176.117 -0.010 0.000 1.572 261 I CA -0.654 60.630 61.300 -0.027 0.000 1.104 261 I CB 0.062 38.056 38.000 -0.010 0.000 1.240 261 I HN -0.243 nan 8.210 nan 0.000 0.475 262 C N 1.748 121.046 119.300 -0.003 0.000 2.325 262 C HA 0.454 4.914 4.460 -0.000 0.000 0.370 262 C C 0.498 175.497 174.990 0.015 0.000 1.217 262 C CA -0.610 58.425 59.018 0.029 0.000 2.254 262 C CB 1.577 29.366 27.740 0.083 0.000 2.282 262 C HN 0.514 nan 8.230 nan 0.000 0.564 263 K N 1.268 121.680 120.400 0.021 0.000 2.297 263 K HA 0.585 4.905 4.320 -0.000 0.000 0.286 263 K C -0.530 176.079 176.600 0.015 0.000 1.053 263 K CA -0.209 56.085 56.287 0.012 0.000 0.940 263 K CB 0.760 33.266 32.500 0.010 0.000 1.019 263 K HN 0.530 nan 8.250 nan 0.000 0.475 264 R N 1.611 122.115 120.500 0.006 0.000 2.711 264 R HA 0.326 4.666 4.340 -0.000 0.000 0.284 264 R C -0.068 176.235 176.300 0.005 0.000 0.968 264 R CA -0.425 55.679 56.100 0.007 0.000 0.924 264 R CB 1.653 31.952 30.300 -0.001 0.000 1.162 264 R HN 0.869 nan 8.270 nan 0.000 0.465 265 G N 3.046 111.849 108.800 0.006 0.000 3.541 265 G HA2 0.041 4.001 3.960 -0.000 0.000 0.253 265 G HA3 0.041 4.001 3.960 -0.000 0.000 0.253 265 G C 0.247 175.149 174.900 0.003 0.000 1.017 265 G CA -0.080 45.023 45.100 0.005 0.000 1.832 265 G HN 0.715 nan 8.290 nan 0.000 0.649 266 E N -1.056 119.145 120.200 0.001 0.000 2.391 266 E HA 0.162 4.512 4.350 -0.000 0.000 0.206 266 E C 0.510 177.111 176.600 0.002 0.000 0.851 266 E CA 0.311 56.711 56.400 0.001 0.000 1.059 266 E CB 0.551 30.250 29.700 -0.002 0.000 1.065 266 E HN 0.182 nan 8.360 nan 0.000 0.512 267 S N -0.879 114.822 115.700 0.001 0.000 3.070 267 S HA 0.456 4.926 4.470 -0.000 0.000 0.320 267 S C 0.114 174.716 174.600 0.003 0.000 1.215 267 S CA 0.080 58.282 58.200 0.003 0.000 0.956 267 S CB 1.167 64.370 63.200 0.004 0.000 1.337 267 S HN 0.144 nan 8.310 nan 0.000 0.639 268 S N -0.944 114.759 115.700 0.004 0.000 2.917 268 S HA 0.229 4.699 4.470 -0.000 0.000 0.269 268 S C 1.651 176.253 174.600 0.005 0.000 1.072 268 S CA 0.953 59.155 58.200 0.004 0.000 0.967 268 S CB -0.771 62.432 63.200 0.006 0.000 0.906 268 S HN 0.761 nan 8.310 nan 0.000 0.463 269 G N 3.192 111.998 108.800 0.010 0.000 2.446 269 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.217 269 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.217 269 G C -0.233 174.668 174.900 0.002 0.000 1.168 269 G CA 1.370 46.480 45.100 0.016 0.000 0.771 269 G HN 0.595 nan 8.290 nan 0.000 0.551 270 P HA 0.036 nan 4.420 nan 0.000 0.225 270 P C 0.644 177.927 177.300 -0.029 0.000 1.156 270 P CA 0.918 64.000 63.100 -0.030 0.000 0.787 270 P CB 0.199 31.883 31.700 -0.026 0.000 0.802 271 D N 0.259 120.649 120.400 -0.016 0.000 2.117 271 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 271 D C 2.071 178.362 176.300 -0.015 0.000 0.982 271 D CA 1.071 55.063 54.000 -0.013 0.000 0.828 271 D CB -0.361 40.435 40.800 -0.006 0.000 0.967 271 D HN 0.042 nan 8.370 nan 0.000 0.464 272 V N 0.939 120.846 119.914 -0.013 0.000 2.626 272 V HA -0.156 3.964 4.120 -0.000 0.000 0.252 272 V C 2.523 178.604 176.094 -0.021 0.000 1.067 272 V CA 1.207 63.499 62.300 -0.013 0.000 1.081 272 V CB -0.297 31.523 31.823 -0.005 0.000 0.686 272 V HN 0.096 nan 8.190 nan 0.000 0.468 273 S N -0.367 115.313 115.700 -0.034 0.000 2.355 273 S HA -0.145 4.325 4.470 -0.000 0.000 0.222 273 S C 2.145 176.721 174.600 -0.040 0.000 1.031 273 S CA 1.398 59.566 58.200 -0.054 0.000 0.993 273 S CB -0.181 62.958 63.200 -0.101 0.000 0.859 273 S HN 0.532 nan 8.310 nan 0.000 0.453 274 R N 1.300 121.779 120.500 -0.035 0.000 2.070 274 R HA -0.032 4.308 4.340 -0.000 0.000 0.232 274 R C 2.329 178.619 176.300 -0.017 0.000 1.138 274 R CA 1.488 57.574 56.100 -0.023 0.000 0.936 274 R CB -0.337 29.950 30.300 -0.023 0.000 0.839 274 R HN 0.424 nan 8.270 nan 0.000 0.429 275 E N -0.272 119.918 120.200 -0.017 0.000 2.209 275 E HA -0.165 4.185 4.350 -0.000 0.000 0.196 275 E C 1.992 178.578 176.600 -0.024 0.000 0.993 275 E CA 1.131 57.521 56.400 -0.017 0.000 0.819 275 E CB -0.172 29.520 29.700 -0.014 0.000 0.745 275 E HN 0.552 nan 8.360 nan 0.000 0.477 276 G N 1.242 110.027 108.800 -0.024 0.000 2.404 276 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 276 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 276 G C 1.777 176.655 174.900 -0.038 0.000 1.174 276 G CA 0.785 45.867 45.100 -0.030 0.000 0.780 276 G HN 0.157 nan 8.290 nan 0.000 0.537 277 V N 0.528 120.429 119.914 -0.022 0.000 2.490 277 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 277 V C 2.802 178.865 176.094 -0.051 0.000 1.061 277 V CA 2.045 64.334 62.300 -0.019 0.000 1.064 277 V CB -0.674 31.183 31.823 0.057 0.000 0.670 277 V HN 0.409 nan 8.190 nan 0.000 0.461 278 Q N -0.439 119.338 119.800 -0.039 0.000 2.084 278 Q HA -0.154 4.186 4.340 -0.000 0.000 0.202 278 Q C 2.605 178.562 176.000 -0.072 0.000 0.978 278 Q CA 1.162 56.934 55.803 -0.051 0.000 0.844 278 Q CB -0.167 28.551 28.738 -0.033 0.000 0.898 278 Q HN 0.495 nan 8.270 nan 0.000 0.426 279 R N 0.731 121.192 120.500 -0.064 0.000 2.092 279 R HA -0.082 4.258 4.340 -0.000 0.000 0.231 279 R C 1.546 177.791 176.300 -0.091 0.000 1.119 279 R CA 1.025 57.083 56.100 -0.069 0.000 0.970 279 R CB -0.401 29.868 30.300 -0.053 0.000 0.864 279 R HN 0.344 nan 8.270 nan 0.000 0.440 280 D N 0.538 120.875 120.400 -0.105 0.000 2.178 280 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 280 D C 1.811 178.004 176.300 -0.179 0.000 0.974 280 D CA 0.772 54.687 54.000 -0.143 0.000 0.841 280 D CB 0.056 40.751 40.800 -0.174 0.000 0.953 280 D HN 0.043 nan 8.370 nan 0.000 0.478 281 L N 0.333 121.449 121.223 -0.178 0.000 2.313 281 L HA -0.023 4.317 4.340 -0.000 0.000 0.214 281 L C 2.031 178.780 176.870 -0.202 0.000 1.119 281 L CA 0.391 55.111 54.840 -0.201 0.000 0.809 281 L CB -0.248 41.706 42.059 -0.174 0.000 0.933 281 L HN -0.020 nan 8.230 nan 0.000 0.449 282 L N 0.583 121.711 121.223 -0.158 0.000 1.990 282 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 282 L C -0.418 176.363 176.870 -0.149 0.000 1.072 282 L CA 2.333 57.084 54.840 -0.148 0.000 0.755 282 L CB -1.644 40.352 42.059 -0.105 0.000 0.889 282 L HN 0.173 nan 8.230 nan 0.000 0.432 283 P HA -0.193 nan 4.420 nan 0.000 0.216 283 P C 2.108 179.343 177.300 -0.108 0.000 1.150 283 P CA 1.437 64.478 63.100 -0.100 0.000 0.843 283 P CB -0.061 31.590 31.700 -0.082 0.000 0.787 284 L N -0.901 120.238 121.223 -0.140 0.000 2.046 284 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 284 L C 2.242 178.978 176.870 -0.224 0.000 1.077 