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 3ku9_1_B DATA FIRST_RESID 3 DATA SEQUENCE VGPRVIVVGA GMSGISAAKR LSEAGITDLL ILEATDHIGG RMHKTNFAGI DATA SEQUENCE NVELGANWVE GVNGGKMNPI WPIVNSTLKL RNFRSDFDYL AQNVYKEDGG DATA SEQUENCE VYDEDYVQKR IELADSVEEM GEKLSATLHA SGRDDMSILA MQRLNEHQPN DATA SEQUENCE GPATPVDMVV DYYKFDYEFA EPPRVTSLQN TVPLATFSDF GDDVYFVADQ DATA SEQUENCE RGYEAVVYYL AGQYLKTDDK SGKIVDPRLQ LNKVVREIKY SPGGVTVKTE DATA SEQUENCE DNSVYSADYV MVSASLGVLQ SDLIQFKPKL PTWKVRAIYQ FDMAVYTMIF DATA SEQUENCE LKFPRKFWPE GKGREFFLYA SSRRGYYGVW QEFEKQYPDA NVLLVTVTDE DATA SEQUENCE ESRRIEQQSD EQTKAEIMQV LRKMFPGKDV PDATDILVPR WWSDRFYKGT DATA SEQUENCE FSNWPVGVNR YEYDQLRAPV GRVYFTGEHT SEHYNGYVHG AYLSGIDSAE DATA SEQUENCE ILINCAQKKM CKYHV 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 3 V HA 0.000 nan 4.120 nan 0.000 0.244 3 V C 0.000 176.095 176.094 0.001 0.000 1.182 3 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 3 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 4 G N 1.082 109.888 108.800 0.010 0.000 2.353 4 G HA2 0.433 4.393 3.960 0.000 0.000 0.308 4 G HA3 0.433 4.393 3.960 0.000 0.000 0.308 4 G C -3.465 171.448 174.900 0.022 0.000 1.418 4 G CA -0.123 44.994 45.100 0.027 0.000 0.966 4 G HN 0.170 nan 8.290 nan 0.000 0.638 5 P HA 0.393 nan 4.420 nan 0.000 0.277 5 P C 0.777 178.091 177.300 0.023 0.000 1.271 5 P CA -0.557 62.557 63.100 0.023 0.000 0.795 5 P CB 1.316 33.028 31.700 0.021 0.000 1.101 6 R N -0.799 119.720 120.500 0.031 0.000 2.066 6 R HA 0.056 4.397 4.340 0.000 0.000 0.232 6 R C 0.014 176.375 176.300 0.102 0.000 1.131 6 R CA 1.231 57.369 56.100 0.064 0.000 0.955 6 R CB -0.229 30.111 30.300 0.066 0.000 0.851 6 R HN 0.312 nan 8.270 nan 0.000 0.432 7 V N 1.470 121.416 119.914 0.053 0.000 2.577 7 V HA 0.323 4.443 4.120 0.000 0.000 0.303 7 V C -0.271 175.819 176.094 -0.007 0.000 1.042 7 V CA -0.744 61.578 62.300 0.037 0.000 0.872 7 V CB 2.122 33.933 31.823 -0.020 0.000 0.998 7 V HN 0.081 nan 8.190 nan 0.000 0.423 8 I N 4.198 124.757 120.570 -0.018 0.000 2.395 8 I HA 0.318 4.489 4.170 0.000 0.000 0.289 8 I C -0.274 175.799 176.117 -0.074 0.000 1.023 8 I CA -0.436 60.825 61.300 -0.065 0.000 1.350 8 I CB 1.583 39.531 38.000 -0.086 0.000 1.409 8 I HN 0.338 nan 8.210 nan 0.000 0.507 9 V N 7.552 127.414 119.914 -0.087 0.000 2.328 9 V HA 0.185 4.305 4.120 0.000 0.000 0.278 9 V C 0.174 176.208 176.094 -0.099 0.000 1.021 9 V CA -0.738 61.512 62.300 -0.083 0.000 0.838 9 V CB 1.243 33.028 31.823 -0.064 0.000 0.999 9 V HN 0.379 nan 8.190 nan 0.000 0.447 10 V N 5.268 125.123 119.914 -0.098 0.000 2.415 10 V HA 0.680 4.800 4.120 0.000 0.000 0.267 10 V C 0.888 176.934 176.094 -0.080 0.000 1.042 10 V CA 0.899 63.136 62.300 -0.105 0.000 1.000 10 V CB 0.200 31.963 31.823 -0.101 0.000 1.015 10 V HN 1.292 nan 8.190 nan 0.000 0.478 11 G N 4.308 113.046 108.800 -0.103 0.000 2.784 11 G HA2 0.313 4.273 3.960 0.000 0.000 0.686 11 G HA3 0.313 4.273 3.960 0.000 0.000 0.686 11 G C -0.233 174.628 174.900 -0.066 0.000 1.156 11 G CA -0.247 44.801 45.100 -0.087 0.000 0.757 11 G HN 1.565 nan 8.290 nan 0.000 0.642 12 A N 1.272 124.047 122.820 -0.075 0.000 2.705 12 A HA 0.808 5.128 4.320 0.000 0.000 0.294 12 A C 1.247 178.800 177.584 -0.052 0.000 1.039 12 A CA 1.117 53.114 52.037 -0.067 0.000 1.005 12 A CB -0.111 18.828 19.000 -0.101 0.000 1.192 12 A HN 2.231 nan 8.150 nan 0.000 0.513 13 G N -1.043 107.754 108.800 -0.005 0.000 2.516 13 G HA2 0.353 4.313 3.960 0.000 0.000 0.276 13 G HA3 0.353 4.313 3.960 0.000 0.000 0.276 13 G C 0.971 175.880 174.900 0.015 0.000 1.390 13 G CA 0.263 45.375 45.100 0.020 0.000 1.050 13 G HN 0.318 nan 8.290 nan 0.000 0.519 14 M N 0.601 120.216 119.600 0.025 0.000 2.082 14 M HA -0.169 4.311 4.480 0.000 0.000 0.258 14 M C 2.731 179.070 176.300 0.064 0.000 1.071 14 M CA 2.951 58.280 55.300 0.049 0.000 1.103 14 M CB -0.901 31.727 32.600 0.047 0.000 1.307 14 M HN 0.601 nan 8.290 nan 0.000 0.409 15 S N -0.609 115.117 115.700 0.043 0.000 2.368 15 S HA -0.016 4.454 4.470 0.000 0.000 0.224 15 S C 2.225 176.817 174.600 -0.014 0.000 1.029 15 S CA 1.288 59.494 58.200 0.010 0.000 0.988 15 S CB -1.806 61.393 63.200 -0.001 0.000 0.838 15 S HN 0.642 nan 8.310 nan 0.000 0.462 16 G N 2.410 111.210 108.800 -0.000 0.000 2.491 16 G HA2 -0.146 3.815 3.960 0.000 0.000 0.218 16 G HA3 -0.146 3.815 3.960 0.000 0.000 0.218 16 G C 1.433 176.334 174.900 0.002 0.000 1.180 16 G CA 1.157 46.251 45.100 -0.011 0.000 0.774 16 G HN 0.484 nan 8.290 nan 0.000 0.562 17 I N 1.084 121.674 120.570 0.033 0.000 2.226 17 I HA -0.118 4.052 4.170 0.000 0.000 0.245 17 I C 2.947 179.103 176.117 0.065 0.000 1.100 17 I CA 1.564 62.928 61.300 0.107 0.000 1.374 17 I CB -1.087 36.973 38.000 0.101 0.000 1.057 17 I HN 0.254 nan 8.210 nan 0.000 0.413 18 S N 0.437 116.144 115.700 0.011 0.000 2.382 18 S HA -0.142 4.328 4.470 0.000 0.000 0.228 18 S C 2.227 176.715 174.600 -0.187 0.000 1.027 18 S CA 1.427 59.572 58.200 -0.091 0.000 0.991 18 S CB -0.125 62.985 63.200 -0.149 0.000 0.823 18 S HN 0.474 nan 8.310 nan 0.000 0.469 19 A N 1.567 124.300 122.820 -0.144 0.000 1.845 19 A HA 0.136 4.457 4.320 0.000 0.000 0.215 19 A C 2.505 179.965 177.584 -0.207 0.000 1.195 19 A CA 2.005 53.947 52.037 -0.159 0.000 0.616 19 A CB -1.567 17.364 19.000 -0.115 0.000 0.832 19 A HN 0.772 nan 8.150 nan 0.000 0.443 20 A N -0.422 122.287 122.820 -0.185 0.000 1.940 20 A HA -0.204 4.116 4.320 0.000 0.000 0.219 20 A C 2.103 179.294 177.584 -0.655 0.000 1.176 20 A CA 2.237 54.137 52.037 -0.228 0.000 0.631 20 A CB -0.503 18.517 19.000 0.033 0.000 0.814 20 A HN 0.590 nan 8.150 nan 0.000 0.446 21 K N -0.801 118.965 120.400 -1.057 0.000 2.032 21 K HA -0.233 4.088 4.320 0.000 0.000 0.209 21 K C 2.282 178.560 176.600 -0.536 0.000 1.048 21 K CA 1.872 57.438 56.287 -1.202 0.000 0.927 21 K CB -0.126 31.958 32.500 -0.694 0.000 0.712 21 K HN 0.288 nan 8.250 nan 0.000 0.441 22 R N 0.710 120.995 120.500 -0.359 0.000 2.090 22 R HA 0.064 4.404 4.340 0.000 0.000 0.228 22 R C 2.037 178.220 176.300 -0.196 0.000 1.110 22 R CA 1.129 57.091 56.100 -0.229 0.000 0.973 22 R CB -0.463 29.719 30.300 -0.196 0.000 0.869 22 R HN 0.260 nan 8.270 nan 0.000 0.440 23 L N -0.125 120.970 121.223 -0.213 0.000 2.017 23 L HA -0.175 4.165 4.340 0.000 0.000 0.208 23 L C 2.441 179.226 176.870 -0.142 0.000 1.073 23 L CA 1.847 56.586 54.840 -0.169 0.000 0.745 23 L CB -0.681 41.282 42.059 -0.161 0.000 0.894 23 L HN 0.367 nan 8.230 nan 0.000 0.432 24 S N -0.105 115.489 115.700 -0.176 0.000 2.353 24 S HA -0.280 4.191 4.470 0.000 0.000 0.222 24 S C 1.804 176.352 174.600 -0.088 0.000 1.035 24 S CA 1.836 59.971 58.200 -0.108 0.000 1.025 24 S CB -0.279 62.861 63.200 -0.100 0.000 0.902 24 S HN 0.404 nan 8.310 nan 0.000 0.440 25 E N 0.915 121.042 120.200 -0.121 0.000 2.114 25 E HA -0.161 4.189 4.350 0.000 0.000 0.199 25 E C 2.072 178.635 176.600 -0.063 0.000 1.008 25 E CA 1.368 57.719 56.400 -0.082 0.000 0.810 25 E CB -0.429 29.214 29.700 -0.095 0.000 0.739 25 E HN 0.722 nan 8.360 nan 0.000 0.456 26 A N -0.633 122.141 122.820 -0.076 0.000 2.239 26 A HA 0.190 4.510 4.320 0.000 0.000 0.209 26 A C 1.768 179.323 177.584 -0.048 0.000 1.171 26 A CA 1.072 53.071 52.037 -0.063 0.000 0.768 26 A CB -0.489 18.463 19.000 -0.080 0.000 0.790 26 A HN 0.414 nan 8.150 nan 0.000 0.478 27 G N -0.739 108.036 108.800 -0.042 0.000 2.253 27 G HA2 -0.255 3.705 3.960 0.000 0.000 0.251 27 G HA3 -0.255 3.705 3.960 0.000 0.000 0.251 27 G C 0.311 175.194 174.900 -0.028 0.000 0.998 27 G CA 0.196 45.279 45.100 -0.028 0.000 0.621 27 G HN 0.591 nan 8.290 nan 0.000 0.524 28 I N 3.301 123.844 120.570 -0.045 0.000 2.352 28 I HA 0.223 4.393 4.170 0.000 0.000 0.303 28 I C 1.876 177.974 176.117 -0.032 0.000 1.194 28 I CA 0.777 62.053 61.300 -0.040 0.000 1.518 28 I CB 0.328 38.290 38.000 -0.063 0.000 1.489 28 I HN 0.289 nan 8.210 nan 0.000 0.702 29 T N -1.500 113.048 114.554 -0.011 0.000 3.065 29 T HA -0.013 4.338 4.350 0.000 0.000 0.252 29 T C 0.977 175.686 174.700 0.015 0.000 1.099 29 T CA -0.146 61.960 62.100 0.010 0.000 1.063 29 T CB -0.114 68.765 68.868 0.020 0.000 0.948 29 T HN 0.323 nan 8.240 nan 0.000 0.506 30 D N 2.051 122.456 120.400 0.008 0.000 2.671 30 D HA 0.220 4.860 4.640 0.000 0.000 0.228 30 D C -0.343 175.962 176.300 0.009 0.000 1.102 30 D CA -0.233 53.774 54.000 0.011 0.000 1.044 30 D CB -0.916 39.891 40.800 0.013 0.000 1.113 30 D HN 0.491 nan 8.370 nan 0.000 0.480 31 L N 1.051 122.279 121.223 0.009 0.000 2.334 31 L HA 0.561 4.901 4.340 0.000 0.000 0.272 31 L C -0.362 176.502 176.870 -0.010 0.000 1.020 31 L CA -1.364 53.476 54.840 0.000 0.000 0.812 31 L CB 1.644 43.710 42.059 0.012 0.000 1.264 31 L HN -0.004 nan 8.230 nan 0.000 0.439 32 L N 2.826 124.028 121.223 -0.036 0.000 2.372 32 L HA 0.559 4.900 4.340 0.000 0.000 0.274 32 L C -0.929 175.879 176.870 -0.103 0.000 0.988 32 L CA -0.042 54.754 54.840 -0.074 0.000 0.833 32 L CB 1.340 43.336 42.059 -0.106 0.000 1.236 32 L HN 0.409 nan 8.230 nan 0.000 0.410 33 I N 6.299 126.814 120.570 -0.091 0.000 2.301 33 I HA 0.277 4.447 4.170 0.000 0.000 0.292 33 I C -0.494 175.532 176.117 -0.152 0.000 1.046 33 I CA -0.202 61.036 61.300 -0.102 0.000 1.282 33 I CB 0.656 38.620 38.000 -0.061 0.000 1.409 33 I HN 0.452 nan 8.210 nan 0.000 0.484 34 L N 6.436 127.545 121.223 -0.189 0.000 2.264 34 L HA 0.466 4.807 4.340 0.000 0.000 0.289 34 L C -0.097 176.659 176.870 -0.190 0.000 1.044 34 L CA -0.369 54.339 54.840 -0.220 0.000 0.807 34 L CB 1.146 43.034 42.059 -0.285 0.000 1.192 34 L HN 0.529 nan 8.230 nan 0.000 0.425 35 E N 2.318 122.402 120.200 -0.194 0.000 2.224 35 E HA 0.494 4.844 4.350 0.000 0.000 0.265 35 E C 0.197 176.621 176.600 -0.294 0.000 0.878 35 E CA -0.338 55.924 56.400 -0.229 0.000 0.759 35 E CB 2.042 31.622 29.700 -0.200 0.000 1.164 35 E HN 0.547 nan 8.360 nan 0.000 0.414 36 A N 3.446 125.997 122.820 -0.449 0.000 1.908 36 A HA -0.040 4.280 4.320 0.000 0.000 0.218 36 A C 1.333 178.594 177.584 -0.538 0.000 1.181 36 A CA 1.943 53.578 52.037 -0.670 0.000 0.627 36 A CB -1.053 17.057 19.000 -1.482 0.000 0.818 36 A HN 0.734 nan 8.150 nan 0.000 0.445 37 T N -3.861 110.395 114.554 -0.497 0.000 2.852 37 T HA 0.374 4.724 4.350 0.000 0.000 0.281 37 T C 0.276 174.871 174.700 -0.175 0.000 0.993 37 T CA 0.228 62.149 62.100 -0.298 0.000 0.933 37 T CB 0.903 69.511 68.868 -0.434 0.000 1.187 37 T HN 0.046 nan 8.240 nan 0.000 0.559 38 D N 0.432 120.834 120.400 0.003 0.000 2.325 38 D HA 0.086 4.726 4.640 0.000 0.000 0.234 38 D C 0.212 176.616 176.300 0.173 0.000 1.122 38 D CA -0.036 54.019 54.000 0.091 0.000 0.850 38 D CB -0.316 40.571 40.800 0.145 0.000 0.921 38 D HN 0.686 nan 8.370 nan 0.000 0.513 39 H N -1.433 117.665 119.070 0.046 0.000 3.037 39 H HA 0.287 4.843 4.556 0.000 0.000 0.355 39 H C -0.074 175.265 175.328 0.018 0.000 1.263 39 H CA -1.067 55.037 56.048 0.093 0.000 1.129 39 H CB 0.332 30.208 29.762 0.191 0.000 1.861 39 H HN -0.062 nan 8.280 nan 0.000 0.546 40 I N -1.670 118.917 120.570 0.029 0.000 2.970 40 I HA 0.625 4.795 4.170 0.000 0.000 0.310 40 I C 1.141 177.242 176.117 -0.027 0.000 1.010 40 I CA 0.335 61.556 61.300 -0.133 0.000 1.228 40 I CB 1.156 38.973 38.000 -0.305 0.000 1.433 40 I HN 0.944 nan 8.210 nan 0.000 0.573 41 G N 0.974 109.740 108.800 -0.057 0.000 2.284 41 G HA2 -0.015 3.945 3.960 0.000 0.000 0.216 41 G HA3 -0.015 3.945 3.960 0.000 0.000 0.216 41 G C 1.025 175.994 174.900 0.114 0.000 1.009 41 G CA 0.171 45.303 45.100 0.053 0.000 0.625 41 G HN 2.055 nan 8.290 nan 0.000 0.501 42 G N 0.538 109.424 108.800 0.142 0.000 2.665 42 G HA2 -0.413 3.547 3.960 0.000 0.000 0.326 42 G HA3 -0.413 3.547 3.960 0.000 0.000 0.326 42 G C 0.880 175.854 174.900 0.122 0.000 1.231 42 G CA 1.413 46.621 45.100 0.179 0.000 0.992 42 G HN 1.162 nan 8.290 nan 0.000 0.549 43 R N 0.320 120.788 120.500 -0.053 0.000 2.319 43 R HA 0.287 4.627 4.340 0.000 0.000 0.204 43 R C 0.720 176.996 176.300 -0.040 0.000 0.954 43 R CA 0.151 56.105 56.100 -0.243 0.000 1.066 43 R CB -0.123 29.909 30.300 -0.447 0.000 0.991 43 R HN 0.416 nan 8.270 nan 0.000 0.486 44 M N 0.477 120.130 119.600 0.087 0.000 2.208 44 M HA 0.165 4.645 4.480 0.000 0.000 0.352 44 M C -1.015 175.491 176.300 0.344 0.000 1.137 44 M CA -0.285 55.096 55.300 0.134 0.000 1.091 44 M CB 1.014 33.590 32.600 -0.041 0.000 1.309 44 M HN -0.094 nan 8.290 nan 0.000 0.408 45 H N 2.642 121.875 119.070 0.272 0.000 2.689 45 H HA 0.482 5.038 4.556 