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 3oeg_1_A DATA FIRST_RESID 4 DATA SEQUENCE TTTAHSDYEI ILEGGSSSWG QIKGRAKVNV PAALPLLPAD CNIKIEAKPL DATA SEQUENCE DAQKGVVRFT SQIESIVDST KNKLVVEVDI ANETKDRRIA VGEGEVSVGD DATA SEQUENCE FSHKFSFEGS VVNMYYYRSD AVRRNVPNPV YMQGRQFHDI MMKVPLDNKD DATA SEQUENCE LIETWEGFQQ SISGGGVNFG DWIREFWFIG PAYTAINEGG QRISPIQVNN DATA SEQUENCE FGVESXXKGP VGVSRWKFSH AGSGIVDSIS RWAELFPVEQ LNKPASIEGG DATA SEQUENCE FRSDSQGIEV KVDGNLPGVS RDAGGGLRRI LNHPLIPLVH HGMVGKFNDF DATA SEQUENCE TVDTQLKVVL PKGYKIRYAA PQFRSQNLEE YRWSGGAYAR WVEHVCKGGT DATA SEQUENCE GQFEVLYAQ 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.735 174.700 0.058 0.000 1.109 4 T CA 0.000 62.128 62.100 0.046 0.000 1.349 4 T CB 0.000 68.892 68.868 0.040 0.000 0.612 5 T N 2.421 117.013 114.554 0.063 0.000 2.728 5 T HA 0.672 5.025 4.350 0.005 0.000 0.296 5 T C 0.073 174.827 174.700 0.090 0.000 0.940 5 T CA -0.259 61.891 62.100 0.083 0.000 1.013 5 T CB 0.759 69.692 68.868 0.109 0.000 0.912 5 T HN 1.053 nan 8.240 nan 0.000 0.484 6 T N 0.603 115.183 114.554 0.045 0.000 2.912 6 T HA 0.698 5.051 4.350 0.005 0.000 0.299 6 T C -1.082 173.525 174.700 -0.154 0.000 1.052 6 T CA -0.853 61.220 62.100 -0.045 0.000 0.996 6 T CB 1.467 70.233 68.868 -0.170 0.000 1.070 6 T HN 0.630 nan 8.240 nan 0.000 0.465 7 A N 3.924 126.663 122.820 -0.136 0.000 2.260 7 A HA 0.631 4.954 4.320 0.005 0.000 0.314 7 A C -0.227 177.221 177.584 -0.227 0.000 1.257 7 A CA -0.676 51.258 52.037 -0.172 0.000 0.871 7 A CB 0.210 19.078 19.000 -0.221 0.000 1.166 7 A HN 0.927 nan 8.150 nan 0.000 0.522 8 H N 2.138 121.216 119.070 0.013 0.000 2.519 8 H HA 0.535 5.094 4.556 0.005 0.000 0.316 8 H C -0.181 175.128 175.328 -0.032 0.000 1.065 8 H CA 0.141 56.194 56.048 0.008 0.000 1.264 8 H CB 1.514 31.281 29.762 0.009 0.000 1.413 8 H HN 0.755 nan 8.280 nan 0.000 0.465 9 S N 3.319 119.033 115.700 0.023 0.000 2.564 9 S HA 0.448 4.921 4.470 0.005 0.000 0.274 9 S C -1.174 173.219 174.600 -0.346 0.000 1.124 9 S CA -1.071 57.025 58.200 -0.174 0.000 0.869 9 S CB 2.994 66.074 63.200 -0.200 0.000 1.105 9 S HN 0.511 nan 8.310 nan 0.000 0.472 10 D N 1.064 121.156 120.400 -0.513 0.000 2.896 10 D HA 0.448 5.092 4.640 0.005 0.000 0.241 10 D C -1.601 174.402 176.300 -0.495 0.000 1.188 10 D CA -0.070 53.688 54.000 -0.402 0.000 0.879 10 D CB 1.799 42.526 40.800 -0.121 0.000 1.553 10 D HN 0.572 nan 8.370 nan 0.000 0.515 11 Y N 0.135 120.528 120.300 0.155 0.000 2.499 11 Y HA 0.481 5.034 4.550 0.005 0.000 0.347 11 Y C 0.147 176.114 175.900 0.113 0.000 0.987 11 Y CA -0.964 57.218 58.100 0.137 0.000 1.044 11 Y CB 2.266 40.833 38.460 0.178 0.000 1.245 11 Y HN 0.214 nan 8.280 nan 0.000 0.461 12 E N 2.431 122.772 120.200 0.235 0.000 2.331 12 E HA 0.719 5.072 4.350 0.005 0.000 0.275 12 E C -1.968 174.696 176.600 0.107 0.000 0.895 12 E CA -0.627 55.861 56.400 0.148 0.000 0.753 12 E CB 1.929 31.692 29.700 0.105 0.000 1.216 12 E HN 0.701 nan 8.360 nan 0.000 0.434 13 I N 5.123 125.736 120.570 0.073 0.000 2.478 13 I HA 0.391 4.564 4.170 0.005 0.000 0.287 13 I C -0.773 175.350 176.117 0.011 0.000 1.042 13 I CA -0.653 60.663 61.300 0.027 0.000 1.067 13 I CB 1.712 39.702 38.000 -0.016 0.000 1.233 13 I HN 0.439 nan 8.210 nan 0.000 0.431 14 I N 6.923 127.496 120.570 0.006 0.000 2.382 14 I HA 0.408 4.581 4.170 0.005 0.000 0.286 14 I C -0.525 175.577 176.117 -0.025 0.000 1.002 14 I CA -0.463 60.829 61.300 -0.012 0.000 1.135 14 I CB 1.453 39.454 38.000 0.002 0.000 1.288 14 I HN 0.310 nan 8.210 nan 0.000 0.448 15 L N 6.014 127.191 121.223 -0.076 0.000 2.307 15 L HA 0.438 4.781 4.340 0.005 0.000 0.282 15 L C 0.356 177.173 176.870 -0.087 0.000 1.051 15 L CA -0.595 54.194 54.840 -0.085 0.000 0.804 15 L CB 1.242 43.187 42.059 -0.189 0.000 1.197 15 L HN 0.571 nan 8.230 nan 0.000 0.431 16 E N 0.715 120.902 120.200 -0.022 0.000 2.349 16 E HA 0.352 4.705 4.350 0.005 0.000 0.265 16 E C 0.026 176.575 176.600 -0.085 0.000 1.064 16 E CA -0.200 56.177 56.400 -0.038 0.000 0.886 16 E CB 1.549 31.265 29.700 0.028 0.000 1.036 16 E HN 0.754 nan 8.360 nan 0.000 0.413 17 G N 0.264 108.987 108.800 -0.128 0.000 2.857 17 G HA2 0.550 4.513 3.960 0.005 0.000 0.217 17 G HA3 0.550 4.513 3.960 0.005 0.000 0.217 17 G C 0.440 175.361 174.900 0.035 0.000 1.357 17 G CA -0.022 44.977 45.100 -0.168 0.000 1.033 17 G HN 0.765 nan 8.290 nan 0.000 0.571 18 G N -0.344 108.553 108.800 0.161 0.000 2.591 18 G HA2 -0.218 3.745 3.960 0.005 0.000 0.298 18 G HA3 -0.218 3.745 3.960 0.005 0.000 0.298 18 G C 1.505 176.475 174.900 0.117 0.000 1.195 18 G CA 1.915 47.101 45.100 0.144 0.000 0.989 18 G HN 1.962 nan 8.290 nan 0.000 0.551 19 S N -0.546 115.203 115.700 0.081 0.000 2.577 19 S HA 0.562 5.036 4.470 0.005 0.000 0.219 19 S C 0.902 175.555 174.600 0.090 0.000 0.962 19 S CA 1.146 59.389 58.200 0.073 0.000 0.921 19 S CB 0.468 63.700 63.200 0.053 0.000 0.789 19 S HN 1.525 nan 8.310 nan 0.000 0.497 20 S N 1.831 117.594 115.700 0.105 0.000 2.562 20 S HA 0.430 4.904 4.470 0.005 0.000 0.275 20 S C 0.953 175.660 174.600 0.178 0.000 1.281 20 S CA -0.128 58.177 58.200 0.175 0.000 1.045 20 S CB 1.097 64.386 63.200 0.148 0.000 0.962 20 S HN 0.494 nan 8.310 nan 0.000 0.503 21 S N 3.188 119.014 115.700 0.210 0.000 2.539 21 S HA 0.232 4.705 4.470 0.005 0.000 0.221 21 S C -0.143 174.519 174.600 0.103 0.000 0.987 21 S CA -0.740 57.522 58.200 0.104 0.000 0.929 21 S CB -0.267 62.937 63.200 0.006 0.000 0.832 21 S HN 0.683 nan 8.310 nan 0.000 0.492 22 W N 1.843 123.131 121.300 -0.020 0.000 2.158 22 W HA 0.588 5.251 4.660 0.004 0.000 0.339 22 W C 0.898 177.399 176.519 -0.031 0.000 1.294 22 W CA 0.805 58.135 57.345 -0.025 0.000 1.231 22 W CB 0.312 29.756 29.460 -0.027 0.000 1.143 22 W HN 0.338 nan 8.180 nan 0.000 0.571 23 G N 1.023 109.938 108.800 0.192 0.000 2.696 23 G HA2 0.441 4.404 3.960 0.005 0.000 0.295 23 G HA3 0.441 4.404 3.960 0.005 0.000 0.295 23 G C -2.069 172.898 174.900 0.111 0.000 1.398 23 G CA -0.982 44.182 45.100 0.108 0.000 0.920 23 G HN 0.352 nan 8.290 nan 0.000 0.492 24 Q N 0.151 119.999 119.800 0.079 0.000 2.303 24 Q HA 0.564 4.908 4.340 0.005 0.000 0.257 24 Q C -0.632 175.398 176.000 0.051 0.000 0.941 24 Q CA -0.694 55.151 55.803 0.071 0.000 0.931 24 Q CB 1.149 29.922 28.738 0.058 0.000 1.215 24 Q HN 0.610 nan 8.270 nan 0.000 0.437 25 I N 0.578 121.179 120.570 0.052 0.000 2.569 25 I HA 0.612 4.785 4.170 0.005 0.000 0.296 25 I C -1.393 174.768 176.117 0.073 0.000 1.028 25 I CA -0.477 60.856 61.300 0.055 0.000 1.082 25 I CB 2.057 40.079 38.000 0.036 0.000 1.264 25 I HN 0.380 nan 8.210 nan 0.000 0.429 26 K N 3.604 124.064 120.400 0.100 0.000 2.464 26 K HA 0.825 5.149 4.320 0.005 0.000 0.253 26 K C -0.814 175.892 176.600 0.176 0.000 0.933 26 K CA -1.046 55.309 56.287 0.112 0.000 0.801 26 K CB 2.517 35.070 32.500 0.088 0.000 1.271 26 K HN 1.019 nan 8.250 nan 0.000 0.430 27 G N 1.625 110.530 108.800 0.176 0.000 2.682 27 G HA2 0.686 4.649 3.960 0.005 0.000 0.300 27 G HA3 0.686 4.649 3.960 0.005 0.000 0.300 27 G C -1.430 173.556 174.900 0.143 0.000 1.391 27 G CA -0.860 44.394 45.100 0.256 0.000 0.990 27 G HN 0.624 nan 8.290 nan 0.000 0.501 28 R N -0.031 120.509 120.500 0.067 0.000 2.626 28 R HA 0.863 5.206 4.340 0.005 0.000 0.274 28 R C -1.028 175.269 176.300 -0.005 0.000 1.031 28 R CA -0.949 55.173 56.100 0.036 0.000 0.898 28 R CB 2.034 32.343 30.300 0.016 0.000 1.222 28 R HN 1.075 nan 8.270 nan 0.000 0.455 29 A N 2.387 125.234 122.820 0.044 0.000 2.574 29 A HA 0.702 5.025 4.320 0.005 0.000 0.297 29 A C -1.591 176.027 177.584 0.057 0.000 1.062 29 A CA -1.024 51.038 52.037 0.041 0.000 0.686 29 A CB 1.824 20.860 19.000 0.060 0.000 1.285 29 A HN 0.884 nan 8.150 nan 0.000 0.403 30 K N 0.160 120.603 120.400 0.072 0.000 2.498 30 K HA 0.812 5.135 4.320 0.005 0.000 0.254 30 K C -1.994 174.657 176.600 0.084 0.000 0.933 30 K CA -0.779 55.556 56.287 0.080 0.000 0.806 30 K CB 2.435 34.988 32.500 0.088 0.000 1.301 30 K HN 1.064 nan 8.250 nan 0.000 0.432 31 V N 2.698 122.639 119.914 0.044 0.000 2.777 31 V HA 0.323 4.447 4.120 0.005 0.000 0.306 31 V C -1.451 174.659 176.094 0.028 0.000 1.112 31 V CA -0.796 61.509 62.300 0.008 0.000 0.917 31 V CB 2.020 33.784 31.823 -0.099 0.000 1.018 31 V HN 0.998 nan 8.190 nan 0.000 0.426 32 N N 5.780 124.508 118.700 0.047 0.000 3.259 32 N HA 0.183 4.926 4.740 0.005 0.000 0.308 32 N C -0.459 175.075 175.510 0.040 0.000 1.334 32 N CA 0.127 53.208 53.050 0.051 0.000 1.202 32 N CB 0.587 39.114 38.487 0.067 0.000 1.485 32 N HN 0.725 nan 8.380 nan 0.000 0.549 33 V N -3.627 116.303 119.914 0.026 0.000 3.001 33 V HA 0.763 4.886 4.120 0.005 0.000 0.314 33 V C -2.876 173.233 176.094 0.026 0.000 1.099 33 V CA -2.709 59.609 62.300 0.031 0.000 0.989 33 V CB 1.897 33.738 31.823 0.030 0.000 1.040 33 V HN -0.051 nan 8.190 nan 0.000 0.434 34 P HA 0.400 nan 4.420 nan 0.000 0.271 34 P C -0.183 177.129 177.300 0.020 0.000 1.218 34 P CA 0.228 63.340 63.100 0.019 0.000 0.780 34 P CB 0.596 32.301 31.700 0.008 0.000 0.901 35 A N 2.483 125.308 122.820 0.008 0.000 2.346 35 A HA 0.445 4.768 4.320 0.005 0.000 0.252 35 A C 1.357 178.946 177.584 0.008 0.000 1.089 35 A CA 0.303 52.337 52.037 -0.005 0.000 0.797 35 A CB -0.359 18.625 19.000 -0.027 0.000 1.047 35 A HN 0.542 nan 8.150 nan 0.000 0.494 36 A N 0.663 123.498 122.820 0.024 0.000 2.251 36 A HA 0.359 4.682 4.320 0.005 0.000 0.209 36 A C 0.643 178.217 177.584 -0.016 0.000 1.187 36 A CA -0.130 51.915 52.037 0.012 0.000 0.823 36 A CB -0.613 18.474 19.000 0.144 0.000 0.846 36 A HN 0.671 nan 8.150 nan 0.000 0.486 37 L N 0.304 121.525 121.223 -0.004 0.000 2.499 37 L HA 0.119 4.462 4.340 0.005 0.000 0.273 37 L C -1.482 175.385 176.870 -0.006 0.000 1.195 37 L CA -1.280 53.562 54.840 0.004 0.000 0.882 37 L CB 0.258 42.335 42.059 0.029 0.000 1.133 37 L HN 0.097 nan 8.230 nan 0.000 0.483 38 P HA 0.036 nan 4.420 nan 0.000 0.237 38 P C -0.153 177.143 177.300 -0.006 0.000 1.178 38 P CA 0.937 64.025 63.100 -0.020 0.000 0.766 38 P CB 0.269 31.955 31.700 -0.024 0.000 0.876 39 L N -0.146 121.082 121.223 0.008 0.000 2.376 39 L HA 0.459 4.802 4.340 0.005 0.000 0.275 39 L C -0.380 176.509 176.870 0.032 0.000 0.987 39 L CA -0.550 54.300 54.840 0.018 0.000 0.828 39 L CB 1.864 43.936 42.059 0.021 0.000 1.249 39 L HN -0.208 nan 8.230 nan 0.000 0.409 40 L N 3.412 124.653 121.223 0.030 0.000 2.359 40 L HA 0.671 5.014 4.340 0.005 0.000 0.256 40 L C -2.342 174.550 176.870 0.037 0.000 1.026 40 L CA -1.848 53.017 54.840 0.042 0.000 0.828 40 L CB 2.578 44.658 42.059 0.035 0.000 1.406 40 L HN 0.335 nan 8.230 nan 0.000 0.413 41 P HA 0.416 nan 4.420 nan 0.000 0.274 41 P C -1.494 175.856 177.300 0.082 0.000 1.256 41 P CA -0.449 62.688 63.100 0.062 0.000 0.795 41 P CB 0.820 32.553 31.700 0.055 0.000 1.038 42 A N 0.850 123.747 122.820 0.128 0.000 2.402 42 A HA 0.577 4.900 4.320 0.005 0.000 0.291 42 A C -1.420 176.276 177.584 0.188 0.000 1.051 42 A CA -0.488 51.649 52.037 0.166 0.000 0.716 42 A CB 0.857 20.000 19.000 0.237 0.000 1.223 42 A HN 0.403 nan 8.150 nan 0.000 0.425 43 D N 0.420 120.821 120.400 0.002 0.000 2.457 43 D HA 0.659 5.303 4.640 0.005 0.000 0.240 43 D C -1.103 174.939 176.300 -0.429 0.000 1.041 43 D CA -0.047 53.833 54.000 -0.200 0.000 0.861 43 D CB 2.017 42.758 40.800 -0.100 0.000 1.394 43 D HN 0.592 nan 8.370 nan 0.000 0.473 44 C N 1.995 120.805 119.300 -0.817 0.000 2.985 44 C HA 0.540 5.003 4.460 0.005 0.000 0.332 44 C C -1.799 172.910 174.990 -0.469 0.000 1.164 44 C CA -0.487 58.138 59.018 -0.656 0.000 1.347 44 C CB 1.027 28.280 27.740 -0.812 0.000 1.764 44 C HN 0.552 nan 8.230 nan 0.000 0.489 45 N N 3.470 122.040 118.700 -0.217 0.000 2.258 45 N HA 0.689 5.433 4.740 0.005 0.000 0.299 45 N C -1.407 174.076 175.510 -0.045 0.000 1.047 45 N CA -0.245 52.739 53.050 -0.108 0.000 0.814 45 N CB 2.260 40.704 38.487 -0.072 0.000 1.413 45 N HN 0.875 nan 8.380 nan 0.000 0.478 46 I N 0.265 120.832 120.570 -0.005 0.000 2.582 46 I HA 0.443 4.616 4.170 0.005 0.000 0.292 46 I C -1.124 175.005 176.117 0.019 0.000 1.066 46 I CA -0.655 60.659 61.300 0.023 0.000 1.053 46 I CB 1.856 39.891 38.000 0.059 0.000 1.241 46 I HN 0.303 nan 8.210 nan 0.000 0.421 47 K N 7.755 128.160 120.400 0.010 0.000 2.371 47 K HA 0.693 5.017 4.320 0.005 0.000 0.251 47 K C -1.861 174.715 176.600 -0.039 0.000 0.934 47 K CA -0.647 55.635 56.287 -0.009 0.000 0.798 47 K CB 1.899 34.390 32.500 -0.015 0.000 1.204 47 K HN 0.616 nan 8.250 