284 L CA 1.677 56.446 54.840 -0.118 0.000 0.747 284 L CB -1.106 40.881 42.059 -0.120 0.000 0.896 284 L HN -0.003 nan 8.230 nan 0.000 0.432 285 V N -4.405 115.235 119.914 -0.458 0.000 3.608 285 V HA 0.034 4.154 4.120 -0.000 0.000 0.269 285 V C 1.717 177.688 176.094 -0.206 0.000 1.245 285 V CA 0.695 62.681 62.300 -0.524 0.000 1.138 285 V CB 0.179 31.580 31.823 -0.704 0.000 0.841 285 V HN 0.371 nan 8.190 nan 0.000 0.451 286 E N 1.095 121.204 120.200 -0.152 0.000 2.364 286 E HA 0.423 4.773 4.350 -0.000 0.000 0.196 286 E C 0.943 177.500 176.600 -0.071 0.000 0.990 286 E CA 0.632 56.974 56.400 -0.096 0.000 0.886 286 E CB 0.573 30.221 29.700 -0.087 0.000 0.866 286 E HN 0.827 nan 8.360 nan 0.000 0.493 287 G N 0.822 109.584 108.800 -0.064 0.000 3.306 287 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.672 287 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.672 287 G C -0.513 174.365 174.900 -0.038 0.000 1.212 287 G CA -0.561 44.508 45.100 -0.052 0.000 1.150 287 G HN 0.353 nan 8.290 nan 0.000 0.509 288 C N -0.235 119.051 119.300 -0.024 0.000 3.293 288 C HA 0.957 5.417 4.460 -0.000 0.000 0.362 288 C C 0.094 175.079 174.990 -0.007 0.000 1.539 288 C CA -0.238 58.769 59.018 -0.019 0.000 1.201 288 C CB 1.604 29.327 27.740 -0.027 0.000 1.770 288 C HN 1.235 nan 8.230 nan 0.000 0.440 289 T N 1.434 115.984 114.554 -0.007 0.000 2.792 289 T HA 0.670 5.020 4.350 -0.000 0.000 0.280 289 T C -0.542 174.156 174.700 -0.003 0.000 0.990 289 T CA -0.219 61.880 62.100 -0.001 0.000 0.960 289 T CB 1.375 70.244 68.868 0.001 0.000 0.939 289 T HN 0.763 nan 8.240 nan 0.000 0.439 290 V N 2.353 122.267 119.914 0.001 0.000 2.815 290 V HA 0.532 4.652 4.120 -0.000 0.000 0.314 290 V C 0.137 176.233 176.094 0.004 0.000 1.064 290 V CA -0.815 61.484 62.300 -0.002 0.000 0.952 290 V CB 2.290 34.111 31.823 -0.003 0.000 1.020 290 V HN 0.881 nan 8.190 nan 0.000 0.439 291 S N 2.350 118.053 115.700 0.005 0.000 2.422 291 S HA 0.552 5.022 4.470 -0.000 0.000 0.298 291 S C 0.092 174.704 174.600 0.019 0.000 1.118 291 S CA -0.511 57.697 58.200 0.014 0.000 1.083 291 S CB 0.769 63.977 63.200 0.014 0.000 0.971 291 S HN 0.966 nan 8.310 nan 0.000 0.478 292 T N -0.181 114.391 114.554 0.031 0.000 2.888 292 T HA 0.422 4.772 4.350 -0.000 0.000 0.284 292 T C 0.460 175.227 174.700 0.111 0.000 1.017 292 T CA -1.164 60.962 62.100 0.042 0.000 1.022 292 T CB 1.169 70.038 68.868 0.001 0.000 1.013 292 T HN 0.559 nan 8.240 nan 0.000 0.465 293 K N 0.372 120.881 120.400 0.182 0.000 2.743 293 K HA 0.046 4.366 4.320 -0.000 0.000 0.219 293 K C -0.199 176.597 176.600 0.326 0.000 1.003 293 K CA 0.424 56.843 56.287 0.219 0.000 1.156 293 K CB -0.435 32.179 32.500 0.189 0.000 0.932 293 K HN 0.681 nan 8.250 nan 0.000 0.490 294 H N -0.989 118.087 119.070 0.010 0.000 3.540 294 H HA 0.298 4.854 4.556 -0.000 0.000 0.259 294 H C 0.533 175.867 175.328 0.010 0.000 1.197 294 H CA 0.188 56.243 56.048 0.011 0.000 1.136 294 H CB 1.784 31.554 29.762 0.012 0.000 1.605 294 H HN 0.487 nan 8.280 nan 0.000 0.657 295 G N 0.136 109.014 108.800 0.130 0.000 2.332 295 G HA2 0.128 4.088 3.960 -0.000 0.000 0.265 295 G HA3 0.128 4.088 3.960 -0.000 0.000 0.265 295 G C -1.525 173.405 174.900 0.051 0.000 1.329 295 G CA -0.782 44.362 45.100 0.072 0.000 0.949 295 G HN 0.047 nan 8.290 nan 0.000 0.476 296 M N 1.370 120.991 119.600 0.035 0.000 2.023 296 M HA 0.603 5.083 4.480 -0.000 0.000 0.325 296 M C -0.325 175.986 176.300 0.017 0.000 0.963 296 M CA -0.418 54.896 55.300 0.023 0.000 0.928 296 M CB 1.404 34.015 32.600 0.019 0.000 1.429 296 M HN 0.466 nan 8.290 nan 0.000 0.404 297 V N 3.654 123.576 119.914 0.013 0.000 2.607 297 V HA 0.406 4.526 4.120 -0.000 0.000 0.289 297 V C -0.083 176.016 176.094 0.008 0.000 1.053 297 V CA -0.688 61.616 62.300 0.007 0.000 0.996 297 V CB 1.393 33.215 31.823 -0.001 0.000 0.995 297 V HN 0.670 nan 8.190 nan 0.000 0.476 298 K N 2.154 122.559 120.400 0.009 0.000 2.339 298 K HA 0.347 4.667 4.320 -0.000 0.000 0.264 298 K C 0.988 177.598 176.600 0.018 0.000 0.986 298 K CA 0.010 56.305 56.287 0.012 0.000 0.866 298 K CB 1.362 33.872 32.500 0.016 0.000 1.103 298 K HN 0.855 nan 8.250 nan 0.000 0.441 299 T N -0.165 114.404 114.554 0.025 0.000 3.085 299 T HA -0.040 4.310 4.350 -0.000 0.000 0.263 299 T C 0.625 175.349 174.700 0.039 0.000 1.127 299 T CA 0.824 62.961 62.100 0.061 0.000 1.103 299 T CB -0.217 68.726 68.868 0.126 0.000 0.921 299 T HN 0.618 nan 8.240 nan 0.000 0.510 300 D N 1.408 121.774 120.400 -0.057 0.000 2.347 300 D HA -0.164 4.476 4.640 -0.000 0.000 0.208 300 D C 1.118 177.122 176.300 -0.494 0.000 0.994 300 D CA 1.193 55.044 54.000 -0.248 0.000 0.924 300 D CB -0.206 40.390 40.800 -0.340 0.000 0.892 300 D HN 0.627 nan 8.370 nan 0.000 0.471 301 H N -1.236 117.846 119.070 0.020 0.000 2.885 301 H HA 0.190 4.746 4.556 -0.000 0.000 0.254 301 H C 0.290 175.601 175.328 -0.029 0.000 1.185 301 H CA -0.419 55.627 56.048 -0.004 0.000 1.029 301 H CB 0.763 30.492 29.762 -0.056 0.000 1.743 301 H HN 0.069 nan 8.280 nan 0.000 0.632 302 I N 2.001 122.587 120.570 0.027 0.000 2.575 302 I HA -0.002 4.168 4.170 -0.000 0.000 0.285 302 I C 0.538 176.524 176.117 -0.218 0.000 1.085 302 I CA -0.595 60.602 61.300 -0.171 0.000 1.403 302 I CB 1.196 38.968 38.000 -0.380 0.000 1.409 302 I HN 0.004 nan 8.210 nan 0.000 0.557 303 L N 6.798 127.874 121.223 -0.244 0.000 2.292 303 L HA 0.475 4.815 4.340 -0.000 0.000 0.284 303 L C -1.157 175.563 176.870 -0.250 0.000 1.065 303 L CA 0.269 55.054 54.840 -0.091 0.000 0.806 303 L CB 0.569 42.642 42.059 0.023 0.000 1.175 303 L HN 0.218 nan 8.230 nan 0.000 0.431 304 F N 5.788 125.782 119.950 0.073 0.000 2.444 304 F HA 0.543 5.070 4.527 -0.000 0.000 0.342 304 F C -0.005 175.847 175.800 0.086 0.000 1.121 304 F CA -0.479 57.560 58.000 0.066 0.000 0.997 304 F CB 1.414 40.428 39.000 0.023 0.000 1.130 304 F HN 0.248 nan 8.300 nan 0.000 0.454 305 I N 3.667 124.404 120.570 0.278 0.000 2.390 305 I HA 0.501 4.671 4.170 -0.000 0.000 0.283 305 I C -0.095 176.051 176.117 0.049 0.000 1.016 305 I CA -0.621 60.823 61.300 0.240 0.000 1.151 305 I CB 1.100 39.355 38.000 0.424 0.000 1.293 305 I HN 0.670 nan 8.210 nan 0.000 0.458 306 A N 4.596 127.426 122.820 0.016 0.000 2.279 306 A HA 0.764 5.084 4.320 -0.000 0.000 0.303 306 A C -0.147 177.342 177.584 -0.158 0.000 1.108 306 A CA -0.339 51.631 52.037 -0.111 0.000 0.830 306 A CB 1.391 20.387 19.000 -0.006 0.000 1.106 306 A HN 0.583 nan 8.150 nan 0.000 0.493 307 S N -0.769 114.786 115.700 -0.242 0.000 2.541 307 S HA 0.775 5.245 4.470 -0.000 