0.000 0.000 0.346 45 H C -1.117 174.338 175.328 0.211 0.000 1.037 45 H CA -0.902 55.297 56.048 0.251 0.000 1.234 45 H CB 1.361 31.299 29.762 0.293 0.000 1.572 45 H HN 0.522 nan 8.280 nan 0.000 0.524 46 K N 1.858 122.183 120.400 -0.125 0.000 2.139 46 K HA 0.749 5.070 4.320 0.000 0.000 0.243 46 K C -0.645 175.755 176.600 -0.334 0.000 0.983 46 K CA -0.854 55.346 56.287 -0.145 0.000 0.890 46 K CB 2.092 34.539 32.500 -0.087 0.000 1.090 46 K HN 0.414 nan 8.250 nan 0.000 0.445 47 T N -0.105 114.333 114.554 -0.193 0.000 2.821 47 T HA 0.204 4.555 4.350 0.000 0.000 0.306 47 T C -1.762 172.864 174.700 -0.124 0.000 1.313 47 T CA -0.968 61.034 62.100 -0.163 0.000 1.012 47 T CB 1.254 70.073 68.868 -0.081 0.000 1.298 47 T HN 0.745 nan 8.240 nan 0.000 0.502 48 N N 2.649 121.292 118.700 -0.095 0.000 2.500 48 N HA 0.197 4.937 4.740 0.000 0.000 0.236 48 N C -1.329 174.142 175.510 -0.064 0.000 1.022 48 N CA -0.301 52.695 53.050 -0.090 0.000 0.935 48 N CB 0.088 38.523 38.487 -0.087 0.000 1.147 48 N HN 0.517 nan 8.380 nan 0.000 0.512 49 F N 4.413 124.219 119.950 -0.240 0.000 2.368 49 F HA 0.411 4.939 4.527 0.000 0.000 0.362 49 F C 0.798 176.487 175.800 -0.185 0.000 1.137 49 F CA -0.403 57.459 58.000 -0.229 0.000 1.161 49 F CB 0.225 39.003 39.000 -0.370 0.000 1.265 49 F HN 0.649 nan 8.300 nan 0.000 0.530 50 A N 4.535 127.048 122.820 -0.511 0.000 2.312 50 A HA 0.104 4.424 4.320 0.000 0.000 0.286 50 A C 1.504 178.986 177.584 -0.170 0.000 1.425 50 A CA 1.275 53.084 52.037 -0.380 0.000 0.748 50 A CB -1.959 16.722 19.000 -0.531 0.000 1.126 50 A HN 2.448 nan 8.150 nan 0.000 0.368 51 G N -1.758 106.966 108.800 -0.127 0.000 2.194 51 G HA2 -0.059 3.902 3.960 0.000 0.000 0.236 51 G HA3 -0.059 3.902 3.960 0.000 0.000 0.236 51 G C 0.323 175.182 174.900 -0.069 0.000 0.987 51 G CA 0.447 45.501 45.100 -0.077 0.000 0.635 51 G HN 2.509 nan 8.290 nan 0.000 0.520 52 I N -3.573 116.937 120.570 -0.100 0.000 3.006 52 I HA 0.659 4.830 4.170 0.000 0.000 0.306 52 I C -1.239 174.770 176.117 -0.180 0.000 1.250 52 I CA -1.594 59.626 61.300 -0.133 0.000 0.996 52 I CB 1.682 39.564 38.000 -0.197 0.000 1.261 52 I HN -0.159 nan 8.210 nan 0.000 0.442 53 N N 3.250 121.852 118.700 -0.164 0.000 2.422 53 N HA 0.527 5.267 4.740 0.000 0.000 0.264 53 N C -0.529 174.830 175.510 -0.251 0.000 1.063 53 N CA -0.260 52.692 53.050 -0.162 0.000 0.959 53 N CB 1.715 40.152 38.487 -0.084 0.000 1.087 53 N HN 0.608 nan 8.380 nan 0.000 0.483 54 V N -0.728 118.992 119.914 -0.322 0.000 2.864 54 V HA 0.575 4.695 4.120 0.000 0.000 0.314 54 V C -0.055 175.921 176.094 -0.197 0.000 1.073 54 V CA -0.984 61.057 62.300 -0.433 0.000 0.956 54 V CB 2.413 33.607 31.823 -1.048 0.000 1.023 54 V HN 0.330 nan 8.190 nan 0.000 0.435 55 E N 2.675 122.864 120.200 -0.019 0.000 2.289 55 E HA 0.372 4.723 4.350 0.000 0.000 0.278 55 E C 0.412 177.214 176.600 0.337 0.000 1.032 55 E CA -0.200 56.291 56.400 0.153 0.000 0.854 55 E CB 2.078 31.875 29.700 0.160 0.000 1.046 55 E HN 0.742 nan 8.360 nan 0.000 0.409 56 L N 1.183 122.630 121.223 0.373 0.000 2.446 56 L HA 0.131 4.471 4.340 0.000 0.000 0.219 56 L C 1.409 178.750 176.870 0.786 0.000 1.116 56 L CA 0.469 55.646 54.840 0.561 0.000 0.844 56 L CB -0.044 42.263 42.059 0.413 0.000 0.970 56 L HN 0.477 nan 8.230 nan 0.000 0.457 57 G N -0.346 108.817 108.800 0.605 0.000 3.075 57 G HA2 0.560 4.520 3.960 0.000 0.000 0.156 57 G HA3 0.560 4.520 3.960 0.000 0.000 0.156 57 G C -0.232 174.827 174.900 0.266 0.000 1.403 57 G CA 0.020 45.351 45.100 0.384 0.000 1.033 57 G HN 0.152 nan 8.290 nan 0.000 0.589 58 A N -0.728 122.197 122.820 0.174 0.000 2.587 58 A HA 0.213 4.533 4.320 0.000 0.000 0.235 58 A C 0.703 178.535 177.584 0.412 0.000 1.044 58 A CA 1.083 53.285 52.037 0.274 0.000 0.754 58 A CB -0.136 18.988 19.000 0.207 0.000 0.968 58 A HN 0.710 nan 8.150 nan 0.000 0.509 59 N N 0.095 118.992 118.700 0.328 0.000 2.168 59 N HA 0.147 4.887 4.740 0.000 0.000 0.216 59 N C -0.720 174.484 175.510 -0.510 0.000 1.259 59 N CA -0.223 52.710 53.050 -0.195 0.000 0.902 59 N CB 0.389 38.565 38.487 -0.519 0.000 1.079 59 N HN 0.754 nan 8.380 nan 0.000 0.507 60 W N 1.262 122.540 121.300 -0.036 0.000 2.761 60 W HA 0.481 5.141 4.660 0.000 0.000 0.340 60 W C -0.734 175.841 176.519 0.094 0.000 1.072 60 W CA -0.678 56.668 57.345 0.002 0.000 1.215 60 W CB 1.366 30.920 29.460 0.157 0.000 1.420 60 W HN -0.428 nan 8.180 nan 0.000 0.519 61 V N 3.017 123.125 119.914 0.323 0.000 2.387 61 V HA 0.028 4.148 4.120 0.000 0.000 0.260 61 V C 0.236 176.536 176.094 0.343 0.000 1.054 61 V CA -0.012 62.524 62.300 0.394 0.000 0.967 61 V CB 0.069 32.148 31.823 0.427 0.000 1.036 61 V HN 0.342 nan 8.190 nan 0.000 0.481 62 E N 3.746 124.124 120.200 0.297 0.000 2.174 62 E HA 0.564 4.914 4.350 0.000 0.000 0.282 62 E C 0.620 177.168 176.600 -0.087 0.000 0.992 62 E CA -0.067 56.420 56.400 0.146 0.000 0.803 62 E CB 1.644 31.393 29.700 0.081 0.000 1.090 62 E HN 0.944 nan 8.360 nan 0.000 0.396 63 G N 1.660 110.447 108.800 -0.022 0.000 2.858 63 G HA2 -0.116 3.845 3.960 0.000 0.000 0.272 63 G HA3 -0.116 3.845 3.960 0.000 0.000 0.272 63 G C -0.616 174.225 174.900 -0.098 0.000 1.003 63 G CA -0.592 44.473 45.100 -0.058 0.000 1.241 63 G HN 0.336 nan 8.290 nan 0.000 0.569 64 V N 2.240 122.110 119.914 -0.073 0.000 2.876 64 V HA 0.758 4.879 4.120 0.000 0.000 0.312 64 V C 0.665 176.706 176.094 -0.088 0.000 1.085 64 V CA -0.405 61.737 62.300 -0.264 0.000 0.945 64 V CB 1.987 33.422 31.823 -0.647 0.000 1.017 64 V HN 0.898 nan 8.190 nan 0.000 0.428 65 N N 1.017 119.656 118.700 -0.102 0.000 2.937 65 N HA -0.123 4.617 4.740 0.000 0.000 0.248 65 N C 0.175 175.701 175.510 0.028 0.000 1.069 65 N CA 1.093 54.136 53.050 -0.010 0.000 0.822 65 N CB -1.055 37.450 38.487 0.030 0.000 1.122 65 N HN 1.042 nan 8.380 nan 0.000 0.554 66 G N -0.735 108.091 108.800 0.043 0.000 3.122 66 G HA2 0.600 4.561 3.960 0.000 0.000 0.180 66 G HA3 0.600 4.561 3.960 0.000 0.000 0.180 66 G C 1.083 176.019 174.900 0.061 0.000 1.279 66 G CA 0.187 45.320 45.100 0.055 0.000 0.987 66 G HN 0.110 nan 8.290 nan 0.000 0.589 67 G N -0.756 108.075 108.800 0.052 0.000 2.440 67 G HA2 0.028 3.988 3.960 0.000 0.000 0.218 67 G HA3 0.028 3.988 3.960 0.000 0.000 0.218 67 G C 0.689 175.635 174.900 0.077 0.000 1.154 67 G CA 0.904 46.032 45.100 0.046 0.000 0.767 67 G HN 0.500 nan 8.290 nan 0.000 0.552 68 K N -1.172 119.314 120.400 0.142 0.000 2.395 68 K HA 0.529 4.850 4.320 0.000 0.000 0.247 68 K C -1.033 175.724 176.600 0.261 0.000 0.973 68 K CA -1.107 55.308 56.287 0.213 0.000 0.828 68 K CB 2.147 34.805 32.500 0.264 0.000 1.272 68 K HN 0.002 nan 8.250 nan 0.000 0.439 69 M N 2.895 122.569 119.600 0.124 0.000 2.251 69 M HA 0.090 4.571 4.480 0.000 0.000 0.346 69 M C -0.331 175.734 176.300 -0.392 0.000 1.499 69 M CA -0.347 54.928 55.300 -0.041 0.000 1.128 69 M CB -0.090 32.502 32.600 -0.013 0.000 1.809 69 M HN 0.401 nan 8.290 nan 0.000 0.464 70 N N 7.700 125.913 118.700 -0.812 0.000 2.417 70 N HA 0.022 4.763 4.740 0.000 0.000 0.272 70 N C -1.879 173.279 175.510 -0.587 0.000 1.304 70 N CA -1.049 51.190 53.050 -1.351 0.000 0.906 70 N CB 0.835 38.721 38.487 -1.002 0.000 1.135 70 N HN 0.459 nan 8.380 nan 0.000 0.483 71 P HA -0.185 nan 4.420 nan 0.000 0.216 71 P C 1.607 178.730 177.300 -0.295 0.000 1.150 71 P CA 0.909 63.853 63.100 -0.259 0.000 0.843 71 P CB 0.298 31.932 31.700 -0.110 0.000 0.787 72 I N -1.266 119.124 120.570 -0.300 0.000 2.264 72 I HA -0.219 3.951 4.170 0.000 0.000 0.248 72 I C 2.615 178.703 176.117 -0.048 0.000 1.111 72 I CA 1.031 62.224 61.300 -0.178 0.000 1.382 72 I CB -1.779 36.214 38.000 -0.011 0.000 1.060 72 I HN 0.154 nan 8.210 nan 0.000 0.418 73 W N 3.072 124.227 121.300 -0.242 0.000 2.333 73 W HA -0.173 4.487 4.660 0.000 0.000 0.316 73 W C -0.582 175.821 176.519 -0.193 0.000 1.215 73 W CA 1.460 58.680 57.345 -0.208 0.000 1.278 73 W CB -1.312 28.006 29.460 -0.236 0.000 1.154 73 W HN 0.089 nan 8.180 nan 0.000 0.486 74 P HA -0.215 nan 4.420 nan 0.000 0.216 74 P C 1.589 178.662 177.300 -0.378 0.000 1.150 74 P CA 2.250 65.145 63.100 -0.341 0.000 0.837 74 P CB -0.357 31.239 31.700 -0.174 0.000 0.786 75 I N -1.501 118.881 120.570 -0.312 0.000 2.142 75 I HA -0.208 3.962 4.170 0.000 0.000 0.240 75 I C 2.241 178.135 176.117 -0.370 0.000 1.078 75 I CA 1.347 62.440 61.300 -0.345 0.000 1.343 75 I CB -1.178 36.661 38.000 -0.267 0.000 1.046 75 I HN -0.176 nan 8.210 nan 0.000 0.405 76 V N 1.310 121.021 119.914 -0.339 0.000 2.233 76 V HA -0.305 3.816 4.120 0.000 0.000 0.247 76 V C 2.244 177.994 176.094 -0.573 0.000 1.050 76 V CA 2.638 64.721 62.300 -0.362 0.000 1.010 76 V CB -0.857 30.814 31.823 -0.254 0.000 0.637 76 V HN 0.463 nan 8.190 nan 0.000 0.444 77 N N -0.922 117.210 118.700 -0.947 0.000 2.336 77 N HA -0.055 4.685 4.740 0.000 0.000 0.177 77 N C 1.822 176.986 175.510 -0.577 0.000 1.018 77 N CA 1.376 53.834 53.050 -0.987 0.000 0.878 77 N CB 0.195 37.651 38.487 -1.719 0.000 0.997 77 N HN 0.418 nan 8.380 nan 0.000 0.433 78 S N -1.363 114.038 115.700 -0.497 0.000 2.431 78 S HA 0.066 4.537 4.470 0.000 0.000 0.210 78 S C 1.757 176.195 174.600 -0.271 0.000 1.013 78 S CA 0.854 58.864 58.200 -0.316 0.000 0.920 78 S CB -0.633 62.414 63.200 -0.255 0.000 0.882 78 S HN 0.278 nan 8.310 nan 0.000 0.567 79 T N 3.571 117.945 114.554 -0.300 0.000 2.569 79 T HA 0.009 4.360 4.350 0.000 0.000 0.263 79 T C 1.743 176.261 174.700 -0.302 0.000 1.074 79 T CA 1.301 63.218 62.100 -0.306 0.000 1.176 79 T CB -0.648 67.956 68.868 -0.440 0.000 0.863 79 T HN 0.147 nan 8.240 nan 0.000 0.410 80 L N 0.125 121.137 121.223 -0.352 0.000 2.478 80 L HA 0.168 4.508 4.340 0.000 0.000 0.223 80 L C 0.669 177.422 176.870 -0.195 0.000 1.140 80 L CA 0.190 54.881 54.840 -0.249 0.000 0.842 80 L CB -0.448 41.478 42.059 -0.222 0.000 0.953 80 L HN 0.274 nan 8.230 nan 0.000 0.452 81 K N 1.566 121.822 120.400 -0.240 0.000 4.075 81 K HA -0.179 4.141 4.320 0.000 0.000 0.278 81 K C -0.603 175.886 176.600 -0.185 0.000 0.862 81 K CA 0.236 56.389 56.287 -0.224 0.000 0.762 81 K CB -1.213 31.186 32.500 -0.168 0.000 1.660 81 K HN 0.254 nan 8.250 nan 0.000 0.437 82 L N 1.272 122.372 121.223 -0.205 0.000 2.326 82 L HA 0.244 4.584 4.340 0.000 0.000 0.278 82 L C 1.058 177.837 176.870 -0.153 0.000 1.092 82 L CA -0.609 54.146 54.840 -0.141 0.000 0.810 82 L CB 1.003 42.999 42.059 -0.105 0.000 1.153 82 L HN 0.307 nan 8.230 nan 0.000 0.439 83 R N 3.303 123.738 120.500 -0.109 0.000 2.486 83 R HA -0.010 4.330 4.340 0.000 0.000 0.303 83 R C -0.545 175.665 176.300 -0.150 0.000 0.958 83 R CA 0.367 56.385 56.100 -0.137 0.000 1.077 83 R CB 0.048 30.322 30.300 -0.043 0.000 0.921 83 R HN 0.865 nan 8.270 nan 0.000 0.406 84 N N 2.498 121.007 118.700 -0.318 0.000 2.934 84 N HA 0.443 5.184 4.740 0.000 0.000 0.253 84 N C -1.733 173.518 175.510 -0.432 0.000 1.466 84 N CA -0.800 52.161 53.050 -0.147 0.000 0.858 84 N CB 1.029 39.581 38.487 0.107 0.000 1.459 84 N HN 0.289 nan 8.380 nan 0.000 0.532 85 F N -1.124 119.046 119.950 0.366 0.000 2.588 85 F HA 0.454 4.981 4.527 0.000 0.000 0.314 85 F C 0.241 176.163 175.800 0.203 0.000 1.134 85 F CA -0.853 57.319 58.000 0.286 0.000 0.961 85 F CB 2.180 41.261 39.000 0.136 0.000 1.239 85 F HN 0.421 nan 8.300 nan 0.000 0.448 86 R N 1.748 122.324 120.500 0.126 0.000 2.449 86 R HA 0.302 4.642 4.340 0.000 0.000 0.296 86 R C -0.396 175.860 176.300 -0.073 0.000 1.047 86 R CA 0.115 55.929 56.100 -0.478 0.000 1.018 86 R CB 0.602 30.636 30.300 -0.443 0.000 0.962 86 R HN 0.702 nan 8.270 nan 0.000 0.428 87 S N 2.925 118.614 115.700 -0.018 0.000 2.528 87 S HA 0.019 4.490 4.470 0.000 0.000 0.277 87 S C -0.482 174.047 174.600 -0.118 0.000 1.297 87 S CA -0.299 57.930 58.200 0.049 0.000 1.052 87 S CB 1.027 64.318 63.200 0.151 0.000 0.917 87 S HN 0.498 nan 8.310 nan 0.000 0.492 88 D N 1.478 121.831 120.400 -0.078 0.000 2.453 88 D HA 0.340 4.980 4.640 0.000 0.000 0.238 88 D C -0.423 175.875 176.300 -0.004 0.000 1.088 88 D CA -0.535 53.456 54.000 -0.015 0.000 0.854 88 D CB 0.286 41.154 40.800 0.113 0.000 1.076 88 D HN 0.406 nan 8.370 nan 0.000 0.533 89 F N 0.974 121.020 119.950 0.161 0.000 2.727 89 F HA 0.093 4.620 4.527 0.000 0.000 0.302 89 F C 1.697 177.499 175.800 0.004 0.000 1.097 89 F CA -0.371 57.679 58.000 0.085 0.000 1.330 89 F CB 0.456 39.453 39.000 -0.006 0.000 1.084 89 F HN 0.251 nan 8.300 nan 0.000 0.578 90 D N -0.216 120.232 120.400 0.080 0.000 2.271 90 D HA -0.223 4.418 4.640 0.000 0.000 