nan 0.000 0.427 48 I N 2.551 123.075 120.570 -0.077 0.000 2.533 48 I HA 0.326 4.500 4.170 0.005 0.000 0.290 48 I C -0.975 175.004 176.117 -0.230 0.000 1.056 48 I CA -0.730 60.447 61.300 -0.204 0.000 1.057 48 I CB 2.326 40.211 38.000 -0.192 0.000 1.240 48 I HN 0.610 nan 8.210 nan 0.000 0.423 49 E N 4.040 124.044 120.200 -0.326 0.000 2.293 49 E HA 0.785 5.138 4.350 0.005 0.000 0.270 49 E C -1.185 175.245 176.600 -0.283 0.000 0.879 49 E CA -0.852 55.417 56.400 -0.219 0.000 0.756 49 E CB 2.806 32.440 29.700 -0.110 0.000 1.208 49 E HN 0.676 nan 8.360 nan 0.000 0.428 50 A N 3.334 126.082 122.820 -0.121 0.000 2.343 50 A HA 0.605 4.928 4.320 0.005 0.000 0.308 50 A C -1.062 176.557 177.584 0.057 0.000 1.092 50 A CA -0.856 51.183 52.037 0.002 0.000 0.751 50 A CB 0.819 19.880 19.000 0.103 0.000 1.203 50 A HN 0.538 nan 8.150 nan 0.000 0.452 51 K N 1.757 122.204 120.400 0.078 0.000 2.426 51 K HA 0.677 5.000 4.320 0.005 0.000 0.251 51 K C -3.291 173.360 176.600 0.085 0.000 0.941 51 K CA -2.138 54.198 56.287 0.081 0.000 0.808 51 K CB 2.163 34.697 32.500 0.058 0.000 1.265 51 K HN 0.242 nan 8.250 nan 0.000 0.432 52 P HA 0.100 nan 4.420 nan 0.000 0.271 52 P C 0.248 177.581 177.300 0.056 0.000 1.233 52 P CA -0.243 62.896 63.100 0.065 0.000 0.764 52 P CB 0.613 32.346 31.700 0.055 0.000 0.825 53 L N 1.811 123.071 121.223 0.060 0.000 2.145 53 L HA 0.134 4.477 4.340 0.005 0.000 0.201 53 L C 0.561 177.454 176.870 0.038 0.000 1.075 53 L CA 1.354 56.223 54.840 0.048 0.000 0.773 53 L CB 0.195 42.286 42.059 0.053 0.000 0.936 53 L HN 0.385 nan 8.230 nan 0.000 0.451 54 D N -1.182 119.243 120.400 0.042 0.000 2.365 54 D HA 0.201 4.845 4.640 0.005 0.000 0.235 54 D C 0.264 176.584 176.300 0.033 0.000 1.368 54 D CA -0.012 54.008 54.000 0.033 0.000 1.001 54 D CB 1.755 42.574 40.800 0.031 0.000 1.364 54 D HN 0.065 nan 8.370 nan 0.000 0.577 55 A N 3.255 126.091 122.820 0.026 0.000 2.172 55 A HA -0.127 4.197 4.320 0.005 0.000 0.216 55 A C 1.806 179.402 177.584 0.019 0.000 1.154 55 A CA 1.204 53.254 52.037 0.021 0.000 0.701 55 A CB -0.104 18.907 19.000 0.018 0.000 0.789 55 A HN 0.599 nan 8.150 nan 0.000 0.465 56 Q N -0.203 119.609 119.800 0.020 0.000 2.049 56 Q HA -0.060 4.283 4.340 0.005 0.000 0.198 56 Q C 1.421 177.436 176.000 0.024 0.000 0.971 56 Q CA 1.226 57.041 55.803 0.019 0.000 0.833 56 Q CB 0.035 28.783 28.738 0.017 0.000 0.896 56 Q HN 0.431 nan 8.270 nan 0.000 0.434 57 K N -0.783 119.635 120.400 0.029 0.000 2.444 57 K HA 0.116 4.439 4.320 0.005 0.000 0.193 57 K C 0.518 177.147 176.600 0.049 0.000 1.024 57 K CA 0.730 57.039 56.287 0.036 0.000 1.077 57 K CB 0.727 33.248 32.500 0.035 0.000 0.833 57 K HN 0.406 nan 8.250 nan 0.000 0.517 58 G N 2.096 110.923 108.800 0.045 0.000 2.295 58 G HA2 -0.227 3.736 3.960 0.005 0.000 0.287 58 G HA3 -0.227 3.736 3.960 0.005 0.000 0.287 58 G C -0.011 174.947 174.900 0.097 0.000 1.055 58 G CA 0.103 45.234 45.100 0.052 0.000 0.922 58 G HN 0.107 nan 8.290 nan 0.000 0.503 59 V N -0.065 119.901 119.914 0.088 0.000 2.439 59 V HA 0.574 4.698 4.120 0.005 0.000 0.282 59 V C 0.664 176.835 176.094 0.129 0.000 1.039 59 V CA -0.737 61.630 62.300 0.112 0.000 0.913 59 V CB 1.833 33.701 31.823 0.075 0.000 0.983 59 V HN 0.267 nan 8.190 nan 0.000 0.460 60 V N 5.059 125.091 119.914 0.195 0.000 2.459 60 V HA 0.501 4.624 4.120 0.005 0.000 0.295 60 V C 0.067 176.280 176.094 0.199 0.000 1.029 60 V CA -0.942 61.485 62.300 0.212 0.000 0.874 60 V CB 1.938 33.968 31.823 0.344 0.000 0.985 60 V HN 0.859 nan 8.190 nan 0.000 0.438 61 R N 3.923 124.519 120.500 0.160 0.000 2.210 61 R HA 0.351 4.695 4.340 0.005 0.000 0.338 61 R C -1.309 175.113 176.300 0.202 0.000 1.062 61 R CA -0.123 56.068 56.100 0.152 0.000 0.902 61 R CB 0.127 30.481 30.300 0.090 0.000 1.050 61 R HN 0.553 nan 8.270 nan 0.000 0.461 62 F N 3.584 123.584 119.950 0.084 0.000 2.426 62 F HA 0.488 5.018 4.527 0.005 0.000 0.348 62 F C -0.843 175.009 175.800 0.086 0.000 1.124 62 F CA -0.211 57.844 58.000 0.092 0.000 1.008 62 F CB 1.755 40.817 39.000 0.104 0.000 1.139 62 F HN 0.457 nan 8.300 nan 0.000 0.452 63 T N 4.380 118.812 114.554 -0.203 0.000 2.848 63 T HA 0.481 4.834 4.350 0.005 0.000 0.285 63 T C -1.183 173.403 174.700 -0.190 0.000 0.995 63 T CA -0.682 61.374 62.100 -0.073 0.000 0.970 63 T CB 1.612 70.453 68.868 -0.045 0.000 0.976 63 T HN 0.545 nan 8.240 nan 0.000 0.441 64 S N 2.239 117.940 115.700 0.002 0.000 2.549 64 S HA 0.670 5.143 4.470 0.005 0.000 0.280 64 S C -1.706 172.928 174.600 0.056 0.000 1.109 64 S CA -0.674 57.535 58.200 0.015 0.000 0.905 64 S CB 1.803 65.083 63.200 0.134 0.000 1.081 64 S HN 0.756 nan 8.310 nan 0.000 0.477 65 Q N 3.453 123.274 119.800 0.035 0.000 2.285 65 Q HA 0.671 5.014 4.340 0.005 0.000 0.269 65 Q C -1.904 174.118 176.000 0.037 0.000 1.030 65 Q CA -0.550 55.276 55.803 0.038 0.000 0.788 65 Q CB 1.310 30.057 28.738 0.015 0.000 1.266 65 Q HN 0.744 nan 8.270 nan 0.000 0.438 66 I N 2.882 123.480 120.570 0.048 0.000 2.498 66 I HA 0.434 4.608 4.170 0.005 0.000 0.290 66 I C -0.745 175.385 176.117 0.022 0.000 1.032 66 I CA -0.530 60.793 61.300 0.038 0.000 1.073 66 I CB 2.170 40.209 38.000 0.065 0.000 1.251 66 I HN 0.587 nan 8.210 nan 0.000 0.426 67 E N 4.539 124.735 120.200 -0.007 0.000 2.272 67 E HA 0.628 4.981 4.350 0.005 0.000 0.269 67 E C -1.234 175.336 176.600 -0.049 0.000 0.877 67 E CA -0.671 55.720 56.400 -0.016 0.000 0.755 67 E CB 2.523 32.212 29.700 -0.019 0.000 1.192 67 E HN 0.663 nan 8.360 nan 0.000 0.422 68 S N 2.199 117.878 115.700 -0.034 0.000 2.618 68 S HA 0.727 5.200 4.470 0.005 0.000 0.277 68 S C -0.769 173.816 174.600 -0.024 0.000 1.138 68 S CA -0.833 57.333 58.200 -0.058 0.000 0.844 68 S CB 1.181 64.360 63.200 -0.035 0.000 1.127 68 S HN 0.423 nan 8.310 nan 0.000 0.474 69 I N 1.563 122.116 120.570 -0.027 0.000 2.512 69 I HA 0.590 4.763 4.170 0.005 0.000 0.287 69 I C -1.178 174.952 176.117 0.021 0.000 1.069 69 I CA -1.049 60.253 61.300 0.002 0.000 1.056 69 I CB 2.017 40.016 38.000 -0.002 0.000 1.229 69 I HN 0.632 nan 8.210 nan 0.000 0.429 70 V N 4.475 124.410 119.914 0.036 0.000 2.525 70 V HA 0.477 4.601 4.120 0.005 0.000 0.299 70 V C -0.079 176.039 176.094 0.041 0.000 1.034 70 V CA -0.119 62.211 62.300 0.050 0.000 0.863 70 V CB 1.546 33.408 31.823 0.065 0.000 0.999 70 V HN 0.898 nan 8.190 nan 0.000 0.423 71 D N 4.461 124.885 120.400 0.039 0.000 2.701 71 D HA -0.203 4.441 4.640 0.005 0.000 0.235 71 D C 0.884 177.200 176.300 0.027 0.000 1.155 71 D CA 1.738 55.757 54.000 0.030 0.000 0.649 71 D CB -1.106 39.710 40.800 0.026 0.000 1.050 71 D HN 1.510 nan 8.370 nan 0.000 0.425 72 S N -3.230 112.486 115.700 0.027 0.000 2.319 72 S HA -0.200 4.274 4.470 0.005 0.000 0.253 72 S C 0.526 175.142 174.600 0.027 0.000 1.235 72 S CA 1.183 59.398 58.200 0.024 0.000 1.388 72 S CB -1.074 62.139 63.200 0.022 0.000 1.723 72 S HN 0.528 nan 8.310 nan 0.000 0.611 73 T N 3.262 117.835 114.554 0.031 0.000 2.761 73 T HA 0.536 4.889 4.350 0.005 0.000 0.296 73 T C 0.169 174.891 174.700 0.038 0.000 0.934 73 T CA 0.534 62.657 62.100 0.038 0.000 1.091 73 T CB 1.212 70.106 68.868 0.043 0.000 0.896 73 T HN 0.620 nan 8.240 nan 0.000 0.515 74 K N 3.685 124.109 120.400 0.039 0.000 2.227 74 K HA 0.500 4.823 4.320 0.005 0.000 0.280 74 K C -0.138 176.490 176.600 0.046 0.000 1.041 74 K CA -0.842 55.465 56.287 0.033 0.000 0.905 74 K CB 0.271 32.787 32.500 0.027 0.000 1.068 74 K HN 0.693 nan 8.250 nan 0.000 0.470 75 N N 1.468 120.192 118.700 0.040 0.000 2.328 75 N HA 0.598 5.341 4.740 0.005 0.000 0.299 75 N C -1.239 174.295 175.510 0.040 0.000 1.179 75 N CA -0.765 52.318 53.050 0.054 0.000 0.793 75 N CB 2.180 40.704 38.487 0.062 0.000 1.366 75 N HN 0.625 nan 8.380 nan 0.000 0.493 76 K N 0.819 121.249 120.400 0.049 0.000 2.561 76 K HA 0.412 4.735 4.320 0.005 0.000 0.254 76 K C -2.067 174.564 176.600 0.052 0.000 0.942 76 K CA -0.630 55.679 56.287 0.037 0.000 0.818 76 K CB 1.591 34.102 32.500 0.018 0.000 1.306 76 K HN 0.417 nan 8.250 nan 0.000 0.435 77 L N 4.511 125.772 121.223 0.063 0.000 2.356 77 L HA 0.641 4.984 4.340 0.005 0.000 0.277 77 L C -1.800 175.119 176.870 0.082 0.000 0.996 77 L CA -0.490 54.406 54.840 0.094 0.000 0.822 77 L CB 2.011 44.147 42.059 0.128 0.000 1.256 77 L HN 0.404 nan 8.230 nan 0.000 0.413 78 V N 5.393 125.349 119.914 0.070 0.000 2.656 78 V HA 0.810 4.933 4.120 0.005 0.000 0.307 78 V C -0.643 175.500 176.094 0.082 0.000 1.051 78 V CA -0.471 61.861 62.300 0.053 0.000 0.893 78 V CB 1.987 33.807 31.823 -0.004 0.000 0.999 78 V HN 0.713 nan 8.190 nan 0.000 0.426 79 V N 1.338 121.334 119.914 0.138 0.000 2.888 79 V HA 0.821 4.945 4.120 0.005 0.000 0.309 79 V C -0.988 175.222 176.094 0.193 0.000 1.114 79 V CA -0.623 61.804 62.300 0.211 0.000 0.940 79 V CB 2.070 34.122 31.823 0.382 0.000 1.021 79 V HN 0.948 nan 8.190 nan 0.000 0.426 80 E N 1.813 122.121 120.200 0.180 0.000 2.241 80 E HA 0.727 5.080 4.350 0.005 0.000 0.263 80 E C -1.864 174.835 176.600 0.164 0.000 0.882 80 E CA -0.630 55.859 56.400 0.149 0.000 0.769 80 E CB 2.458 32.194 29.700 0.060 0.000 1.185 80 E HN 1.105 nan 8.360 nan 0.000 0.415 81 V N 3.135 123.176 119.914 0.212 0.000 2.971 81 V HA 0.486 4.609 4.120 0.005 0.000 0.309 81 V C -1.794 174.375 176.094 0.125 0.000 1.130 81 V CA -0.700 61.686 62.300 0.143 0.000 0.964 81 V CB 2.261 34.239 31.823 0.259 0.000 1.029 81 V HN 0.665 nan 8.190 nan 0.000 0.427 82 D N 5.390 125.812 120.400 0.036 0.000 2.274 82 D HA 0.606 5.249 4.640 0.005 0.000 0.239 82 D C -0.434 175.882 176.300 0.027 0.000 1.104 82 D CA 0.399 54.428 54.000 0.048 0.000 0.840 82 D CB 1.577 42.386 40.800 0.016 0.000 1.100 82 D HN 0.580 nan 8.370 nan 0.000 0.477 83 I N 1.269 121.872 120.570 0.056 0.000 2.509 83 I HA 0.721 4.895 4.170 0.005 0.000 0.293 83 I C -0.361 175.793 176.117 0.063 0.000 1.020 83 I CA -0.826 60.453 61.300 -0.035 0.000 1.088 83 I CB 2.008 39.880 38.000 -0.214 0.000 1.267 83 I HN 0.333 nan 8.210 nan 0.000 0.430 84 A N 4.564 127.389 122.820 0.009 0.000 2.589 84 A HA 0.563 4.886 4.320 0.005 0.000 0.296 84 A C -1.343 176.292 177.584 0.085 0.000 1.062 84 A CA -0.832 51.283 52.037 0.130 0.000 0.686 84 A CB 1.362 20.425 19.000 0.106 0.000 1.282 84 A HN 0.633 nan 8.150 nan 0.000 0.404 85 N N 1.100 119.910 118.700 0.182 0.000 2.518 85 N HA 0.164 4.907 4.740 0.005 0.000 0.266 85 N C 0.579 176.153 175.510 0.107 0.000 1.196 85 N CA 0.095 53.233 53.050 0.146 0.000 0.947 85 N CB 1.512 40.108 38.487 0.181 0.000 1.098 85 N HN 0.781 nan 8.380 nan 0.000 0.450 86 E N -0.216 120.042 120.200 0.096 0.000 2.206 86 E HA 0.006 4.360 4.350 0.005 0.000 0.195 86 E C 0.358 177.003 176.600 0.074 0.000 0.935 86 E CA 0.731 57.173 56.400 0.070 0.000 0.875 86 E CB 0.452 30.182 29.700 0.050 0.000 0.841 86 E HN 0.763 nan 8.360 nan 0.000 0.477 87 T N -1.969 112.643 114.554 0.096 0.000 2.716 87 T HA 0.217 4.570 4.350 0.005 0.000 0.286 87 T C 0.668 175.457 174.700 0.147 0.000 1.052 87 T CA -0.790 61.367 62.100 0.095 0.000 1.024 87 T CB 1.426 70.335 68.868 0.067 0.000 1.349 87 T HN -0.049 nan 8.240 nan 0.000 0.525 88 K N -0.032 120.451 120.400 0.139 0.000 2.362 88 K HA 0.000 4.323 4.320 0.005 0.000 0.200 88 K C 0.475 177.252 176.600 0.295 0.000 1.046 88 K CA 1.247 57.653 56.287 0.198 0.000 0.952 88 K CB -0.113 32.474 32.500 0.145 0.000 0.753 88 K HN 0.452 nan 8.250 nan 0.000 0.466 89 D N 0.369 120.879 120.400 0.185 0.000 2.423 89 D HA 0.011 4.654 4.640 0.005 0.000 0.212 89 D C 0.120 176.441 176.300 0.034 0.000 1.060 89 D CA 0.196 54.225 54.000 0.049 0.000 0.872 89 D CB 0.500 41.274 40.800 -0.044 0.000 1.012 89 D HN 0.104 nan 8.370 nan 0.000 0.503 90 R N 1.082 121.666 120.500 0.140 0.000 2.387 90 R HA 0.470 4.813 4.340 0.005 0.000 0.314 90 R C -0.719 175.707 176.300 0.210 0.000 0.958 90 R CA -0.485 55.683 56.100 0.114 0.000 0.846 90 R CB 1.827 32.147 30.300 0.034 0.000 1.147 90 R HN -0.155 nan 8.270 nan 0.000 0.447 91 R N 4.621 125.267 120.500 0.243 0.000 2.803 91 R HA 0.552 4.895 4.340 0.005 0.000 0.276 91 R C -0.742 175.580 176.300 0.037 0.000 0.978 91 R CA -0.703 55.482 56.100 0.141 0.000 0.939 91 R CB 1.286 31.661 30.300 0.124 0.000 1.179 91 R HN 0.694 nan 8.270 nan 0.000 0.472 92 I N -0.607 119.955 120.570 -0.013 0.000 2.828 92 I HA 0.880 5.053 4.170 0.005 0.000 0.302 92 I C -1.344 174.751 176.117 -0.037 0.000 1.101 92 I CA -1.019 60.270 61.300 -0.018 0.000 1.031 92 I CB 2.579 40.577 38.000 -0.003 0.000 1.231 92 I HN 0.653 nan 8.210 nan 0.000 0.427 