0.000 0.280 307 S C -0.283 174.281 174.600 -0.060 0.000 1.112 307 S CA 0.185 58.315 58.200 -0.118 0.000 0.925 307 S CB 1.454 64.510 63.200 -0.239 0.000 1.067 307 S HN 1.870 nan 8.310 nan 0.000 0.479 308 G N 0.939 109.758 108.800 0.033 0.000 2.682 308 G HA2 0.698 4.658 3.960 -0.000 0.000 0.290 308 G HA3 0.698 4.658 3.960 -0.000 0.000 0.290 308 G C 0.043 174.893 174.900 -0.083 0.000 1.425 308 G CA -0.035 44.926 45.100 -0.231 0.000 0.807 308 G HN 1.052 nan 8.290 nan 0.000 0.482 309 A N -1.284 121.389 122.820 -0.246 0.000 1.999 309 A HA 0.609 4.929 4.320 -0.000 0.000 0.200 309 A C 0.609 178.248 177.584 0.092 0.000 1.363 309 A CA 0.430 52.450 52.037 -0.029 0.000 0.844 309 A CB -0.282 18.681 19.000 -0.061 0.000 0.954 309 A HN 1.340 nan 8.150 nan 0.000 0.481 310 F N -0.665 119.288 119.950 0.005 0.000 2.905 310 F HA -0.203 4.324 4.527 0.000 0.000 0.291 310 F C 1.121 176.923 175.800 0.002 0.000 1.002 310 F CA 0.904 58.905 58.000 0.002 0.000 0.978 310 F CB -1.754 37.248 39.000 0.004 0.000 1.036 310 F HN 0.342 nan 8.300 nan 0.000 0.820 311 Q N 0.842 120.690 119.800 0.080 0.000 2.304 311 Q HA 0.120 4.460 4.340 -0.000 0.000 0.204 311 Q C 2.275 178.306 176.000 0.052 0.000 0.936 311 Q CA 1.415 57.253 55.803 0.058 0.000 0.878 311 Q CB 0.138 28.887 28.738 0.019 0.000 0.983 311 Q HN 0.615 nan 8.270 nan 0.000 0.516 312 I N -1.806 118.783 120.570 0.032 0.000 2.364 312 I HA 0.295 4.465 4.170 -0.000 0.000 0.241 312 I C 0.911 177.067 176.117 0.065 0.000 1.082 312 I CA 0.872 62.189 61.300 0.029 0.000 1.401 312 I CB -1.606 36.392 38.000 -0.004 0.000 1.126 312 I HN -0.028 nan 8.210 nan 0.000 0.429 313 A N 1.153 124.035 122.820 0.105 0.000 2.261 313 A HA 0.697 5.017 4.320 -0.000 0.000 0.323 313 A C -0.208 177.592 177.584 0.361 0.000 1.107 313 A CA -0.559 51.591 52.037 0.187 0.000 0.883 313 A CB 0.934 20.040 19.000 0.177 0.000 1.251 313 A HN 0.380 nan 8.150 nan 0.000 0.502 314 K N 0.056 120.607 120.400 0.251 0.000 2.375 314 K HA 0.419 4.739 4.320 -0.000 0.000 0.249 314 K C -2.328 174.193 176.600 -0.131 0.000 0.942 314 K CA -1.799 54.518 56.287 0.049 0.000 0.806 314 K CB 2.091 34.584 32.500 -0.013 0.000 1.227 314 K HN 0.217 nan 8.250 nan 0.000 0.430 315 P HA -0.285 nan 4.420 nan 0.000 0.218 315 P C 0.779 177.981 177.300 -0.164 0.000 1.150 315 P CA 1.494 64.288 63.100 -0.510 0.000 0.841 315 P CB 0.135 31.489 31.700 -0.577 0.000 0.784 316 S N -2.590 113.039 115.700 -0.119 0.000 2.607 316 S HA -0.041 4.429 4.470 -0.000 0.000 0.224 316 S C 1.378 175.967 174.600 -0.018 0.000 0.969 316 S CA 0.595 58.760 58.200 -0.058 0.000 0.927 316 S CB -0.692 62.478 63.200 -0.051 0.000 0.772 316 S HN 0.072 nan 8.310 nan 0.000 0.533 317 D N 0.688 121.094 120.400 0.010 0.000 2.333 317 D HA 0.207 4.847 4.640 -0.000 0.000 0.208 317 D C 0.406 176.729 176.300 0.039 0.000 0.984 317 D CA 0.000 54.022 54.000 0.036 0.000 0.873 317 D CB -0.087 40.756 40.800 0.071 0.000 0.935 317 D HN 0.278 nan 8.370 nan 0.000 0.521 318 L N 1.698 122.946 121.223 0.042 0.000 2.483 318 L HA 0.100 4.440 4.340 -0.000 0.000 0.275 318 L C 0.933 177.805 176.870 0.004 0.000 1.220 318 L CA -0.198 54.663 54.840 0.034 0.000 0.833 318 L CB 0.017 42.093 42.059 0.028 0.000 1.102 318 L HN 0.062 nan 8.230 nan 0.000 0.490 319 I N 0.399 120.966 120.570 -0.005 0.000 2.836 319 I HA 0.122 4.292 4.170 -0.000 0.000 0.285 319 I C -1.556 174.548 176.117 -0.022 0.000 1.174 319 I CA -1.347 59.944 61.300 -0.015 0.000 1.405 319 I CB -0.260 37.727 38.000 -0.023 0.000 1.385 319 I HN 0.462 nan 8.210 nan 0.000 0.594 320 P HA -0.203 nan 4.420 nan 0.000 0.215 320 P C 1.120 178.403 177.300 -0.030 0.000 1.163 320 P CA 1.726 64.812 63.100 -0.024 0.000 0.894 320 P CB 0.094 31.782 31.700 -0.021 0.000 0.791 321 E N -1.258 118.921 120.200 -0.034 0.000 2.160 321 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 321 E C 1.823 178.392 176.600 -0.053 0.000 0.991 321 E CA 0.782 57.156 56.400 -0.042 0.000 0.810 321 E CB -0.897 28.775 29.700 -0.047 0.000 0.742 321 E HN 0.132 nan 8.360 nan 0.000 0.466 322 L N 0.428 121.620 121.223 -0.052 0.000 2.127 322 L HA -0.080 4.260 4.340 -0.000 0.000 0.203 322 L C 1.964 178.807 176.870 -0.046 0.000 1.080 322 L CA 1.621 56.425 54.840 -0.061 0.000 0.768 322 L CB -0.295 41.731 42.059 -0.054 0.000 0.924 322 L HN 0.046 nan 8.230 nan 0.000 0.444 323 Q N -0.894 118.885 119.800 -0.035 0.000 2.135 323 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 323 Q C 2.068 178.050 176.000 -0.030 0.000 0.981 323 Q CA 1.505 57.288 55.803 -0.033 0.000 0.856 323 Q CB -0.561 28.156 28.738 -0.034 0.000 0.902 323 Q HN 0.665 nan 8.270 nan 0.000 0.425 324 G N 0.736 109.518 108.800 -0.030 0.000 2.446 324 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 324 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 324 G C 1.391 176.277 174.900 -0.023 0.000 1.168 324 G CA 0.367 45.452 45.100 -0.025 0.000 0.771 324 G HN 0.111 nan 8.290 nan 0.000 0.551 325 R N -0.557 119.921 120.500 -0.037 0.000 2.323 325 R HA 0.169 4.509 4.340 -0.000 0.000 0.198 325 R C 0.176 176.464 176.300 -0.020 0.000 0.988 325 R CA 0.017 56.094 56.100 -0.039 0.000 1.041 325 R CB -0.200 30.049 30.300 -0.084 0.000 0.926 325 R HN 0.247 nan 8.270 nan 0.000 0.476 326 L N 2.053 123.268 121.223 -0.014 0.000 3.030 326 L HA 0.244 4.584 4.340 -0.000 0.000 0.252 326 L C -1.447 175.428 176.870 0.009 0.000 1.316 326 L CA -1.952 52.892 54.840 0.006 0.000 0.975 326 L CB 1.141 43.198 42.059 -0.003 0.000 1.357 326 L HN -0.109 nan 8.230 nan 0.000 0.534 327 P HA -0.177 nan 4.420 nan 0.000 0.216 327 P C 0.689 178.000 177.300 0.019 0.000 1.154 327 P CA 1.270 64.380 63.100 0.016 0.000 0.865 327 P CB 0.453 32.168 31.700 0.025 0.000 0.789 328 I N 1.186 121.776 120.570 0.034 0.000 2.371 328 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 328 I C 0.907 177.042 176.117 0.031 0.000 1.028 328 I CA -0.447 60.875 61.300 0.037 0.000 1.345 328 I CB 0.328 38.361 38.000 0.056 0.000 1.407 328 I HN -0.049 nan 8.210 nan 0.000 0.501 329 R N 5.178 125.689 120.500 0.018 0.000 2.534 329 R HA 0.722 5.062 4.340 -0.000 0.000 0.301 329 R C -1.010 175.302 176.300 0.021 0.000 0.961 329 R CA -0.856 55.247 56.100 0.006 0.000 0.871 329 R CB 2.550 32.833 30.300 -0.028 0.000 1.170 329 R HN 0.417 nan 8.270 nan 0.000 0.446 330 V N 2.101 122.037 119.914 0.037 0.000 2.851 330 V HA 0.383 4.503 4.120 -0.000 0.000 0.307 330 V C -0.896 175.233 176.094 0.058 0.000 1.129 330 V CA -0.636 61.692 62.300 0.047 0.000 0.932 330 V CB 2.569 34.429 31.823 0.061 0.000 1.024 330 V HN 0.750 nan 8.190 nan 0.000 