0.207 90 D C 0.931 177.033 176.300 -0.330 0.000 0.983 90 D CA 1.603 55.483 54.000 -0.199 0.000 0.878 90 D CB -0.283 40.271 40.800 -0.410 0.000 0.920 90 D HN 0.377 nan 8.370 nan 0.000 0.479 91 Y N -0.234 120.109 120.300 0.071 0.000 2.607 91 Y HA 0.287 4.838 4.550 0.000 0.000 0.266 91 Y C 1.823 177.749 175.900 0.043 0.000 1.178 91 Y CA -0.338 57.789 58.100 0.046 0.000 1.226 91 Y CB 0.007 38.492 38.460 0.042 0.000 1.144 91 Y HN -0.124 nan 8.280 nan 0.000 0.528 92 L N -0.293 121.000 121.223 0.116 0.000 2.079 92 L HA -0.258 4.082 4.340 0.000 0.000 0.210 92 L C 2.549 179.434 176.870 0.026 0.000 1.081 92 L CA 1.276 56.149 54.840 0.056 0.000 0.752 92 L CB -0.387 41.606 42.059 -0.112 0.000 0.896 92 L HN 0.416 nan 8.230 nan 0.000 0.433 93 A N -0.684 122.137 122.820 0.003 0.000 2.024 93 A HA -0.279 4.041 4.320 0.000 0.000 0.220 93 A C 2.134 179.733 177.584 0.025 0.000 1.164 93 A CA 1.628 53.662 52.037 -0.006 0.000 0.643 93 A CB -0.402 18.585 19.000 -0.021 0.000 0.806 93 A HN 0.481 nan 8.150 nan 0.000 0.451 94 Q N -0.580 119.252 119.800 0.053 0.000 2.369 94 Q HA 0.019 4.359 4.340 0.000 0.000 0.206 94 Q C 0.220 176.191 176.000 -0.049 0.000 0.963 94 Q CA 0.824 56.643 55.803 0.028 0.000 0.894 94 Q CB 0.157 28.936 28.738 0.068 0.000 0.965 94 Q HN 0.592 nan 8.270 nan 0.000 0.475 95 N N -0.232 118.457 118.700 -0.019 0.000 2.553 95 N HA 0.128 4.868 4.740 0.000 0.000 0.298 95 N C -1.300 174.202 175.510 -0.012 0.000 1.596 95 N CA 0.113 53.116 53.050 -0.079 0.000 0.910 95 N CB 1.800 40.360 38.487 0.123 0.000 1.336 95 N HN -0.096 nan 8.380 nan 0.000 0.497 96 V N 2.276 122.175 119.914 -0.025 0.000 2.219 96 V HA 0.227 4.347 4.120 0.000 0.000 0.267 96 V C -0.136 176.084 176.094 0.210 0.000 1.266 96 V CA -0.640 61.744 62.300 0.140 0.000 1.270 96 V CB -1.250 30.652 31.823 0.133 0.000 1.356 96 V HN 0.198 nan 8.190 nan 0.000 0.490 97 Y N 1.457 121.878 120.300 0.202 0.000 2.861 97 Y HA -0.059 4.491 4.550 0.000 0.000 0.344 97 Y C 1.339 177.311 175.900 0.121 0.000 1.272 97 Y CA 0.608 58.769 58.100 0.102 0.000 1.502 97 Y CB 0.374 38.856 38.460 0.037 0.000 1.333 97 Y HN 0.402 nan 8.280 nan 0.000 0.634 98 K N 0.978 121.413 120.400 0.059 0.000 2.318 98 K HA 0.019 4.340 4.320 0.000 0.000 0.243 98 K C 1.213 177.811 176.600 -0.004 0.000 1.047 98 K CA -0.457 55.740 56.287 -0.150 0.000 0.937 98 K CB 0.351 32.573 32.500 -0.462 0.000 1.225 98 K HN 0.756 nan 8.250 nan 0.000 0.506 99 E N 0.538 120.698 120.200 -0.066 0.000 2.152 99 E HA -0.137 4.213 4.350 0.000 0.000 0.192 99 E C -0.380 176.298 176.600 0.130 0.000 0.983 99 E CA 1.001 57.358 56.400 -0.072 0.000 0.818 99 E CB 0.365 30.035 29.700 -0.050 0.000 0.758 99 E HN 0.345 nan 8.360 nan 0.000 0.467 100 D N 0.092 120.527 120.400 0.059 0.000 2.443 100 D HA 0.229 4.869 4.640 0.000 0.000 0.281 100 D C -0.838 175.469 176.300 0.012 0.000 1.210 100 D CA 0.252 54.286 54.000 0.056 0.000 0.875 100 D CB 0.876 41.692 40.800 0.026 0.000 1.125 100 D HN 0.325 nan 8.370 nan 0.000 0.503 101 G N 1.088 109.901 108.800 0.022 0.000 3.177 101 G HA2 0.264 4.224 3.960 0.000 0.000 0.682 101 G HA3 0.264 4.224 3.960 0.000 0.000 0.682 101 G C 0.327 175.207 174.900 -0.032 0.000 1.002 101 G CA -0.231 44.854 45.100 -0.024 0.000 0.910 101 G HN 0.853 nan 8.290 nan 0.000 0.538 102 G N -0.964 107.834 108.800 -0.004 0.000 2.440 102 G HA2 0.421 4.381 3.960 0.000 0.000 0.684 102 G HA3 0.421 4.381 3.960 0.000 0.000 0.684 102 G C -0.818 174.063 174.900 -0.031 0.000 1.309 102 G CA 0.063 45.147 45.100 -0.026 0.000 0.931 102 G HN 1.916 nan 8.290 nan 0.000 0.612 103 V N 1.492 121.345 119.914 -0.103 0.000 2.409 103 V HA 0.517 4.637 4.120 0.000 0.000 0.291 103 V C 0.268 176.317 176.094 -0.075 0.000 1.020 103 V CA -0.790 61.416 62.300 -0.157 0.000 0.848 103 V CB 0.966 32.639 31.823 -0.249 0.000 0.990 103 V HN 0.709 nan 8.190 nan 0.000 0.430 104 Y N 2.386 122.685 120.300 -0.002 0.000 2.812 104 Y HA -0.087 4.463 4.550 0.000 0.000 0.348 104 Y C 1.065 176.997 175.900 0.054 0.000 1.274 104 Y CA 0.638 58.775 58.100 0.062 0.000 1.489 104 Y CB 0.253 38.808 38.460 0.158 0.000 1.348 104 Y HN 0.763 nan 8.280 nan 0.000 0.646 105 D N 1.446 122.008 120.400 0.270 0.000 2.390 105 D HA -0.036 4.604 4.640 0.000 0.000 0.249 105 D C 0.999 177.412 176.300 0.187 0.000 1.144 105 D CA 0.083 54.187 54.000 0.174 0.000 0.880 105 D CB 0.745 41.627 40.800 0.137 0.000 1.182 105 D HN 0.640 nan 8.370 nan 0.000 0.451 106 E N 2.579 122.842 120.200 0.105 0.000 2.058 106 E HA -0.284 4.067 4.350 0.000 0.000 0.194 106 E C 0.759 177.396 176.600 0.062 0.000 0.997 106 E CA 1.749 58.191 56.400 0.071 0.000 0.801 106 E CB 0.058 29.788 29.700 0.049 0.000 0.746 106 E HN 0.684 nan 8.360 nan 0.000 0.450 107 D N -0.709 119.736 120.400 0.076 0.000 2.182 107 D HA -0.197 4.443 4.640 0.000 0.000 0.201 107 D C 1.605 177.958 176.300 0.088 0.000 0.986 107 D CA 1.302 55.341 54.000 0.065 0.000 0.847 107 D CB -0.226 40.614 40.800 0.068 0.000 0.942 107 D HN 0.296 nan 8.370 nan 0.000 0.467 108 Y N 1.226 121.531 120.300 0.008 0.000 2.153 108 Y HA -0.166 4.384 4.550 0.000 0.000 0.289 108 Y C 2.081 177.964 175.900 -0.028 0.000 1.127 108 Y CA 0.941 59.040 58.100 -0.001 0.000 1.131 108 Y CB -0.610 37.863 38.460 0.023 0.000 0.995 108 Y HN -0.160 nan 8.280 nan 0.000 0.505 109 V N 0.812 120.583 119.914 -0.237 0.000 2.287 109 V HA -0.330 3.790 4.120 0.000 0.000 0.248 109 V C 2.406 178.348 176.094 -0.253 0.000 1.053 109 V CA 2.241 64.336 62.300 -0.341 0.000 1.027 109 V CB -0.977 30.774 31.823 -0.120 0.000 0.646 109 V HN 0.375 nan 8.190 nan 0.000 0.447 110 Q N 0.521 120.240 119.800 -0.135 0.000 2.197 110 Q HA -0.237 4.104 4.340 0.000 0.000 0.207 110 Q C 2.088 178.016 176.000 -0.120 0.000 0.984 110 Q CA 1.872 57.613 55.803 -0.103 0.000 0.869 110 Q CB -0.365 28.341 28.738 -0.054 0.000 0.906 110 Q HN 0.633 nan 8.270 nan 0.000 0.426 111 K N -0.833 119.478 120.400 -0.148 0.000 2.062 111 K HA -0.029 4.291 4.320 0.000 0.000 0.205 111 K C 1.987 178.486 176.600 -0.168 0.000 1.051 111 K CA 0.939 57.148 56.287 -0.129 0.000 0.941 111 K CB 0.029 32.474 32.500 -0.091 0.000 0.719 111 K HN 0.094 nan 8.250 nan 0.000 0.440 112 R N 0.933 121.262 120.500 -0.286 0.000 2.092 112 R HA -0.039 4.301 4.340 0.000 0.000 0.231 112 R C 2.257 178.464 176.300 -0.155 0.000 1.119 112 R CA 1.091 57.040 56.100 -0.252 0.000 0.970 112 R CB -0.820 29.245 30.300 -0.391 0.000 0.864 112 R HN 0.241 nan 8.270 nan 0.000 0.440 113 I N 1.274 121.754 120.570 -0.151 0.000 2.163 113 I HA -0.257 3.913 4.170 0.000 0.000 0.243 113 I C 2.327 178.400 176.117 -0.073 0.000 1.085 113 I CA 1.489 62.731 61.300 -0.096 0.000 1.347 113 I CB -0.280 37.661 38.000 -0.098 0.000 1.044 113 I HN 0.196 nan 8.210 nan 0.000 0.408 114 E N 0.503 120.656 120.200 -0.079 0.000 2.077 114 E HA -0.229 4.122 4.350 0.000 0.000 0.193 114 E C 2.304 178.874 176.600 -0.050 0.000 0.989 114 E CA 1.044 57.408 56.400 -0.060 0.000 0.800 114 E CB -0.110 29.556 29.700 -0.057 0.000 0.746 114 E HN 0.422 nan 8.360 nan 0.000 0.452 115 L N 0.484 121.674 121.223 -0.056 0.000 2.017 115 L HA -0.211 4.129 4.340 0.000 0.000 0.208 115 L C 2.398 179.251 176.870 -0.027 0.000 1.073 115 L CA 1.508 56.322 54.840 -0.044 0.000 0.745 115 L CB -0.476 41.552 42.059 -0.052 0.000 0.894 115 L HN 0.155 nan 8.230 nan 0.000 0.432 116 A N -0.127 122.680 122.820 -0.022 0.000 1.892 116 A HA -0.278 4.043 4.320 0.000 0.000 0.218 116 A C 1.829 179.424 177.584 0.018 0.000 1.188 116 A CA 2.139 54.185 52.037 0.016 0.000 0.631 116 A CB -0.691 18.322 19.000 0.023 0.000 0.822 116 A HN 0.518 nan 8.150 nan 0.000 0.447 117 D N -0.004 120.386 120.400 -0.016 0.000 2.144 117 D HA -0.095 4.545 4.640 0.000 0.000 0.200 117 D C 2.416 178.705 176.300 -0.018 0.000 0.978 117 D CA 1.678 55.661 54.000 -0.029 0.000 0.833 117 D CB -0.319 40.452 40.800 -0.049 0.000 0.961 117 D HN 0.578 nan 8.370 nan 0.000 0.470 118 S N 0.193 115.881 115.700 -0.019 0.000 2.395 118 S HA -0.062 4.408 4.470 0.000 0.000 0.225 118 S C 2.355 176.947 174.600 -0.014 0.000 1.027 118 S CA 0.394 58.581 58.200 -0.021 0.000 0.965 118 S CB -0.614 62.568 63.200 -0.029 0.000 0.812 118 S HN 0.069 nan 8.310 nan 0.000 0.482 119 V N 2.567 122.477 119.914 -0.007 0.000 2.324 119 V HA -0.219 3.901 4.120 0.000 0.000 0.250 119 V C 2.775 178.885 176.094 0.027 0.000 1.060 119 V CA 2.226 64.525 62.300 -0.001 0.000 1.042 119 V CB -0.771 31.055 31.823 0.004 0.000 0.650 119 V HN 0.567 nan 8.190 nan 0.000 0.450 120 E N -0.069 120.168 120.200 0.062 0.000 2.072 120 E HA -0.236 4.114 4.350 0.000 0.000 0.190 120 E C 2.230 178.856 176.600 0.043 0.000 0.982 120 E CA 1.216 57.677 56.400 0.102 0.000 0.803 120 E CB 0.041 29.820 29.700 0.133 0.000 0.755 120 E HN 0.697 nan 8.360 nan 0.000 0.453 121 E N 0.241 120.447 120.200 0.009 0.000 2.070 121 E HA -0.208 4.142 4.350 0.000 0.000 0.197 121 E C 2.104 178.698 176.600 -0.009 0.000 1.004 121 E CA 1.719 58.114 56.400 -0.007 0.000 0.805 121 E CB -0.046 29.643 29.700 -0.019 0.000 0.744 121 E HN 0.264 nan 8.360 nan 0.000 0.451 122 M N -0.617 118.975 119.600 -0.012 0.000 2.149 122 M HA -0.128 4.352 4.480 0.000 0.000 0.261 122 M C 2.261 178.550 176.300 -0.019 0.000 1.064 122 M CA 1.554 56.841 55.300 -0.021 0.000 1.102 122 M CB -0.313 32.268 32.600 -0.032 0.000 1.369 122 M HN 0.266 nan 8.290 nan 0.000 0.408 123 G N -0.287 108.508 108.800 -0.007 0.000 2.433 123 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 123 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 123 G C 1.240 176.132 174.900 -0.013 0.000 1.186 123 G CA 0.919 46.014 45.100 -0.010 0.000 0.779 123 G HN 0.429 nan 8.290 nan 0.000 0.543 124 E N 0.085 120.285 120.200 -0.000 0.000 2.065 124 E HA -0.199 4.151 4.350 0.000 0.000 0.201 124 E C 2.466 179.054 176.600 -0.021 0.000 1.016 124 E CA 1.600 57.995 56.400 -0.008 0.000 0.818 124 E CB -0.082 29.616 29.700 -0.004 0.000 0.749 124 E HN 0.376 nan 8.360 nan 0.000 0.453 125 K N -0.024 120.364 120.400 -0.021 0.000 2.009 125 K HA -0.188 4.132 4.320 0.000 0.000 0.210 125 K C 2.154 178.737 176.600 -0.030 0.000 1.049 125 K CA 1.281 57.553 56.287 -0.024 0.000 0.929 125 K CB -0.243 32.243 32.500 -0.022 0.000 0.714 125 K HN 0.060 nan 8.250 nan 0.000 0.440 126 L N 0.527 121.730 121.223 -0.033 0.000 2.046 126 L HA -0.166 4.174 4.340 0.000 0.000 0.208 126 L C 2.182 179.022 176.870 -0.050 0.000 1.077 126 L CA 2.149 56.964 54.840 -0.041 0.000 0.747 126 L CB -1.022 41.012 42.059 -0.042 0.000 0.896 126 L HN 0.151 nan 8.230 nan 0.000 0.432 127 S N -0.344 115.326 115.700 -0.051 0.000 2.370 127 S HA -0.189 4.282 4.470 0.000 0.000 0.226 127 S C 2.130 176.696 174.600 -0.057 0.000 1.033 127 S CA 1.309 59.471 58.200 -0.063 0.000 1.011 127 S CB -0.625 62.537 63.200 -0.065 0.000 0.852 127 S HN 0.699 nan 8.310 nan 0.000 0.457 128 A N 0.525 123.318 122.820 -0.045 0.000 2.067 128 A HA 0.006 4.327 4.320 0.000 0.000 0.219 128 A C 2.367 179.933 177.584 -0.029 0.000 1.158 128 A CA 1.932 53.947 52.037 -0.036 0.000 0.661 128 A CB -1.308 17.674 19.000 -0.030 0.000 0.801 128 A HN 0.791 nan 8.150 nan 0.000 0.452 129 T N -1.616 112.916 114.554 -0.036 0.000 3.085 129 T HA 0.210 4.560 4.350 0.000 0.000 0.263 129 T C 0.648 175.318 174.700 -0.050 0.000 1.127 129 T CA -0.025 62.053 62.100 -0.037 0.000 1.103 129 T CB -0.635 68.205 68.868 -0.047 0.000 0.921 129 T HN 0.262 nan 8.240 nan 0.000 0.510 130 L N 1.677 122.867 121.223 -0.056 0.000 2.439 130 L HA 0.326 4.666 4.340 0.000 0.000 0.269 130 L C 0.676 177.555 176.870 0.014 0.000 1.179 130 L CA -0.791 54.003 54.840 -0.075 0.000 0.828 130 L CB 0.182 42.199 42.059 -0.070 0.000 1.106 130 L HN 0.325 nan 8.230 nan 0.000 0.467 131 H N 0.667 119.722 119.070 -0.024 0.000 2.897 131 H HA -0.010 4.546 4.556 0.000 0.000 0.347 131 H C 0.794 176.112 175.328 -0.017 0.000 1.068 131 H CA -0.028 56.010 56.048 -0.017 0.000 1.426 131 H CB 1.141 30.896 29.762 -0.012 0.000 1.410 131 H HN 0.832 nan 8.280 nan 0.000 0.597 132 A N 2.185 125.072 122.820 0.112 0.000 2.119 132 A HA -0.135 4.185 4.320 0.000 0.000 0.217 132 A C 2.139 179.760 177.584 0.061 0.000 1.153 132 A CA 1.175 53.244 52.037 0.055 0.000 0.692 132 A CB -0.372 18.649 19.000 0.034 0.000 0.799 132 A HN 0.721 nan 8.150 nan 0.000 0.458 133 S N -1.436 114.306 115.700 0.069 0.000 2.607 133 S HA 0.325 4.795 4.470 0.000 0.000 0.224 133 S C 1.456 176.111 174.600 0.092 0.000 0.969 133 S CA 0.945 59.189 58.200 0.072 0.000 0.927 133 S CB -0.676 62.548 63.200 0.039 0.000 0.772 133 S HN 