93 A N 4.108 126.924 122.820 -0.005 0.000 2.455 93 A HA 0.789 5.112 4.320 0.005 0.000 0.300 93 A C -1.644 175.907 177.584 -0.056 0.000 1.040 93 A CA -0.700 51.342 52.037 0.007 0.000 0.697 93 A CB 2.062 21.128 19.000 0.110 0.000 1.265 93 A HN 0.880 nan 8.150 nan 0.000 0.407 94 V N 1.870 121.673 119.914 -0.185 0.000 2.577 94 V HA 0.921 5.044 4.120 0.005 0.000 0.303 94 V C 0.099 175.881 176.094 -0.520 0.000 1.042 94 V CA 0.842 62.911 62.300 -0.384 0.000 0.872 94 V CB 1.643 33.349 31.823 -0.195 0.000 0.998 94 V HN 1.952 nan 8.190 nan 0.000 0.423 95 G N 5.055 113.262 108.800 -0.988 0.000 2.619 95 G HA2 0.733 4.696 3.960 0.005 0.000 0.305 95 G HA3 0.733 4.696 3.960 0.005 0.000 0.305 95 G C -1.447 173.230 174.900 -0.372 0.000 1.330 95 G CA -0.020 44.718 45.100 -0.602 0.000 0.789 95 G HN 1.045 nan 8.290 nan 0.000 0.487 96 E N -1.681 118.512 120.200 -0.011 0.000 2.430 96 E HA 0.743 5.096 4.350 0.005 0.000 0.279 96 E C -0.294 176.206 176.600 -0.167 0.000 1.003 96 E CA -0.707 55.689 56.400 -0.007 0.000 0.801 96 E CB 1.854 31.496 29.700 -0.096 0.000 1.313 96 E HN 1.583 nan 8.360 nan 0.000 0.459 97 G N 0.118 108.418 108.800 -0.833 0.000 2.494 97 G HA2 0.459 4.422 3.960 0.005 0.000 0.308 97 G HA3 0.459 4.422 3.960 0.005 0.000 0.308 97 G C -1.715 172.512 174.900 -1.120 0.000 1.263 97 G CA -0.472 44.096 45.100 -0.887 0.000 0.840 97 G HN 0.627 nan 8.290 nan 0.000 0.479 98 E N -1.089 118.757 120.200 -0.589 0.000 2.347 98 E HA 0.521 4.875 4.350 0.005 0.000 0.285 98 E C -1.804 174.754 176.600 -0.069 0.000 0.925 98 E CA -0.592 55.620 56.400 -0.312 0.000 0.779 98 E CB 2.613 32.178 29.700 -0.225 0.000 1.233 98 E HN 0.389 nan 8.360 nan 0.000 0.414 99 V N 2.992 122.844 119.914 -0.104 0.000 2.495 99 V HA 0.626 4.750 4.120 0.005 0.000 0.298 99 V C -0.506 175.548 176.094 -0.068 0.000 1.031 99 V CA -0.441 61.842 62.300 -0.030 0.000 0.871 99 V CB 1.619 33.454 31.823 0.020 0.000 0.988 99 V HN 0.718 nan 8.190 nan 0.000 0.432 100 S N 3.517 119.231 115.700 0.023 0.000 2.549 100 S HA 0.884 5.357 4.470 0.005 0.000 0.280 100 S C -1.277 173.406 174.600 0.138 0.000 1.109 100 S CA -0.752 57.473 58.200 0.043 0.000 0.905 100 S CB 2.115 65.300 63.200 -0.024 0.000 1.081 100 S HN 0.447 nan 8.310 nan 0.000 0.477 101 V N 2.435 122.485 119.914 0.228 0.000 2.567 101 V HA 0.723 4.846 4.120 0.005 0.000 0.298 101 V C 1.118 177.326 176.094 0.190 0.000 1.047 101 V CA 0.328 62.748 62.300 0.200 0.000 0.880 101 V CB 0.653 32.611 31.823 0.225 0.000 1.009 101 V HN 1.686 nan 8.190 nan 0.000 0.429 102 G N 5.291 114.163 108.800 0.119 0.000 2.660 102 G HA2 -0.352 3.611 3.960 0.005 0.000 0.321 102 G HA3 -0.352 3.611 3.960 0.005 0.000 0.321 102 G C 0.545 175.511 174.900 0.110 0.000 1.246 102 G CA 0.989 46.150 45.100 0.101 0.000 1.000 102 G HN 1.119 nan 8.290 nan 0.000 0.550 103 D N 0.353 120.831 120.400 0.129 0.000 2.319 103 D HA 0.399 5.043 4.640 0.005 0.000 0.230 103 D C 0.439 176.847 176.300 0.179 0.000 1.094 103 D CA 0.220 54.292 54.000 0.120 0.000 0.856 103 D CB -0.059 40.802 40.800 0.101 0.000 0.915 103 D HN 0.424 nan 8.370 nan 0.000 0.517 104 F N 0.364 120.348 119.950 0.057 0.000 2.508 104 F HA 0.633 5.163 4.527 0.005 0.000 0.325 104 F C -0.845 175.008 175.800 0.088 0.000 1.090 104 F CA -0.860 57.187 58.000 0.078 0.000 0.945 104 F CB 2.204 41.261 39.000 0.094 0.000 1.156 104 F HN -0.158 nan 8.300 nan 0.000 0.463 105 S N 2.702 117.747 115.700 -1.092 0.000 2.550 105 S HA 0.642 5.115 4.470 0.005 0.000 0.270 105 S C -1.879 172.203 174.600 -0.864 0.000 1.145 105 S CA -0.545 57.170 58.200 -0.809 0.000 0.852 105 S CB 0.970 63.975 63.200 -0.325 0.000 1.119 105 S HN 1.042 nan 8.310 nan 0.000 0.465 106 H N 0.456 119.229 119.070 -0.495 0.000 3.046 106 H HA 0.758 5.318 4.556 0.005 0.000 0.361 106 H C -1.433 173.886 175.328 -0.015 0.000 1.235 106 H CA -1.051 54.883 56.048 -0.191 0.000 1.146 106 H CB 0.802 30.549 29.762 -0.025 0.000 1.859 106 H HN 0.336 nan 8.280 nan 0.000 0.548 107 K N 1.860 122.302 120.400 0.071 0.000 2.166 107 K HA 0.534 4.858 4.320 0.005 0.000 0.245 107 K C -0.977 175.733 176.600 0.183 0.000 0.967 107 K CA -0.805 55.456 56.287 -0.044 0.000 0.863 107 K CB 1.611 34.064 32.500 -0.079 0.000 1.107 107 K HN 0.704 nan 8.250 nan 0.000 0.436 108 F N -2.205 117.810 119.950 0.108 0.000 2.631 108 F HA 0.632 5.162 4.527 0.005 0.000 0.308 108 F C -0.745 175.160 175.800 0.175 0.000 1.097 108 F CA -1.032 57.071 58.000 0.172 0.000 0.952 108 F CB 1.475 40.608 39.000 0.223 0.000 1.307 108 F HN 0.498 nan 8.300 nan 0.000 0.450 109 S N 1.488 117.444 115.700 0.427 0.000 2.568 109 S HA 0.938 5.412 4.470 0.005 0.000 0.293 109 S C -1.223 173.651 174.600 0.456 0.000 1.089 109 S CA -0.678 57.717 58.200 0.325 0.000 0.945 109 S CB 2.252 65.521 63.200 0.114 0.000 1.077 109 S HN 1.376 nan 8.310 nan 0.000 0.485 110 F N -1.479 118.594 119.950 0.206 0.000 2.668 110 F HA 0.832 5.362 4.527 0.005 0.000 0.309 110 F C -1.365 174.490 175.800 0.090 0.000 1.117 110 F CA -0.944 57.147 58.000 0.151 0.000 0.951 110 F CB 1.257 40.354 39.000 0.162 0.000 1.323 110 F HN 0.618 nan 8.300 nan 0.000 0.451 111 E N 0.707 121.028 120.200 0.201 0.000 2.263 111 E HA 0.619 4.973 4.350 0.005 0.000 0.268 111 E C -0.974 175.736 176.600 0.184 0.000 0.884 111 E CA -1.171 55.281 56.400 0.087 0.000 0.766 111 E CB 2.423 32.140 29.700 0.028 0.000 1.196 111 E HN 1.076 nan 8.360 nan 0.000 0.416 112 G N 0.712 109.617 108.800 0.174 0.000 2.612 112 G HA2 0.543 4.506 3.960 0.005 0.000 0.298 112 G HA3 0.543 4.506 3.960 0.005 0.000 0.298 112 G C -0.995 173.911 174.900 0.009 0.000 1.336 112 G CA -0.663 44.487 45.100 0.084 0.000 0.953 112 G HN 0.377 nan 8.290 nan 0.000 0.482 113 S N -0.719 114.950 115.700 -0.052 0.000 2.513 113 S HA 0.774 5.247 4.470 0.005 0.000 0.299 113 S C -0.946 173.556 174.600 -0.163 0.000 1.087 113 S CA -0.736 57.421 58.200 -0.072 0.000 1.012 113 S CB 2.070 65.240 63.200 -0.050 0.000 1.044 113 S HN 0.777 nan 8.310 nan 0.000 0.485 114 V N 2.929 122.751 119.914 -0.153 0.000 2.483 114 V HA 0.511 4.634 4.120 0.005 0.000 0.297 114 V C -0.762 175.209 176.094 -0.206 0.000 1.027 114 V CA -0.671 61.462 62.300 -0.279 0.000 0.855 114 V CB 1.673 33.325 31.823 -0.285 0.000 0.995 114 V HN 0.860 nan 8.190 nan 0.000 0.424 115 V N 4.188 123.945 119.914 -0.260 0.000 2.357 115 V HA 0.403 4.526 4.120 0.005 0.000 0.284 115 V C -0.018 175.807 176.094 -0.449 0.000 1.018 115 V CA -0.682 61.451 62.300 -0.279 0.000 0.841 115 V CB 1.629 33.378 31.823 -0.124 0.000 0.991 115 V HN 0.893 nan 8.190 nan 0.000 0.437 116 N N 4.392 122.562 118.700 -0.884 0.000 2.472 116 N HA 0.517 5.260 4.740 0.005 0.000 0.277 116 N C -0.629 174.557 175.510 -0.540 0.000 1.081 116 N CA -0.222 52.238 53.050 -0.983 0.000 0.973 116 N CB 1.161 38.582 38.487 -1.778 0.000 1.105 116 N HN 0.756 nan 8.380 nan 0.000 0.470 117 M N 4.474 123.818 119.600 -0.426 0.000 2.035 117 M HA 0.290 4.774 4.480 0.005 0.000 0.286 117 M C -1.411 174.702 176.300 -0.311 0.000 0.907 117 M CA -0.718 54.457 55.300 -0.209 0.000 0.935 117 M CB 0.407 33.043 32.600 0.060 0.000 1.557 117 M HN 0.498 nan 8.290 nan 0.000 0.426 118 Y N 2.697 122.886 120.300 -0.184 0.000 2.597 118 Y HA -0.035 4.519 4.550 0.006 0.000 0.336 118 Y C 0.499 176.377 175.900 -0.038 0.000 1.216 118 Y CA 0.735 58.726 58.100 -0.181 0.000 1.463 118 Y CB 0.287 38.642 38.460 -0.174 0.000 1.303 118 Y HN 0.550 nan 8.280 nan 0.000 0.576 119 Y N 1.547 121.945 120.300 0.163 0.000 2.439 119 Y HA -0.072 4.481 4.550 0.005 0.000 0.292 119 Y C 0.042 176.097 175.900 0.258 0.000 1.130 119 Y CA 0.183 58.391 58.100 0.179 0.000 1.254 119 Y CB -0.597 37.973 38.460 0.183 0.000 1.000 119 Y HN 0.604 nan 8.280 nan 0.000 0.554 120 Y N -1.402 119.045 120.300 0.245 0.000 2.638 120 Y HA 0.651 5.204 4.550 0.005 0.000 0.335 120 Y C -1.086 174.864 175.900 0.083 0.000 1.155 120 Y CA -2.436 55.747 58.100 0.139 0.000 1.046 120 Y CB 0.966 39.492 38.460 0.109 0.000 1.303 120 Y HN -0.148 nan 8.280 nan 0.000 0.460 121 R N 1.845 122.375 120.500 0.050 0.000 2.575 121 R HA 0.802 5.145 4.340 0.005 0.000 0.293 121 R C -1.701 174.695 176.300 0.160 0.000 0.983 121 R CA -0.937 55.117 56.100 -0.077 0.000 0.887 121 R CB 2.074 32.333 30.300 -0.069 0.000 1.184 121 R HN 0.820 nan 8.270 nan 0.000 0.445 122 S N 0.948 116.746 115.700 0.164 0.000 2.614 122 S HA 0.101 4.574 4.470 0.005 0.000 0.275 122 S C -0.484 174.176 174.600 0.100 0.000 1.161 122 S CA -0.668 57.645 58.200 0.188 0.000 0.969 122 S CB 1.850 65.225 63.200 0.291 0.000 1.059 122 S HN 0.757 nan 8.310 nan 0.000 0.482 123 D N 3.970 124.406 120.400 0.060 0.000 2.269 123 D HA 0.124 4.768 4.640 0.005 0.000 0.208 123 D C 1.935 178.258 176.300 0.038 0.000 0.963 123 D CA 1.458 55.479 54.000 0.034 0.000 0.864 123 D CB 0.097 40.910 40.800 0.022 0.000 0.936 123 D HN 0.641 nan 8.370 nan 0.000 0.505 124 A N -0.290 122.559 122.820 0.048 0.000 1.902 124 A HA -0.127 4.197 4.320 0.005 0.000 0.217 124 A C 2.378 179.990 177.584 0.047 0.000 1.181 124 A CA 1.492 53.552 52.037 0.039 0.000 0.623 124 A CB -0.677 18.341 19.000 0.032 0.000 0.818 124 A HN 0.199 nan 8.150 nan 0.000 0.443 125 V N -0.205 119.758 119.914 0.082 0.000 2.379 125 V HA -0.176 3.948 4.120 0.005 0.000 0.245 125 V C 2.603 178.732 176.094 0.059 0.000 1.044 125 V CA 2.013 64.370 62.300 0.094 0.000 1.036 125 V CB -0.783 31.158 31.823 0.197 0.000 0.664 125 V HN 0.659 nan 8.190 nan 0.000 0.453 126 R N 0.182 120.709 120.500 0.045 0.000 2.096 126 R HA -0.119 4.224 4.340 0.005 0.000 0.235 126 R C 2.481 178.784 176.300 0.005 0.000 1.127 126 R CA 1.415 57.522 56.100 0.011 0.000 0.968 126 R CB -0.119 30.177 30.300 -0.006 0.000 0.861 126 R HN 0.411 nan 8.270 nan 0.000 0.440 127 R N -0.405 120.101 120.500 0.011 0.000 2.148 127 R HA 0.024 4.367 4.340 0.005 0.000 0.223 127 R C 1.333 177.635 176.300 0.003 0.000 1.088 127 R CA 1.109 57.211 56.100 0.004 0.000 0.985 127 R CB 0.009 30.313 30.300 0.006 0.000 0.880 127 R HN 0.354 nan 8.270 nan 0.000 0.451 128 N N -0.406 118.300 118.700 0.010 0.000 2.294 128 N HA 0.049 4.792 4.740 0.005 0.000 0.186 128 N C -0.411 175.103 175.510 0.006 0.000 1.107 128 N CA 0.297 53.351 53.050 0.007 0.000 0.884 128 N CB 1.264 39.759 38.487 0.012 0.000 1.030 128 N HN -0.108 nan 8.380 nan 0.000 0.482 129 V N 3.712 123.633 119.914 0.011 0.000 2.318 129 V HA 0.210 4.333 4.120 0.005 0.000 0.271 129 V C -1.464 174.626 176.094 -0.005 0.000 1.030 129 V CA -1.072 61.233 62.300 0.008 0.000 0.844 129 V CB 1.736 33.574 31.823 0.026 0.000 1.015 129 V HN -0.029 nan 8.190 nan 0.000 0.460 130 P HA -0.031 nan 4.420 nan 0.000 0.221 130 P C 0.480 177.763 177.300 -0.029 0.000 1.150 130 P CA 0.961 64.044 63.100 -0.028 0.000 0.800 130 P CB 0.227 31.903 31.700 -0.041 0.000 0.787 131 N N -0.847 117.838 118.700 -0.025 0.000 2.722 131 N HA 0.228 4.971 4.740 0.005 0.000 0.242 131 N C -2.935 172.561 175.510 -0.023 0.000 1.398 131 N CA -1.899 51.135 53.050 -0.026 0.000 0.755 131 N CB 0.215 38.684 38.487 -0.031 0.000 1.268 131 N HN -0.166 nan 8.380 nan 0.000 0.522 132 P HA 0.140 nan 4.420 nan 0.000 0.271 132 P C 0.374 177.664 177.300 -0.017 0.000 1.220 132 P CA -0.341 62.759 63.100 -0.001 0.000 0.768 132 P CB 1.656 33.362 31.700 0.010 0.000 0.848 133 V N 2.293 122.175 119.914 -0.053 0.000 2.868 133 V HA 0.038 4.162 4.120 0.005 0.000 0.227 133 V C 0.136 176.204 176.094 -0.043 0.000 1.136 133 V CA 0.587 62.813 62.300 -0.124 0.000 1.206 133 V CB -0.880 30.751 31.823 -0.319 0.000 0.997 133 V HN 0.322 nan 8.190 nan 0.000 0.505 134 Y N 1.862 122.216 120.300 0.089 0.000 2.650 134 Y HA 0.440 4.994 4.550 0.006 0.000 0.342 134 Y C 0.169 176.151 175.900 0.137 0.000 1.110 134 Y CA 0.313 58.473 58.100 0.101 0.000 1.438 134 Y CB -0.407 38.109 38.460 0.093 0.000 1.181 134 Y HN 0.222 nan 8.280 nan 0.000 0.526 135 M N 3.842 123.623 119.600 0.301 0.000 2.151 135 M HA 0.307 4.790 4.480 0.005 0.000 0.290 135 M C -0.904 175.535 176.300 0.231 0.000 0.965 135 M CA -0.884 54.584 55.300 0.280 0.000 0.930 135 M CB 1.714 34.471 32.600 0.262 0.000 1.560 135 M HN 0.518 nan 8.290 nan 0.000 0.438 136 Q N 1.231 121.184 119.800 0.254 0.000 2.340 136 Q HA 0.811 5.154 4.340 0.005 0.000 0.249 136 Q C 0.307 176.230 176.000 -0.128 0.000 0.957 136 Q CA -0.179 55.709 55.803 0.142 0.000 0.882 136 Q CB 1.357 30.295 28.738 0.333 0.000 1.235 136 Q HN 0.855 nan 8.270 nan 0.000 0.439 137 G N 0.187 108.648 108.800 -0.565 0.000 2.495 137 G HA2 0.587 4.550 3.960 0.005 0.000 0.294 137 G HA3 