0.426 331 E N 4.429 124.660 120.200 0.052 0.000 2.222 331 E HA 0.653 5.003 4.350 -0.000 0.000 0.272 331 E C -1.587 175.055 176.600 0.069 0.000 0.982 331 E CA -0.774 55.664 56.400 0.063 0.000 0.842 331 E CB 2.307 32.036 29.700 0.049 0.000 1.144 331 E HN 0.463 nan 8.360 nan 0.000 0.397 332 L N 2.154 123.425 121.223 0.080 0.000 2.362 332 L HA 0.237 4.577 4.340 -0.000 0.000 0.271 332 L C -0.175 176.739 176.870 0.073 0.000 1.002 332 L CA -0.787 54.100 54.840 0.078 0.000 0.818 332 L CB 1.635 43.749 42.059 0.091 0.000 1.298 332 L HN 0.339 nan 8.230 nan 0.000 0.420 333 Q N 1.269 121.108 119.800 0.066 0.000 2.318 333 Q HA 0.633 4.973 4.340 -0.000 0.000 0.222 333 Q C -0.107 175.936 176.000 0.072 0.000 1.003 333 Q CA -0.503 55.337 55.803 0.063 0.000 0.936 333 Q CB 1.151 29.922 28.738 0.055 0.000 1.204 333 Q HN 0.716 nan 8.270 nan 0.000 0.524 334 A N 0.948 123.809 122.820 0.069 0.000 2.313 334 A HA 0.455 4.775 4.320 -0.000 0.000 0.261 334 A C -0.166 177.473 177.584 0.091 0.000 1.090 334 A CA -0.410 51.671 52.037 0.074 0.000 0.807 334 A CB 0.164 19.199 19.000 0.058 0.000 1.055 334 A HN 0.605 nan 8.150 nan 0.000 0.492 335 L N 0.750 122.040 121.223 0.112 0.000 2.375 335 L HA 0.459 4.799 4.340 -0.000 0.000 0.271 335 L C 0.993 177.894 176.870 0.052 0.000 1.107 335 L CA -0.403 54.510 54.840 0.122 0.000 0.806 335 L CB 1.535 43.768 42.059 0.291 0.000 1.146 335 L HN 0.933 nan 8.230 nan 0.000 0.447 336 T N -3.261 111.289 114.554 -0.006 0.000 2.952 336 T HA 0.234 4.584 4.350 -0.000 0.000 0.286 336 T C 1.054 175.580 174.700 -0.289 0.000 1.024 336 T CA -0.441 61.597 62.100 -0.104 0.000 1.029 336 T CB 1.484 70.285 68.868 -0.112 0.000 1.094 336 T HN 0.644 nan 8.240 nan 0.000 0.515 337 T N 0.834 115.114 114.554 -0.457 0.000 2.778 337 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 337 T C 2.135 176.778 174.700 -0.095 0.000 1.050 337 T CA 1.669 63.563 62.100 -0.343 0.000 1.137 337 T CB -0.688 67.889 68.868 -0.485 0.000 0.860 337 T HN 0.593 nan 8.240 nan 0.000 0.468 338 S N 1.236 116.870 115.700 -0.110 0.000 2.383 338 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 338 S C 1.869 176.495 174.600 0.044 0.000 1.026 338 S CA 0.950 59.131 58.200 -0.031 0.000 0.981 338 S CB -0.388 62.781 63.200 -0.052 0.000 0.818 338 S HN 0.491 nan 8.310 nan 0.000 0.472 339 D N 0.711 121.152 120.400 0.067 0.000 2.144 339 D HA -0.029 4.611 4.640 -0.000 0.000 0.200 339 D C 1.546 178.017 176.300 0.285 0.000 0.978 339 D CA 0.806 54.894 54.000 0.147 0.000 0.833 339 D CB -0.275 40.620 40.800 0.158 0.000 0.961 339 D HN 0.266 nan 8.370 nan 0.000 0.470 340 F N 1.718 121.690 119.950 0.037 0.000 2.134 340 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 340 F C 2.349 178.152 175.800 0.005 0.000 1.097 340 F CA 0.739 58.759 58.000 0.034 0.000 1.264 340 F CB -0.751 38.292 39.000 0.071 0.000 1.001 340 F HN 0.027 nan 8.300 nan 0.000 0.479 341 E N -0.284 120.036 120.200 0.200 0.000 2.031 341 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 341 E C 2.330 178.957 176.600 0.046 0.000 0.994 341 E CA 1.220 57.671 56.400 0.086 0.000 0.800 341 E CB -0.231 29.500 29.700 0.052 0.000 0.752 341 E HN 0.338 nan 8.360 nan 0.000 0.447 342 R N 0.460 120.994 120.500 0.055 0.000 2.091 342 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 342 R C 2.412 178.724 176.300 0.020 0.000 1.136 342 R CA 1.147 57.265 56.100 0.031 0.000 0.959 342 R CB -0.358 29.964 30.300 0.036 0.000 0.856 342 R HN 0.244 nan 8.270 nan 0.000 0.437 343 I N 0.588 121.183 120.570 0.041 0.000 2.394 343 I HA -0.242 3.928 4.170 -0.000 0.000 0.251 343 I C 1.895 177.997 176.117 -0.025 0.000 1.136 343 I CA 0.611 61.919 61.300 0.014 0.000 1.425 343 I CB -0.143 37.863 38.000 0.011 0.000 1.079 343 I HN 0.135 nan 8.210 nan 0.000 0.425 344 L N 0.561 121.757 121.223 -0.044 0.000 2.127 344 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 344 L C 2.394 179.193 176.870 -0.118 0.000 1.089 344 L CA 2.527 57.308 54.840 -0.097 0.000 0.757 344 L CB -1.415 40.574 42.059 -0.117 0.000 0.899 344 L HN 0.472 nan 8.230 nan 0.000 0.434 345 T N -7.602 106.905 114.554 -0.079 0.000 3.010 345 T HA 0.104 4.454 4.350 -0.000 0.000 0.253 345 T C 1.462 176.133 174.700 -0.048 0.000 0.939 345 T CA -0.197 61.857 62.100 -0.076 0.000 0.910 345 T CB 0.227 69.052 68.868 -0.072 0.000 1.226 345 T HN 0.135 nan 8.240 nan 0.000 0.508 346 E N 1.995 122.173 120.200 -0.037 0.000 2.028 346 E HA 0.075 4.425 4.350 -0.000 0.000 0.191 346 E C -1.539 175.027 176.600 -0.056 0.000 0.988 346 E CA 0.445 56.822 56.400 -0.038 0.000 0.799 346 E CB -1.207 28.476 29.700 -0.028 0.000 0.755 346 E HN 0.433 nan 8.360 nan 0.000 0.447 347 P HA -0.090 nan 4.420 nan 0.000 0.269 347 P C -0.730 176.513 177.300 -0.095 0.000 1.205 347 P CA 0.568 63.619 63.100 -0.081 0.000 0.780 347 P CB 0.270 31.955 31.700 -0.026 0.000 0.858 348 N N 1.139 119.734 118.700 -0.175 0.000 2.497 348 N HA 0.298 5.038 4.740 -0.000 0.000 0.268 348 N C -0.009 175.490 175.510 -0.019 0.000 1.171 348 N CA 0.075 53.053 53.050 -0.119 0.000 0.948 348 N CB 0.113 38.484 38.487 -0.194 0.000 1.069 348 N HN 0.522 nan 8.380 nan 0.000 0.460 349 A N 1.280 124.095 122.820 -0.007 0.000 2.519 349 A HA -0.183 4.137 4.320 -0.000 0.000 0.297 349 A C 0.564 178.152 177.584 0.007 0.000 1.472 349 A CA 0.567 52.609 52.037 0.008 0.000 0.739 349 A CB -2.162 16.854 19.000 0.027 0.000 1.096 349 A HN 0.687 nan 8.150 nan 0.000 0.414 350 S N 0.926 116.621 115.700 -0.009 0.000 2.617 350 S HA 0.600 5.070 4.470 -0.000 0.000 0.269 350 S C 1.740 176.332 174.600 -0.013 0.000 1.292 350 S CA -0.424 57.767 58.200 -0.014 0.000 1.010 350 S CB 0.783 63.961 63.200 -0.037 0.000 0.944 350 S HN 1.479 nan 8.310 nan 0.000 0.536 351 I N -0.806 119.760 120.570 -0.007 0.000 2.248 351 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 351 I C 1.912 178.056 176.117 0.046 0.000 1.107 351 I CA 1.872 63.188 61.300 0.026 0.000 1.373 351 I CB -2.755 35.281 38.000 0.061 0.000 1.055 351 I HN 0.654 nan 8.210 nan 0.000 0.418 352 T N 1.588 116.089 114.554 -0.088 0.000 2.746 352 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 352 T C 2.233 176.929 174.700 -0.006 0.000 1.039 352 T CA 1.653 63.613 62.100 -0.233 0.000 1.142 352 T CB -0.213 68.348 68.868 -0.512 0.000 0.866 352 T HN 0.240 nan 8.240 nan 0.000 0.444 353 V N 1.281 121.194 119.914 -0.001 0.000 2.295 353 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 353 V C 2.584 178.716 176.094 0.063 0.000 1.049 353 V CA 1.737 64.061 62.300 0.041 0.000 1.024 353 V CB -0.558 31.271 31.823 0.009 0.000 