1.810 nan 8.310 nan 0.000 0.533 134 G N 2.175 111.023 108.800 0.080 0.000 2.166 134 G HA2 -0.424 3.536 3.960 0.000 0.000 0.260 134 G HA3 -0.424 3.536 3.960 0.000 0.000 0.260 134 G C 0.829 175.768 174.900 0.064 0.000 0.986 134 G CA 0.612 45.751 45.100 0.064 0.000 0.683 134 G HN 0.616 nan 8.290 nan 0.000 0.527 135 R N 0.928 121.477 120.500 0.082 0.000 2.119 135 R HA -0.164 4.176 4.340 0.000 0.000 0.246 135 R C 1.364 177.689 176.300 0.041 0.000 1.146 135 R CA 2.368 58.514 56.100 0.076 0.000 0.962 135 R CB -0.247 30.132 30.300 0.132 0.000 0.863 135 R HN 0.571 nan 8.270 nan 0.000 0.442 136 D N -1.046 119.362 120.400 0.015 0.000 2.788 136 D HA 0.118 4.759 4.640 0.000 0.000 0.289 136 D C -0.698 175.575 176.300 -0.045 0.000 1.340 136 D CA -0.591 53.389 54.000 -0.034 0.000 0.831 136 D CB 0.394 41.136 40.800 -0.097 0.000 1.103 136 D HN 0.057 nan 8.370 nan 0.000 0.476 137 D N 1.089 121.471 120.400 -0.029 0.000 2.377 137 D HA 0.542 5.182 4.640 0.000 0.000 0.245 137 D C 0.024 176.294 176.300 -0.049 0.000 1.196 137 D CA -0.198 53.772 54.000 -0.050 0.000 0.962 137 D CB 0.724 41.495 40.800 -0.047 0.000 1.127 137 D HN 0.302 nan 8.370 nan 0.000 0.471 138 M N -1.276 118.283 119.600 -0.067 0.000 2.732 138 M HA 0.326 4.806 4.480 0.000 0.000 0.272 138 M C -0.633 175.615 176.300 -0.087 0.000 1.203 138 M CA -1.090 54.171 55.300 -0.065 0.000 0.841 138 M CB 1.438 34.001 32.600 -0.062 0.000 1.685 138 M HN 0.216 nan 8.290 nan 0.000 0.492 139 S N 0.535 116.184 115.700 -0.084 0.000 2.572 139 S HA 0.309 4.779 4.470 0.000 0.000 0.279 139 S C 0.913 175.428 174.600 -0.141 0.000 1.341 139 S CA -0.515 57.618 58.200 -0.111 0.000 1.043 139 S CB 0.263 63.405 63.200 -0.096 0.000 0.887 139 S HN 0.741 nan 8.310 nan 0.000 0.516 140 I N 1.755 122.209 120.570 -0.193 0.000 2.145 140 I HA -0.239 3.931 4.170 0.000 0.000 0.244 140 I C 2.442 178.415 176.117 -0.239 0.000 1.075 140 I CA 1.577 62.722 61.300 -0.259 0.000 1.332 140 I CB -0.604 37.135 38.000 -0.435 0.000 1.033 140 I HN 0.709 nan 8.210 nan 0.000 0.410 141 L N 1.281 122.379 121.223 -0.208 0.000 1.990 141 L HA -0.226 4.114 4.340 0.000 0.000 0.213 141 L C 2.613 179.422 176.870 -0.102 0.000 1.072 141 L CA 2.312 57.062 54.840 -0.150 0.000 0.755 141 L CB -0.943 41.049 42.059 -0.112 0.000 0.889 141 L HN 0.217 nan 8.230 nan 0.000 0.432 142 A N -0.298 122.470 122.820 -0.087 0.000 1.892 142 A HA -0.310 4.011 4.320 0.000 0.000 0.218 142 A C 2.401 179.950 177.584 -0.058 0.000 1.188 142 A CA 2.569 54.569 52.037 -0.061 0.000 0.631 142 A CB -0.906 18.060 19.000 -0.057 0.000 0.822 142 A HN 0.653 nan 8.150 nan 0.000 0.447 143 M N -0.213 119.341 119.600 -0.076 0.000 2.073 143 M HA -0.259 4.222 4.480 0.000 0.000 0.258 143 M C 2.177 178.439 176.300 -0.063 0.000 1.070 143 M CA 2.423 57.682 55.300 -0.069 0.000 1.103 143 M CB -1.183 31.368 32.600 -0.083 0.000 1.321 143 M HN 0.622 nan 8.290 nan 0.000 0.405 144 Q N -0.292 119.458 119.800 -0.083 0.000 2.029 144 Q HA -0.237 4.103 4.340 0.000 0.000 0.209 144 Q C 2.174 178.148 176.000 -0.042 0.000 0.999 144 Q CA 2.191 57.954 55.803 -0.066 0.000 0.857 144 Q CB -0.394 28.292 28.738 -0.087 0.000 0.926 144 Q HN 0.573 nan 8.270 nan 0.000 0.415 145 R N 0.195 120.673 120.500 -0.035 0.000 2.112 145 R HA -0.216 4.124 4.340 0.000 0.000 0.242 145 R C 2.406 178.717 176.300 0.019 0.000 1.137 145 R CA 1.555 57.650 56.100 -0.008 0.000 0.944 145 R CB -0.799 29.495 30.300 -0.010 0.000 0.857 145 R HN 0.217 nan 8.270 nan 0.000 0.435 146 L N 1.857 123.087 121.223 0.012 0.000 2.021 146 L HA -0.250 4.090 4.340 0.000 0.000 0.215 146 L C 1.618 178.503 176.870 0.025 0.000 1.074 146 L CA 1.902 56.767 54.840 0.041 0.000 0.760 146 L CB -0.713 41.350 42.059 0.007 0.000 0.889 146 L HN 0.194 nan 8.230 nan 0.000 0.433 147 N N -0.286 118.383 118.700 -0.053 0.000 2.207 147 N HA -0.128 4.612 4.740 0.000 0.000 0.182 147 N C 1.613 176.995 175.510 -0.214 0.000 1.020 147 N CA 1.452 54.418 53.050 -0.139 0.000 0.858 147 N CB -0.153 38.280 38.487 -0.091 0.000 0.991 147 N HN 0.548 nan 8.380 nan 0.000 0.427 148 E N 0.057 120.192 120.200 -0.108 0.000 2.511 148 E HA -0.007 4.343 4.350 0.000 0.000 0.196 148 E C -0.645 175.944 176.600 -0.018 0.000 1.066 148 E CA -0.003 56.348 56.400 -0.082 0.000 0.871 148 E CB -0.309 29.374 29.700 -0.028 0.000 0.863 148 E HN 0.448 nan 8.360 nan 0.000 0.520 149 H N 0.522 119.584 119.070 -0.012 0.000 2.592 149 H HA -0.166 4.390 4.556 0.000 0.000 0.323 149 H C -0.453 174.869 175.328 -0.010 0.000 1.117 149 H CA -0.120 55.921 56.048 -0.012 0.000 1.120 149 H CB -0.823 28.933 29.762 -0.009 0.000 1.561 149 H HN 0.131 nan 8.280 nan 0.000 0.409 150 Q N 0.233 120.093 119.800 0.099 0.000 2.416 150 Q HA 0.187 4.527 4.340 0.000 0.000 0.281 150 Q C -2.055 173.962 176.000 0.028 0.000 1.067 150 Q CA -1.792 54.041 55.803 0.050 0.000 0.809 150 Q CB 2.074 30.831 28.738 0.033 0.000 1.418 150 Q HN 0.123 nan 8.270 nan 0.000 0.411 151 P HA -0.041 nan 4.420 nan 0.000 0.247 151 P C -0.718 176.583 177.300 0.002 0.000 1.225 151 P CA 0.646 63.749 63.100 0.006 0.000 0.768 151 P CB 0.110 31.813 31.700 0.004 0.000 1.020 152 N N -2.789 115.913 118.700 0.003 0.000 2.745 152 N HA 0.436 5.176 4.740 0.000 0.000 0.256 152 N C -0.133 175.374 175.510 -0.005 0.000 1.268 152 N CA -0.907 52.141 53.050 -0.002 0.000 0.887 152 N CB 0.403 38.892 38.487 0.003 0.000 1.575 152 N HN -0.176 nan 8.380 nan 0.000 0.496 153 G N -0.362 108.431 108.800 -0.013 0.000 2.516 153 G HA2 0.449 4.409 3.960 0.000 0.000 0.276 153 G HA3 0.449 4.409 3.960 0.000 0.000 0.276 153 G C -2.322 172.581 174.900 0.005 0.000 1.390 153 G CA -1.453 43.640 45.100 -0.013 0.000 1.050 153 G HN 0.543 nan 8.290 nan 0.000 0.519 154 P HA 0.183 nan 4.420 nan 0.000 0.260 154 P C 0.037 177.354 177.300 0.028 0.000 1.172 154 P CA 0.942 64.059 63.100 0.027 0.000 0.760 154 P CB 1.126 32.856 31.700 0.050 0.000 0.773 155 A N 2.371 125.205 122.820 0.023 0.000 2.377 155 A HA 0.197 4.518 4.320 0.000 0.000 0.209 155 A C 0.805 178.403 177.584 0.023 0.000 1.359 155 A CA 0.427 52.477 52.037 0.022 0.000 1.026 155 A CB -0.255 18.756 19.000 0.018 0.000 1.224 155 A HN 0.498 nan 8.150 nan 0.000 0.528 156 T N -2.929 111.637 114.554 0.021 0.000 2.918 156 T HA 0.470 4.820 4.350 0.000 0.000 0.283 156 T C -1.760 172.949 174.700 0.015 0.000 1.001 156 T CA -1.438 60.676 62.100 0.023 0.000 1.041 156 T CB 1.431 70.318 68.868 0.031 0.000 1.028 156 T HN -0.125 nan 8.240 nan 0.000 0.511 157 P HA -0.180 nan 4.420 nan 0.000 0.216 157 P C 1.786 179.070 177.300 -0.026 0.000 1.167 157 P CA 0.998 64.106 63.100 0.014 0.000 0.914 157 P CB -0.272 31.468 31.700 0.066 0.000 0.793 158 V N -0.078 119.770 119.914 -0.111 0.000 2.407 158 V HA -0.223 3.897 4.120 0.000 0.000 0.248 158 V C 1.953 177.974 176.094 -0.121 0.000 1.055 158 V CA 2.133 64.297 62.300 -0.228 0.000 1.049 158 V CB -1.253 30.280 31.823 -0.482 0.000 0.662 158 V HN 0.110 nan 8.190 nan 0.000 0.455 159 D N -0.401 119.955 120.400 -0.073 0.000 2.183 159 D HA -0.060 4.581 4.640 0.000 0.000 0.203 159 D C 2.207 178.524 176.300 0.029 0.000 0.969 159 D CA 1.193 55.174 54.000 -0.032 0.000 0.842 159 D CB -0.071 40.718 40.800 -0.018 0.000 0.957 159 D HN 0.387 nan 8.370 nan 0.000 0.484 160 M N -0.132 119.492 119.600 0.040 0.000 2.123 160 M HA -0.085 4.395 4.480 0.000 0.000 0.263 160 M C 2.404 178.786 176.300 0.137 0.000 1.069 160 M CA 0.639 55.992 55.300 0.089 0.000 1.133 160 M CB -0.260 32.382 32.600 0.070 0.000 1.356 160 M HN -0.146 nan 8.290 nan 0.000 0.415 161 V N 0.527 120.494 119.914 0.088 0.000 2.392 161 V HA -0.211 3.910 4.120 0.000 0.000 0.249 161 V C 2.220 178.419 176.094 0.175 0.000 1.059 161 V CA 1.731 64.102 62.300 0.117 0.000 1.051 161 V CB -0.146 31.716 31.823 0.065 0.000 0.658 161 V HN 0.290 nan 8.190 nan 0.000 0.455 162 V N 0.219 120.199 119.914 0.110 0.000 2.295 162 V HA -0.255 3.865 4.120 0.000 0.000 0.246 162 V C 2.377 178.594 176.094 0.205 0.000 1.049 162 V CA 2.480 64.858 62.300 0.129 0.000 1.024 162 V CB -0.874 30.966 31.823 0.029 0.000 0.648 162 V HN 0.659 nan 8.190 nan 0.000 0.447 163 D N -0.990 119.531 120.400 0.202 0.000 2.092 163 D HA -0.242 4.399 4.640 0.000 0.000 0.193 163 D C 2.025 178.514 176.300 0.316 0.000 0.994 163 D CA 1.634 55.802 54.000 0.280 0.000 0.828 163 D CB -0.282 40.654 40.800 0.227 0.000 0.963 163 D HN 0.503 nan 8.370 nan 0.000 0.450 164 Y N -0.388 120.009 120.300 0.162 0.000 2.128 164 Y HA -0.328 4.222 4.550 0.000 0.000 0.284 164 Y C 2.272 178.242 175.900 0.116 0.000 1.154 164 Y CA 2.233 60.417 58.100 0.139 0.000 1.149 164 Y CB -0.704 37.814 38.460 0.098 0.000 0.976 164 Y HN 0.143 nan 8.280 nan 0.000 0.505 165 Y N 0.895 121.311 120.300 0.192 0.000 2.165 165 Y HA -0.257 4.293 4.550 0.000 0.000 0.286 165 Y C 2.113 177.964 175.900 -0.082 0.000 1.155 165 Y CA 2.168 60.296 58.100 0.048 0.000 1.164 165 Y CB -0.432 38.008 38.460 -0.034 0.000 0.978 165 Y HN 0.031 nan 8.280 nan 0.000 0.513 166 K N -1.428 118.728 120.400 -0.405 0.000 2.228 166 K HA -0.017 4.303 4.320 0.000 0.000 0.202 166 K C 1.053 177.056 176.600 -0.995 0.000 1.051 166 K CA 1.480 57.270 56.287 -0.828 0.000 0.960 166 K CB -0.040 32.050 32.500 -0.683 0.000 0.743 166 K HN 0.352 nan 8.250 nan 0.000 0.458 167 F N -0.626 119.187 119.950 -0.228 0.000 2.268 167 F HA 0.084 4.611 4.527 0.000 0.000 0.262 167 F C 1.425 177.129 175.800 -0.161 0.000 0.910 167 F CA -0.303 57.628 58.000 -0.114 0.000 1.142 167 F CB 0.035 39.063 39.000 0.046 0.000 1.229 167 F HN -0.184 nan 8.300 nan 0.000 0.781 168 D N -0.172 120.188 120.400 -0.068 0.000 2.144 168 D HA -0.227 4.413 4.640 0.000 0.000 0.199 168 D C 1.603 177.762 176.300 -0.235 0.000 0.984 168 D CA 1.232 55.047 54.000 -0.310 0.000 0.834 168 D CB -0.356 39.811 40.800 -1.055 0.000 0.955 168 D HN 0.228 nan 8.370 nan 0.000 0.465 169 Y N 0.704 120.758 120.300 -0.409 0.000 2.616 169 Y HA -0.008 4.542 4.550 0.000 0.000 0.296 169 Y C 1.772 177.591 175.900 -0.134 0.000 1.154 169 Y CA 0.778 58.770 58.100 -0.180 0.000 1.325 169 Y CB 0.155 38.499 38.460 -0.193 0.000 1.007 169 Y HN -0.127 nan 8.280 nan 0.000 0.542 170 E N -1.220 118.751 120.200 -0.381 0.000 2.228 170 E HA 0.102 4.453 4.350 0.000 0.000 0.197 170 E C 1.071 177.397 176.600 -0.456 0.000 0.909 170 E CA 0.916 56.917 56.400 -0.665 0.000 0.911 170 E CB -0.488 28.545 29.700 -1.112 0.000 0.887 170 E HN 0.315 nan 8.360 nan 0.000 0.481 171 F N -0.057 119.961 119.950 0.114 0.000 2.695 171 F HA 0.461 4.989 4.527 0.000 0.000 0.303 171 F C 1.148 177.123 175.800 0.291 0.000 1.091 171 F CA 0.114 58.245 58.000 0.219 0.000 1.300 171 F CB 0.602 39.691 39.000 0.148 0.000 1.071 171 F HN 0.094 nan 8.300 nan 0.000 0.578 172 A N 0.595 123.634 122.820 0.365 0.000 2.816 172 A HA -0.264 4.056 4.320 0.000 0.000 0.270 172 A C 0.205 177.837 177.584 0.080 0.000 1.413 172 A CA 1.344 53.508 52.037 0.212 0.000 0.866 172 A CB -2.209 16.866 19.000 0.125 0.000 1.032 172 A HN 0.539 nan 8.150 nan 0.000 0.642 173 E N -0.810 119.454 120.200 0.108 0.000 2.383 173 E HA 0.499 4.849 4.350 0.000 0.000 0.275 173 E C -2.913 173.714 176.600 0.046 0.000 0.918 173 E CA -2.357 54.072 56.400 0.047 0.000 0.764 173 E CB 2.352 32.072 29.700 0.033 0.000 1.252 173 E HN 0.209 nan 8.360 nan 0.000 0.449 174 P HA 0.040 nan 4.420 nan 0.000 0.269 174 P C -2.292 174.995 177.300 -0.023 0.000 1.209 174 P CA -1.135 61.973 63.100 0.013 0.000 0.776 174 P CB 0.309 32.020 31.700 0.018 0.000 0.876 175 P HA -0.182 nan 4.420 nan 0.000 0.218 175 P C 1.438 178.635 177.300 -0.172 0.000 1.146 175 P CA 1.809 64.770 63.100 -0.231 0.000 0.820 175 P CB -0.212 31.225 31.700 -0.439 0.000 0.778 176 R N 0.018 120.453 120.500 -0.108 0.000 2.276 176 R HA -0.015 4.326 4.340 0.000 0.000 0.203 176 R C 1.413 177.669 176.300 -0.074 0.000 1.017 176 R CA 1.282 57.330 56.100 -0.087 0.000 1.010 176 R CB -0.802 29.465 30.300 -0.055 0.000 0.900 176 R HN 0.234 nan 8.270 nan 0.000 0.469 177 V N -3.044 116.827 119.914 -0.071 0.000 3.661 177 V HA 0.247 4.367 4.120 0.000 0.000 0.271 177 V C 0.221 176.263 176.094 -0.087 0.000 1.315 177 V CA -0.112 62.148 62.300 -0.067 0.000 1.072 177 V CB 0.295 32.086 31.823 -0.053 0.000 0.830 177 V HN 0.119 nan 8.190 nan 0.000 0.443 178 T N 2.542 117.029 114.554 -0.112 0.000 2.794 178 T HA 0.333 4.683 4.350 0.000 0.000 0.296 178 T C 0.330 174.926 174.700 -0.173 0.000 0.949 178 T CA 0.673 62.678 62.100 -0.158 0.000 1.101 178 T CB 1.101 69.841 68.868 -0.214 0.000 0.905 178 T HN 0.547 nan 8.240 nan 0.000 