0.587 4.550 3.960 0.005 0.000 0.294 137 G C -1.781 172.464 174.900 -1.093 0.000 1.397 137 G CA -0.928 43.513 45.100 -1.099 0.000 0.790 137 G HN 0.504 nan 8.290 nan 0.000 0.486 138 R N -0.390 119.547 120.500 -0.939 0.000 2.725 138 R HA 0.695 5.038 4.340 0.005 0.000 0.277 138 R C -1.408 174.425 176.300 -0.778 0.000 0.987 138 R CA -0.669 54.993 56.100 -0.729 0.000 0.901 138 R CB 2.173 32.181 30.300 -0.488 0.000 1.207 138 R HN 0.598 nan 8.270 nan 0.000 0.463 139 Q N 3.656 122.907 119.800 -0.916 0.000 2.285 139 Q HA 0.333 4.677 4.340 0.005 0.000 0.269 139 Q C -1.784 173.848 176.000 -0.614 0.000 1.030 139 Q CA -0.595 54.782 55.803 -0.710 0.000 0.788 139 Q CB 1.321 29.696 28.738 -0.606 0.000 1.266 139 Q HN 0.493 nan 8.270 nan 0.000 0.438 140 F N 2.446 122.252 119.950 -0.240 0.000 2.415 140 F HA 0.380 4.910 4.527 0.005 0.000 0.348 140 F C -0.103 175.547 175.800 -0.249 0.000 1.119 140 F CA -0.604 57.281 58.000 -0.192 0.000 1.069 140 F CB 1.051 39.952 39.000 -0.165 0.000 1.124 140 F HN 0.547 nan 8.300 nan 0.000 0.472 141 H N 1.100 119.951 119.070 -0.365 0.000 2.457 141 H HA 0.356 4.916 4.556 0.005 0.000 0.335 141 H C -1.002 174.167 175.328 -0.266 0.000 1.115 141 H CA -0.710 55.091 56.048 -0.412 0.000 1.219 141 H CB 1.385 30.655 29.762 -0.821 0.000 1.471 141 H HN 0.393 nan 8.280 nan 0.000 0.491 142 D N 3.303 123.625 120.400 -0.130 0.000 2.542 142 D HA 0.290 4.933 4.640 0.005 0.000 0.252 142 D C -0.993 175.208 176.300 -0.166 0.000 1.222 142 D CA -0.417 53.513 54.000 -0.116 0.000 0.895 142 D CB 0.518 41.282 40.800 -0.061 0.000 1.207 142 D HN 0.440 nan 8.370 nan 0.000 0.558 143 I N 3.347 123.730 120.570 -0.312 0.000 2.436 143 I HA 0.408 4.581 4.170 0.005 0.000 0.289 143 I C -0.171 175.839 176.117 -0.178 0.000 1.010 143 I CA -0.774 60.324 61.300 -0.338 0.000 1.098 143 I CB 2.137 39.672 38.000 -0.776 0.000 1.266 143 I HN 0.241 nan 8.210 nan 0.000 0.434 144 M N 8.482 128.096 119.600 0.024 0.000 2.311 144 M HA 0.675 5.158 4.480 0.005 0.000 0.325 144 M C -1.189 175.240 176.300 0.216 0.000 1.061 144 M CA -0.489 54.888 55.300 0.128 0.000 0.957 144 M CB 1.562 34.227 32.600 0.108 0.000 1.646 144 M HN 0.697 nan 8.290 nan 0.000 0.434 145 M N 2.951 122.710 119.600 0.265 0.000 2.531 145 M HA 0.638 5.121 4.480 0.005 0.000 0.286 145 M C -2.084 174.364 176.300 0.246 0.000 1.232 145 M CA -0.849 54.632 55.300 0.302 0.000 0.877 145 M CB 2.640 35.435 32.600 0.325 0.000 1.726 145 M HN 0.592 nan 8.290 nan 0.000 0.463 146 K N 1.713 122.259 120.400 0.243 0.000 2.482 146 K HA 0.765 5.088 4.320 0.005 0.000 0.251 146 K C -1.834 174.884 176.600 0.197 0.000 0.936 146 K CA -0.829 55.556 56.287 0.165 0.000 0.791 146 K CB 3.236 35.801 32.500 0.109 0.000 1.213 146 K HN 0.604 nan 8.250 nan 0.000 0.428 147 V N 3.983 123.975 119.914 0.130 0.000 2.525 147 V HA 0.302 4.426 4.120 0.005 0.000 0.299 147 V C -2.516 173.596 176.094 0.030 0.000 1.034 147 V CA -2.216 60.178 62.300 0.157 0.000 0.863 147 V CB 1.966 33.914 31.823 0.208 0.000 0.999 147 V HN 0.622 nan 8.190 nan 0.000 0.423 148 P HA 0.205 nan 4.420 nan 0.000 0.267 148 P C -0.159 177.123 177.300 -0.029 0.000 1.209 148 P CA 0.066 63.152 63.100 -0.022 0.000 0.763 148 P CB 0.381 32.080 31.700 -0.002 0.000 0.816 149 L N 3.635 124.800 121.223 -0.096 0.000 2.583 149 L HA 0.120 4.463 4.340 0.005 0.000 0.239 149 L C 0.646 177.497 176.870 -0.032 0.000 1.347 149 L CA 0.083 54.875 54.840 -0.080 0.000 1.246 149 L CB -0.653 41.290 42.059 -0.192 0.000 1.496 149 L HN 0.367 nan 8.230 nan 0.000 0.413 150 D N -0.982 119.420 120.400 0.003 0.000 2.358 150 D HA 0.047 4.690 4.640 0.005 0.000 0.224 150 D C 0.113 176.433 176.300 0.033 0.000 1.123 150 D CA -0.215 53.789 54.000 0.006 0.000 0.833 150 D CB -0.012 40.786 40.800 -0.002 0.000 0.946 150 D HN 0.468 nan 8.370 nan 0.000 0.505 151 N N -1.748 116.992 118.700 0.066 0.000 2.708 151 N HA 0.171 4.915 4.740 0.005 0.000 0.257 151 N C 0.334 175.910 175.510 0.110 0.000 1.373 151 N CA -0.928 52.180 53.050 0.096 0.000 0.843 151 N CB 1.520 40.088 38.487 0.135 0.000 1.503 151 N HN -0.240 nan 8.380 nan 0.000 0.504 152 K N -0.091 120.370 120.400 0.103 0.000 2.097 152 K HA -0.064 4.259 4.320 0.005 0.000 0.206 152 K C 0.446 177.109 176.600 0.104 0.000 1.049 152 K CA 1.756 58.095 56.287 0.088 0.000 0.933 152 K CB -0.503 32.040 32.500 0.070 0.000 0.717 152 K HN 0.595 nan 8.250 nan 0.000 0.442 153 D N 0.389 120.870 120.400 0.136 0.000 2.097 153 D HA -0.158 4.485 4.640 0.005 0.000 0.195 153 D C 2.003 178.378 176.300 0.124 0.000 0.989 153 D CA 1.275 55.333 54.000 0.096 0.000 0.827 153 D CB -0.188 40.639 40.800 0.044 0.000 0.966 153 D HN 0.218 nan 8.370 nan 0.000 0.456 154 L N 0.793 122.139 121.223 0.205 0.000 2.042 154 L HA -0.170 4.173 4.340 0.005 0.000 0.210 154 L C 2.525 179.501 176.870 0.177 0.000 1.076 154 L CA 0.632 55.578 54.840 0.176 0.000 0.749 154 L CB -0.272 41.876 42.059 0.149 0.000 0.893 154 L HN 0.047 nan 8.230 nan 0.000 0.432 155 I N -0.061 120.592 120.570 0.138 0.000 2.179 155 I HA -0.310 3.863 4.170 0.005 0.000 0.242 155 I C 2.548 178.787 176.117 0.204 0.000 1.088 155 I CA 1.624 63.014 61.300 0.150 0.000 1.357 155 I CB -1.043 37.010 38.000 0.089 0.000 1.051 155 I HN 0.463 nan 8.210 nan 0.000 0.409 156 E N 0.887 121.174 120.200 0.144 0.000 2.049 156 E HA -0.238 4.115 4.350 0.005 0.000 0.198 156 E C 2.063 178.748 176.600 0.142 0.000 1.007 156 E CA 2.413 58.883 56.400 0.117 0.000 0.809 156 E CB 0.052 29.794 29.700 0.070 0.000 0.749 156 E HN 0.383 nan 8.360 nan 0.000 0.450 157 T N 0.810 115.464 114.554 0.168 0.000 2.821 157 T HA -0.160 4.193 4.350 0.005 0.000 0.267 157 T C 1.179 176.081 174.700 0.336 0.000 1.046 157 T CA 1.007 63.234 62.100 0.213 0.000 1.139 157 T CB -0.441 68.552 68.868 0.210 0.000 0.871 157 T HN 0.428 nan 8.240 nan 0.000 0.454 158 W N 2.237 123.637 121.300 0.166 0.000 2.335 158 W HA -0.159 4.505 4.660 0.005 0.000 0.311 158 W C 1.757 178.428 176.519 0.254 0.000 1.213 158 W CA 1.425 58.896 57.345 0.209 0.000 1.274 158 W CB -0.215 29.299 29.460 0.092 0.000 1.148 158 W HN 0.387 nan 8.180 nan 0.000 0.498 159 E N -0.477 119.892 120.200 0.280 0.000 2.150 159 E HA -0.129 4.224 4.350 0.005 0.000 0.193 159 E C 2.433 179.031 176.600 -0.003 0.000 0.985 159 E CA 1.206 57.690 56.400 0.140 0.000 0.814 159 E CB -0.725 29.070 29.700 0.159 0.000 0.752 159 E HN 0.345 nan 8.360 nan 0.000 0.466 160 G N 0.444 109.237 108.800 -0.011 0.000 2.418 160 G HA2 -0.251 3.712 3.960 0.005 0.000 0.217 160 G HA3 -0.251 3.712 3.960 0.005 0.000 0.217 160 G C 1.225 175.942 174.900 -0.304 0.000 1.158 160 G CA 0.439 45.453 45.100 -0.145 0.000 0.771 160 G HN 0.155 nan 8.290 nan 0.000 0.545 161 F N 0.628 120.384 119.950 -0.324 0.000 2.186 161 F HA -0.005 4.525 4.527 0.005 0.000 0.299 161 F C 2.897 178.193 175.800 -0.840 0.000 1.090 161 F CA 1.566 59.225 58.000 -0.568 0.000 1.307 161 F CB -0.189 38.455 39.000 -0.594 0.000 1.019 161 F HN 0.181 nan 8.300 nan 0.000 0.489 162 Q N 0.249 119.775 119.800 -0.457 0.000 2.096 162 Q HA -0.269 4.074 4.340 0.005 0.000 0.204 162 Q C 2.114 177.921 176.000 -0.321 0.000 0.982 162 Q CA 1.920 57.503 55.803 -0.368 0.000 0.850 162 Q CB -0.120 28.607 28.738 -0.018 0.000 0.901 162 Q HN 0.496 nan 8.270 nan 0.000 0.422 163 Q N -0.450 119.206 119.800 -0.240 0.000 2.084 163 Q HA -0.130 4.213 4.340 0.005 0.000 0.202 163 Q C 2.235 178.090 176.000 -0.241 0.000 0.978 163 Q CA 1.762 57.450 55.803 -0.193 0.000 0.844 163 Q CB 0.060 28.713 28.738 -0.141 0.000 0.898 163 Q HN 0.335 nan 8.270 nan 0.000 0.426 164 S N 0.838 116.344 115.700 -0.323 0.000 2.368 164 S HA -0.074 4.399 4.470 0.005 0.000 0.224 164 S C 1.998 176.382 174.600 -0.361 0.000 1.029 164 S CA 0.869 58.910 58.200 -0.266 0.000 0.988 164 S CB -0.170 62.884 63.200 -0.244 0.000 0.838 164 S HN 0.258 nan 8.310 nan 0.000 0.462 165 I N 2.189 122.327 120.570 -0.720 0.000 2.233 165 I HA -0.165 4.008 4.170 0.005 0.000 0.243 165 I C 2.824 178.670 176.117 -0.453 0.000 1.093 165 I CA 1.385 62.155 61.300 -0.882 0.000 1.380 165 I CB -0.481 36.781 38.000 -1.229 0.000 1.067 165 I HN 0.393 nan 8.210 nan 0.000 0.413 166 S N 0.759 116.249 115.700 -0.351 0.000 2.357 166 S HA -0.061 4.412 4.470 0.005 0.000 0.221 166 S C 2.148 176.656 174.600 -0.153 0.000 1.031 166 S CA 1.011 59.090 58.200 -0.202 0.000 0.982 166 S CB -1.164 61.951 63.200 -0.142 0.000 0.853 166 S HN 0.432 nan 8.310 nan 0.000 0.458 167 G N 0.979 109.688 108.800 -0.151 0.000 2.403 167 G HA2 0.198 4.161 3.960 0.005 0.000 0.216 167 G HA3 0.198 4.161 3.960 0.005 0.000 0.216 167 G C 1.441 176.273 174.900 -0.113 0.000 1.154 167 G CA 0.510 45.545 45.100 -0.108 0.000 0.784 167 G HN 0.661 nan 8.290 nan 0.000 0.538 168 G N 0.263 108.980 108.800 -0.139 0.000 2.421 168 G HA2 0.295 4.258 3.960 0.005 0.000 0.217 168 G HA3 0.295 4.258 3.960 0.005 0.000 0.217 168 G C 1.430 176.216 174.900 -0.190 0.000 1.143 168 G CA 0.949 45.950 45.100 -0.166 0.000 0.784 168 G HN 1.210 nan 8.290 nan 0.000 0.541 169 G N -0.347 108.367 108.800 -0.143 0.000 2.622 169 G HA2 -0.374 3.589 3.960 0.005 0.000 0.307 169 G HA3 -0.374 3.589 3.960 0.005 0.000 0.307 169 G C 1.217 176.051 174.900 -0.109 0.000 1.226 169 G CA 1.191 46.221 45.100 -0.117 0.000 0.997 169 G HN 0.781 nan 8.290 nan 0.000 0.551 170 V N 1.880 121.721 119.914 -0.122 0.000 2.759 170 V HA -0.146 3.977 4.120 0.005 0.000 0.256 170 V C 2.627 178.583 176.094 -0.230 0.000 1.080 170 V CA 2.479 64.709 62.300 -0.117 0.000 1.101 170 V CB -0.560 31.208 31.823 -0.091 0.000 0.698 170 V HN 0.610 nan 8.190 nan 0.000 0.477 171 N N -0.053 118.397 118.700 -0.417 0.000 2.244 171 N HA -0.135 4.609 4.740 0.005 0.000 0.183 171 N C 1.632 176.708 175.510 -0.723 0.000 1.016 171 N CA 1.236 53.743 53.050 -0.906 0.000 0.866 171 N CB -0.413 37.156 38.487 -1.530 0.000 0.980 171 N HN 0.555 nan 8.380 nan 0.000 0.430 172 F N 1.617 121.289 119.950 -0.464 0.000 2.069 172 F HA -0.081 4.449 4.527 0.005 0.000 0.298 172 F C 2.230 177.935 175.800 -0.158 0.000 1.113 172 F CA 1.893 59.720 58.000 -0.288 0.000 1.214 172 F CB -0.718 38.132 39.000 -0.250 0.000 0.978 172 F HN 0.027 nan 8.300 nan 0.000 0.474 173 G N -0.927 107.809 108.800 -0.107 0.000 2.509 173 G HA2 -0.257 3.706 3.960 0.005 0.000 0.218 173 G HA3 -0.257 3.706 3.960 0.005 0.000 0.218 173 G C 1.235 176.087 174.900 -0.081 0.000 1.124 173 G CA 0.985 46.027 45.100 -0.098 0.000 0.776 173 G HN 0.465 nan 8.290 nan 0.000 0.547 174 D N -0.195 120.136 120.400 -0.115 0.000 2.146 174 D HA -0.067 4.576 4.640 0.005 0.000 0.209 174 D C 1.931 178.323 176.300 0.153 0.000 0.973 174 D CA 0.498 54.503 54.000 0.008 0.000 0.860 174 D CB -0.272 40.490 40.800 -0.062 0.000 1.015 174 D HN 0.269 nan 8.370 nan 0.000 0.465 175 W N 0.680 121.928 121.300 -0.086 0.000 2.595 175 W HA 0.108 4.771 4.660 0.005 0.000 0.257 175 W C 2.011 178.462 176.519 -0.115 0.000 1.267 175 W CA -0.411 56.883 57.345 -0.085 0.000 1.300 175 W CB -1.170 28.231 29.460 -0.099 0.000 1.120 175 W HN 0.097 nan 8.180 nan 0.000 0.618 176 I N 1.293 121.815 120.570 -0.080 0.000 2.567 176 I HA -0.243 3.931 4.170 0.005 0.000 0.257 176 I C 2.322 178.553 176.117 0.191 0.000 1.184 176 I CA 1.394 62.596 61.300 -0.162 0.000 1.451 176 I CB -0.246 37.385 38.000 -0.616 0.000 1.089 176 I HN -0.138 nan 8.210 nan 0.000 0.441 177 R N 0.537 121.198 120.500 0.268 0.000 2.096 177 R HA -0.138 4.205 4.340 0.005 0.000 0.235 177 R C 1.980 178.558 176.300 0.463 0.000 1.127 177 R CA 1.549 57.907 56.100 0.430 0.000 0.968 177 R CB -0.436 30.095 30.300 0.386 0.000 0.861 177 R HN 0.575 nan 8.270 nan 0.000 0.440 178 E N 0.181 120.572 120.200 0.317 0.000 2.435 178 E HA -0.155 4.199 4.350 0.005 0.000 0.195 178 E C 1.543 178.237 176.600 0.157 0.000 1.029 178 E CA 0.653 57.147 56.400 0.158 0.000 0.865 178 E CB -0.198 29.412 29.700 -0.151 0.000 0.833 178 E HN 0.352 nan 8.360 nan 0.000 0.510 179 F N 1.098 121.085 119.950 0.062 0.000 2.149 179 F HA -0.022 4.508 4.527 0.005 0.000 0.294 179 F C 2.098 177.946 175.800 0.079 0.000 1.095 179 F CA 0.907 58.925 58.000 0.031 0.000 1.276 179 F CB -0.226 38.764 39.000 -0.015 0.000 1.023 179 F HN 0.013 nan 8.300 nan 0.000 0.480 180 W N 1.427 122.672 121.300 -0.092 0.000 2.332 180 W HA -0.175 4.488 4.660 0.005 0.000 0.321 180 W C 0.344 176.517 176.519 -0.577 0.000 1.219 180 W CA 1.292 58.381 57.345 -0.426 0.000 1.277 180 W CB -1.241 27.890 29.460 -0.548 0.000 1.161 180 W HN -0.040 nan 8.180 nan 0.000 0.476 181 F N 1.402 121.389 119.950 0.062 0.000 2.573 