0.648 353 V HN 0.537 nan 8.190 nan 0.000 0.447 354 Q N -1.444 118.383 119.800 0.044 0.000 2.061 354 Q HA -0.265 4.075 4.340 -0.000 0.000 0.204 354 Q C 2.193 178.204 176.000 0.019 0.000 0.984 354 Q CA 2.386 58.197 55.803 0.012 0.000 0.846 354 Q CB -0.343 28.385 28.738 -0.017 0.000 0.902 354 Q HN 0.694 nan 8.270 nan 0.000 0.421 355 Y N 1.289 121.611 120.300 0.036 0.000 2.114 355 Y HA -0.293 4.257 4.550 -0.000 0.000 0.282 355 Y C 2.432 178.387 175.900 0.092 0.000 1.165 355 Y CA 1.749 59.897 58.100 0.080 0.000 1.148 355 Y CB -0.016 38.535 38.460 0.152 0.000 0.972 355 Y HN -0.017 nan 8.280 nan 0.000 0.504 356 K N -0.391 120.186 120.400 0.296 0.000 2.044 356 K HA -0.269 4.051 4.320 -0.000 0.000 0.210 356 K C 2.262 178.914 176.600 0.087 0.000 1.049 356 K CA 1.289 57.693 56.287 0.194 0.000 0.927 356 K CB -0.406 32.202 32.500 0.181 0.000 0.713 356 K HN 0.342 nan 8.250 nan 0.000 0.443 357 A N 1.295 124.147 122.820 0.054 0.000 1.851 357 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 357 A C 2.157 179.730 177.584 -0.017 0.000 1.195 357 A CA 1.601 53.644 52.037 0.010 0.000 0.622 357 A CB -0.854 18.144 19.000 -0.003 0.000 0.831 357 A HN 0.310 nan 8.150 nan 0.000 0.444 358 L N -1.074 120.116 121.223 -0.055 0.000 2.043 358 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 358 L C 2.802 179.636 176.870 -0.060 0.000 1.075 358 L CA 1.389 56.172 54.840 -0.096 0.000 0.752 358 L CB -0.414 41.516 42.059 -0.215 0.000 0.891 358 L HN 0.371 nan 8.230 nan 0.000 0.432 359 M N -1.045 118.543 119.600 -0.020 0.000 2.229 359 M HA -0.105 4.375 4.480 -0.000 0.000 0.264 359 M C 2.522 178.820 176.300 -0.002 0.000 1.063 359 M CA 1.598 56.903 55.300 0.008 0.000 1.114 359 M CB -1.319 31.314 32.600 0.055 0.000 1.387 359 M HN 0.290 nan 8.290 nan 0.000 0.420 360 A N -0.080 122.739 122.820 -0.001 0.000 1.933 360 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 360 A C 2.270 179.846 177.584 -0.014 0.000 1.175 360 A CA 2.090 54.123 52.037 -0.005 0.000 0.628 360 A CB -1.139 17.861 19.000 -0.001 0.000 0.814 360 A HN 0.453 nan 8.150 nan 0.000 0.444 361 T N -0.478 114.064 114.554 -0.021 0.000 2.822 361 T HA -0.137 4.213 4.350 -0.000 0.000 0.270 361 T C 1.516 176.202 174.700 -0.024 0.000 1.064 361 T CA 1.869 63.954 62.100 -0.025 0.000 1.131 361 T CB -0.162 68.685 68.868 -0.034 0.000 0.858 361 T HN 0.530 nan 8.240 nan 0.000 0.483 362 E N -0.234 119.953 120.200 -0.023 0.000 2.463 362 E HA 0.315 4.665 4.350 -0.000 0.000 0.193 362 E C 1.267 177.855 176.600 -0.019 0.000 1.041 362 E CA 0.221 56.607 56.400 -0.023 0.000 0.879 362 E CB -0.295 29.391 29.700 -0.023 0.000 0.997 362 E HN 0.412 nan 8.360 nan 0.000 0.478 363 G N 0.052 108.842 108.800 -0.016 0.000 2.176 363 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.252 363 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.252 363 G C -0.029 174.863 174.900 -0.014 0.000 1.024 363 G CA 0.476 45.567 45.100 -0.014 0.000 0.755 363 G HN 0.168 nan 8.290 nan 0.000 0.507 364 V N 0.207 120.113 119.914 -0.013 0.000 2.417 364 V HA 0.506 4.626 4.120 -0.000 0.000 0.291 364 V C 0.222 176.305 176.094 -0.018 0.000 1.024 364 V CA -0.969 61.322 62.300 -0.016 0.000 0.861 364 V CB 1.823 33.637 31.823 -0.014 0.000 0.985 364 V HN 0.370 nan 8.190 nan 0.000 0.436 365 N N 3.963 122.647 118.700 -0.027 0.000 2.437 365 N HA 0.394 5.134 4.740 -0.000 0.000 0.243 365 N C -0.871 174.602 175.510 -0.061 0.000 1.041 365 N CA -0.227 52.805 53.050 -0.030 0.000 0.940 365 N CB 0.663 39.134 38.487 -0.027 0.000 1.133 365 N HN 0.599 nan 8.380 nan 0.000 0.506 366 I N 2.219 122.751 120.570 -0.064 0.000 2.499 366 I HA 0.407 4.577 4.170 -0.000 0.000 0.296 366 I C -0.270 175.747 176.117 -0.167 0.000 0.992 366 I CA -0.315 60.893 61.300 -0.154 0.000 1.297 366 I CB 1.412 39.333 38.000 -0.133 0.000 1.410 366 I HN 0.495 nan 8.210 nan 0.000 0.507 367 E N 4.629 124.641 120.200 -0.313 0.000 2.290 367 E HA 0.479 4.829 4.350 -0.000 0.000 0.274 367 E C -1.773 174.610 176.600 -0.362 0.000 0.889 367 E CA -0.350 55.925 56.400 -0.208 0.000 0.760 367 E CB 1.141 30.774 29.700 -0.111 0.000 1.206 367 E HN 0.222 nan 8.360 nan 0.000 0.419 368 F N 1.786 121.704 119.950 -0.054 0.000 2.444 368 F HA 0.382 4.909 4.527 -0.000 0.000 0.342 368 F C 0.825 176.606 175.800 -0.032 0.000 1.121 368 F CA -0.718 57.249 58.000 -0.055 0.000 0.997 368 F CB 1.758 40.728 39.000 -0.049 0.000 1.130 368 F HN 0.276 nan 8.300 nan 0.000 0.454 369 T N -1.504 113.122 114.554 0.119 0.000 2.899 369 T HA 0.167 4.517 4.350 -0.000 0.000 0.284 369 T C 0.880 175.634 174.700 0.090 0.000 1.004 369 T CA -0.818 61.329 62.100 0.078 0.000 1.043 369 T CB 1.099 69.992 68.868 0.042 0.000 1.013 369 T HN 0.490 nan 8.240 nan 0.000 0.518 370 D N 1.443 121.879 120.400 0.060 0.000 2.158 370 D HA -0.098 4.542 4.640 -0.000 0.000 0.197 370 D C 2.149 178.479 176.300 0.049 0.000 0.995 370 D CA 1.368 55.397 54.000 0.048 0.000 0.846 370 D CB -0.376 40.442 40.800 0.030 0.000 0.941 370 D HN 0.587 nan 8.370 nan 0.000 0.456 371 S N -0.193 115.537 115.700 0.050 0.000 2.436 371 S HA 0.003 4.473 4.470 -0.000 0.000 0.228 371 S C 2.034 176.675 174.600 0.068 0.000 1.014 371 S CA 0.827 59.056 58.200 0.049 0.000 0.950 371 S CB -0.143 63.082 63.200 0.041 0.000 0.784 371 S HN 0.406 nan 8.310 nan 0.000 0.504 372 G N 2.008 110.862 108.800 0.090 0.000 2.404 372 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.215 372 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.215 372 G C 1.313 176.289 174.900 0.127 0.000 1.174 372 G CA 0.530 45.704 45.100 0.122 0.000 0.780 372 G HN 0.463 nan 8.290 nan 0.000 0.537 373 I N 0.492 121.131 120.570 0.115 0.000 2.226 373 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 373 I C 2.722 178.871 176.117 0.053 0.000 1.100 373 I CA 1.414 62.747 61.300 0.056 0.000 1.374 373 I CB -0.251 37.754 38.000 0.009 0.000 1.057 373 I HN 0.187 nan 8.210 nan 0.000 0.413 374 K N 1.029 121.461 120.400 0.053 0.000 2.103 374 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 374 K C 2.270 178.905 176.600 0.059 0.000 1.048 374 K CA 1.572 57.886 56.287 0.045 0.000 0.930 374 K CB 0.006 32.523 32.500 0.029 0.000 0.716 374 K HN 0.093 nan 8.250 nan 0.000 0.444 375 R N 0.155 120.697 120.500 0.070 0.000 2.119 375 R HA 0.124 4.464 4.340 -0.000 0.000 0.222 375 R C 2.126 178.486 176.300 0.100 0.000 1.088 375 R CA 0.698 56.847 56.100 0.082 0.000 0.984 375 R CB 0.005 30.355 30.300 0.083 0.000 0.884 375 R HN 0.212 nan 8.270 nan 0.000 0.447 376 I N 0.030 120.658 120.570 0.097 0.000 2.179 376 