0.516 179 S N 3.041 118.651 115.700 -0.152 0.000 2.544 179 S HA -0.001 4.469 4.470 0.000 0.000 0.290 179 S C 1.291 175.734 174.600 -0.261 0.000 1.276 179 S CA -0.767 57.323 58.200 -0.183 0.000 1.075 179 S CB -0.065 63.005 63.200 -0.216 0.000 0.849 179 S HN 0.635 nan 8.310 nan 0.000 0.494 180 L N 5.373 126.472 121.223 -0.208 0.000 1.976 180 L HA -0.059 4.281 4.340 0.000 0.000 0.209 180 L C 2.651 179.394 176.870 -0.212 0.000 1.071 180 L CA 2.225 56.953 54.840 -0.186 0.000 0.746 180 L CB -1.063 40.913 42.059 -0.138 0.000 0.890 180 L HN 0.960 nan 8.230 nan 0.000 0.432 181 Q N -0.537 119.123 119.800 -0.234 0.000 2.112 181 Q HA -0.220 4.120 4.340 0.000 0.000 0.206 181 Q C 1.053 176.843 176.000 -0.351 0.000 0.987 181 Q CA 1.946 57.598 55.803 -0.251 0.000 0.858 181 Q CB -0.049 28.540 28.738 -0.248 0.000 0.905 181 Q HN 0.635 nan 8.270 nan 0.000 0.420 182 N N -1.026 117.350 118.700 -0.541 0.000 2.251 182 N HA 0.016 4.756 4.740 0.000 0.000 0.217 182 N C 0.377 175.617 175.510 -0.450 0.000 1.124 182 N CA 0.927 53.541 53.050 -0.726 0.000 0.843 182 N CB 1.151 38.651 38.487 -1.645 0.000 1.024 182 N HN 0.356 nan 8.380 nan 0.000 0.501 183 T N -4.312 110.054 114.554 -0.314 0.000 3.100 183 T HA 0.132 4.482 4.350 0.000 0.000 0.255 183 T C 0.256 174.965 174.700 0.015 0.000 0.893 183 T CA -0.013 61.958 62.100 -0.214 0.000 0.882 183 T CB 0.333 68.826 68.868 -0.625 0.000 1.266 183 T HN -0.174 nan 8.240 nan 0.000 0.528 184 V N 4.300 124.201 119.914 -0.021 0.000 2.349 184 V HA 0.557 4.677 4.120 0.000 0.000 0.284 184 V C -2.613 173.477 176.094 -0.006 0.000 1.014 184 V CA -2.192 60.138 62.300 0.050 0.000 0.826 184 V CB 1.300 33.169 31.823 0.077 0.000 1.009 184 V HN 0.232 nan 8.190 nan 0.000 0.431 185 P HA 0.364 nan 4.420 nan 0.000 0.279 185 P C -0.929 176.411 177.300 0.066 0.000 1.276 185 P CA -0.622 62.508 63.100 0.050 0.000 0.801 185 P CB 1.557 33.273 31.700 0.025 0.000 1.127 186 L N 0.410 121.722 121.223 0.149 0.000 2.272 186 L HA 0.446 4.786 4.340 0.000 0.000 0.289 186 L C 1.561 178.466 176.870 0.059 0.000 1.032 186 L CA -0.481 54.457 54.840 0.164 0.000 0.810 186 L CB 0.368 42.643 42.059 0.360 0.000 1.205 186 L HN 0.539 nan 8.230 nan 0.000 0.422 187 A N 3.270 126.080 122.820 -0.017 0.000 1.940 187 A HA -0.246 4.074 4.320 0.000 0.000 0.221 187 A C 1.972 179.527 177.584 -0.048 0.000 1.190 187 A CA 2.678 54.658 52.037 -0.096 0.000 0.647 187 A CB -0.918 17.937 19.000 -0.241 0.000 0.821 187 A HN 0.849 nan 8.150 nan 0.000 0.457 188 T N -0.962 113.575 114.554 -0.029 0.000 2.652 188 T HA -0.149 4.201 4.350 0.000 0.000 0.267 188 T C 1.515 175.972 174.700 -0.405 0.000 1.039 188 T CA 1.890 63.834 62.100 -0.260 0.000 1.153 188 T CB -0.422 68.029 68.868 -0.694 0.000 0.863 188 T HN 0.528 nan 8.240 nan 0.000 0.428 189 F N 0.898 120.806 119.950 -0.070 0.000 2.335 189 F HA 0.054 4.581 4.527 0.000 0.000 0.296 189 F C 2.865 178.618 175.800 -0.079 0.000 1.091 189 F CA 0.218 58.175 58.000 -0.072 0.000 1.399 189 F CB -0.263 38.692 39.000 -0.074 0.000 1.067 189 F HN 0.042 nan 8.300 nan 0.000 0.520 190 S N 0.180 115.922 115.700 0.070 0.000 2.359 190 S HA -0.191 4.279 4.470 0.000 0.000 0.224 190 S C 1.476 176.020 174.600 -0.094 0.000 1.035 190 S CA 1.733 59.925 58.200 -0.015 0.000 1.018 190 S CB -0.335 62.840 63.200 -0.042 0.000 0.876 190 S HN 0.337 nan 8.310 nan 0.000 0.448 191 D N 0.171 120.427 120.400 -0.239 0.000 2.162 191 D HA 0.072 4.712 4.640 0.000 0.000 0.203 191 D C 1.256 177.386 176.300 -0.282 0.000 0.967 191 D CA 0.925 54.683 54.000 -0.403 0.000 0.840 191 D CB -0.184 40.141 40.800 -0.791 0.000 0.972 191 D HN 0.470 nan 8.370 nan 0.000 0.482 192 F N -0.157 119.745 119.950 -0.080 0.000 2.706 192 F HA 0.379 4.906 4.527 0.000 0.000 0.308 192 F C 1.172 176.919 175.800 -0.089 0.000 1.095 192 F CA -0.042 57.874 58.000 -0.140 0.000 1.244 192 F CB 1.278 40.094 39.000 -0.307 0.000 1.063 192 F HN -0.055 nan 8.300 nan 0.000 0.582 193 G N 0.819 109.694 108.800 0.125 0.000 2.539 193 G HA2 -0.162 3.798 3.960 0.000 0.000 0.686 193 G HA3 -0.162 3.798 3.960 0.000 0.000 0.686 193 G C -0.792 174.240 174.900 0.219 0.000 1.258 193 G CA -0.759 44.412 45.100 0.118 0.000 0.846 193 G HN 0.002 nan 8.290 nan 0.000 0.647 194 D N 0.001 120.488 120.400 0.145 0.000 2.349 194 D HA 0.117 4.758 4.640 0.000 0.000 0.215 194 D C 0.622 176.959 176.300 0.062 0.000 1.016 194 D CA 0.443 54.495 54.000 0.087 0.000 0.870 194 D CB 0.192 40.954 40.800 -0.064 0.000 0.917 194 D HN 0.429 nan 8.370 nan 0.000 0.524 195 D N 0.515 120.971 120.400 0.093 0.000 2.341 195 D HA 0.158 4.798 4.640 0.000 0.000 0.245 195 D C 0.439 176.809 176.300 0.117 0.000 1.106 195 D CA -0.081 53.949 54.000 0.049 0.000 0.905 195 D CB 2.106 42.930 40.800 0.040 0.000 1.202 195 D HN -0.100 nan 8.370 nan 0.000 0.426 196 V N -0.198 119.755 119.914 0.066 0.000 2.769 196 V HA 0.608 4.728 4.120 0.000 0.000 0.312 196 V C -1.394 174.781 176.094 0.136 0.000 1.061 196 V CA -0.787 61.642 62.300 0.214 0.000 0.931 196 V CB 1.552 33.522 31.823 0.245 0.000 1.010 196 V HN 0.342 nan 8.190 nan 0.000 0.433 197 Y N 2.844 123.364 120.300 0.366 0.000 2.350 197 Y HA 0.596 5.146 4.550 0.000 0.000 0.338 197 Y C -0.491 175.611 175.900 0.336 0.000 0.961 197 Y CA -0.846 57.458 58.100 0.340 0.000 1.100 197 Y CB 2.093 40.645 38.460 0.154 0.000 1.179 197 Y HN 0.798 nan 8.280 nan 0.000 0.454 198 F N 4.220 124.285 119.950 0.190 0.000 2.421 198 F HA 0.470 4.998 4.527 0.000 0.000 0.358 198 F C -0.361 175.414 175.800 -0.042 0.000 1.115 198 F CA -0.777 57.087 58.000 -0.227 0.000 1.160 198 F CB 0.404 39.322 39.000 -0.136 0.000 1.123 198 F HN 0.184 nan 8.300 nan 0.000 0.508 199 V N 6.537 126.166 119.914 -0.474 0.000 2.439 199 V HA 0.397 4.517 4.120 0.000 0.000 0.271 199 V C 0.397 176.340 176.094 -0.251 0.000 1.040 199 V CA -0.154 61.948 62.300 -0.331 0.000 1.002 199 V CB 0.374 31.844 31.823 -0.587 0.000 1.000 199 V HN 0.887 nan 8.190 nan 0.000 0.477 200 A N 4.278 127.150 122.820 0.086 0.000 2.978 200 A HA 0.532 4.852 4.320 0.000 0.000 0.341 200 A C -0.388 177.300 177.584 0.172 0.000 1.105 200 A CA -0.422 51.744 52.037 0.214 0.000 0.819 200 A CB 0.108 19.296 19.000 0.313 0.000 1.080 200 A HN 0.738 nan 8.150 nan 0.000 0.476 201 D N 0.898 121.361 120.400 0.104 0.000 2.757 201 D HA 0.179 4.819 4.640 0.000 0.000 0.249 201 D C 0.342 176.683 176.300 0.068 0.000 1.168 201 D CA -0.339 53.703 54.000 0.071 0.000 0.870 201 D CB 1.525 42.335 40.800 0.016 0.000 1.411 201 D HN 0.266 nan 8.370 nan 0.000 0.525 202 Q N 2.344 122.182 119.800 0.063 0.000 2.297 202 Q HA -0.116 4.224 4.340 0.000 0.000 0.208 202 Q C 1.610 177.613 176.000 0.005 0.000 0.981 202 Q CA 1.016 56.839 55.803 0.033 0.000 0.876 202 Q CB 0.088 28.841 28.738 0.026 0.000 0.921 202 Q HN 0.525 nan 8.270 nan 0.000 0.446 203 R N -0.156 120.348 120.500 0.006 0.000 2.127 203 R HA -0.019 4.321 4.340 0.000 0.000 0.238 203 R C 0.849 177.160 176.300 0.019 0.000 1.134 203 R CA 0.840 56.937 56.100 -0.005 0.000 0.975 203 R CB -0.175 30.124 30.300 -0.002 0.000 0.865 203 R HN 0.294 nan 8.270 nan 0.000 0.447 204 G N -1.016 107.814 108.800 0.051 0.000 2.712 204 G HA2 -0.285 3.675 3.960 0.000 0.000 0.686 204 G HA3 -0.285 3.675 3.960 0.000 0.000 0.686 204 G C -0.131 174.881 174.900 0.187 0.000 1.181 204 G CA -0.282 44.877 45.100 0.099 0.000 0.762 204 G HN 0.329 nan 8.290 nan 0.000 0.641 205 Y N 0.655 120.981 120.300 0.044 0.000 2.315 205 Y HA -0.210 4.341 4.550 0.000 0.000 0.288 205 Y C 2.784 178.752 175.900 0.114 0.000 1.154 205 Y CA 1.935 60.069 58.100 0.056 0.000 1.229 205 Y CB 0.184 38.669 38.460 0.042 0.000 0.980 205 Y HN 0.837 nan 8.280 nan 0.000 0.540 206 E N 0.201 120.552 120.200 0.251 0.000 2.331 206 E HA -0.243 4.108 4.350 0.000 0.000 0.199 206 E C 2.083 178.907 176.600 0.372 0.000 1.008 206 E CA 0.756 57.320 56.400 0.273 0.000 0.843 206 E CB -0.426 29.511 29.700 0.395 0.000 0.761 206 E HN 0.486 nan 8.360 nan 0.000 0.507 207 A N 1.840 124.831 122.820 0.286 0.000 1.927 207 A HA -0.226 4.095 4.320 0.000 0.000 0.220 207 A C 2.539 180.281 177.584 0.263 0.000 1.185 207 A CA 2.092 54.278 52.037 0.249 0.000 0.639 207 A CB -0.992 18.090 19.000 0.137 0.000 0.820 207 A HN 0.229 nan 8.150 nan 0.000 0.451 208 V N -0.589 119.439 119.914 0.191 0.000 2.343 208 V HA -0.238 3.882 4.120 0.000 0.000 0.247 208 V C 2.504 178.710 176.094 0.185 0.000 1.051 208 V CA 1.984 64.372 62.300 0.147 0.000 1.036 208 V CB -1.022 30.836 31.823 0.058 0.000 0.654 208 V HN 0.377 nan 8.190 nan 0.000 0.451 209 V N -1.192 118.794 119.914 0.119 0.000 2.427 209 V HA -0.257 3.863 4.120 0.000 0.000 0.248 209 V C 2.219 178.321 176.094 0.013 0.000 1.051 209 V CA 1.932 64.258 62.300 0.043 0.000 1.048 209 V CB -0.830 30.960 31.823 -0.055 0.000 0.666 209 V HN 0.498 nan 8.190 nan 0.000 0.456 210 Y N -1.043 119.324 120.300 0.112 0.000 2.181 210 Y HA -0.299 4.251 4.550 0.000 0.000 0.288 210 Y C 2.471 178.425 175.900 0.091 0.000 1.146 210 Y CA 2.459 60.611 58.100 0.088 0.000 1.164 210 Y CB -0.644 37.868 38.460 0.087 0.000 0.982 210 Y HN 0.304 nan 8.280 nan 0.000 0.515 211 Y N 0.292 120.698 120.300 0.177 0.000 2.097 211 Y HA -0.299 4.251 4.550 0.000 0.000 0.282 211 Y C 2.049 178.007 175.900 0.096 0.000 1.152 211 Y CA 1.704 59.868 58.100 0.106 0.000 1.136 211 Y CB -0.702 37.800 38.460 0.071 0.000 0.975 211 Y HN 0.039 nan 8.280 nan 0.000 0.498 212 L N -0.222 121.046 121.223 0.074 0.000 2.027 212 L HA -0.186 4.154 4.340 0.000 0.000 0.206 212 L C 2.827 179.753 176.870 0.093 0.000 1.074 212 L CA 1.197 56.070 54.840 0.055 0.000 0.745 212 L CB -1.044 41.149 42.059 0.223 0.000 0.898 212 L HN 0.335 nan 8.230 nan 0.000 0.433 213 A N 0.208 123.055 122.820 0.044 0.000 1.997 213 A HA -0.218 4.102 4.320 0.000 0.000 0.221 213 A C 2.262 179.661 177.584 -0.308 0.000 1.172 213 A CA 1.987 53.934 52.037 -0.150 0.000 0.645 213 A CB -1.247 17.655 19.000 -0.165 0.000 0.813 213 A HN 0.489 nan 8.150 nan 0.000 0.454 214 G N -1.933 106.762 108.800 -0.175 0.000 2.813 214 G HA2 0.057 4.017 3.960 0.000 0.000 0.209 214 G HA3 0.057 4.017 3.960 0.000 0.000 0.209 214 G C 1.352 176.142 174.900 -0.184 0.000 1.150 214 G CA 0.470 45.467 45.100 -0.172 0.000 0.785 214 G HN 0.473 nan 8.290 nan 0.000 0.535 215 Q N -0.161 119.545 119.800 -0.156 0.000 2.187 215 Q HA -0.030 4.310 4.340 0.000 0.000 0.199 215 Q C 1.839 177.882 176.000 0.072 0.000 0.957 215 Q CA 1.109 56.879 55.803 -0.055 0.000 0.857 215 Q CB -0.184 28.546 28.738 -0.015 0.000 0.929 215 Q HN 0.923 nan 8.270 nan 0.000 0.453 216 Y N -2.620 117.632 120.300 -0.080 0.000 2.423 216 Y HA 0.441 4.991 4.550 0.000 0.000 0.257 216 Y C 0.397 176.270 175.900 -0.044 0.000 1.087 216 Y CA -0.571 57.496 58.100 -0.055 0.000 1.258 216 Y CB 0.322 38.752 38.460 -0.050 0.000 1.237 216 Y HN -0.216 nan 8.280 nan 0.000 0.517 217 L N 2.592 123.493 121.223 -0.537 0.000 2.322 217 L HA 0.415 4.755 4.340 0.000 0.000 0.279 217 L C -0.208 176.547 176.870 -0.191 0.000 1.036 217 L CA -1.295 53.318 54.840 -0.379 0.000 0.807 217 L CB 1.395 43.157 42.059 -0.496 0.000 1.226 217 L HN -0.061 nan 8.230 nan 0.000 0.433 218 K N 2.067 122.396 120.400 -0.118 0.000 2.447 218 K HA 0.167 4.488 4.320 0.000 0.000 0.281 218 K C -0.532 176.031 176.600 -0.061 0.000 1.031 218 K CA 0.147 56.392 56.287 -0.070 0.000 1.019 218 K CB 0.440 32.912 32.500 -0.046 0.000 0.918 218 K HN 0.676 nan 8.250 nan 0.000 0.476 219 T N 1.594 116.122 114.554 -0.043 0.000 2.887 219 T HA 0.228 4.578 4.350 0.000 0.000 0.288 219 T C -0.798 173.894 174.700 -0.014 0.000 1.021 219 T CA -1.076 61.009 62.100 -0.025 0.000 1.000 219 T CB 1.309 70.166 68.868 -0.018 0.000 1.034 219 T HN 0.606 nan 8.240 nan 0.000 0.467 220 D N 0.981 121.377 120.400 -0.007 0.000 2.401 220 D HA 0.095 4.735 4.640 0.000 0.000 0.254 220 D C 0.643 176.940 176.300 -0.005 0.000 1.192 220 D CA -0.071 53.926 54.000 -0.005 0.000 0.885 220 D CB 0.539 41.338 40.800 -0.002 0.000 1.147 220 D HN 0.396 nan 8.370 nan 0.000 0.478 221 D N 3.160 123.557 120.400 -0.005 0.000 2.221 221 D HA -0.135 4.506 4.640 0.000 0.000 0.204 221 D C 1.245 177.544 176.300 -0.003 0.000 0.982 221 D CA 1.148 55.145 54.000 -0.004 0.000 0.857 221 D CB 0.273 41.071 40.800 -0.003 0.000 0.934 221 D HN 0.525 nan 8.370 nan 0.000 0.475 222 K N -0.410 119.988 120.400 -0.003 0.000 2.214 222 K HA 0.063 4.383 4.320 0.000 0.000 0.201 222 K C 2.009 178.607 176.600 -0.005 0.000 1.049 222 K CA 0.714 56.999 56.287 -0.003 0.000 0.978 222 K CB 0.309 32.807 32.500 -0.003 