181 F HA 0.221 4.751 4.527 0.005 0.000 0.349 181 F C 0.757 176.552 175.800 -0.008 0.000 1.213 181 F CA -0.690 57.265 58.000 -0.075 0.000 1.300 181 F CB -1.045 37.837 39.000 -0.197 0.000 1.661 181 F HN -0.338 nan 8.300 nan 0.000 0.616 182 I N 1.588 122.175 120.570 0.029 0.000 2.752 182 I HA 0.289 4.462 4.170 0.005 0.000 0.287 182 I C 1.296 177.425 176.117 0.021 0.000 1.188 182 I CA 0.962 62.246 61.300 -0.025 0.000 1.427 182 I CB 0.094 38.029 38.000 -0.108 0.000 1.365 182 I HN 0.686 nan 8.210 nan 0.000 0.585 183 G N 7.182 115.981 108.800 -0.001 0.000 2.596 183 G HA2 -0.285 3.678 3.960 0.005 0.000 0.295 183 G HA3 -0.285 3.678 3.960 0.005 0.000 0.295 183 G C -1.664 173.254 174.900 0.029 0.000 1.240 183 G CA 0.201 45.301 45.100 0.002 0.000 0.985 183 G HN 0.632 nan 8.290 nan 0.000 0.555 184 P HA 0.237 nan 4.420 nan 0.000 0.245 184 P C 1.590 178.882 177.300 -0.013 0.000 1.212 184 P CA 1.660 64.765 63.100 0.008 0.000 0.774 184 P CB -0.232 31.464 31.700 -0.007 0.000 0.999 185 A N -0.321 122.510 122.820 0.019 0.000 1.933 185 A HA -0.230 4.093 4.320 0.005 0.000 0.218 185 A C 2.229 179.782 177.584 -0.052 0.000 1.175 185 A CA 1.251 53.288 52.037 0.000 0.000 0.628 185 A CB -1.768 17.308 19.000 0.127 0.000 0.814 185 A HN 0.169 nan 8.150 nan 0.000 0.444 186 Y N 1.254 121.517 120.300 -0.062 0.000 2.145 186 Y HA -0.219 4.334 4.550 0.006 0.000 0.286 186 Y C 2.706 178.505 175.900 -0.169 0.000 1.145 186 Y CA 2.442 60.474 58.100 -0.114 0.000 1.148 186 Y CB -0.532 37.908 38.460 -0.033 0.000 0.981 186 Y HN 0.337 nan 8.280 nan 0.000 0.507 187 T N 0.380 114.974 114.554 0.067 0.000 2.759 187 T HA -0.231 4.122 4.350 0.005 0.000 0.269 187 T C 2.003 176.604 174.700 -0.164 0.000 1.042 187 T CA 1.354 63.445 62.100 -0.015 0.000 1.140 187 T CB -0.707 68.164 68.868 0.004 0.000 0.864 187 T HN 0.492 nan 8.240 nan 0.000 0.455 188 A N 0.702 123.372 122.820 -0.250 0.000 2.121 188 A HA 0.078 4.402 4.320 0.005 0.000 0.218 188 A C 2.187 179.557 177.584 -0.356 0.000 1.154 188 A CA 0.664 52.466 52.037 -0.392 0.000 0.679 188 A CB -0.739 17.855 19.000 -0.676 0.000 0.795 188 A HN 0.529 nan 8.150 nan 0.000 0.458 189 I N -0.160 120.165 120.570 -0.408 0.000 2.076 189 I HA -0.321 3.852 4.170 0.005 0.000 0.237 189 I C 2.448 178.417 176.117 -0.247 0.000 1.059 189 I CA 1.977 63.029 61.300 -0.413 0.000 1.317 189 I CB -0.494 37.109 38.000 -0.662 0.000 1.037 189 I HN 0.455 nan 8.210 nan 0.000 0.398 190 N N 0.697 119.251 118.700 -0.243 0.000 2.149 190 N HA -0.267 4.476 4.740 0.005 0.000 0.188 190 N C 1.742 177.200 175.510 -0.087 0.000 1.019 190 N CA 1.339 54.302 53.050 -0.146 0.000 0.857 190 N CB -0.052 38.361 38.487 -0.125 0.000 0.997 190 N HN 0.196 nan 8.380 nan 0.000 0.426 191 E N -0.660 119.490 120.200 -0.083 0.000 2.160 191 E HA -0.053 4.300 4.350 0.005 0.000 0.195 191 E C 1.308 177.924 176.600 0.026 0.000 0.991 191 E CA 1.446 57.827 56.400 -0.032 0.000 0.810 191 E CB -0.667 29.004 29.700 -0.048 0.000 0.742 191 E HN 0.431 nan 8.360 nan 0.000 0.466 192 G N -1.411 107.427 108.800 0.063 0.000 3.448 192 G HA2 0.309 4.272 3.960 0.005 0.000 0.261 192 G HA3 0.309 4.272 3.960 0.005 0.000 0.261 192 G C 0.766 175.672 174.900 0.010 0.000 1.173 192 G CA -0.006 45.136 45.100 0.070 0.000 0.835 192 G HN 0.478 nan 8.290 nan 0.000 0.534 193 G N -0.457 108.330 108.800 -0.022 0.000 2.283 193 G HA2 -0.295 3.669 3.960 0.005 0.000 0.280 193 G HA3 -0.295 3.669 3.960 0.005 0.000 0.280 193 G C 0.146 175.024 174.900 -0.037 0.000 1.029 193 G CA 0.685 45.761 45.100 -0.040 0.000 0.840 193 G HN 0.744 nan 8.290 nan 0.000 0.505 194 Q N -0.928 118.842 119.800 -0.050 0.000 2.257 194 Q HA 0.752 5.095 4.340 0.005 0.000 0.262 194 Q C 0.304 176.245 176.000 -0.099 0.000 0.997 194 Q CA -0.997 54.773 55.803 -0.055 0.000 0.873 194 Q CB 1.007 29.718 28.738 -0.046 0.000 1.312 194 Q HN 0.464 nan 8.270 nan 0.000 0.450 195 R N 2.127 122.582 120.500 -0.075 0.000 2.686 195 R HA 0.560 4.903 4.340 0.005 0.000 0.283 195 R C -0.990 175.274 176.300 -0.061 0.000 0.978 195 R CA -0.833 55.215 56.100 -0.087 0.000 0.897 195 R CB 1.515 31.793 30.300 -0.037 0.000 1.192 195 R HN 0.536 nan 8.270 nan 0.000 0.457 196 I N 2.093 122.600 120.570 -0.105 0.000 2.389 196 I HA 0.175 4.348 4.170 0.005 0.000 0.288 196 I C 0.753 176.923 176.117 0.088 0.000 0.999 196 I CA -0.513 60.777 61.300 -0.017 0.000 1.129 196 I CB 1.563 39.427 38.000 -0.227 0.000 1.288 196 I HN 0.709 nan 8.210 nan 0.000 0.444 197 S N 7.441 123.267 115.700 0.209 0.000 2.600 197 S HA 0.484 4.957 4.470 0.005 0.000 0.265 197 S C -2.516 172.245 174.600 0.269 0.000 1.325 197 S CA -0.833 57.497 58.200 0.217 0.000 1.002 197 S CB 0.596 63.940 63.200 0.240 0.000 0.921 197 S HN 0.364 nan 8.310 nan 0.000 0.554 198 P HA 0.199 nan 4.420 nan 0.000 0.269 198 P C -0.531 176.947 177.300 0.297 0.000 1.217 198 P CA -0.165 63.065 63.100 0.217 0.000 0.783 198 P CB 0.203 31.991 31.700 0.147 0.000 0.898 199 I N 1.595 122.332 120.570 0.277 0.000 2.441 199 I HA 0.116 4.289 4.170 0.005 0.000 0.287 199 I C 0.944 177.244 176.117 0.306 0.000 1.049 199 I CA -0.143 61.370 61.300 0.355 0.000 1.381 199 I CB 0.509 38.659 38.000 0.249 0.000 1.409 199 I HN 0.323 nan 8.210 nan 0.000 0.523 200 Q N 5.975 125.981 119.800 0.343 0.000 2.303 200 Q HA 0.369 4.712 4.340 0.005 0.000 0.257 200 Q C -1.389 174.791 176.000 0.301 0.000 0.941 200 Q CA -0.674 55.290 55.803 0.269 0.000 0.931 200 Q CB 1.566 30.439 28.738 0.224 0.000 1.215 200 Q HN 0.500 nan 8.270 nan 0.000 0.437 201 V N 5.529 125.583 119.914 0.234 0.000 2.368 201 V HA 0.094 4.217 4.120 0.005 0.000 0.266 201 V C 0.182 176.375 176.094 0.165 0.000 1.045 201 V CA -0.300 62.124 62.300 0.206 0.000 0.899 201 V CB 0.886 32.755 31.823 0.076 0.000 1.006 201 V HN 0.838 nan 8.190 nan 0.000 0.470 202 N N 3.065 121.881 118.700 0.193 0.000 2.387 202 N HA 0.048 4.791 4.740 0.005 0.000 0.176 202 N C 0.417 176.010 175.510 0.139 0.000 1.022 202 N CA 0.458 53.595 53.050 0.145 0.000 0.883 202 N CB 0.114 38.681 38.487 0.134 0.000 1.019 202 N HN 0.660 nan 8.380 nan 0.000 0.435 203 N N -0.554 118.254 118.700 0.181 0.000 2.324 203 N HA 0.342 5.085 4.740 0.005 0.000 0.285 203 N C -2.169 173.499 175.510 0.263 0.000 1.076 203 N CA -0.707 52.452 53.050 0.182 0.000 0.864 203 N CB 1.110 39.686 38.487 0.148 0.000 1.632 203 N HN -0.045 nan 8.380 nan 0.000 0.478 204 F N 2.104 122.095 119.950 0.068 0.000 2.588 204 F HA 0.768 5.298 4.527 0.005 0.000 0.318 204 F C -0.310 175.591 175.800 0.169 0.000 1.155 204 F CA 0.046 58.087 58.000 0.068 0.000 0.967 204 F CB 1.300 40.220 39.000 -0.133 0.000 1.236 204 F HN 0.601 nan 8.300 nan 0.000 0.455 205 G N 3.064 111.717 108.800 -0.245 0.000 2.430 205 G HA2 0.485 4.448 3.960 0.005 0.000 0.300 205 G HA3 0.485 4.448 3.960 0.005 0.000 0.300 205 G C -2.585 172.293 174.900 -0.036 0.000 1.330 205 G CA -0.367 44.712 45.100 -0.036 0.000 0.813 205 G HN 1.032 nan 8.290 nan 0.000 0.487 206 V N -0.064 119.772 119.914 -0.130 0.000 2.495 206 V HA 0.733 4.856 4.120 0.005 0.000 0.298 206 V C -0.324 175.645 176.094 -0.208 0.000 1.031 206 V CA -0.544 61.532 62.300 -0.374 0.000 0.871 206 V CB 1.373 32.927 31.823 -0.449 0.000 0.988 206 V HN 0.787 nan 8.190 nan 0.000 0.432 207 E N 3.569 123.640 120.200 -0.215 0.000 2.227 207 E HA 0.598 4.952 4.350 0.005 0.000 0.268 207 E C -0.814 175.708 176.600 -0.129 0.000 0.990 207 E CA -0.506 55.816 56.400 -0.129 0.000 0.856 207 E CB 2.117 31.758 29.700 -0.098 0.000 1.159 207 E HN 0.685 nan 8.360 nan 0.000 0.401 212 G N 1.743 110.516 108.800 -0.044 0.000 2.576 212 G HA2 -0.095 3.868 3.960 0.005 0.000 0.686 212 G HA3 -0.095 3.868 3.960 0.005 0.000 0.686 212 G C -3.175 171.677 174.900 -0.080 0.000 1.242 212 G CA -1.164 43.904 45.100 -0.053 0.000 0.819 212 G HN -0.014 nan 8.290 nan 0.000 0.655 213 P HA 0.444 nan 4.420 nan 0.000 0.271 213 P C 0.134 177.317 177.300 -0.196 0.000 1.220 213 P CA -0.139 62.866 63.100 -0.160 0.000 0.768 213 P CB 1.456 33.050 31.700 -0.175 0.000 0.848 214 V N 1.416 121.184 119.914 -0.243 0.000 2.709 214 V HA 0.852 4.976 4.120 0.005 0.000 0.308 214 V C -0.052 175.774 176.094 -0.446 0.000 1.062 214 V CA -0.781 61.363 62.300 -0.260 0.000 0.901 214 V CB 1.888 33.632 31.823 -0.133 0.000 1.003 214 V HN 0.615 nan 8.190 nan 0.000 0.425 215 G N 3.991 112.447 108.800 -0.574 0.000 2.364 215 G HA2 0.558 4.521 3.960 0.005 0.000 0.267 215 G HA3 0.558 4.521 3.960 0.005 0.000 0.267 215 G C -0.257 174.499 174.900 -0.239 0.000 1.233 215 G CA 0.197 44.742 45.100 -0.925 0.000 0.885 215 G HN 1.894 nan 8.290 nan 0.000 0.490 216 V N 0.775 120.624 119.914 -0.108 0.000 2.680 216 V HA 0.955 5.078 4.120 0.005 0.000 0.309 216 V C -0.173 176.041 176.094 0.200 0.000 1.052 216 V CA -0.485 61.860 62.300 0.076 0.000 0.908 216 V CB 1.618 33.459 31.823 0.030 0.000 1.001 216 V HN 1.217 nan 8.190 nan 0.000 0.431 217 S N 3.521 119.369 115.700 0.246 0.000 2.556 217 S HA 0.777 5.250 4.470 0.005 0.000 0.271 217 S C -0.966 173.843 174.600 0.348 0.000 1.135 217 S CA -0.954 57.436 58.200 0.317 0.000 0.858 217 S CB 2.242 65.650 63.200 0.348 0.000 1.114 217 S HN 1.239 nan 8.310 nan 0.000 0.468 218 R N 1.903 122.612 120.500 0.350 0.000 2.502 218 R HA 0.590 4.933 4.340 0.005 0.000 0.300 218 R C -1.609 174.923 176.300 0.387 0.000 0.984 218 R CA -0.547 55.728 56.100 0.291 0.000 0.882 218 R CB 1.098 31.499 30.300 0.168 0.000 1.180 218 R HN 0.882 nan 8.270 nan 0.000 0.444 219 W N 2.745 124.118 121.300 0.121 0.000 3.083 219 W HA 0.566 5.229 4.660 0.005 0.000 0.333 219 W C -1.706 174.924 176.519 0.184 0.000 1.217 219 W CA -1.132 56.297 57.345 0.140 0.000 1.170 219 W CB 0.804 30.335 29.460 0.118 0.000 1.437 219 W HN 0.331 nan 8.180 nan 0.000 0.557 220 K N 1.599 122.225 120.400 0.376 0.000 2.469 220 K HA 0.704 5.028 4.320 0.005 0.000 0.254 220 K C -1.402 175.489 176.600 0.486 0.000 0.939 220 K CA -0.610 55.833 56.287 0.260 0.000 0.812 220 K CB 3.044 35.656 32.500 0.187 0.000 1.301 220 K HN 0.452 nan 8.250 nan 0.000 0.433 221 F N -1.536 118.572 119.950 0.264 0.000 2.693 221 F HA 0.610 5.140 4.527 0.005 0.000 0.309 221 F C -1.092 174.854 175.800 0.244 0.000 1.129 221 F CA -0.904 57.279 58.000 0.305 0.000 0.948 221 F CB 1.382 40.652 39.000 0.450 0.000 1.315 221 F HN 0.442 nan 8.300 nan 0.000 0.447 222 S N 0.076 115.872 115.700 0.161 0.000 2.566 222 S HA 0.795 5.268 4.470 0.005 0.000 0.298 222 S C -1.291 173.388 174.600 0.130 0.000 1.083 222 S CA -0.529 57.571 58.200 -0.167 0.000 0.978 222 S CB 1.387 64.276 63.200 -0.517 0.000 1.073 222 S HN 1.226 nan 8.310 nan 0.000 0.491 223 H N -0.496 118.500 119.070 -0.124 0.000 2.797 223 H HA 0.902 5.461 4.556 0.005 0.000 0.372 223 H C -0.673 174.551 175.328 -0.175 0.000 1.168 223 H CA -1.180 54.843 56.048 -0.042 0.000 1.163 223 H CB 1.581 31.385 29.762 0.070 0.000 1.778 223 H HN 0.944 nan 8.280 nan 0.000 0.551 224 A N 1.387 124.081 122.820 -0.209 0.000 2.527 224 A HA 0.844 5.167 4.320 0.005 0.000 0.293 224 A C -0.535 176.954 177.584 -0.158 0.000 1.117 224 A CA -0.504 51.369 52.037 -0.273 0.000 0.723 224 A CB 1.623 20.550 19.000 -0.122 0.000 1.313 224 A HN 1.208 nan 8.150 nan 0.000 0.411 225 G N -0.899 107.801 108.800 -0.167 0.000 2.667 225 G HA2 0.514 4.478 3.960 0.005 0.000 0.298 225 G HA3 0.514 4.478 3.960 0.005 0.000 0.298 225 G C 0.315 175.199 174.900 -0.027 0.000 1.377 225 G CA 0.382 45.437 45.100 -0.074 0.000 0.964 225 G HN 1.472 nan 8.290 nan 0.000 0.493 226 S N -0.404 115.295 115.700 -0.002 0.000 2.593 226 S HA 0.430 4.904 4.470 0.005 0.000 0.217 226 S C 1.575 176.185 174.600 0.017 0.000 0.966 226 S CA 0.923 59.130 58.200 0.012 0.000 0.914 226 S CB 0.349 63.523 63.200 -0.043 0.000 0.776 226 S HN 2.290 nan 8.310 nan 0.000 0.523 227 G N 1.007 109.846 108.800 0.064 0.000 2.551 227 G HA2 -0.147 3.816 3.960 0.005 0.000 0.186 227 G HA3 -0.147 3.816 3.960 0.005 0.000 0.186 227 G C 0.610 175.693 174.900 0.305 0.000 1.002 227 G CA 0.026 45.252 45.100 0.211 0.000 0.723 227 G HN 0.449 nan 8.290 nan 0.000 0.481 228 I N 1.515 122.197 120.570 0.187 0.000 2.500 228 I HA 0.056 4.229 4.170 0.005 0.000 0.252 228 I C 1.173 177.352 176.117 0.103 0.000 1.142 228 I CA 0.535 61.950 61.300 0.191 0.000 1.451 228 I CB 0.089 38.154 38.000 0.109 0.000 1.093 228 I HN 0.003 nan 8.210 nan 0.000 0.430 229 V N 3.431 123.385 119.914 0.067 0.000 2.409 229 V HA -0.081 4.042 4.120 0.005 0.000 0.270 229 V C 0.930 177.066 176.094 0.069 0.000 1.019 229 V CA 0.384 62.714 62.300 0.051 0.000 1.066 229 V CB 0.012 