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 376 I C 2.344 178.532 176.117 0.118 0.000 1.088 376 I CA 1.363 62.717 61.300 0.089 0.000 1.357 376 I CB -0.385 37.644 38.000 0.048 0.000 1.051 376 I HN 0.236 nan 8.210 nan 0.000 0.409 377 A N 0.368 123.272 122.820 0.140 0.000 1.877 377 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 377 A C 2.195 179.969 177.584 0.317 0.000 1.186 377 A CA 1.871 54.070 52.037 0.271 0.000 0.620 377 A CB -0.674 18.473 19.000 0.245 0.000 0.822 377 A HN 0.411 nan 8.150 nan 0.000 0.443 378 E N -0.424 119.887 120.200 0.185 0.000 2.049 378 E HA -0.181 4.169 4.350 -0.000 0.000 0.198 378 E C 2.332 179.069 176.600 0.229 0.000 1.007 378 E CA 1.321 57.818 56.400 0.161 0.000 0.809 378 E CB -0.308 29.444 29.700 0.086 0.000 0.749 378 E HN 0.614 nan 8.360 nan 0.000 0.450 379 A N 1.118 124.049 122.820 0.185 0.000 1.865 379 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 379 A C 2.399 180.102 177.584 0.199 0.000 1.191 379 A CA 2.001 54.138 52.037 0.166 0.000 0.623 379 A CB -0.959 18.116 19.000 0.126 0.000 0.826 379 A HN 0.348 nan 8.150 nan 0.000 0.444 380 A N -1.210 121.752 122.820 0.236 0.000 1.917 380 A HA -0.243 4.077 4.320 -0.000 0.000 0.219 380 A C 2.117 179.928 177.584 0.377 0.000 1.182 380 A CA 1.688 53.885 52.037 0.267 0.000 0.633 380 A CB -0.962 18.185 19.000 0.245 0.000 0.819 380 A HN 0.912 nan 8.150 nan 0.000 0.448 381 W N 0.314 121.763 121.300 0.249 0.000 2.381 381 W HA -0.147 4.513 4.660 0.000 0.000 0.301 381 W C 2.005 178.551 176.519 0.045 0.000 1.205 381 W CA 2.022 59.412 57.345 0.074 0.000 1.285 381 W CB -0.448 28.962 29.460 -0.083 0.000 1.133 381 W HN 0.376 nan 8.180 nan 0.000 0.521 382 Q N 0.826 120.807 119.800 0.301 0.000 1.975 382 Q HA -0.184 4.156 4.340 -0.000 0.000 0.205 382 Q C 2.342 178.358 176.000 0.026 0.000 0.990 382 Q CA 2.464 58.374 55.803 0.178 0.000 0.845 382 Q CB -1.122 27.720 28.738 0.174 0.000 0.913 382 Q HN 0.224 nan 8.270 nan 0.000 0.420 383 V N 1.386 121.328 119.914 0.046 0.000 2.282 383 V HA -0.319 3.801 4.120 -0.000 0.000 0.249 383 V C 2.040 178.105 176.094 -0.048 0.000 1.057 383 V CA 2.194 64.502 62.300 0.012 0.000 1.032 383 V CB -0.845 30.999 31.823 0.035 0.000 0.645 383 V HN 0.443 nan 8.190 nan 0.000 0.447 384 N N -0.649 117.998 118.700 -0.088 0.000 2.166 384 N HA -0.202 4.538 4.740 -0.000 0.000 0.186 384 N C 2.031 177.391 175.510 -0.250 0.000 1.019 384 N CA 1.085 54.038 53.050 -0.161 0.000 0.856 384 N CB -0.077 38.298 38.487 -0.186 0.000 0.993 384 N HN 0.423 nan 8.380 nan 0.000 0.426 385 E N 0.557 120.544 120.200 -0.355 0.000 2.112 385 E HA -0.084 4.266 4.350 -0.000 0.000 0.190 385 E C 2.013 178.531 176.600 -0.137 0.000 0.979 385 E CA 0.879 57.089 56.400 -0.317 0.000 0.814 385 E CB 0.013 29.493 29.700 -0.367 0.000 0.762 385 E HN 0.379 nan 8.360 nan 0.000 0.460 386 S N -0.586 115.064 115.700 -0.083 0.000 2.414 386 S HA -0.056 4.414 4.470 -0.000 0.000 0.227 386 S C 1.770 176.351 174.600 -0.032 0.000 1.022 386 S CA 1.288 59.468 58.200 -0.033 0.000 0.958 386 S CB -0.224 62.975 63.200 -0.001 0.000 0.797 386 S HN 0.301 nan 8.310 nan 0.000 0.493 387 T N -0.430 114.099 114.554 -0.043 0.000 1.878 387 T HA 0.511 4.861 4.350 -0.000 0.000 0.182 387 T C -0.704 173.965 174.700 -0.052 0.000 0.686 387 T CA -0.500 61.580 62.100 -0.034 0.000 1.483 387 T CB -0.223 68.633 68.868 -0.020 0.000 3.294 387 T HN 0.114 nan 8.240 nan 0.000 0.405 388 E N 1.561 121.730 120.200 -0.051 0.000 2.191 388 E HA 0.451 4.801 4.350 -0.000 0.000 0.278 388 E C -0.948 175.611 176.600 -0.069 0.000 0.972 388 E CA -0.385 55.981 56.400 -0.057 0.000 0.804 388 E CB 1.160 30.832 29.700 -0.047 0.000 1.110 388 E HN 0.567 nan 8.360 nan 0.000 0.394 389 N N 2.775 121.427 118.700 -0.081 0.000 2.411 389 N HA 0.173 4.913 4.740 -0.000 0.000 0.259 389 N C 0.049 175.531 175.510 -0.046 0.000 1.103 389 N CA -0.064 52.932 53.050 -0.090 0.000 0.954 389 N CB 0.309 38.725 38.487 -0.120 0.000 1.085 389 N HN 0.547 nan 8.380 nan 0.000 0.485 390 I N 1.414 121.968 120.570 -0.027 0.000 3.658 390 I HA 0.499 4.669 4.170 -0.000 0.000 0.328 390 I C 0.768 176.887 176.117 0.004 0.000 1.567 390 I CA -0.605 60.687 61.300 -0.014 0.000 1.078 390 I CB -0.033 37.952 38.000 -0.024 0.000 1.267 390 I HN 0.647 nan 8.210 nan 0.000 0.495 391 G N 2.047 110.877 108.800 0.050 0.000 2.598 391 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.269 391 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.269 391 G C 0.845 175.782 174.900 0.061 0.000 1.289 391 G CA 0.568 45.740 45.100 0.121 0.000 0.926 391 G HN 0.870 nan 8.290 nan 0.000 0.567 392 A N -0.716 122.080 122.820 -0.040 0.000 2.131 392 A HA -0.014 4.306 4.320 -0.000 0.000 0.220 392 A C 2.435 179.682 177.584 -0.561 0.000 1.158 392 A CA 2.168 53.958 52.037 -0.411 0.000 0.665 392 A CB -0.399 18.451 19.000 -0.251 0.000 0.795 392 A HN 0.703 nan 8.150 nan 0.000 0.460 393 R N -0.937 119.355 120.500 -0.346 0.000 2.112 393 R HA -0.235 4.105 4.340 -0.000 0.000 0.242 393 R C 2.369 178.418 176.300 -0.417 0.000 1.137 393 R CA 1.897 57.775 56.100 -0.370 0.000 0.944 393 R CB -0.295 29.946 30.300 -0.099 0.000 0.857 393 R HN 0.464 nan 8.270 nan 0.000 0.435 394 R N 1.081 121.429 120.500 -0.253 0.000 2.204 394 R HA -0.162 4.178 4.340 -0.000 0.000 0.253 394 R C 1.960 178.128 176.300 -0.221 0.000 1.172 394 R CA 1.409 57.410 56.100 -0.164 0.000 0.994 394 R CB -0.586 29.679 30.300 -0.059 0.000 0.874 394 R HN 0.262 nan 8.270 nan 0.000 0.462 395 L N -0.868 120.092 121.223 -0.439 0.000 2.046 395 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 395 L C 2.306 179.081 176.870 -0.158 0.000 1.077 395 L CA 1.447 56.072 54.840 -0.358 0.000 0.747 395 L CB -0.652 41.102 42.059 -0.510 0.000 0.896 395 L HN 0.356 nan 8.230 nan 0.000 0.432 396 H N -0.598 118.419 119.070 -0.089 0.000 2.319 396 H HA -0.153 4.403 4.556 -0.000 0.000 0.299 396 H C 2.476 177.807 175.328 0.005 0.000 1.092 396 H CA 2.048 58.079 56.048 -0.028 0.000 1.302 396 H CB -1.108 28.642 29.762 -0.018 0.000 1.373 396 H HN 0.448 nan 8.280 nan 0.000 0.497 397 T N -1.173 113.439 114.554 0.096 0.000 2.857 397 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 397 T C 2.318 177.054 174.700 0.060 0.000 1.048 397 T CA 1.169 63.315 62.100 0.076 0.000 1.139 397 T CB -0.870 68.027 68.868 0.049 0.000 0.874 397 T HN 0.086 nan 8.240 nan 0.000 0.455 398 V N 1.712 121.645 119.914 0.032 0.000 2.237 398 V HA -0.064 4.056 4.120 -0.000 0.000 0.245 398 V C 2.607 178.723 176.094 0.038 0.000 1.046 398 V CA 1.707 64.031 62.300 0.039 0.000 1.007 398 V CB -0.896 30.946 31.823 