0.000 0.842 222 K HN 0.033 nan 8.250 nan 0.000 0.474 223 S N -0.742 114.955 115.700 -0.005 0.000 2.511 223 S HA 0.160 4.630 4.470 0.000 0.000 0.214 223 S C 1.493 176.088 174.600 -0.009 0.000 0.997 223 S CA 0.447 58.643 58.200 -0.007 0.000 0.908 223 S CB 0.671 63.868 63.200 -0.005 0.000 0.803 223 S HN 0.420 nan 8.310 nan 0.000 0.504 224 G N 1.595 110.392 108.800 -0.005 0.000 2.189 224 G HA2 -0.300 3.661 3.960 0.000 0.000 0.267 224 G HA3 -0.300 3.661 3.960 0.000 0.000 0.267 224 G C 0.005 174.909 174.900 0.006 0.000 0.975 224 G CA 0.541 45.640 45.100 -0.002 0.000 0.644 224 G HN 0.603 nan 8.290 nan 0.000 0.537 225 K N 0.252 120.656 120.400 0.008 0.000 2.298 225 K HA 0.450 4.771 4.320 0.000 0.000 0.280 225 K C 0.823 177.439 176.600 0.028 0.000 1.032 225 K CA -0.556 55.747 56.287 0.027 0.000 0.958 225 K CB 1.054 33.568 32.500 0.023 0.000 0.978 225 K HN 0.288 nan 8.250 nan 0.000 0.472 226 I N 3.155 123.754 120.570 0.049 0.000 2.668 226 I HA -0.134 4.036 4.170 0.000 0.000 0.285 226 I C 1.190 177.306 176.117 -0.002 0.000 1.168 226 I CA 0.148 61.453 61.300 0.008 0.000 1.424 226 I CB 0.411 38.406 38.000 -0.008 0.000 1.377 226 I HN 0.460 nan 8.210 nan 0.000 0.560 227 V N 1.092 120.995 119.914 -0.019 0.000 3.432 227 V HA 0.175 4.295 4.120 0.000 0.000 0.298 227 V C 0.693 176.772 176.094 -0.026 0.000 1.464 227 V CA -0.411 61.880 62.300 -0.015 0.000 1.046 227 V CB -0.173 31.645 31.823 -0.009 0.000 0.887 227 V HN 0.708 nan 8.190 nan 0.000 0.441 228 D N 3.105 123.478 120.400 -0.045 0.000 2.586 228 D HA 0.019 4.659 4.640 0.000 0.000 0.234 228 D C -1.339 174.938 176.300 -0.038 0.000 1.132 228 D CA -0.510 53.460 54.000 -0.051 0.000 0.860 228 D CB 1.967 42.714 40.800 -0.088 0.000 1.159 228 D HN 0.176 nan 8.370 nan 0.000 0.490 229 P HA -0.087 nan 4.420 nan 0.000 0.221 229 P C 0.999 178.287 177.300 -0.020 0.000 1.145 229 P CA 0.965 64.057 63.100 -0.015 0.000 0.795 229 P CB 0.244 31.941 31.700 -0.005 0.000 0.775 230 R N -1.599 118.884 120.500 -0.029 0.000 2.200 230 R HA 0.085 4.425 4.340 0.000 0.000 0.208 230 R C 0.544 176.814 176.300 -0.050 0.000 1.033 230 R CA -0.102 55.980 56.100 -0.030 0.000 1.000 230 R CB -0.409 29.883 30.300 -0.014 0.000 0.906 230 R HN 0.139 nan 8.270 nan 0.000 0.462 231 L N 1.952 123.138 121.223 -0.062 0.000 2.319 231 L HA 0.130 4.470 4.340 0.000 0.000 0.280 231 L C -0.883 175.947 176.870 -0.067 0.000 1.099 231 L CA 0.370 55.166 54.840 -0.073 0.000 0.828 231 L CB 1.120 43.129 42.059 -0.083 0.000 1.150 231 L HN -0.009 nan 8.230 nan 0.000 0.442 232 Q N 6.549 126.297 119.800 -0.087 0.000 2.397 232 Q HA 0.390 4.730 4.340 0.000 0.000 0.260 232 Q C -0.835 175.109 176.000 -0.093 0.000 1.002 232 Q CA -0.400 55.355 55.803 -0.079 0.000 0.716 232 Q CB 1.733 30.418 28.738 -0.089 0.000 1.258 232 Q HN 0.679 nan 8.270 nan 0.000 0.477 233 L N 1.472 122.653 121.223 -0.070 0.000 2.475 233 L HA 0.267 4.607 4.340 0.000 0.000 0.253 233 L C 0.756 177.584 176.870 -0.070 0.000 1.198 233 L CA -0.565 54.226 54.840 -0.081 0.000 0.814 233 L CB 0.215 42.247 42.059 -0.045 0.000 1.134 233 L HN 0.612 nan 8.230 nan 0.000 0.478 234 N N 0.747 119.393 118.700 -0.089 0.000 2.725 234 N HA -0.159 4.581 4.740 0.000 0.000 0.251 234 N C -0.863 174.611 175.510 -0.060 0.000 1.031 234 N CA 0.806 53.818 53.050 -0.063 0.000 0.720 234 N CB -0.807 37.672 38.487 -0.014 0.000 0.930 234 N HN 0.509 nan 8.380 nan 0.000 0.543 235 K N 0.748 121.082 120.400 -0.110 0.000 2.626 235 K HA 0.300 4.621 4.320 0.000 0.000 0.223 235 K C -0.480 176.040 176.600 -0.134 0.000 0.992 235 K CA -0.415 55.816 56.287 -0.093 0.000 1.024 235 K CB 1.621 34.047 32.500 -0.123 0.000 1.225 235 K HN -0.083 nan 8.250 nan 0.000 0.498 236 V N 3.648 123.511 119.914 -0.085 0.000 2.322 236 V HA 0.091 4.211 4.120 0.000 0.000 0.258 236 V C 0.625 176.695 176.094 -0.040 0.000 1.074 236 V CA -0.781 61.471 62.300 -0.080 0.000 0.909 236 V CB 0.916 32.766 31.823 0.044 0.000 1.090 236 V HN 0.284 nan 8.190 nan 0.000 0.486 237 V N 7.526 127.393 119.914 -0.078 0.000 2.557 237 V HA 0.104 4.225 4.120 0.000 0.000 0.301 237 V C 1.317 177.379 176.094 -0.054 0.000 1.026 237 V CA 0.330 62.589 62.300 -0.069 0.000 1.137 237 V CB 0.580 32.336 31.823 -0.112 0.000 0.917 237 V HN 0.792 nan 8.190 nan 0.000 0.484 238 R N 2.453 122.923 120.500 -0.050 0.000 2.453 238 R HA 0.344 4.684 4.340 0.000 0.000 0.233 238 R C 0.410 176.657 176.300 -0.088 0.000 0.895 238 R CA 0.077 56.149 56.100 -0.048 0.000 1.028 238 R CB 0.691 30.981 30.300 -0.017 0.000 1.255 238 R HN 0.788 nan 8.270 nan 0.000 0.571 239 E N 0.531 120.666 120.200 -0.108 0.000 2.290 239 E HA 0.427 4.777 4.350 0.000 0.000 0.274 239 E C -1.245 175.248 176.600 -0.178 0.000 0.889 239 E CA -0.432 55.885 56.400 -0.137 0.000 0.760 239 E CB 1.989 31.652 29.700 -0.062 0.000 1.206 239 E HN -0.067 nan 8.360 nan 0.000 0.419 240 I N 4.092 124.485 120.570 -0.295 0.000 2.382 240 I HA 0.318 4.488 4.170 0.000 0.000 0.286 240 I C -0.370 175.757 176.117 0.017 0.000 1.002 240 I CA -0.688 60.491 61.300 -0.203 0.000 1.135 240 I CB 1.444 39.208 38.000 -0.393 0.000 1.288 240 I HN 0.163 nan 8.210 nan 0.000 0.448 241 K N 7.369 127.821 120.400 0.087 0.000 2.213 241 K HA 0.462 4.782 4.320 0.000 0.000 0.270 241 K C -1.301 175.436 176.600 0.228 0.000 1.002 241 K CA -0.650 55.727 56.287 0.150 0.000 0.868 241 K CB 1.524 34.054 32.500 0.049 0.000 1.093 241 K HN 0.534 nan 8.250 nan 0.000 0.454 242 Y N -0.833 119.493 120.300 0.043 0.000 2.391 242 Y HA 0.582 5.133 4.550 0.000 0.000 0.341 242 Y C -0.315 175.606 175.900 0.035 0.000 0.965 242 Y CA -1.040 57.085 58.100 0.043 0.000 1.067 242 Y CB 1.711 40.219 38.460 0.080 0.000 1.199 242 Y HN 0.562 nan 8.280 nan 0.000 0.450 243 S N 2.474 118.173 115.700 -0.001 0.000 2.704 243 S HA 0.576 5.046 4.470 0.000 0.000 0.296 243 S C -2.367 172.240 174.600 0.011 0.000 1.138 243 S CA -1.678 56.485 58.200 -0.062 0.000 0.875 243 S CB 1.863 65.024 63.200 -0.066 0.000 1.151 243 S HN 0.509 nan 8.310 nan 0.000 0.500 244 P HA 0.064 nan 4.420 nan 0.000 0.220 244 P C 1.581 178.883 177.300 0.004 0.000 1.148 244 P CA 1.679 64.795 63.100 0.027 0.000 0.803 244 P CB -0.694 31.020 31.700 0.023 0.000 0.782 245 G N -0.323 108.469 108.800 -0.013 0.000 2.422 245 G HA2 0.185 4.145 3.960 0.000 0.000 0.218 245 G HA3 0.185 4.145 3.960 0.000 0.000 0.218 245 G C 0.757 175.622 174.900 -0.058 0.000 1.146 245 G CA 0.855 45.937 45.100 -0.030 0.000 0.769 245 G HN 0.707 nan 8.290 nan 0.000 0.547 246 G N -2.135 106.636 108.800 -0.049 0.000 2.350 246 G HA2 0.460 4.420 3.960 0.000 0.000 0.304 246 G HA3 0.460 4.420 3.960 0.000 0.000 0.304 246 G C -1.018 173.874 174.900 -0.012 0.000 1.421 246 G CA -0.176 44.875 45.100 -0.081 0.000 0.934 246 G HN 1.160 nan 8.290 nan 0.000 0.632 247 V N -1.322 118.587 119.914 -0.008 0.000 2.716 247 V HA 0.956 5.077 4.120 0.000 0.000 0.304 247 V C 0.375 176.487 176.094 0.030 0.000 1.053 247 V CA 0.524 62.855 62.300 0.052 0.000 0.984 247 V CB 1.546 33.412 31.823 0.071 0.000 1.021 247 V HN 2.045 nan 8.190 nan 0.000 0.467 248 T N 2.436 117.015 114.554 0.043 0.000 2.893 248 T HA 0.770 5.120 4.350 0.000 0.000 0.291 248 T C -0.941 173.781 174.700 0.036 0.000 1.028 248 T CA -0.520 61.602 62.100 0.037 0.000 0.995 248 T CB 1.664 70.544 68.868 0.020 0.000 1.051 248 T HN 0.996 nan 8.240 nan 0.000 0.470 249 V N 3.438 123.389 119.914 0.063 0.000 2.735 249 V HA 0.654 4.775 4.120 0.000 0.000 0.310 249 V C -0.531 175.631 176.094 0.113 0.000 1.061 249 V CA -0.964 61.368 62.300 0.053 0.000 0.913 249 V CB 2.140 33.981 31.823 0.030 0.000 1.005 249 V HN 0.944 nan 8.190 nan 0.000 0.428 250 K N 1.935 122.369 120.400 0.056 0.000 2.471 250 K HA 0.620 4.940 4.320 0.000 0.000 0.252 250 K C -0.656 175.976 176.600 0.053 0.000 0.938 250 K CA -0.610 55.714 56.287 0.062 0.000 0.796 250 K CB 2.381 34.887 32.500 0.010 0.000 1.161 250 K HN 0.656 nan 8.250 nan 0.000 0.425 251 T N 0.960 115.573 114.554 0.098 0.000 2.810 251 T HA 0.067 4.417 4.350 0.000 0.000 0.277 251 T C 1.173 175.895 174.700 0.037 0.000 0.973 251 T CA -0.418 61.724 62.100 0.070 0.000 0.949 251 T CB 1.021 69.968 68.868 0.131 0.000 1.075 251 T HN 0.590 nan 8.240 nan 0.000 0.537 252 E N 0.230 120.448 120.200 0.030 0.000 2.230 252 E HA -0.085 4.265 4.350 0.000 0.000 0.192 252 E C 0.605 177.218 176.600 0.022 0.000 0.987 252 E CA 0.473 56.889 56.400 0.025 0.000 0.841 252 E CB 0.084 29.805 29.700 0.036 0.000 0.783 252 E HN 0.596 nan 8.360 nan 0.000 0.481 253 D N 0.500 120.917 120.400 0.028 0.000 2.504 253 D HA -0.114 4.526 4.640 0.000 0.000 0.243 253 D C -0.041 176.265 176.300 0.010 0.000 1.203 253 D CA -0.118 53.895 54.000 0.021 0.000 0.847 253 D CB -0.840 39.977 40.800 0.028 0.000 0.973 253 D HN -0.063 nan 8.370 nan 0.000 0.490 254 N N -0.092 118.612 118.700 0.005 0.000 2.686 254 N HA -0.225 4.515 4.740 0.000 0.000 0.261 254 N C -1.270 174.220 175.510 -0.033 0.000 1.001 254 N CA 0.665 53.708 53.050 -0.011 0.000 0.764 254 N CB -1.335 37.142 38.487 -0.016 0.000 0.898 254 N HN 0.260 nan 8.380 nan 0.000 0.544 255 S N -0.716 114.967 115.700 -0.028 0.000 2.704 255 S HA 0.812 5.282 4.470 0.000 0.000 0.305 255 S C -0.294 174.214 174.600 -0.153 0.000 1.107 255 S CA -0.578 57.548 58.200 -0.125 0.000 0.993 255 S CB 2.500 65.642 63.200 -0.095 0.000 1.110 255 S HN 0.173 nan 8.310 nan 0.000 0.534 256 V N 2.203 121.909 119.914 -0.348 0.000 2.577 256 V HA 0.362 4.482 4.120 0.000 0.000 0.294 256 V C -1.930 173.939 176.094 -0.374 0.000 1.052 256 V CA -0.624 61.538 62.300 -0.230 0.000 0.891 256 V CB 0.773 32.516 31.823 -0.134 0.000 1.017 256 V HN 0.828 nan 8.190 nan 0.000 0.436 257 Y N 1.517 121.798 120.300 -0.031 0.000 2.377 257 Y HA 0.673 5.223 4.550 0.000 0.000 0.339 257 Y C 0.714 176.597 175.900 -0.029 0.000 1.011 257 Y CA -0.570 57.512 58.100 -0.030 0.000 1.093 257 Y CB 2.228 40.668 38.460 -0.033 0.000 1.201 257 Y HN 0.519 nan 8.280 nan 0.000 0.455 258 S N 2.025 117.787 115.700 0.103 0.000 2.451 258 S HA 0.904 5.375 4.470 0.000 0.000 0.301 258 S C -0.627 174.000 174.600 0.045 0.000 1.116 258 S CA -0.661 57.568 58.200 0.048 0.000 1.093 258 S CB 1.224 64.431 63.200 0.011 0.000 1.017 258 S HN 0.786 nan 8.310 nan 0.000 0.482 259 A N 1.824 124.654 122.820 0.017 0.000 2.609 259 A HA 0.608 4.928 4.320 0.000 0.000 0.291 259 A C 0.007 177.551 177.584 -0.067 0.000 1.096 259 A CA -0.715 51.319 52.037 -0.005 0.000 0.684 259 A CB 0.695 19.703 19.000 0.014 0.000 1.282 259 A HN 0.621 nan 8.150 nan 0.000 0.412 260 D N -0.534 119.797 120.400 -0.116 0.000 2.178 260 D HA -0.013 4.628 4.640 0.000 0.000 0.201 260 D C -0.452 175.464 176.300 -0.641 0.000 0.980 260 D CA 2.279 56.062 54.000 -0.361 0.000 0.842 260 D CB -0.065 40.530 40.800 -0.341 0.000 0.948 260 D HN 0.511 nan 8.370 nan 0.000 0.472 261 Y N -1.333 118.962 120.300 -0.008 0.000 2.544 261 Y HA 0.391 4.941 4.550 0.000 0.000 0.342 261 Y C -0.533 175.344 175.900 -0.039 0.000 1.062 261 Y CA -1.036 57.055 58.100 -0.014 0.000 1.023 261 Y CB 2.331 40.733 38.460 -0.096 0.000 1.308 261 Y HN -0.370 nan 8.280 nan 0.000 0.457 262 V N 4.463 124.458 119.914 0.135 0.000 2.495 262 V HA 0.622 4.743 4.120 0.000 0.000 0.298 262 V C -1.026 175.057 176.094 -0.019 0.000 1.031 262 V CA -0.723 61.588 62.300 0.019 0.000 0.871 262 V CB 1.586 33.390 31.823 -0.032 0.000 0.988 262 V HN 0.772 nan 8.190 nan 0.000 0.432 263 M N 7.897 127.456 119.600 -0.068 0.000 2.101 263 M HA 0.577 5.058 4.480 0.000 0.000 0.340 263 M C -1.342 174.890 176.300 -0.112 0.000 1.057 263 M CA -0.027 55.217 55.300 -0.093 0.000 0.984 263 M CB 1.280 33.821 32.600 -0.097 0.000 1.560 263 M HN 0.369 nan 8.290 nan 0.000 0.435 264 V N 4.807 124.622 119.914 -0.165 0.000 2.370 264 V HA 0.462 4.582 4.120 0.000 0.000 0.279 264 V C 0.541 176.657 176.094 0.035 0.000 1.029 264 V CA -0.006 62.245 62.300 -0.082 0.000 0.870 264 V CB 0.966 32.730 31.823 -0.097 0.000 0.984 264 V HN 1.009 nan 8.190 nan 0.000 0.451 265 S N 2.812 118.542 115.700 0.050 0.000 2.603 265 S HA 0.365 4.835 4.470 0.000 0.000 0.232 265 S C 0.875 175.573 174.600 0.164 0.000 1.016 265 S CA 0.283 58.539 58.200 0.094 0.000 0.976 265 S CB 0.340 63.563 63.200 0.037 0.000 0.921 265 S HN 1.037 nan 8.310 nan 0.000 0.516 266 A N 2.833 125.740 122.820 0.145 0.000 2.587 266 A HA 0.457 4.777 4.320 0.000 0.000 0.233 266 A C 0.881 178.587 177.584 0.202 0.000 1.049 266 A CA 0.340 52.468 52.037 0.151 0.000 0.754 266 A CB -0.360 18.702 19.000 0.103 0.000 0.977 266 A HN 1.149 nan 8.150 nan 0.000 