31.865 31.823 0.050 0.000 1.021 229 V HN 0.320 nan 8.190 nan 0.000 0.476 230 D N 3.230 123.672 120.400 0.070 0.000 2.183 230 D HA -0.123 4.520 4.640 0.005 0.000 0.203 230 D C 2.112 178.479 176.300 0.112 0.000 0.969 230 D CA 1.487 55.537 54.000 0.083 0.000 0.842 230 D CB 0.151 40.987 40.800 0.061 0.000 0.957 230 D HN 0.723 nan 8.370 nan 0.000 0.484 231 S N 0.556 116.338 115.700 0.138 0.000 2.442 231 S HA -0.094 4.379 4.470 0.005 0.000 0.236 231 S C 2.059 176.798 174.600 0.231 0.000 1.007 231 S CA 0.576 58.905 58.200 0.215 0.000 0.965 231 S CB -0.217 63.149 63.200 0.277 0.000 0.773 231 S HN 0.285 nan 8.310 nan 0.000 0.504 232 I N 1.632 122.249 120.570 0.079 0.000 2.947 232 I HA -0.036 4.137 4.170 0.005 0.000 0.263 232 I C 2.720 178.759 176.117 -0.130 0.000 1.130 232 I CA 0.873 62.096 61.300 -0.128 0.000 1.448 232 I CB -0.295 37.530 38.000 -0.291 0.000 1.222 232 I HN 0.407 nan 8.210 nan 0.000 0.453 233 S N 1.408 117.125 115.700 0.029 0.000 2.402 233 S HA -0.079 4.394 4.470 0.005 0.000 0.229 233 S C 1.562 176.333 174.600 0.285 0.000 1.021 233 S CA 0.736 59.048 58.200 0.187 0.000 0.974 233 S CB -0.254 63.050 63.200 0.174 0.000 0.800 233 S HN 0.386 nan 8.310 nan 0.000 0.484 234 R N -0.225 120.402 120.500 0.212 0.000 2.816 234 R HA 0.255 4.599 4.340 0.005 0.000 0.382 234 R C 0.861 177.292 176.300 0.218 0.000 1.140 234 R CA -0.399 55.821 56.100 0.200 0.000 1.050 234 R CB -0.228 30.139 30.300 0.111 0.000 1.396 234 R HN 0.548 nan 8.270 nan 0.000 0.583 235 W N 1.265 122.609 121.300 0.075 0.000 2.304 235 W HA -0.324 4.339 4.660 0.005 0.000 0.315 235 W C 1.191 177.764 176.519 0.091 0.000 1.233 235 W CA 2.455 59.824 57.345 0.040 0.000 1.261 235 W CB -0.033 29.411 29.460 -0.026 0.000 1.150 235 W HN 0.306 nan 8.180 nan 0.000 0.494 236 A N 0.088 122.955 122.820 0.078 0.000 1.898 236 A HA -0.209 4.114 4.320 0.005 0.000 0.214 236 A C 1.948 179.498 177.584 -0.056 0.000 1.183 236 A CA 1.577 53.582 52.037 -0.053 0.000 0.622 236 A CB -1.133 17.918 19.000 0.086 0.000 0.824 236 A HN 0.483 nan 8.150 nan 0.000 0.444 237 E N 0.245 120.444 120.200 -0.000 0.000 2.118 237 E HA -0.216 4.137 4.350 0.005 0.000 0.195 237 E C 1.748 178.322 176.600 -0.042 0.000 0.992 237 E CA 1.645 58.031 56.400 -0.023 0.000 0.804 237 E CB -0.294 29.409 29.700 0.005 0.000 0.741 237 E HN 0.623 nan 8.360 nan 0.000 0.458 238 L N -1.349 119.856 121.223 -0.029 0.000 2.551 238 L HA 0.142 4.485 4.340 0.005 0.000 0.228 238 L C 0.542 177.426 176.870 0.024 0.000 1.153 238 L CA 0.952 55.781 54.840 -0.018 0.000 0.851 238 L CB -0.188 41.866 42.059 -0.008 0.000 0.959 238 L HN 0.011 nan 8.230 nan 0.000 0.451 239 F N 2.646 122.464 119.950 -0.219 0.000 2.660 239 F HA 0.585 5.115 4.527 0.006 0.000 0.352 239 F C -2.561 173.140 175.800 -0.166 0.000 1.257 239 F CA -3.104 54.768 58.000 -0.214 0.000 1.200 239 F CB 0.842 39.642 39.000 -0.333 0.000 1.473 239 F HN -0.061 nan 8.300 nan 0.000 0.561 240 P HA 0.051 nan 4.420 nan 0.000 0.218 240 P C 1.282 178.306 177.300 -0.461 0.000 1.793 240 P CA 0.425 63.316 63.100 -0.347 0.000 0.941 240 P CB 0.543 32.079 31.700 -0.273 0.000 1.919 241 V N 1.721 121.174 119.914 -0.768 0.000 2.453 241 V HA -0.249 3.875 4.120 0.005 0.000 0.252 241 V C 2.159 178.081 176.094 -0.285 0.000 1.068 241 V CA 2.368 64.275 62.300 -0.655 0.000 1.070 241 V CB -0.595 30.730 31.823 -0.830 0.000 0.664 241 V HN 0.325 nan 8.190 nan 0.000 0.461 242 E N -1.155 118.914 120.200 -0.219 0.000 2.409 242 E HA -0.222 4.132 4.350 0.005 0.000 0.198 242 E C 1.668 178.241 176.600 -0.044 0.000 1.024 242 E CA 1.049 57.390 56.400 -0.100 0.000 0.861 242 E CB -0.283 29.373 29.700 -0.074 0.000 0.788 242 E HN 0.653 nan 8.360 nan 0.000 0.521 243 Q N 0.110 119.873 119.800 -0.061 0.000 2.281 243 Q HA 0.166 4.509 4.340 0.005 0.000 0.215 243 Q C 0.292 176.416 176.000 0.207 0.000 0.867 243 Q CA -0.178 55.658 55.803 0.056 0.000 0.940 243 Q CB 0.471 29.181 28.738 -0.047 0.000 1.111 243 Q HN 0.186 nan 8.270 nan 0.000 0.513 244 L N 3.625 124.893 121.223 0.076 0.000 2.399 244 L HA 0.083 4.426 4.340 0.005 0.000 0.257 244 L C 0.626 177.617 176.870 0.202 0.000 1.236 244 L CA 0.101 55.052 54.840 0.187 0.000 1.144 244 L CB -0.118 41.949 42.059 0.013 0.000 1.379 244 L HN 0.036 nan 8.230 nan 0.000 0.414 245 N N 2.038 120.891 118.700 0.256 0.000 2.322 245 N HA 0.020 4.763 4.740 0.005 0.000 0.194 245 N C -0.343 175.202 175.510 0.058 0.000 1.126 245 N CA -0.055 53.058 53.050 0.105 0.000 0.845 245 N CB 0.080 38.596 38.487 0.048 0.000 0.976 245 N HN 0.648 nan 8.380 nan 0.000 0.475 246 K N -2.143 118.334 120.400 0.129 0.000 2.615 246 K HA 0.506 4.830 4.320 0.005 0.000 0.291 246 K C -3.453 173.266 176.600 0.198 0.000 1.017 246 K CA -1.734 54.589 56.287 0.060 0.000 0.882 246 K CB 0.603 33.032 32.500 -0.118 0.000 1.522 246 K HN -0.309 nan 8.250 nan 0.000 0.412 247 P HA 0.081 nan 4.420 nan 0.000 0.268 247 P C -1.163 176.312 177.300 0.292 0.000 1.204 247 P CA 0.020 63.215 63.100 0.160 0.000 0.768 247 P CB 0.840 32.587 31.700 0.079 0.000 0.842 248 A N 2.758 125.727 122.820 0.248 0.000 2.337 248 A HA 0.794 5.118 4.320 0.005 0.000 0.331 248 A C -0.350 177.276 177.584 0.070 0.000 1.137 248 A CA -0.279 51.883 52.037 0.208 0.000 0.807 248 A CB 1.013 19.988 19.000 -0.042 0.000 1.250 248 A HN 0.544 nan 8.150 nan 0.000 0.468 249 S N 0.342 116.078 115.700 0.060 0.000 2.537 249 S HA 0.726 5.199 4.470 0.005 0.000 0.271 249 S C -1.028 173.579 174.600 0.011 0.000 1.148 249 S CA -0.481 57.724 58.200 0.008 0.000 0.868 249 S CB 0.930 64.138 63.200 0.014 0.000 1.115 249 S HN 1.284 nan 8.310 nan 0.000 0.461 250 I N 0.732 121.296 120.570 -0.010 0.000 2.769 250 I HA 0.677 4.850 4.170 0.005 0.000 0.298 250 I C -1.341 174.782 176.117 0.010 0.000 1.128 250 I CA -0.377 60.928 61.300 0.009 0.000 1.031 250 I CB 2.061 40.067 38.000 0.010 0.000 1.235 250 I HN 0.961 nan 8.210 nan 0.000 0.423 251 E N 3.954 124.170 120.200 0.026 0.000 2.331 251 E HA 0.717 5.071 4.350 0.005 0.000 0.275 251 E C -1.404 175.223 176.600 0.046 0.000 0.895 251 E CA -0.860 55.557 56.400 0.028 0.000 0.753 251 E CB 2.330 32.043 29.700 0.022 0.000 1.216 251 E HN 0.818 nan 8.360 nan 0.000 0.434 252 G N 0.757 109.588 108.800 0.051 0.000 2.704 252 G HA2 0.724 4.687 3.960 0.005 0.000 0.293 252 G HA3 0.724 4.687 3.960 0.005 0.000 0.293 252 G C -1.127 173.809 174.900 0.061 0.000 1.421 252 G CA -0.341 44.804 45.100 0.075 0.000 0.870 252 G HN 0.566 nan 8.290 nan 0.000 0.492 253 G N -0.879 107.970 108.800 0.081 0.000 2.742 253 G HA2 0.771 4.734 3.960 0.005 0.000 0.296 253 G HA3 0.771 4.734 3.960 0.005 0.000 0.296 253 G C -1.282 173.694 174.900 0.125 0.000 1.436 253 G CA -0.545 44.571 45.100 0.026 0.000 0.928 253 G HN 1.443 nan 8.290 nan 0.000 0.520 254 F N -0.287 119.689 119.950 0.044 0.000 2.599 254 F HA 0.897 5.427 4.527 0.005 0.000 0.311 254 F C -0.601 175.222 175.800 0.038 0.000 1.076 254 F CA -1.761 56.266 58.000 0.044 0.000 0.937 254 F CB 1.815 40.846 39.000 0.052 0.000 1.282 254 F HN 0.448 nan 8.300 nan 0.000 0.460 255 R N 1.790 122.493 120.500 0.338 0.000 2.561 255 R HA 0.721 5.064 4.340 0.005 0.000 0.297 255 R C -1.291 175.180 176.300 0.285 0.000 0.969 255 R CA -0.846 55.396 56.100 0.237 0.000 0.879 255 R CB 2.236 32.603 30.300 0.111 0.000 1.178 255 R HN 1.015 nan 8.270 nan 0.000 0.445 256 S N 0.985 116.848 115.700 0.271 0.000 2.588 256 S HA 0.698 5.171 4.470 0.005 0.000 0.275 256 S C -1.238 173.433 174.600 0.119 0.000 1.130 256 S CA -0.848 57.457 58.200 0.175 0.000 0.855 256 S CB 2.562 65.853 63.200 0.151 0.000 1.116 256 S HN 0.653 nan 8.310 nan 0.000 0.472 257 D N -0.420 120.025 120.400 0.076 0.000 2.946 257 D HA 0.323 4.966 4.640 0.005 0.000 0.337 257 D C 0.559 176.881 176.300 0.037 0.000 1.332 257 D CA 0.054 54.087 54.000 0.055 0.000 0.935 257 D CB 0.157 40.987 40.800 0.049 0.000 1.440 257 D HN 0.621 nan 8.370 nan 0.000 0.540 258 S N -1.647 114.069 115.700 0.027 0.000 2.607 258 S HA -0.004 4.469 4.470 0.005 0.000 0.224 258 S C 1.007 175.619 174.600 0.019 0.000 0.969 258 S CA 0.720 58.930 58.200 0.017 0.000 0.927 258 S CB -0.232 62.974 63.200 0.009 0.000 0.772 258 S HN 0.421 nan 8.310 nan 0.000 0.533 259 Q N 0.082 119.898 119.800 0.026 0.000 2.280 259 Q HA 0.479 4.822 4.340 0.005 0.000 0.244 259 Q C 0.614 176.635 176.000 0.034 0.000 0.847 259 Q CA 0.484 56.304 55.803 0.029 0.000 0.945 259 Q CB 1.636 30.391 28.738 0.029 0.000 1.115 259 Q HN 0.640 nan 8.270 nan 0.000 0.513 260 G N -0.373 108.449 108.800 0.036 0.000 2.523 260 G HA2 0.574 4.537 3.960 0.005 0.000 0.291 260 G HA3 0.574 4.537 3.960 0.005 0.000 0.291 260 G C -1.823 173.103 174.900 0.042 0.000 1.450 260 G CA -0.676 44.447 45.100 0.039 0.000 0.790 260 G HN 0.021 nan 8.290 nan 0.000 0.496 261 I N 0.620 121.213 120.570 0.038 0.000 2.569 261 I HA 0.471 4.644 4.170 0.005 0.000 0.290 261 I C -0.667 175.486 176.117 0.060 0.000 1.088 261 I CA -0.711 60.613 61.300 0.040 0.000 1.047 261 I CB 2.474 40.466 38.000 -0.013 0.000 1.237 261 I HN 0.803 nan 8.210 nan 0.000 0.421 262 E N 6.216 126.477 120.200 0.102 0.000 2.314 262 E HA 0.778 5.131 4.350 0.005 0.000 0.272 262 E C -1.942 174.750 176.600 0.154 0.000 0.884 262 E CA -0.834 55.628 56.400 0.103 0.000 0.753 262 E CB 3.355 33.106 29.700 0.086 0.000 1.213 262 E HN 0.329 nan 8.360 nan 0.000 0.432 263 V N 2.077 122.070 119.914 0.133 0.000 3.012 263 V HA 0.687 4.810 4.120 0.005 0.000 0.307 263 V C -1.975 174.194 176.094 0.126 0.000 1.166 263 V CA -0.459 61.942 62.300 0.169 0.000 0.974 263 V CB 2.040 33.967 31.823 0.173 0.000 1.040 263 V HN 0.912 nan 8.190 nan 0.000 0.428 264 K N 4.437 124.911 120.400 0.124 0.000 2.498 264 K HA 0.887 5.210 4.320 0.005 0.000 0.254 264 K C -2.398 174.263 176.600 0.102 0.000 0.933 264 K CA -0.726 55.622 56.287 0.101 0.000 0.806 264 K CB 2.580 35.124 32.500 0.073 0.000 1.301 264 K HN 0.523 nan 8.250 nan 0.000 0.432 265 V N 2.643 122.619 119.914 0.102 0.000 2.789 265 V HA 0.535 4.658 4.120 0.005 0.000 0.311 265 V C -1.506 174.637 176.094 0.082 0.000 1.073 265 V CA -0.461 61.895 62.300 0.094 0.000 0.921 265 V CB 1.950 33.837 31.823 0.106 0.000 1.009 265 V HN 1.070 nan 8.190 nan 0.000 0.426 266 D N 2.322 122.761 120.400 0.066 0.000 2.837 266 D HA 0.665 5.308 4.640 0.005 0.000 0.220 266 D C -0.574 175.756 176.300 0.050 0.000 1.236 266 D CA -0.303 53.733 54.000 0.059 0.000 0.838 266 D CB 2.684 43.517 40.800 0.054 0.000 1.647 266 D HN 0.853 nan 8.370 nan 0.000 0.486 267 G N 0.085 108.915 108.800 0.050 0.000 2.677 267 G HA2 0.475 4.438 3.960 0.005 0.000 0.291 267 G HA3 0.475 4.438 3.960 0.005 0.000 0.291 267 G C -1.869 173.070 174.900 0.066 0.000 1.435 267 G CA -0.934 44.194 45.100 0.047 0.000 0.826 267 G HN 0.563 nan 8.290 nan 0.000 0.491 268 N N -0.335 118.421 118.700 0.092 0.000 2.519 268 N HA 0.676 5.419 4.740 0.005 0.000 0.286 268 N C -0.728 174.903 175.510 0.202 0.000 1.079 268 N CA -0.677 52.478 53.050 0.175 0.000 0.878 268 N CB 1.157 39.766 38.487 0.202 0.000 1.375 268 N HN 0.854 nan 8.380 nan 0.000 0.514 269 L N 0.113 121.377 121.223 0.068 0.000 2.622 269 L HA 0.862 5.205 4.340 0.005 0.000 0.258 269 L C -2.976 173.449 176.870 -0.742 0.000 0.996 269 L CA -2.120 52.479 54.840 -0.401 0.000 0.858 269 L CB 2.181 44.087 42.059 -0.255 0.000 1.449 269 L HN 0.219 nan 8.230 nan 0.000 0.411 270 P HA 0.341 nan 4.420 nan 0.000 0.274 270 P C 0.638 177.639 177.300 -0.497 0.000 1.246 270 P CA 0.965 63.363 63.100 -1.169 0.000 0.795 270 P CB 1.024 32.029 31.700 -1.159 0.000 1.006 271 G N -1.024 107.595 108.800 -0.302 0.000 2.175 271 G HA2 -0.258 3.706 3.960 0.005 0.000 0.244 271 G HA3 -0.258 3.706 3.960 0.005 0.000 0.244 271 G C 0.819 175.649 174.900 -0.116 0.000 0.982 271 G CA 0.212 45.205 45.100 -0.178 0.000 0.641 271 G HN 0.387 nan 8.290 nan 0.000 0.527 272 V N 1.076 120.930 119.914 -0.101 0.000 2.548 272 V HA 0.143 4.266 4.120 0.005 0.000 0.249 272 V C 1.846 177.925 176.094 -0.025 0.000 1.055 272 V CA 2.238 64.501 62.300 -0.062 0.000 1.065 272 V CB -0.020 31.779 31.823 -0.041 0.000 0.681 272 V HN 1.119 nan 8.190 nan 0.000 0.462 273 S N -0.061 115.647 115.700 0.012 0.000 2.704 273 S HA 0.794 5.268 4.470 0.005 0.000 0.305 273 S C -0.529 174.087 174.600 0.028 0.000 1.107 273 S CA -0.765 57.476 58.200 0.068 0.000 0.993 273 S CB 2.928 66.238 63.200 0.184 0.000 1.110 273 S HN 0.369 nan 8.310 nan 0.000 0.534 274 R N -0.034 120.479 120.500 0.022 0.000 2.629 274 R HA 0.301 4.645 4.340 0.005 0.000 0.266 274 R C -2.068 174.210 