0.031 0.000 0.638 398 V HN 0.410 nan 8.190 nan 0.000 0.445 399 L N 0.456 121.688 121.223 0.015 0.000 2.013 399 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 399 L C 2.366 179.217 176.870 -0.031 0.000 1.073 399 L CA 2.383 57.208 54.840 -0.026 0.000 0.753 399 L CB -0.864 41.170 42.059 -0.042 0.000 0.890 399 L HN 0.385 nan 8.230 nan 0.000 0.432 400 E N -0.567 119.675 120.200 0.070 0.000 2.153 400 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 400 E C 2.312 178.981 176.600 0.115 0.000 0.988 400 E CA 1.164 57.649 56.400 0.141 0.000 0.811 400 E CB -0.165 29.640 29.700 0.175 0.000 0.746 400 E HN 0.417 nan 8.360 nan 0.000 0.466 401 R N 0.048 120.603 120.500 0.091 0.000 2.073 401 R HA -0.030 4.310 4.340 -0.000 0.000 0.229 401 R C 2.224 178.589 176.300 0.108 0.000 1.120 401 R CA 1.257 57.417 56.100 0.099 0.000 0.967 401 R CB -0.976 29.378 30.300 0.090 0.000 0.862 401 R HN 0.332 nan 8.270 nan 0.000 0.436 402 L N -0.135 121.137 121.223 0.082 0.000 2.081 402 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 402 L C 1.595 178.491 176.870 0.042 0.000 1.080 402 L CA 1.873 56.762 54.840 0.082 0.000 0.754 402 L CB -0.220 41.869 42.059 0.050 0.000 0.893 402 L HN 0.264 nan 8.230 nan 0.000 0.433 403 M N -1.437 118.157 119.600 -0.011 0.000 2.509 403 M HA 0.008 4.488 4.480 -0.000 0.000 0.250 403 M C 1.901 178.289 176.300 0.146 0.000 1.132 403 M CA 0.502 55.798 55.300 -0.007 0.000 1.080 403 M CB -0.516 31.945 32.600 -0.232 0.000 1.408 403 M HN 0.304 nan 8.290 nan 0.000 0.484 404 E N 1.734 122.030 120.200 0.161 0.000 2.136 404 E HA -0.245 4.105 4.350 -0.000 0.000 0.208 404 E C 1.697 178.410 176.600 0.189 0.000 1.035 404 E CA 2.236 58.740 56.400 0.173 0.000 0.838 404 E CB 0.110 29.890 29.700 0.134 0.000 0.748 404 E HN 0.561 nan 8.360 nan 0.000 0.459 405 E N -0.281 120.039 120.200 0.201 0.000 2.047 405 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 405 E C 2.363 179.100 176.600 0.227 0.000 0.987 405 E CA 1.331 57.863 56.400 0.221 0.000 0.799 405 E CB -0.209 29.652 29.700 0.268 0.000 0.752 405 E HN 0.404 nan 8.360 nan 0.000 0.449 406 I N 0.987 121.673 120.570 0.192 0.000 2.226 406 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 406 I C 2.721 178.929 176.117 0.153 0.000 1.100 406 I CA 0.749 62.134 61.300 0.141 0.000 1.374 406 I CB -0.264 37.769 38.000 0.055 0.000 1.057 406 I HN 0.065 nan 8.210 nan 0.000 0.413 407 S N -0.101 115.719 115.700 0.199 0.000 2.400 407 S HA -0.269 4.201 4.470 -0.000 0.000 0.232 407 S C 2.071 176.769 174.600 0.163 0.000 1.025 407 S CA 1.529 59.840 58.200 0.186 0.000 0.993 407 S CB -0.324 63.013 63.200 0.228 0.000 0.808 407 S HN 0.516 nan 8.310 nan 0.000 0.478 408 Y N 1.479 121.824 120.300 0.076 0.000 2.269 408 Y HA 0.092 4.642 4.550 -0.000 0.000 0.294 408 Y C 1.603 177.531 175.900 0.046 0.000 1.120 408 Y CA 1.542 59.676 58.100 0.056 0.000 1.159 408 Y CB -0.152 38.343 38.460 0.059 0.000 1.024 408 Y HN 0.225 nan 8.280 nan 0.000 0.532 409 D N 0.111 120.584 120.400 0.121 0.000 2.349 409 D HA 0.072 4.712 4.640 -0.000 0.000 0.224 409 D C 2.063 178.359 176.300 -0.006 0.000 1.029 409 D CA 0.771 54.792 54.000 0.036 0.000 0.879 409 D CB -0.156 40.721 40.800 0.128 0.000 0.906 409 D HN 0.460 nan 8.370 nan 0.000 0.528 410 A N 0.587 123.406 122.820 -0.002 0.000 1.903 410 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 410 A C 2.372 179.936 177.584 -0.032 0.000 1.191 410 A CA 1.952 53.984 52.037 -0.007 0.000 0.638 410 A CB -0.592 18.407 19.000 -0.001 0.000 0.823 410 A HN 0.213 nan 8.150 nan 0.000 0.451 411 S N 0.113 115.774 115.700 -0.066 0.000 2.419 411 S HA -0.095 4.375 4.470 -0.000 0.000 0.233 411 S C 0.834 175.404 174.600 -0.050 0.000 1.016 411 S CA 1.227 59.388 58.200 -0.065 0.000 0.974 411 S CB -0.267 62.877 63.200 -0.093 0.000 0.786 411 S HN 0.669 nan 8.310 nan 0.000 0.492 412 D N 0.316 120.687 120.400 -0.048 0.000 2.358 412 D HA 0.196 4.836 4.640 -0.000 0.000 0.224 412 D C 0.216 176.512 176.300 -0.008 0.000 1.123 412 D CA 0.136 54.120 54.000 -0.026 0.000 0.833 412 D CB 0.494 41.282 40.800 -0.020 0.000 0.946 412 D HN 0.228 nan 8.370 nan 0.000 0.505 413 L N -0.043 121.174 121.223 -0.008 0.000 3.086 413 L HA 0.121 4.461 4.340 -0.000 0.000 0.274 413 L C 0.589 177.454 176.870 -0.007 0.000 1.184 413 L CA -0.018 54.821 54.840 -0.001 0.000 1.002 413 L CB 0.510 42.573 42.059 0.007 0.000 1.383 413 L HN -0.238 nan 8.230 nan 0.000 0.582 414 S N 0.253 115.946 115.700 -0.012 0.000 2.643 414 S HA 0.244 4.714 4.470 -0.000 0.000 0.310 414 S C 1.464 176.058 174.600 -0.011 0.000 1.253 414 S CA 1.233 59.425 58.200 -0.014 0.000 1.047 414 S CB -0.069 63.121 63.200 -0.016 0.000 0.767 414 S HN 0.863 nan 8.310 nan 0.000 0.498 415 G N 3.322 112.114 108.800 -0.012 0.000 2.147 415 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.244 415 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.244 415 G C -0.163 174.730 174.900 -0.011 0.000 1.005 415 G CA 0.492 45.585 45.100 -0.011 0.000 0.713 415 G HN 0.776 nan 8.290 nan 0.000 0.515 416 Q N -0.566 119.226 119.800 -0.014 0.000 2.359 416 Q HA 0.495 4.835 4.340 -0.000 0.000 0.275 416 Q C -0.582 175.403 176.000 -0.025 0.000 1.082 416 Q CA -0.986 54.808 55.803 -0.016 0.000 0.849 416 Q CB 1.181 29.913 28.738 -0.011 0.000 1.377 416 Q HN 0.183 nan 8.270 nan 0.000 0.452 417 N N 1.802 120.485 118.700 -0.029 0.000 2.707 417 N HA 0.275 5.015 4.740 -0.000 0.000 0.235 417 N C -0.997 174.476 175.510 -0.061 0.000 1.028 417 N CA -0.130 52.895 53.050 -0.043 0.000 0.906 417 N CB 0.826 39.293 38.487 -0.034 0.000 1.131 417 N HN 0.405 nan 8.380 nan 0.000 0.509 418 I N 1.261 121.776 120.570 -0.091 0.000 2.365 418 I HA 0.144 4.314 4.170 -0.000 0.000 0.291 418 I C 1.117 177.107 176.117 -0.212 0.000 1.004 418 I CA -0.152 61.066 61.300 -0.136 0.000 1.311 418 I CB 1.086 38.990 38.000 -0.159 0.000 1.401 418 I HN 0.150 nan 8.210 nan 0.000 0.491 419 T N 7.455 121.885 114.554 -0.206 0.000 2.779 419 T HA 0.610 4.960 4.350 -0.000 0.000 0.280 419 T C -0.236 174.257 174.700 -0.345 0.000 0.987 419 T CA -0.472 61.486 62.100 -0.238 0.000 0.966 419 T CB 0.337 69.133 68.868 -0.119 0.000 0.933 419 T HN 0.329 nan 8.240 nan 0.000 0.442 420 I N 6.222 126.497 120.570 -0.492 0.000 2.310 420 I HA 0.295 4.465 4.170 -0.000 0.000 0.287 420 I C -0.014 175.984 176.117 -0.198 0.000 1.073 420 I CA -0.773 60.203 61.300 -0.540 0.000 1.216 420 I CB 0.488 37.968 38.000 -0.867 0.000 1.415 420 I HN 0.677 nan 8.210 nan 0.000 0.480 421 D N 4.713 125.086 120.400 -0.044 0.000 2.494 421 D HA 0.434 5.074 4.640 -0.000 