0.509 267 S N 2.042 117.851 115.700 0.183 0.000 2.558 267 S HA 0.040 4.510 4.470 0.000 0.000 0.287 267 S C 1.121 175.604 174.600 -0.193 0.000 1.321 267 S CA 0.212 58.465 58.200 0.088 0.000 1.048 267 S CB 0.159 63.467 63.200 0.180 0.000 0.844 267 S HN 1.592 nan 8.310 nan 0.000 0.512 268 L N 3.924 124.768 121.223 -0.632 0.000 2.103 268 L HA -0.021 4.319 4.340 0.000 0.000 0.215 268 L C 2.295 179.032 176.870 -0.222 0.000 1.080 268 L CA 2.679 57.178 54.840 -0.567 0.000 0.764 268 L CB -1.446 40.311 42.059 -0.503 0.000 0.890 268 L HN 0.986 nan 8.230 nan 0.000 0.435 269 G N -1.049 107.707 108.800 -0.074 0.000 2.459 269 G HA2 -0.250 3.710 3.960 0.000 0.000 0.217 269 G HA3 -0.250 3.710 3.960 0.000 0.000 0.217 269 G C 1.527 176.442 174.900 0.025 0.000 1.183 269 G CA 1.241 46.359 45.100 0.031 0.000 0.776 269 G HN 0.355 nan 8.290 nan 0.000 0.552 270 V N 1.090 121.027 119.914 0.039 0.000 2.332 270 V HA -0.152 3.968 4.120 0.000 0.000 0.248 270 V C 2.943 179.052 176.094 0.024 0.000 1.055 270 V CA 1.588 63.916 62.300 0.047 0.000 1.038 270 V CB -0.456 31.413 31.823 0.076 0.000 0.651 270 V HN 0.360 nan 8.190 nan 0.000 0.450 271 L N -0.756 120.449 121.223 -0.031 0.000 2.131 271 L HA -0.258 4.083 4.340 0.000 0.000 0.210 271 L C 2.591 179.371 176.870 -0.149 0.000 1.092 271 L CA 1.630 56.434 54.840 -0.060 0.000 0.759 271 L CB -0.568 41.392 42.059 -0.165 0.000 0.903 271 L HN 0.382 nan 8.230 nan 0.000 0.435 272 Q N -0.254 119.432 119.800 -0.190 0.000 2.230 272 Q HA -0.065 4.276 4.340 0.000 0.000 0.202 272 Q C 1.313 177.365 176.000 0.087 0.000 0.963 272 Q CA 0.842 56.506 55.803 -0.231 0.000 0.866 272 Q CB 0.153 28.804 28.738 -0.144 0.000 0.931 272 Q HN 0.579 nan 8.270 nan 0.000 0.452 273 S N -0.050 115.692 115.700 0.071 0.000 2.617 273 S HA 0.034 4.504 4.470 0.000 0.000 0.259 273 S C 0.460 175.122 174.600 0.103 0.000 1.301 273 S CA -0.590 57.664 58.200 0.090 0.000 0.984 273 S CB 0.681 63.907 63.200 0.043 0.000 0.954 273 S HN 0.023 nan 8.310 nan 0.000 0.572 274 D N -0.209 120.240 120.400 0.080 0.000 2.349 274 D HA 0.082 4.722 4.640 0.000 0.000 0.224 274 D C 1.431 177.767 176.300 0.060 0.000 1.029 274 D CA 0.043 54.090 54.000 0.079 0.000 0.879 274 D CB -0.265 40.568 40.800 0.056 0.000 0.906 274 D HN 0.481 nan 8.370 nan 0.000 0.528 275 L N 0.341 121.593 121.223 0.048 0.000 1.994 275 L HA -0.032 4.309 4.340 0.000 0.000 0.208 275 L C 0.666 177.547 176.870 0.017 0.000 1.071 275 L CA 1.426 56.285 54.840 0.030 0.000 0.745 275 L CB -0.066 42.015 42.059 0.037 0.000 0.892 275 L HN -0.133 nan 8.230 nan 0.000 0.431 276 I N 1.307 121.887 120.570 0.017 0.000 2.281 276 I HA 0.108 4.279 4.170 0.000 0.000 0.293 276 I C 0.150 176.222 176.117 -0.075 0.000 1.085 276 I CA -0.047 61.204 61.300 -0.082 0.000 1.257 276 I CB 0.409 38.313 38.000 -0.159 0.000 1.430 276 I HN 0.267 nan 8.210 nan 0.000 0.489 277 Q N 6.076 125.827 119.800 -0.081 0.000 2.297 277 Q HA 0.243 4.583 4.340 0.000 0.000 0.267 277 Q C -1.317 174.621 176.000 -0.104 0.000 1.006 277 Q CA 0.001 55.801 55.803 -0.006 0.000 0.896 277 Q CB 0.766 29.506 28.738 0.004 0.000 1.186 277 Q HN 0.406 nan 8.270 nan 0.000 0.392 278 F N 3.175 123.169 119.950 0.074 0.000 2.420 278 F HA 0.374 4.901 4.527 0.000 0.000 0.342 278 F C 0.410 176.319 175.800 0.181 0.000 1.113 278 F CA -0.427 57.653 58.000 0.132 0.000 1.059 278 F CB 1.345 40.414 39.000 0.116 0.000 1.128 278 F HN 0.307 nan 8.300 nan 0.000 0.475 279 K N 5.912 126.540 120.400 0.379 0.000 2.613 279 K HA 0.383 4.703 4.320 0.000 0.000 0.248 279 K C -2.847 173.769 176.600 0.027 0.000 0.959 279 K CA -2.125 54.275 56.287 0.189 0.000 0.855 279 K CB 1.628 34.178 32.500 0.083 0.000 1.143 279 K HN 0.182 nan 8.250 nan 0.000 0.437 280 P HA 0.020 nan 4.420 nan 0.000 0.272 280 P C -0.912 176.530 177.300 0.237 0.000 1.230 280 P CA -0.248 62.841 63.100 -0.018 0.000 0.788 280 P CB 0.664 32.276 31.700 -0.146 0.000 0.949 281 K N 1.364 121.863 120.400 0.166 0.000 2.561 281 K HA 0.011 4.332 4.320 0.000 0.000 0.280 281 K C 0.487 177.161 176.600 0.123 0.000 0.975 281 K CA 0.155 56.536 56.287 0.157 0.000 1.024 281 K CB -0.207 32.340 32.500 0.078 0.000 0.883 281 K HN 0.404 nan 8.250 nan 0.000 0.496 282 L N 4.818 126.043 121.223 0.004 0.000 2.483 282 L HA 0.056 4.396 4.340 0.000 0.000 0.276 282 L C -1.536 175.207 176.870 -0.212 0.000 1.213 282 L CA -1.603 53.128 54.840 -0.181 0.000 0.843 282 L CB -0.252 41.533 42.059 -0.456 0.000 1.107 282 L HN 0.492 nan 8.230 nan 0.000 0.487 283 P HA 0.004 nan 4.420 nan 0.000 0.268 283 P C 0.417 177.445 177.300 -0.453 0.000 1.208 283 P CA -0.168 62.725 63.100 -0.344 0.000 0.777 283 P CB 0.527 31.957 31.700 -0.451 0.000 0.875 284 T N 0.930 115.368 114.554 -0.193 0.000 2.759 284 T HA -0.147 4.204 4.350 0.000 0.000 0.269 284 T C 1.614 176.255 174.700 -0.098 0.000 1.042 284 T CA 1.615 63.655 62.100 -0.100 0.000 1.140 284 T CB -0.571 68.307 68.868 0.016 0.000 0.864 284 T HN 0.630 nan 8.240 nan 0.000 0.455 285 W N 2.597 123.886 121.300 -0.018 0.000 2.338 285 W HA -0.105 4.555 4.660 0.000 0.000 0.304 285 W C 1.984 178.455 176.519 -0.079 0.000 1.212 285 W CA 1.274 58.602 57.345 -0.028 0.000 1.264 285 W CB -1.037 28.412 29.460 -0.018 0.000 1.142 285 W HN 0.152 nan 8.180 nan 0.000 0.512 286 K N 1.642 121.387 120.400 -1.091 0.000 2.025 286 K HA -0.126 4.194 4.320 0.000 0.000 0.207 286 K C 2.000 178.289 176.600 -0.519 0.000 1.049 286 K CA 2.516 58.192 56.287 -1.019 0.000 0.933 286 K CB -0.919 30.682 32.500 -1.498 0.000 0.714 286 K HN 0.055 nan 8.250 nan 0.000 0.438 287 V N 1.918 121.590 119.914 -0.403 0.000 2.332 287 V HA -0.268 3.853 4.120 0.000 0.000 0.248 287 V C 2.518 178.608 176.094 -0.007 0.000 1.055 287 V CA 2.055 64.258 62.300 -0.162 0.000 1.038 287 V CB -0.537 31.244 31.823 -0.071 0.000 0.651 287 V HN 0.315 nan 8.190 nan 0.000 0.450 288 R N 0.246 120.738 120.500 -0.015 0.000 2.066 288 R HA -0.067 4.273 4.340 0.000 0.000 0.232 288 R C 2.500 178.822 176.300 0.037 0.000 1.131 288 R CA 1.517 57.652 56.100 0.058 0.000 0.955 288 R CB -1.151 29.192 30.300 0.072 0.000 0.851 288 R HN 0.520 nan 8.270 nan 0.000 0.432 289 A N 1.908 124.717 122.820 -0.018 0.000 1.881 289 A HA -0.232 4.089 4.320 0.000 0.000 0.219 289 A C 2.354 179.867 177.584 -0.118 0.000 1.215 289 A CA 1.875 53.876 52.037 -0.061 0.000 0.648 289 A CB -0.837 18.090 19.000 -0.122 0.000 0.832 289 A HN 0.222 nan 8.150 nan 0.000 0.455 290 I N -2.270 118.155 120.570 -0.242 0.000 2.113 290 I HA -0.340 3.830 4.170 0.000 0.000 0.242 290 I C 2.372 178.306 176.117 -0.305 0.000 1.064 290 I CA 2.031 63.112 61.300 -0.365 0.000 1.320 290 I CB -0.408 37.263 38.000 -0.548 0.000 1.028 290 I HN 0.475 nan 8.210 nan 0.000 0.406 291 Y N -0.189 120.077 120.300 -0.057 0.000 2.519 291 Y HA -0.079 4.472 4.550 0.000 0.000 0.287 291 Y C 2.601 178.503 175.900 0.004 0.000 1.128 291 Y CA 0.347 58.435 58.100 -0.020 0.000 1.282 291 Y CB -0.076 38.370 38.460 -0.024 0.000 1.027 291 Y HN 0.169 nan 8.280 nan 0.000 0.551 292 Q N -0.330 119.545 119.800 0.125 0.000 2.046 292 Q HA -0.137 4.204 4.340 0.000 0.000 0.200 292 Q C 0.486 176.525 176.000 0.064 0.000 0.975 292 Q CA 0.942 56.799 55.803 0.091 0.000 0.836 292 Q CB -0.418 28.373 28.738 0.089 0.000 0.896 292 Q HN 0.330 nan 8.270 nan 0.000 0.428 293 F N 1.465 121.360 119.950 -0.093 0.000 2.440 293 F HA -0.008 4.519 4.527 0.000 0.000 0.323 293 F C 0.172 175.926 175.800 -0.076 0.000 1.192 293 F CA -0.043 57.885 58.000 -0.120 0.000 1.252 293 F CB 0.686 39.589 39.000 -0.163 0.000 1.214 293 F HN -0.117 nan 8.300 nan 0.000 0.578 294 D N 2.872 123.221 120.400 -0.086 0.000 2.256 294 D HA 0.235 4.875 4.640 0.000 0.000 0.240 294 D C -0.731 175.618 176.300 0.081 0.000 1.062 294 D CA -0.295 53.687 54.000 -0.030 0.000 0.832 294 D CB 1.621 42.343 40.800 -0.129 0.000 1.135 294 D HN 0.276 nan 8.370 nan 0.000 0.484 295 M N 2.995 122.628 119.600 0.056 0.000 2.206 295 M HA 0.456 4.936 4.480 0.000 0.000 0.353 295 M C -0.523 175.765 176.300 -0.021 0.000 1.242 295 M CA -0.451 54.876 55.300 0.044 0.000 1.179 295 M CB 0.236 32.871 32.600 0.059 0.000 1.374 295 M HN 0.367 nan 8.290 nan 0.000 0.427 296 A N 4.026 126.788 122.820 -0.096 0.000 2.366 296 A HA 0.627 4.947 4.320 0.000 0.000 0.249 296 A C -0.665 176.746 177.584 -0.289 0.000 1.084 296 A CA -0.578 51.336 52.037 -0.204 0.000 0.794 296 A CB 0.454 19.307 19.000 -0.246 0.000 1.034 296 A HN 0.657 nan 8.150 nan 0.000 0.491 297 V N 0.977 120.759 119.914 -0.220 0.000 2.487 297 V HA 0.398 4.518 4.120 0.000 0.000 0.298 297 V C -1.104 174.958 176.094 -0.054 0.000 1.028 297 V CA -0.206 62.020 62.300 -0.123 0.000 0.860 297 V CB 1.205 32.977 31.823 -0.085 0.000 0.991 297 V HN 0.770 nan 8.190 nan 0.000 0.427 298 Y N 2.870 123.087 120.300 -0.139 0.000 2.445 298 Y HA 0.482 5.033 4.550 0.000 0.000 0.332 298 Y C 0.131 176.118 175.900 0.145 0.000 1.037 298 Y CA -0.276 57.820 58.100 -0.006 0.000 1.296 298 Y CB 1.407 39.868 38.460 0.002 0.000 1.099 298 Y HN 0.667 nan 8.280 nan 0.000 0.496 299 T N 7.052 121.632 114.554 0.043 0.000 2.728 299 T HA 0.324 4.674 4.350 0.000 0.000 0.296 299 T C 0.071 174.781 174.700 0.018 0.000 0.940 299 T CA -0.361 61.815 62.100 0.126 0.000 1.013 299 T CB 0.422 69.347 68.868 0.095 0.000 0.912 299 T HN 0.607 nan 8.240 nan 0.000 0.484 300 M N 4.618 124.307 119.600 0.148 0.000 2.435 300 M HA 0.336 4.817 4.480 0.000 0.000 0.344 300 M C -0.347 175.858 176.300 -0.159 0.000 1.329 300 M CA -0.289 55.001 55.300 -0.018 0.000 1.320 300 M CB -0.245 32.433 32.600 0.130 0.000 1.309 300 M HN 0.463 nan 8.290 nan 0.000 0.451 301 I N 2.757 123.207 120.570 -0.200 0.000 2.471 301 I HA 0.211 4.381 4.170 0.000 0.000 0.286 301 I C -0.521 175.397 176.117 -0.332 0.000 1.079 301 I CA 0.095 61.305 61.300 -0.149 0.000 1.398 301 I CB 0.296 38.256 38.000 -0.066 0.000 1.403 301 I HN 0.410 nan 8.210 nan 0.000 0.530 302 F N 6.475 126.351 119.950 -0.125 0.000 2.443 302 F HA 0.620 5.147 4.527 0.000 0.000 0.335 302 F C -0.183 175.486 175.800 -0.218 0.000 1.104 302 F CA -0.646 57.140 58.000 -0.357 0.000 1.013 302 F CB 1.478 39.870 39.000 -1.015 0.000 1.136 302 F HN 0.180 nan 8.300 nan 0.000 0.470 303 L N 3.160 124.450 121.223 0.110 0.000 2.385 303 L HA 0.498 4.838 4.340 0.000 0.000 0.273 303 L C -0.778 176.197 176.870 0.174 0.000 0.990 303 L CA -0.910 54.017 54.840 0.146 0.000 0.821 303 L CB 2.147 44.217 42.059 0.018 0.000 1.279 303 L HN 0.417 nan 8.230 nan 0.000 0.412 304 K N 2.243 122.730 120.400 0.145 0.000 2.159 304 K HA 0.694 5.014 4.320 0.000 0.000 0.266 304 K C -1.526 174.944 176.600 -0.218 0.000 0.975 304 K CA 0.002 56.353 56.287 0.108 0.000 0.865 304 K CB 0.864 33.419 32.500 0.090 0.000 1.087 304 K HN 0.283 nan 8.250 nan 0.000 0.446 305 F N 4.507 124.635 119.950 0.297 0.000 2.561 305 F HA 0.387 4.914 4.527 0.000 0.000 0.321 305 F C -1.487 174.421 175.800 0.181 0.000 1.065 305 F CA -2.170 55.998 58.000 0.280 0.000 0.934 305 F CB 2.002 41.246 39.000 0.407 0.000 1.215 305 F HN 0.546 nan 8.300 nan 0.000 0.471 306 P HA -0.079 nan 4.420 nan 0.000 0.214 306 P C -0.628 176.759 177.300 0.145 0.000 1.162 306 P CA 1.451 64.670 63.100 0.198 0.000 0.879 306 P CB 0.194 31.996 31.700 0.170 0.000 0.786 307 R N -1.126 119.455 120.500 0.135 0.000 2.888 307 R HA 0.511 4.851 4.340 0.000 0.000 0.264 307 R C -0.568 175.595 176.300 -0.228 0.000 1.045 307 R CA -1.158 54.924 56.100 -0.029 0.000 0.962 307 R CB 1.238 31.503 30.300 -0.057 0.000 1.210 307 R HN -0.165 nan 8.270 nan 0.000 0.479 308 K N 0.457 120.501 120.400 -0.593 0.000 2.154 308 K HA 0.239 4.560 4.320 0.000 0.000 0.264 308 K C -0.585 175.347 176.600 -1.114 0.000 1.008 308 K CA -0.570 54.801 56.287 -1.528 0.000 0.937 308 K CB 0.545 31.946 32.500 -1.832 0.000 1.002 308 K HN 0.720 nan 8.250 nan 0.000 0.469 309 F N -1.587 117.677 119.950 -1.143 0.000 2.915 309 F HA 0.367 4.894 4.527 0.001 0.000 0.347 309 F C -0.849 174.457 175.800 -0.822 0.000 1.104 309 F CA -1.448 56.106 58.000 -0.742 0.000 1.126 309 F CB -0.386 38.267 39.000 -0.579 0.000 1.145 309 F HN 0.538 nan 8.300 nan 0.000 0.541 310 W N 1.731 122.507 121.300 -0.874 0.000 2.512 310 W HA 0.841 5.501 4.660 0.000 0.000 0.335 310 W C -2.697 173.566 176.519 -0.426 0.000 1.088 310 W CA -3.251 53.615 57.345 -0.798 0.000 1.236 310 W CB -0.351 28.620 29.460 -0.815 0.000 1.307 310 W HN -0.317 nan 8.180 nan 0.000 0.567 311 P HA -0.027 nan 4.420 nan 0.000 0.263 311 P C -0.521 176.758 177.300 -0.036 0.000 1.175 311 P CA 0.568 63.632 63.100 -0.060 