176.300 -0.036 0.000 1.051 274 R CA -0.506 55.586 56.100 -0.012 0.000 0.895 274 R CB 1.471 31.757 30.300 -0.022 0.000 1.246 274 R HN 0.799 nan 8.270 nan 0.000 0.459 275 D N 2.089 122.466 120.400 -0.037 0.000 2.450 275 D HA 0.099 4.743 4.640 0.005 0.000 0.247 275 D C 0.149 176.415 176.300 -0.057 0.000 1.162 275 D CA 0.620 54.589 54.000 -0.052 0.000 0.879 275 D CB 1.623 42.402 40.800 -0.035 0.000 1.163 275 D HN 0.592 nan 8.370 nan 0.000 0.472 276 A N 2.984 125.758 122.820 -0.076 0.000 2.303 276 A HA 0.557 4.880 4.320 0.005 0.000 0.217 276 A C 1.065 178.613 177.584 -0.060 0.000 1.205 276 A CA 0.715 52.712 52.037 -0.066 0.000 0.875 276 A CB -0.342 18.612 19.000 -0.077 0.000 0.910 276 A HN 1.003 nan 8.150 nan 0.000 0.501 277 G N -2.296 106.469 108.800 -0.058 0.000 2.690 277 G HA2 0.397 4.360 3.960 0.005 0.000 0.686 277 G HA3 0.397 4.360 3.960 0.005 0.000 0.686 277 G C 0.997 175.866 174.900 -0.053 0.000 1.277 277 G CA 0.172 45.243 45.100 -0.049 0.000 0.799 277 G HN 2.023 nan 8.290 nan 0.000 0.613 278 G N -0.931 107.843 108.800 -0.044 0.000 2.179 278 G HA2 0.349 4.312 3.960 0.005 0.000 0.257 278 G HA3 0.349 4.312 3.960 0.005 0.000 0.257 278 G C 1.953 176.825 174.900 -0.046 0.000 1.010 278 G CA 1.124 46.198 45.100 -0.042 0.000 0.736 278 G HN 3.172 nan 8.290 nan 0.000 0.513 279 G N -2.014 106.755 108.800 -0.051 0.000 2.176 279 G HA2 -0.201 3.762 3.960 0.005 0.000 0.253 279 G HA3 -0.201 3.762 3.960 0.005 0.000 0.253 279 G C 0.419 175.270 174.900 -0.082 0.000 0.979 279 G CA 0.608 45.673 45.100 -0.057 0.000 0.641 279 G HN 1.302 nan 8.290 nan 0.000 0.530 280 L N 0.142 121.310 121.223 -0.093 0.000 2.399 280 L HA 0.743 5.086 4.340 0.005 0.000 0.265 280 L C 1.029 177.779 176.870 -0.200 0.000 1.089 280 L CA -0.996 53.762 54.840 -0.138 0.000 0.802 280 L CB 1.099 43.099 42.059 -0.100 0.000 1.180 280 L HN 0.094 nan 8.230 nan 0.000 0.454 281 R N 1.057 121.328 120.500 -0.382 0.000 2.832 281 R HA 0.634 4.977 4.340 0.005 0.000 0.271 281 R C -1.045 175.052 176.300 -0.339 0.000 0.996 281 R CA -0.957 54.878 56.100 -0.442 0.000 0.977 281 R CB 2.435 32.295 30.300 -0.733 0.000 1.168 281 R HN 0.630 nan 8.270 nan 0.000 0.482 282 R N 1.077 121.511 120.500 -0.110 0.000 2.807 282 R HA 0.472 4.816 4.340 0.005 0.000 0.276 282 R C -0.578 175.787 176.300 0.108 0.000 0.979 282 R CA -0.814 55.303 56.100 0.028 0.000 0.928 282 R CB 0.959 31.251 30.300 -0.013 0.000 1.191 282 R HN 0.424 nan 8.270 nan 0.000 0.471 283 I N 3.740 124.359 120.570 0.083 0.000 2.648 283 I HA 0.003 4.176 4.170 0.005 0.000 0.284 283 I C 1.094 177.177 176.117 -0.056 0.000 1.153 283 I CA -0.473 60.818 61.300 -0.015 0.000 1.426 283 I CB 0.612 38.525 38.000 -0.146 0.000 1.381 283 I HN 0.552 nan 8.210 nan 0.000 0.571 284 L N 5.146 126.337 121.223 -0.053 0.000 2.529 284 L HA 0.109 4.452 4.340 0.005 0.000 0.287 284 L C 0.197 177.032 176.870 -0.058 0.000 1.241 284 L CA -0.460 54.348 54.840 -0.054 0.000 0.857 284 L CB -0.010 42.011 42.059 -0.062 0.000 1.113 284 L HN 0.505 nan 8.230 nan 0.000 0.504 285 N N 1.478 120.160 118.700 -0.030 0.000 2.356 285 N HA -0.085 4.658 4.740 0.005 0.000 0.252 285 N C -0.051 175.476 175.510 0.028 0.000 1.241 285 N CA 0.175 53.228 53.050 0.004 0.000 0.861 285 N CB -0.095 38.397 38.487 0.008 0.000 1.075 285 N HN 0.628 nan 8.380 nan 0.000 0.461 286 H N 4.021 123.098 119.070 0.012 0.000 2.929 286 H HA 0.077 4.636 4.556 0.005 0.000 0.317 286 H C -1.974 173.371 175.328 0.028 0.000 1.031 286 H CA -1.237 54.834 56.048 0.038 0.000 1.466 286 H CB 0.341 30.173 29.762 0.116 0.000 1.482 286 H HN 0.374 nan 8.280 nan 0.000 0.561 287 P HA -0.054 nan 4.420 nan 0.000 0.265 287 P C 0.849 178.298 177.300 0.248 0.000 1.193 287 P CA 0.105 63.273 63.100 0.112 0.000 0.765 287 P CB 1.073 32.776 31.700 0.005 0.000 0.823 288 L N 2.570 123.872 121.223 0.132 0.000 2.249 288 L HA -0.043 4.301 4.340 0.005 0.000 0.207 288 L C 2.410 179.291 176.870 0.018 0.000 1.090 288 L CA 0.440 55.339 54.840 0.098 0.000 0.802 288 L CB -0.461 41.666 42.059 0.114 0.000 0.947 288 L HN 0.308 nan 8.230 nan 0.000 0.453 289 I N 0.898 121.441 120.570 -0.045 0.000 2.163 289 I HA -0.183 3.990 4.170 0.005 0.000 0.243 289 I C -0.002 175.969 176.117 -0.244 0.000 1.085 289 I CA 1.973 63.124 61.300 -0.248 0.000 1.347 289 I CB -2.207 35.612 38.000 -0.302 0.000 1.044 289 I HN 0.150 nan 8.210 nan 0.000 0.408 290 P HA -0.133 nan 4.420 nan 0.000 0.215 290 P C 2.228 179.553 177.300 0.042 0.000 1.153 290 P CA 1.352 64.466 63.100 0.024 0.000 0.853 290 P CB -0.029 31.730 31.700 0.098 0.000 0.788 291 L N -1.419 119.807 121.223 0.005 0.000 2.027 291 L HA -0.123 4.221 4.340 0.005 0.000 0.206 291 L C 2.376 179.236 176.870 -0.017 0.000 1.074 291 L CA 1.332 56.130 54.840 -0.070 0.000 0.745 291 L CB -1.267 40.685 42.059 -0.177 0.000 0.898 291 L HN -0.136 nan 8.230 nan 0.000 0.433 292 V N -0.655 119.257 119.914 -0.004 0.000 2.343 292 V HA -0.294 3.829 4.120 0.005 0.000 0.247 292 V C 2.327 178.504 176.094 0.138 0.000 1.051 292 V CA 1.760 64.083 62.300 0.039 0.000 1.036 292 V CB -0.806 31.044 31.823 0.046 0.000 0.654 292 V HN 0.477 nan 8.190 nan 0.000 0.451 293 H N -1.449 117.616 119.070 -0.007 0.000 2.363 293 H HA -0.138 4.421 4.556 0.006 0.000 0.301 293 H C 2.374 177.689 175.328 -0.022 0.000 1.074 293 H CA 1.361 57.399 56.048 -0.017 0.000 1.354 293 H CB -0.007 29.756 29.762 0.002 0.000 1.397 293 H HN 0.438 nan 8.280 nan 0.000 0.516 294 H N 0.905 120.005 119.070 0.050 0.000 2.491 294 H HA -0.058 4.501 4.556 0.006 0.000 0.290 294 H C 2.139 177.401 175.328 -0.110 0.000 1.050 294 H CA 1.058 57.081 56.048 -0.043 0.000 1.309 294 H CB -0.169 29.558 29.762 -0.058 0.000 1.392 294 H HN 0.426 nan 8.280 nan 0.000 0.554 295 G N 0.462 109.266 108.800 0.006 0.000 2.470 295 G HA2 -0.212 3.751 3.960 0.005 0.000 0.220 295 G HA3 -0.212 3.751 3.960 0.005 0.000 0.220 295 G C 1.743 176.516 174.900 -0.211 0.000 1.121 295 G CA 0.504 45.547 45.100 -0.095 0.000 0.766 295 G HN 0.393 nan 8.290 nan 0.000 0.553 296 M N 0.415 119.898 119.600 -0.194 0.000 2.476 296 M HA 0.046 4.529 4.480 0.005 0.000 0.262 296 M C 2.129 178.193 176.300 -0.394 0.000 1.079 296 M CA 0.821 55.990 55.300 -0.217 0.000 1.104 296 M CB 0.278 32.804 32.600 -0.124 0.000 1.409 296 M HN 0.241 nan 8.290 nan 0.000 0.467 297 V N -5.339 114.262 119.914 -0.522 0.000 3.604 297 V HA 0.397 4.520 4.120 0.005 0.000 0.277 297 V C 1.672 177.278 176.094 -0.813 0.000 1.399 297 V CA 0.632 62.525 62.300 -0.678 0.000 1.034 297 V CB -0.685 30.933 31.823 -0.342 0.000 0.824 297 V HN 0.312 nan 8.190 nan 0.000 0.439 298 G N 0.749 109.167 108.800 -0.637 0.000 2.920 298 G HA2 0.044 4.007 3.960 0.005 0.000 0.208 298 G HA3 0.044 4.007 3.960 0.005 0.000 0.208 298 G C 1.162 175.934 174.900 -0.213 0.000 1.159 298 G CA 0.212 45.112 45.100 -0.334 0.000 0.784 298 G HN 0.574 nan 8.290 nan 0.000 0.535 299 K N -0.075 120.063 120.400 -0.436 0.000 2.372 299 K HA 0.234 4.558 4.320 0.005 0.000 0.200 299 K C 0.685 177.225 176.600 -0.099 0.000 1.022 299 K CA -0.366 55.783 56.287 -0.230 0.000 1.125 299 K CB 0.240 32.604 32.500 -0.227 0.000 0.855 299 K HN 0.187 nan 8.250 nan 0.000 0.524 300 F N 1.365 121.321 119.950 0.010 0.000 2.710 300 F HA 0.115 4.645 4.527 0.006 0.000 0.298 300 F C -0.055 175.762 175.800 0.027 0.000 1.137 300 F CA -0.147 57.853 58.000 0.002 0.000 1.444 300 F CB -0.291 38.694 39.000 -0.026 0.000 1.111 300 F HN -0.081 nan 8.300 nan 0.000 0.580 301 N N -0.648 118.184 118.700 0.218 0.000 2.369 301 N HA 0.146 4.889 4.740 0.005 0.000 0.287 301 N C -1.604 174.042 175.510 0.226 0.000 1.067 301 N CA -0.675 52.486 53.050 0.184 0.000 0.888 301 N CB 1.616 40.200 38.487 0.161 0.000 1.616 301 N HN -0.207 nan 8.380 nan 0.000 0.482 302 D N 1.678 122.155 120.400 0.129 0.000 2.414 302 D HA 0.220 4.863 4.640 0.005 0.000 0.242 302 D C -0.579 175.807 176.300 0.143 0.000 1.129 302 D CA 0.759 54.789 54.000 0.051 0.000 0.885 302 D CB 0.479 41.268 40.800 -0.019 0.000 1.198 302 D HN 0.361 nan 8.370 nan 0.000 0.437 303 F N -1.948 117.991 119.950 -0.018 0.000 2.619 303 F HA 0.460 4.990 4.527 0.005 0.000 0.308 303 F C -0.085 175.693 175.800 -0.035 0.000 1.097 303 F CA -1.190 56.794 58.000 -0.026 0.000 0.953 303 F CB 0.869 39.852 39.000 -0.030 0.000 1.287 303 F HN 0.130 nan 8.300 nan 0.000 0.446 304 T N -0.174 114.438 114.554 0.097 0.000 2.918 304 T HA 0.721 5.074 4.350 0.005 0.000 0.283 304 T C -0.784 174.005 174.700 0.148 0.000 1.001 304 T CA -0.736 61.381 62.100 0.028 0.000 1.041 304 T CB 1.700 70.571 68.868 0.005 0.000 1.028 304 T HN 0.667 nan 8.240 nan 0.000 0.511 305 V N 2.103 122.071 119.914 0.090 0.000 2.384 305 V HA 0.459 4.582 4.120 0.005 0.000 0.287 305 V C -0.640 175.490 176.094 0.060 0.000 1.020 305 V CA -0.611 61.764 62.300 0.124 0.000 0.850 305 V CB 1.362 33.266 31.823 0.135 0.000 0.987 305 V HN 1.091 nan 8.190 nan 0.000 0.436 306 D N 3.838 124.251 120.400 0.022 0.000 2.438 306 D HA 0.507 5.150 4.640 0.005 0.000 0.257 306 D C -0.151 176.213 176.300 0.107 0.000 1.148 306 D CA -0.086 53.951 54.000 0.061 0.000 0.902 306 D CB 1.174 42.002 40.800 0.046 0.000 1.062 306 D HN 0.685 nan 8.370 nan 0.000 0.518 307 T N 0.233 114.881 114.554 0.158 0.000 2.901 307 T HA 0.673 5.026 4.350 0.005 0.000 0.293 307 T C -0.798 174.062 174.700 0.267 0.000 1.084 307 T CA -0.918 61.295 62.100 0.189 0.000 1.008 307 T CB 2.032 71.063 68.868 0.271 0.000 1.170 307 T HN 0.272 nan 8.240 nan 0.000 0.509 308 Q N 0.851 120.793 119.800 0.236 0.000 2.309 308 Q HA 0.614 4.957 4.340 0.005 0.000 0.273 308 Q C -2.191 173.989 176.000 0.301 0.000 1.040 308 Q CA -1.021 54.942 55.803 0.266 0.000 0.834 308 Q CB 2.233 31.065 28.738 0.157 0.000 1.345 308 Q HN 0.772 nan 8.270 nan 0.000 0.414 309 L N 3.044 124.445 121.223 0.297 0.000 2.322 309 L HA 0.617 4.960 4.340 0.005 0.000 0.281 309 L C -1.515 175.538 176.870 0.305 0.000 1.014 309 L CA -0.041 54.979 54.840 0.299 0.000 0.815 309 L CB 1.556 43.678 42.059 0.105 0.000 1.247 309 L HN 0.594 nan 8.230 nan 0.000 0.421 310 K N 4.390 124.943 120.400 0.255 0.000 2.323 310 K HA 0.659 4.982 4.320 0.005 0.000 0.259 310 K C -1.876 174.855 176.600 0.218 0.000 0.947 310 K CA -0.668 55.761 56.287 0.237 0.000 0.819 310 K CB 1.698 34.283 32.500 0.142 0.000 1.109 310 K HN 0.564 nan 8.250 nan 0.000 0.429 311 V N 4.493 124.585 119.914 0.297 0.000 2.448 311 V HA 0.367 4.490 4.120 0.005 0.000 0.295 311 V C -0.663 175.527 176.094 0.159 0.000 1.025 311 V CA -0.885 61.536 62.300 0.202 0.000 0.859 311 V CB 1.799 33.767 31.823 0.241 0.000 0.988 311 V HN 0.508 nan 8.190 nan 0.000 0.431 312 V N 6.410 126.358 119.914 0.056 0.000 2.350 312 V HA 0.451 4.575 4.120 0.005 0.000 0.285 312 V C 0.078 176.140 176.094 -0.053 0.000 1.014 312 V CA -0.471 61.840 62.300 0.018 0.000 0.831 312 V CB 1.346 33.167 31.823 -0.003 0.000 1.000 312 V HN 0.634 nan 8.190 nan 0.000 0.433 313 L N 5.762 126.956 121.223 -0.048 0.000 2.468 313 L HA 0.443 4.786 4.340 0.005 0.000 0.254 313 L C -2.099 174.682 176.870 -0.148 0.000 1.171 313 L CA -1.725 53.011 54.840 -0.173 0.000 0.809 313 L CB 0.617 42.628 42.059 -0.081 0.000 1.155 313 L HN 0.376 nan 8.230 nan 0.000 0.473 314 P HA 0.126 nan 4.420 nan 0.000 0.272 314 P C -0.645 176.651 177.300 -0.008 0.000 1.223 314 P CA -0.406 62.547 63.100 -0.245 0.000 0.784 314 P CB 0.303 31.647 31.700 -0.593 0.000 0.923 315 K N 1.216 121.648 120.400 0.053 0.000 2.491 315 K HA 0.338 4.661 4.320 0.005 0.000 0.279 315 K C 1.354 178.104 176.600 0.251 0.000 1.026 315 K CA 0.417 56.774 56.287 0.116 0.000 1.070 315 K CB -1.665 30.878 32.500 0.070 0.000 0.887 315 K HN 0.961 nan 8.250 nan 0.000 0.481 316 G N 0.654 109.577 108.800 0.205 0.000 2.195 316 G HA2 -0.221 3.742 3.960 0.005 0.000 0.246 316 G HA3 -0.221 3.742 3.960 0.005 0.000 0.246 316 G C 0.243 175.255 174.900 0.186 0.000 0.984 316 G CA 0.434 45.636 45.100 0.169 0.000 0.633 316 G HN 0.818 nan 8.290 nan 0.000 0.525 317 Y N 1.467 121.822 120.300 0.091 0.000 2.335 317 Y HA 0.589 5.144 4.550 0.008 0.000 0.323 317 Y C 0.944 176.941 175.900 0.161 0.000 1.224 317 Y CA 0.033 58.222 58.100 0.148 0.000 1.241 317 Y CB 1.198 39.782 38.460 0.206 0.000 1.235 317 Y HN 0.305 nan 8.280 nan 0.000 0.492 318 K N 1.415 122.012 120.400 0.329 0.000 2.508 318 K HA 0.540 4.864 4.320 0.005 0.000 0.260 318 K C -1.565 175.187 176.600 0.253 0.000 0.949 318 K CA -0.815 55.651 56.287 0.298 0.000 0.834 318 K CB 1.908 34.545 32.500 0.227 0.000 1.365 318 K HN 0.571 nan 8.250 nan 