0.000 0.259 421 D C 1.159 177.517 176.300 0.097 0.000 1.109 421 D CA -0.708 53.314 54.000 0.037 0.000 1.040 421 D CB 1.046 41.867 40.800 0.036 0.000 1.175 421 D HN 0.287 nan 8.370 nan 0.000 0.584 422 A N 0.160 123.030 122.820 0.084 0.000 1.927 422 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 422 A C 1.556 179.203 177.584 0.104 0.000 1.185 422 A CA 2.322 54.412 52.037 0.089 0.000 0.639 422 A CB -1.095 17.944 19.000 0.064 0.000 0.820 422 A HN 0.645 nan 8.150 nan 0.000 0.451 423 D N -1.927 118.533 120.400 0.100 0.000 2.087 423 D HA -0.177 4.463 4.640 -0.000 0.000 0.192 423 D C 1.724 178.106 176.300 0.136 0.000 0.993 423 D CA 1.720 55.778 54.000 0.097 0.000 0.828 423 D CB -0.446 40.405 40.800 0.084 0.000 0.968 423 D HN 0.567 nan 8.370 nan 0.000 0.448 424 Y N 1.197 121.531 120.300 0.057 0.000 2.081 424 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 424 Y C 2.286 178.262 175.900 0.126 0.000 1.163 424 Y CA 1.228 59.381 58.100 0.089 0.000 1.135 424 Y CB -0.565 37.873 38.460 -0.036 0.000 0.970 424 Y HN -0.165 nan 8.280 nan 0.000 0.498 425 V N -0.743 119.356 119.914 0.309 0.000 2.252 425 V HA -0.393 3.727 4.120 -0.000 0.000 0.249 425 V C 2.439 178.635 176.094 0.171 0.000 1.056 425 V CA 2.322 64.757 62.300 0.226 0.000 1.022 425 V CB -1.130 30.793 31.823 0.166 0.000 0.641 425 V HN 0.420 nan 8.190 nan 0.000 0.445 426 S N -0.935 114.840 115.700 0.125 0.000 2.370 426 S HA -0.269 4.201 4.470 -0.000 0.000 0.226 426 S C 2.023 176.655 174.600 0.053 0.000 1.033 426 S CA 1.869 60.118 58.200 0.082 0.000 1.011 426 S CB -0.365 62.870 63.200 0.059 0.000 0.852 426 S HN 0.581 nan 8.310 nan 0.000 0.457 427 K N 0.168 120.589 120.400 0.035 0.000 2.209 427 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 427 K C 1.721 178.229 176.600 -0.154 0.000 1.048 427 K CA 1.178 57.422 56.287 -0.072 0.000 0.940 427 K CB -0.068 32.349 32.500 -0.138 0.000 0.729 427 K HN 0.541 nan 8.250 nan 0.000 0.451 428 H N -0.938 118.069 119.070 -0.105 0.000 2.516 428 H HA 0.071 4.627 4.556 -0.000 0.000 0.284 428 H C 1.776 177.102 175.328 -0.004 0.000 0.999 428 H CA 0.773 56.780 56.048 -0.069 0.000 1.303 428 H CB 0.544 30.272 29.762 -0.057 0.000 1.452 428 H HN 0.144 nan 8.280 nan 0.000 0.530 429 L N -0.079 121.226 121.223 0.135 0.000 2.575 429 L HA 0.034 4.374 4.340 -0.000 0.000 0.228 429 L C 1.685 178.594 176.870 0.065 0.000 1.075 429 L CA -0.020 54.879 54.840 0.098 0.000 0.867 429 L CB 0.096 42.221 42.059 0.109 0.000 1.097 429 L HN -0.040 nan 8.230 nan 0.000 0.485 430 D N 1.703 122.134 120.400 0.052 0.000 2.127 430 D HA -0.252 4.388 4.640 -0.000 0.000 0.190 430 D C 2.232 178.549 176.300 0.027 0.000 1.000 430 D CA 2.027 56.050 54.000 0.038 0.000 0.839 430 D CB -0.063 40.752 40.800 0.024 0.000 0.955 430 D HN 0.288 nan 8.370 nan 0.000 0.446 431 A N -0.123 122.704 122.820 0.011 0.000 1.940 431 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 431 A C 2.170 179.763 177.584 0.015 0.000 1.176 431 A CA 1.177 53.216 52.037 0.004 0.000 0.631 431 A CB -0.566 18.425 19.000 -0.015 0.000 0.814 431 A HN 0.157 nan 8.150 nan 0.000 0.446 432 L N -0.735 120.504 121.223 0.025 0.000 1.988 432 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 432 L C 2.577 179.474 176.870 0.044 0.000 1.071 432 L CA 1.461 56.323 54.840 0.037 0.000 0.744 432 L CB -1.070 41.018 42.059 0.049 0.000 0.893 432 L HN 0.175 nan 8.230 nan 0.000 0.433 433 V N 0.059 120.004 119.914 0.051 0.000 2.332 433 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 433 V C 2.749 178.871 176.094 0.046 0.000 1.055 433 V CA 1.701 64.034 62.300 0.055 0.000 1.038 433 V CB -1.312 30.552 31.823 0.068 0.000 0.651 433 V HN 0.505 nan 8.190 nan 0.000 0.450 434 A N -0.285 122.558 122.820 0.039 0.000 1.908 434 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 434 A C 1.463 179.063 177.584 0.028 0.000 1.181 434 A CA 1.719 53.775 52.037 0.032 0.000 0.627 434 A CB -0.444 18.570 19.000 0.024 0.000 0.818 434 A HN 0.547 nan 8.150 nan 0.000 0.445 435 D N -0.406 120.010 120.400 0.026 0.000 2.393 435 D HA 0.256 4.896 4.640 -0.000 0.000 0.232 435 D C 0.899 177.221 176.300 0.037 0.000 1.192 435 D CA -0.116 53.899 54.000 0.025 0.000 0.882 435 D CB 0.538 41.347 40.800 0.016 0.000 1.038 435 D HN 0.434 nan 8.370 nan 0.000 0.499 436 E N 2.202 122.424 120.200 0.036 0.000 2.023 436 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 436 E C 1.042 177.681 176.600 0.065 0.000 1.003 436 E CA 1.373 57.799 56.400 0.043 0.000 0.809 436 E CB 0.110 29.830 29.700 0.033 0.000 0.755 436 E HN 0.576 nan 8.360 nan 0.000 0.449 437 D N 0.525 120.967 120.400 0.069 0.000 2.133 437 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 437 D C 1.978 178.380 176.300 0.170 0.000 0.997 437 D CA 0.946 55.015 54.000 0.115 0.000 0.840 437 D CB -0.151 40.696 40.800 0.080 0.000 0.947 437 D HN 0.086 nan 8.370 nan 0.000 0.452 438 L N -0.211 121.068 121.223 0.094 0.000 2.042 438 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 438 L C 2.391 179.351 176.870 0.149 0.000 1.076 438 L CA 1.274 56.168 54.840 0.089 0.000 0.749 438 L CB -0.294 41.786 42.059 0.035 0.000 0.893 438 L HN 0.083 nan 8.230 nan 0.000 0.432 439 S N -0.660 115.107 115.700 0.111 0.000 2.419 439 S HA -0.125 4.345 4.470 -0.000 0.000 0.233 439 S C 1.791 176.449 174.600 0.096 0.000 1.016 439 S CA 0.873 59.128 58.200 0.092 0.000 0.974 439 S CB -0.160 63.077 63.200 0.061 0.000 0.786 439 S HN 0.399 nan 8.310 nan 0.000 0.492 440 R N -0.834 119.739 120.500 0.122 0.000 2.280 440 R HA 0.074 4.414 4.340 -0.000 0.000 0.207 440 R C 1.113 177.394 176.300 -0.032 0.000 1.043 440 R CA 0.794 56.918 56.100 0.040 0.000 1.006 440 R CB -0.109 30.212 30.300 0.034 0.000 0.885 440 R HN 0.405 nan 8.270 nan 0.000 0.467 441 F N -1.100 118.854 119.950 0.006 0.000 2.479 441 F HA 0.084 4.611 4.527 -0.000 0.000 0.280 441 F C 1.717 177.525 175.800 0.012 0.000 0.982 441 F CA 0.092 58.096 58.000 0.008 0.000 1.276 441 F CB 0.095 39.099 39.000 0.006 0.000 1.137 441 F HN -0.193 nan 8.300 nan 0.000 0.660 442 I N 0.098 120.808 120.570 0.233 0.000 3.419 442 I HA 0.062 4.232 4.170 -0.000 0.000 0.286 442 I C 0.309 176.482 176.117 0.093 0.000 1.268 442 I CA 0.779 62.161 61.300 0.137 0.000 1.414 442 I CB -0.415 37.649 38.000 0.107 0.000 1.074 442 I HN -0.090 nan 8.210 nan 0.000 0.457 443 L N 0.000 121.271 121.223 0.081 0.000 2.949 443 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 443 L CA 0.000 54.875 54.840 0.058 0.000 0.813 443 L CB 0.000 42.093 42.059 0.057 0.000 0.961 443 L HN 0.000 nan 8.230 nan 0.000 0.502