0.000 0.437 319 I N 2.693 123.323 120.570 0.101 0.000 2.556 319 I HA 0.045 4.218 4.170 0.005 0.000 0.284 319 I C 1.147 177.360 176.117 0.159 0.000 1.114 319 I CA -0.395 60.921 61.300 0.026 0.000 1.418 319 I CB 0.588 38.373 38.000 -0.358 0.000 1.394 319 I HN 0.551 nan 8.210 nan 0.000 0.552 320 R N 4.795 125.408 120.500 0.189 0.000 2.225 320 R HA 0.148 4.491 4.340 0.005 0.000 0.194 320 R C -0.617 175.835 176.300 0.253 0.000 0.957 320 R CA 0.376 56.588 56.100 0.186 0.000 1.042 320 R CB 0.244 30.628 30.300 0.141 0.000 1.004 320 R HN 0.650 nan 8.270 nan 0.000 0.509 321 Y N -0.458 119.906 120.300 0.106 0.000 2.390 321 Y HA 0.518 5.069 4.550 0.002 0.000 0.324 321 Y C -1.985 173.998 175.900 0.139 0.000 1.151 321 Y CA -1.062 57.096 58.100 0.096 0.000 1.053 321 Y CB 1.591 40.087 38.460 0.060 0.000 1.277 321 Y HN 0.009 nan 8.280 nan 0.000 0.432 322 A N 4.202 126.793 122.820 -0.382 0.000 2.381 322 A HA 0.957 5.280 4.320 0.005 0.000 0.299 322 A C -1.664 175.714 177.584 -0.342 0.000 1.049 322 A CA -0.092 51.866 52.037 -0.133 0.000 0.715 322 A CB 1.046 20.249 19.000 0.338 0.000 1.222 322 A HN 1.632 nan 8.150 nan 0.000 0.428 323 A N 3.800 126.538 122.820 -0.137 0.000 2.497 323 A HA 0.775 5.098 4.320 0.005 0.000 0.280 323 A C -3.204 174.435 177.584 0.093 0.000 1.065 323 A CA -1.355 50.633 52.037 -0.082 0.000 0.781 323 A CB 0.970 19.867 19.000 -0.171 0.000 1.289 323 A HN 0.479 nan 8.150 nan 0.000 0.415 324 P HA 0.131 nan 4.420 nan 0.000 0.267 324 P C -0.314 177.060 177.300 0.123 0.000 1.200 324 P CA 0.321 63.378 63.100 -0.072 0.000 0.772 324 P CB 0.416 32.019 31.700 -0.162 0.000 0.855 325 Q N 1.666 121.445 119.800 -0.035 0.000 2.373 325 Q HA 0.237 4.580 4.340 0.005 0.000 0.255 325 Q C 0.121 175.918 176.000 -0.339 0.000 0.980 325 Q CA -0.264 55.406 55.803 -0.222 0.000 0.882 325 Q CB 0.035 28.541 28.738 -0.388 0.000 1.249 325 Q HN 0.394 nan 8.270 nan 0.000 0.438 326 F N -0.586 119.031 119.950 -0.554 0.000 2.490 326 F HA 0.199 4.728 4.527 0.002 0.000 0.336 326 F C 1.270 176.691 175.800 -0.632 0.000 1.178 326 F CA -0.822 56.360 58.000 -1.362 0.000 1.301 326 F CB 0.499 38.547 39.000 -1.588 0.000 1.175 326 F HN 0.485 nan 8.300 nan 0.000 0.593 327 R N 1.304 121.615 120.500 -0.314 0.000 2.057 327 R HA 0.135 4.478 4.340 0.005 0.000 0.224 327 R C -0.027 176.276 176.300 0.005 0.000 1.136 327 R CA 1.262 57.295 56.100 -0.111 0.000 0.968 327 R CB -0.268 30.003 30.300 -0.048 0.000 0.863 327 R HN 0.912 nan 8.270 nan 0.000 0.433 328 S N -1.399 114.323 115.700 0.037 0.000 2.627 328 S HA 0.412 4.885 4.470 0.005 0.000 0.283 328 S C -1.338 173.222 174.600 -0.066 0.000 1.127 328 S CA -0.950 57.270 58.200 0.033 0.000 0.863 328 S CB 1.983 65.170 63.200 -0.022 0.000 1.121 328 S HN 0.313 nan 8.310 nan 0.000 0.479 329 Q N 0.521 120.236 119.800 -0.142 0.000 2.377 329 Q HA 0.540 4.883 4.340 0.005 0.000 0.279 329 Q C -2.227 173.585 176.000 -0.313 0.000 1.049 329 Q CA -0.580 54.975 55.803 -0.413 0.000 0.825 329 Q CB 1.921 30.340 28.738 -0.532 0.000 1.401 329 Q HN 0.784 nan 8.270 nan 0.000 0.404 330 N N 4.170 122.632 118.700 -0.396 0.000 2.581 330 N HA 0.370 5.113 4.740 0.005 0.000 0.279 330 N C -0.346 174.983 175.510 -0.302 0.000 1.124 330 N CA -0.119 52.773 53.050 -0.263 0.000 0.833 330 N CB 0.515 38.899 38.487 -0.172 0.000 1.338 330 N HN 0.873 nan 8.380 nan 0.000 0.533 331 L N 0.746 121.810 121.223 -0.265 0.000 6.412 331 L HA -0.390 3.953 4.340 0.005 0.000 0.053 331 L C 0.832 177.509 176.870 -0.321 0.000 2.199 331 L CA 1.394 56.107 54.840 -0.211 0.000 1.611 331 L CB -0.908 41.078 42.059 -0.123 0.000 2.801 331 L HN 0.491 nan 8.230 nan 0.000 1.044 332 E N 0.193 120.281 120.200 -0.187 0.000 2.511 332 E HA 0.023 4.376 4.350 0.005 0.000 0.196 332 E C 0.236 176.732 176.600 -0.173 0.000 1.066 332 E CA 0.405 56.745 56.400 -0.101 0.000 0.871 332 E CB 0.079 29.784 29.700 0.009 0.000 0.863 332 E HN 0.324 nan 8.360 nan 0.000 0.520 333 E N 0.388 120.374 120.200 -0.357 0.000 2.156 333 E HA 0.231 4.584 4.350 0.005 0.000 0.279 333 E C -1.209 175.063 176.600 -0.546 0.000 0.965 333 E CA -0.532 55.706 56.400 -0.270 0.000 0.789 333 E CB 0.588 30.193 29.700 -0.159 0.000 1.098 333 E HN 0.015 nan 8.360 nan 0.000 0.397 334 Y N 2.415 122.600 120.300 -0.191 0.000 2.462 334 Y HA 0.505 5.057 4.550 0.003 0.000 0.346 334 Y C 0.040 175.841 175.900 -0.165 0.000 0.976 334 Y CA -1.077 56.795 58.100 -0.379 0.000 1.044 334 Y CB 1.955 40.019 38.460 -0.660 0.000 1.230 334 Y HN 0.337 nan 8.280 nan 0.000 0.455 335 R N 1.757 122.186 120.500 -0.118 0.000 2.686 335 R HA 0.404 4.747 4.340 0.005 0.000 0.286 335 R C -1.644 174.607 176.300 -0.082 0.000 0.969 335 R CA -0.856 55.273 56.100 0.048 0.000 0.898 335 R CB 2.300 32.621 30.300 0.035 0.000 1.183 335 R HN 0.673 nan 8.270 nan 0.000 0.456 336 W N 1.516 122.765 121.300 -0.085 0.000 2.587 336 W HA 0.434 5.097 4.660 0.006 0.000 0.324 336 W C -0.216 176.233 176.519 -0.116 0.000 1.040 336 W CA -0.523 56.676 57.345 -0.244 0.000 1.222 336 W CB 2.315 31.230 29.460 -0.908 0.000 1.381 336 W HN 0.664 nan 8.180 nan 0.000 0.483 337 S N 1.388 117.239 115.700 0.251 0.000 2.565 337 S HA 0.742 5.215 4.470 0.005 0.000 0.274 337 S C -0.218 174.545 174.600 0.272 0.000 1.144 337 S CA -0.143 58.258 58.200 0.335 0.000 0.849 337 S CB 1.402 64.732 63.200 0.217 0.000 1.103 337 S HN 1.253 nan 8.310 nan 0.000 0.455 338 G N 0.869 109.823 108.800 0.258 0.000 2.749 338 G HA2 0.284 4.247 3.960 0.005 0.000 0.242 338 G HA3 0.284 4.247 3.960 0.005 0.000 0.242 338 G C 1.127 176.124 174.900 0.161 0.000 1.364 338 G CA 0.750 45.950 45.100 0.167 0.000 0.888 338 G HN 2.630 nan 8.290 nan 0.000 0.566 339 G N -0.933 107.926 108.800 0.098 0.000 2.652 339 G HA2 0.068 4.031 3.960 0.005 0.000 0.318 339 G HA3 0.068 4.031 3.960 0.005 0.000 0.318 339 G C 1.847 176.798 174.900 0.085 0.000 1.295 339 G CA 2.691 47.836 45.100 0.075 0.000 0.999 339 G HN 2.544 nan 8.290 nan 0.000 0.548 340 A N -1.747 121.121 122.820 0.080 0.000 1.933 340 A HA 0.067 4.390 4.320 0.005 0.000 0.218 340 A C 2.239 179.897 177.584 0.124 0.000 1.175 340 A CA 2.591 54.672 52.037 0.073 0.000 0.628 340 A CB -0.587 18.436 19.000 0.039 0.000 0.814 340 A HN 1.387 nan 8.150 nan 0.000 0.444 341 Y N 0.656 120.992 120.300 0.060 0.000 2.181 341 Y HA -0.063 4.491 4.550 0.006 0.000 0.288 341 Y C 2.599 178.610 175.900 0.184 0.000 1.146 341 Y CA 1.085 59.232 58.100 0.078 0.000 1.164 341 Y CB -0.555 37.999 38.460 0.158 0.000 0.982 341 Y HN 0.301 nan 8.280 nan 0.000 0.515 342 A N 0.543 123.415 122.820 0.087 0.000 1.933 342 A HA -0.179 4.144 4.320 0.005 0.000 0.218 342 A C 2.327 179.897 177.584 -0.023 0.000 1.175 342 A CA 1.746 53.791 52.037 0.012 0.000 0.628 342 A CB -0.586 18.469 19.000 0.091 0.000 0.814 342 A HN 0.525 nan 8.150 nan 0.000 0.444 343 R N -2.416 118.090 120.500 0.011 0.000 2.115 343 R HA -0.163 4.181 4.340 0.005 0.000 0.230 343 R C 1.976 178.286 176.300 0.017 0.000 1.111 343 R CA 1.377 57.478 56.100 0.003 0.000 0.976 343 R CB -0.317 29.990 30.300 0.011 0.000 0.870 343 R HN 0.798 nan 8.270 nan 0.000 0.445 344 W N 0.724 121.916 121.300 -0.180 0.000 2.388 344 W HA -0.157 4.508 4.660 0.008 0.000 0.294 344 W C 1.637 178.052 176.519 -0.173 0.000 1.212 344 W CA 0.966 58.192 57.345 -0.197 0.000 1.271 344 W CB -0.108 29.177 29.460 -0.291 0.000 1.126 344 W HN -0.250 nan 8.180 nan 0.000 0.535 345 V N 0.751 120.522 119.914 -0.238 0.000 2.295 345 V HA -0.321 3.802 4.120 0.005 0.000 0.246 345 V C 2.287 178.268 176.094 -0.188 0.000 1.049 345 V CA 2.400 64.505 62.300 -0.324 0.000 1.024 345 V CB -1.026 30.681 31.823 -0.193 0.000 0.648 345 V HN 0.299 nan 8.190 nan 0.000 0.447 346 E N -0.298 119.871 120.200 -0.052 0.000 2.038 346 E HA -0.323 4.030 4.350 0.005 0.000 0.195 346 E C 2.311 178.888 176.600 -0.038 0.000 1.000 346 E CA 1.742 58.163 56.400 0.034 0.000 0.803 346 E CB -0.350 29.286 29.700 -0.107 0.000 0.750 346 E HN 0.762 nan 8.360 nan 0.000 0.448 347 H N 0.204 119.140 119.070 -0.224 0.000 2.265 347 H HA -0.142 4.417 4.556 0.006 0.000 0.295 347 H C 2.136 177.267 175.328 -0.328 0.000 1.084 347 H CA 2.087 57.983 56.048 -0.254 0.000 1.261 347 H CB -0.195 29.401 29.762 -0.277 0.000 1.360 347 H HN 0.155 nan 8.280 nan 0.000 0.487 348 V N 0.237 119.848 119.914 -0.505 0.000 2.626 348 V HA -0.219 3.904 4.120 0.005 0.000 0.252 348 V C 2.871 178.718 176.094 -0.412 0.000 1.067 348 V CA 1.373 63.305 62.300 -0.614 0.000 1.081 348 V CB -0.549 30.621 31.823 -1.087 0.000 0.686 348 V HN 0.592 nan 8.190 nan 0.000 0.468 349 C N -0.407 118.723 119.300 -0.283 0.000 2.456 349 C HA -0.030 4.433 4.460 0.005 0.000 0.279 349 C C 2.294 177.303 174.990 0.033 0.000 1.427 349 C CA 0.559 59.490 59.018 -0.144 0.000 1.778 349 C CB -1.024 26.678 27.740 -0.063 0.000 1.842 349 C HN 0.515 nan 8.230 nan 0.000 0.531 350 K N -0.256 120.109 120.400 -0.058 0.000 2.358 350 K HA 0.261 4.584 4.320 0.005 0.000 0.197 350 K C 1.344 177.854 176.600 -0.149 0.000 1.025 350 K CA 0.725 56.967 56.287 -0.074 0.000 1.104 350 K CB 0.458 32.912 32.500 -0.077 0.000 0.855 350 K HN 0.448 nan 8.250 nan 0.000 0.531 351 G N 0.881 109.569 108.800 -0.187 0.000 2.205 351 G HA2 -0.178 3.786 3.960 0.005 0.000 0.180 351 G HA3 -0.178 3.786 3.960 0.005 0.000 0.180 351 G C 0.373 175.111 174.900 -0.270 0.000 1.004 351 G CA -0.484 44.508 45.100 -0.179 0.000 0.670 351 G HN 0.396 nan 8.290 nan 0.000 0.496 352 G N 0.238 108.722 108.800 -0.526 0.000 2.491 352 G HA2 0.517 4.480 3.960 0.005 0.000 0.242 352 G HA3 0.517 4.480 3.960 0.005 0.000 0.242 352 G C 0.915 175.630 174.900 -0.307 0.000 1.266 352 G CA 1.140 45.761 45.100 -0.799 0.000 0.844 352 G HN 1.202 nan 8.290 nan 0.000 0.571 353 T N -0.834 113.738 114.554 0.030 0.000 3.252 353 T HA 0.381 4.734 4.350 0.005 0.000 0.286 353 T C 1.048 175.902 174.700 0.257 0.000 1.013 353 T CA 0.219 62.383 62.100 0.108 0.000 0.914 353 T CB 0.348 69.270 68.868 0.089 0.000 1.131 353 T HN 0.782 nan 8.240 nan 0.000 0.529 354 G N 1.475 110.554 108.800 0.465 0.000 2.305 354 G HA2 0.226 4.189 3.960 0.005 0.000 0.243 354 G HA3 0.226 4.189 3.960 0.005 0.000 0.243 354 G C -0.171 174.975 174.900 0.411 0.000 1.288 354 G CA -0.401 44.881 45.100 0.303 0.000 0.901 354 G HN 0.639 nan 8.290 nan 0.000 0.516 355 Q N 1.925 121.884 119.800 0.266 0.000 2.271 355 Q HA 0.188 4.531 4.340 0.005 0.000 0.273 355 Q C -0.753 175.382 176.000 0.226 0.000 1.051 355 Q CA -0.252 55.698 55.803 0.244 0.000 0.901 355 Q CB 0.347 29.169 28.738 0.139 0.000 1.174 355 Q HN 0.530 nan 8.270 nan 0.000 0.385 356 F N 4.425 124.332 119.950 -0.073 0.000 2.361 356 F HA 0.361 4.891 4.527 0.004 0.000 0.364 356 F C -0.696 174.964 175.800 -0.233 0.000 1.117 356 F CA -0.797 56.916 58.000 -0.478 0.000 1.071 356 F CB 0.925 39.085 39.000 -1.400 0.000 1.188 356 F HN 0.574 nan 8.300 nan 0.000 0.464 357 E N 5.861 126.079 120.200 0.031 0.000 2.176 357 E HA 0.512 4.866 4.350 0.005 0.000 0.267 357 E C -1.850 174.726 176.600 -0.039 0.000 0.893 357 E CA -0.806 55.571 56.400 -0.037 0.000 0.761 357 E CB 2.210 32.024 29.700 0.190 0.000 1.133 357 E HN 0.518 nan 8.360 nan 0.000 0.409 358 V N 6.215 126.049 119.914 -0.132 0.000 2.443 358 V HA 0.379 4.502 4.120 0.005 0.000 0.293 358 V C -0.457 175.718 176.094 0.134 0.000 1.021 358 V CA -0.655 61.647 62.300 0.004 0.000 0.848 358 V CB 1.247 32.979 31.823 -0.152 0.000 0.998 358 V HN 0.661 nan 8.190 nan 0.000 0.424 359 L N 6.326 127.688 121.223 0.232 0.000 2.346 359 L HA 0.757 5.100 4.340 0.005 0.000 0.276 359 L C -0.737 176.285 176.870 0.252 0.000 1.006 359 L CA -0.683 54.274 54.840 0.194 0.000 0.817 359 L CB 1.742 43.894 42.059 0.154 0.000 1.272 359 L HN 0.790 nan 8.230 nan 0.000 0.421 360 Y N 1.676 122.019 120.300 0.071 0.000 2.655 360 Y HA 0.957 5.509 4.550 0.004 0.000 0.336 360 Y C -0.875 175.094 175.900 0.116 0.000 1.154 360 Y CA -1.081 57.074 58.100 0.090 0.000 1.055 360 Y CB 1.659 40.175 38.460 0.093 0.000 1.295 360 Y HN 0.693 nan 8.280 nan 0.000 0.465 361 A N 0.762 123.695 122.820 0.189 0.000 2.511 361 A HA 0.755 5.079 4.320 0.005 0.000 0.293 361 A C -1.337 176.181 177.584 -0.110 0.000 1.098 361 A CA -0.360 51.678 52.037 0.003 0.000 0.643 361 A CB 0.952 19.914 19.000 -0.065 0.000 1.302 361 A HN 1.177 nan 8.150 nan 0.000 0.446 362 Q N 0.000 119.593 119.800 -0.345 0.000 2.315 362 Q HA 0.000 4.343 4.340 0.005 0.000 0.214 362 Q CA 0.000 55.512 55.803 -0.485 0.000 1.022 362 Q CB 0.000 28.597 28.738 -0.234 0.000 1.108 362 Q HN 0.000 nan 8.270 nan 0.000 0.481