0.000 0.761 311 P CB 0.705 32.408 31.700 0.004 0.000 0.794 312 E N 0.488 120.639 120.200 -0.082 0.000 2.423 312 E HA 0.687 5.037 4.350 0.000 0.000 0.269 312 E C 0.051 176.597 176.600 -0.090 0.000 0.948 312 E CA -0.933 55.428 56.400 -0.064 0.000 0.802 312 E CB 1.958 31.616 29.700 -0.070 0.000 1.339 312 E HN 0.624 nan 8.360 nan 0.000 0.445 313 G N 1.021 109.761 108.800 -0.100 0.000 2.447 313 G HA2 -0.188 3.772 3.960 0.000 0.000 0.220 313 G HA3 -0.188 3.772 3.960 0.000 0.000 0.220 313 G C -0.832 173.972 174.900 -0.159 0.000 1.261 313 G CA -0.694 44.336 45.100 -0.116 0.000 1.000 313 G HN 0.411 nan 8.290 nan 0.000 0.515 314 K N 1.077 121.357 120.400 -0.199 0.000 2.472 314 K HA 0.376 4.697 4.320 0.000 0.000 0.280 314 K C 1.499 177.822 176.600 -0.462 0.000 1.028 314 K CA 1.384 57.477 56.287 -0.323 0.000 1.045 314 K CB -0.259 32.023 32.500 -0.365 0.000 0.902 314 K HN 2.359 nan 8.250 nan 0.000 0.478 315 G N 3.929 112.462 108.800 -0.445 0.000 2.233 315 G HA2 -0.274 3.687 3.960 0.000 0.000 0.270 315 G HA3 -0.274 3.687 3.960 0.000 0.000 0.270 315 G C 0.570 175.420 174.900 -0.083 0.000 1.011 315 G CA 0.229 45.160 45.100 -0.281 0.000 0.762 315 G HN 0.643 nan 8.290 nan 0.000 0.511 316 R N -0.044 120.386 120.500 -0.116 0.000 2.310 316 R HA 0.179 4.519 4.340 0.000 0.000 0.202 316 R C 1.952 178.229 176.300 -0.038 0.000 0.933 316 R CA 0.817 56.878 56.100 -0.063 0.000 1.054 316 R CB -0.216 30.032 30.300 -0.088 0.000 0.985 316 R HN 0.782 nan 8.270 nan 0.000 0.489 317 E N -0.257 119.860 120.200 -0.140 0.000 2.072 317 E HA -0.059 4.291 4.350 0.000 0.000 0.191 317 E C -0.581 175.782 176.600 -0.394 0.000 0.985 317 E CA 0.778 56.928 56.400 -0.417 0.000 0.801 317 E CB 0.208 29.457 29.700 -0.751 0.000 0.750 317 E HN 0.109 nan 8.360 nan 0.000 0.452 318 F N 0.966 121.046 119.950 0.217 0.000 2.449 318 F HA 0.349 4.876 4.527 0.000 0.000 0.342 318 F C -0.559 175.517 175.800 0.461 0.000 1.127 318 F CA -1.286 56.896 58.000 0.303 0.000 0.975 318 F CB 1.195 40.367 39.000 0.287 0.000 1.146 318 F HN -0.097 nan 8.300 nan 0.000 0.444 319 F N 1.648 121.819 119.950 0.369 0.000 2.546 319 F HA 0.863 5.390 4.527 0.000 0.000 0.320 319 F C -1.358 174.688 175.800 0.409 0.000 1.076 319 F CA -1.468 56.750 58.000 0.363 0.000 0.928 319 F CB 1.190 40.475 39.000 0.475 0.000 1.189 319 F HN 0.099 nan 8.300 nan 0.000 0.465 320 L N 2.300 123.792 121.223 0.449 0.000 2.334 320 L HA 0.421 4.762 4.340 0.000 0.000 0.272 320 L C -1.357 175.820 176.870 0.512 0.000 1.020 320 L CA -1.201 53.859 54.840 0.366 0.000 0.812 320 L CB 1.675 43.856 42.059 0.203 0.000 1.264 320 L HN 0.660 nan 8.230 nan 0.000 0.439 321 Y N 1.530 122.025 120.300 0.326 0.000 2.356 321 Y HA 0.540 5.090 4.550 0.000 0.000 0.334 321 Y C 0.088 176.126 175.900 0.229 0.000 0.958 321 Y CA -1.294 56.978 58.100 0.287 0.000 1.196 321 Y CB 1.511 40.156 38.460 0.309 0.000 1.137 321 Y HN 0.583 nan 8.280 nan 0.000 0.485 322 A N 5.096 127.875 122.820 -0.067 0.000 3.091 322 A HA 0.329 4.649 4.320 0.000 0.000 0.264 322 A C 0.642 178.056 177.584 -0.284 0.000 1.673 322 A CA 0.154 52.146 52.037 -0.075 0.000 1.362 322 A CB -1.111 17.972 19.000 0.139 0.000 1.137 322 A HN 0.717 nan 8.150 nan 0.000 0.617 323 S N 0.699 116.120 115.700 -0.466 0.000 2.580 323 S HA 0.144 4.614 4.470 0.000 0.000 0.266 323 S C 1.497 176.047 174.600 -0.085 0.000 1.354 323 S CA 0.307 58.324 58.200 -0.304 0.000 1.008 323 S CB 0.647 63.835 63.200 -0.019 0.000 0.898 323 S HN 1.264 nan 8.310 nan 0.000 0.555 324 S N 1.877 117.553 115.700 -0.040 0.000 2.558 324 S HA 0.112 4.583 4.470 0.000 0.000 0.217 324 S C 0.759 175.353 174.600 -0.010 0.000 0.975 324 S CA -0.235 57.957 58.200 -0.012 0.000 0.912 324 S CB -0.267 62.930 63.200 -0.005 0.000 0.776 324 S HN 0.777 nan 8.310 nan 0.000 0.526 325 R N 2.130 122.624 120.500 -0.010 0.000 2.280 325 R HA 0.311 4.652 4.340 0.000 0.000 0.326 325 R C -0.112 176.207 176.300 0.032 0.000 1.080 325 R CA -0.682 55.410 56.100 -0.014 0.000 1.002 325 R CB 0.355 30.594 30.300 -0.101 0.000 1.136 325 R HN 0.235 nan 8.270 nan 0.000 0.509 326 R N 2.749 123.264 120.500 0.024 0.000 2.481 326 R HA -0.105 4.235 4.340 0.000 0.000 0.291 326 R C 0.459 176.756 176.300 -0.005 0.000 0.934 326 R CA 1.967 58.085 56.100 0.030 0.000 1.116 326 R CB 0.059 30.399 30.300 0.068 0.000 0.895 326 R HN 1.032 nan 8.270 nan 0.000 0.410 327 G N 3.298 111.989 108.800 -0.181 0.000 2.148 327 G HA2 -0.335 3.625 3.960 0.000 0.000 0.254 327 G HA3 -0.335 3.625 3.960 0.000 0.000 0.254 327 G C -0.365 174.343 174.900 -0.320 0.000 0.981 327 G CA 0.313 45.086 45.100 -0.545 0.000 0.670 327 G HN 0.719 nan 8.290 nan 0.000 0.528 328 Y N 1.167 121.335 120.300 -0.220 0.000 2.486 328 Y HA 0.439 4.990 4.550 0.001 0.000 0.348 328 Y C 1.195 177.112 175.900 0.029 0.000 1.000 328 Y CA -0.733 57.290 58.100 -0.130 0.000 1.253 328 Y CB -0.447 38.038 38.460 0.042 0.000 1.140 328 Y HN 0.358 nan 8.280 nan 0.000 0.526 329 Y N 2.746 122.811 120.300 -0.391 0.000 2.968 329 Y HA -0.332 4.219 4.550 0.000 0.000 0.215 329 Y C 1.651 177.522 175.900 -0.048 0.000 1.150 329 Y CA 0.670 58.580 58.100 -0.317 0.000 1.044 329 Y CB -1.192 37.074 38.460 -0.324 0.000 1.216 329 Y HN 0.840 nan 8.280 nan 0.000 0.537 330 G N -0.809 107.953 108.800 -0.064 0.000 2.603 330 G HA2 0.219 4.179 3.960 0.000 0.000 0.214 330 G HA3 0.219 4.179 3.960 0.000 0.000 0.214 330 G C 0.195 175.137 174.900 0.071 0.000 1.140 330 G CA 0.603 45.744 45.100 0.068 0.000 0.800 330 G HN 0.202 nan 8.290 nan 0.000 0.533 331 V N 0.445 120.241 119.914 -0.196 0.000 2.409 331 V HA 0.560 4.681 4.120 0.000 0.000 0.291 331 V C -1.225 174.610 176.094 -0.432 0.000 1.020 331 V CA -0.974 61.183 62.300 -0.238 0.000 0.848 331 V CB 1.135 32.672 31.823 -0.477 0.000 0.990 331 V HN 0.272 nan 8.190 nan 0.000 0.430 332 W N 2.677 123.778 121.300 -0.331 0.000 2.736 332 W HA 0.719 5.380 4.660 0.000 0.000 0.335 332 W C -0.112 176.162 176.519 -0.409 0.000 1.059 332 W CA -0.418 56.560 57.345 -0.612 0.000 1.226 332 W CB 1.756 30.285 29.460 -1.551 0.000 1.416 332 W HN 0.441 nan 8.180 nan 0.000 0.505 333 Q N 2.176 121.897 119.800 -0.132 0.000 2.356 333 Q HA 0.424 4.765 4.340 0.000 0.000 0.270 333 Q C -1.003 174.635 176.000 -0.603 0.000 1.058 333 Q CA -0.772 54.850 55.803 -0.301 0.000 0.802 333 Q CB 2.226 30.815 28.738 -0.248 0.000 1.303 333 Q HN 0.552 nan 8.270 nan 0.000 0.444 334 E N 1.719 121.534 120.200 -0.642 0.000 2.256 334 E HA 0.371 4.721 4.350 0.000 0.000 0.267 334 E C -1.246 174.918 176.600 -0.726 0.000 0.892 334 E CA -0.612 55.391 56.400 -0.661 0.000 0.775 334 E CB 0.927 30.427 29.700 -0.333 0.000 1.207 334 E HN 0.501 nan 8.360 nan 0.000 0.420 335 F N 1.353 121.279 119.950 -0.040 0.000 2.908 335 F HA 0.199 4.727 4.527 0.000 0.000 0.328 335 F C 1.203 176.933 175.800 -0.116 0.000 1.211 335 F CA -0.465 57.459 58.000 -0.127 0.000 1.291 335 F CB 0.321 39.373 39.000 0.086 0.000 0.962 335 F HN 0.683 nan 8.300 nan 0.000 0.505 336 E N 0.436 120.635 120.200 -0.002 0.000 2.070 336 E HA -0.243 4.107 4.350 0.000 0.000 0.197 336 E C 1.787 178.315 176.600 -0.121 0.000 1.004 336 E CA 1.365 57.755 56.400 -0.016 0.000 0.805 336 E CB -0.170 29.511 29.700 -0.033 0.000 0.744 336 E HN 0.388 nan 8.360 nan 0.000 0.451 337 K N 0.306 120.539 120.400 -0.277 0.000 2.002 337 K HA -0.182 4.138 4.320 0.000 0.000 0.209 337 K C 2.363 178.635 176.600 -0.546 0.000 1.048 337 K CA 2.134 58.136 56.287 -0.474 0.000 0.930 337 K CB -0.058 31.966 32.500 -0.793 0.000 0.714 337 K HN 0.158 nan 8.250 nan 0.000 0.438 338 Q N -1.046 118.389 119.800 -0.609 0.000 2.062 338 Q HA -0.048 4.292 4.340 0.000 0.000 0.196 338 Q C 0.054 175.718 176.000 -0.561 0.000 0.967 338 Q CA 1.177 56.554 55.803 -0.710 0.000 0.832 338 Q CB 0.268 28.433 28.738 -0.956 0.000 0.899 338 Q HN 0.336 nan 8.270 nan 0.000 0.442 339 Y N 0.017 120.352 120.300 0.058 0.000 2.658 339 Y HA 0.391 4.941 4.550 0.000 0.000 0.362 339 Y C -2.303 173.654 175.900 0.094 0.000 1.017 339 Y CA -2.879 55.265 58.100 0.073 0.000 1.134 339 Y CB 0.781 39.269 38.460 0.047 0.000 1.144 339 Y HN -0.007 nan 8.280 nan 0.000 0.655 340 P HA 0.101 nan 4.420 nan 0.000 0.271 340 P C -0.110 177.261 177.300 0.120 0.000 1.218 340 P CA 0.199 63.363 63.100 0.106 0.000 0.780 340 P CB 0.727 32.461 31.700 0.057 0.000 0.901 341 D N 0.210 120.670 120.400 0.099 0.000 3.018 341 D HA -0.265 4.376 4.640 0.000 0.000 0.224 341 D C 1.185 177.563 176.300 0.130 0.000 1.185 341 D CA 1.580 55.632 54.000 0.087 0.000 0.858 341 D CB -1.444 39.387 40.800 0.052 0.000 1.112 341 D HN 0.415 nan 8.370 nan 0.000 0.415 342 A N 0.557 123.495 122.820 0.197 0.000 1.872 342 A HA -0.056 4.264 4.320 0.000 0.000 0.214 342 A C 1.167 178.916 177.584 0.274 0.000 1.187 342 A CA 1.462 53.633 52.037 0.224 0.000 0.614 342 A CB 0.051 19.212 19.000 0.267 0.000 0.826 342 A HN 0.297 nan 8.150 nan 0.000 0.442 343 N N -1.812 117.117 118.700 0.381 0.000 2.814 343 N HA -0.111 4.629 4.740 0.000 0.000 0.247 343 N C -0.794 175.105 175.510 0.649 0.000 1.089 343 N CA 0.930 54.323 53.050 0.572 0.000 0.682 343 N CB -1.979 36.758 38.487 0.418 0.000 0.970 343 N HN 0.274 nan 8.380 nan 0.000 0.554 344 V N 0.444 120.689 119.914 0.551 0.000 2.547 344 V HA 0.633 4.754 4.120 0.000 0.000 0.299 344 V C 0.777 177.050 176.094 0.299 0.000 1.040 344 V CA -0.692 61.890 62.300 0.471 0.000 0.913 344 V CB 2.203 34.278 31.823 0.421 0.000 0.992 344 V HN 0.164 nan 8.190 nan 0.000 0.449 345 L N 3.989 125.349 121.223 0.228 0.000 2.341 345 L HA 0.665 5.006 4.340 0.000 0.000 0.267 345 L C -1.025 175.995 176.870 0.249 0.000 1.009 345 L CA -0.810 54.091 54.840 0.102 0.000 0.819 345 L CB 2.056 44.154 42.059 0.066 0.000 1.323 345 L HN 0.469 nan 8.230 nan 0.000 0.425 346 L N 2.313 123.609 121.223 0.122 0.000 2.343 346 L HA 0.630 4.971 4.340 0.000 0.000 0.278 346 L C -0.993 175.660 176.870 -0.363 0.000 0.996 346 L CA -0.311 54.452 54.840 -0.128 0.000 0.831 346 L CB 1.756 43.836 42.059 0.035 0.000 1.232 346 L HN 0.345 nan 8.230 nan 0.000 0.413 347 V N 4.804 124.317 119.914 -0.668 0.000 2.532 347 V HA 0.636 4.756 4.120 0.000 0.000 0.295 347 V C -0.180 175.599 176.094 -0.524 0.000 1.041 347 V CA -0.031 61.658 62.300 -1.017 0.000 0.926 347 V CB 2.000 32.815 31.823 -1.681 0.000 0.992 347 V HN 0.939 nan 8.190 nan 0.000 0.457 348 T N 6.387 120.687 114.554 -0.424 0.000 2.770 348 T HA 0.548 4.898 4.350 0.000 0.000 0.283 348 T C -0.371 174.174 174.700 -0.259 0.000 0.988 348 T CA -0.282 61.651 62.100 -0.279 0.000 0.957 348 T CB 1.221 69.998 68.868 -0.152 0.000 0.930 348 T HN 0.867 nan 8.240 nan 0.000 0.443 349 V N 1.500 121.273 119.914 -0.235 0.000 2.850 349 V HA 0.995 5.115 4.120 0.000 0.000 0.315 349 V C 0.123 176.145 176.094 -0.119 0.000 1.064 349 V CA -0.769 61.427 62.300 -0.174 0.000 0.979 349 V CB 1.588 33.256 31.823 -0.257 0.000 1.039 349 V HN 0.971 nan 8.190 nan 0.000 0.452 350 T N -1.457 113.106 114.554 0.015 0.000 2.864 350 T HA 0.634 4.984 4.350 0.000 0.000 0.289 350 T C 0.077 174.773 174.700 -0.007 0.000 1.082 350 T CA 0.521 62.622 62.100 0.001 0.000 1.009 350 T CB 1.644 70.535 68.868 0.038 0.000 1.234 350 T HN 1.477 nan 8.240 nan 0.000 0.526 351 D N 0.324 120.694 120.400 -0.051 0.000 3.771 351 D HA -0.292 4.348 4.640 0.000 0.000 0.145 351 D C 1.162 177.382 176.300 -0.133 0.000 0.892 351 D CA 2.139 56.087 54.000 -0.088 0.000 1.080 351 D CB -1.154 39.629 40.800 -0.028 0.000 0.498 351 D HN 0.914 nan 8.370 nan 0.000 0.499 352 E N -0.266 119.881 120.200 -0.088 0.000 2.051 352 E HA -0.213 4.137 4.350 0.000 0.000 0.192 352 E C 1.892 178.434 176.600 -0.096 0.000 0.991 352 E CA 1.421 57.759 56.400 -0.103 0.000 0.799 352 E CB -0.096 29.576 29.700 -0.047 0.000 0.748 352 E HN 0.360 nan 8.360 nan 0.000 0.449 353 E N 0.287 120.449 120.200 -0.063 0.000 2.051 353 E HA -0.147 4.203 4.350 0.000 0.000 0.192 353 E C 2.243 178.788 176.600 -0.092 0.000 0.991 353 E CA 0.837 57.190 56.400 -0.079 0.000 0.799 353 E CB -0.395 29.227 29.700 -0.130 0.000 0.748 353 E HN 0.109 nan 8.360 nan 0.000 0.449 354 S N 0.330 115.972 115.700 -0.096 0.000 2.374 354 S HA -0.188 4.282 4.470 0.000 0.000 0.227 354 S C 1.937 176.492 174.600 -0.075 0.000 1.037 354 S CA 1.330 59.490 58.200 -0.066 0.000 1.024 354 S CB -0.090 63.073 63.200 -0.062 0.000 0.861 354 S HN 0.225 nan 8.310 nan 0.000 0.456 355 R N 0.216 120.573 120.500 -0.239 0.000 2.115 355 R HA 0.062 4.403 4.340 0.000 0.000 0.226 355 R C 2.624 178.885 176.300 -0.064 0.000 1.100 355 R CA 0.874 56.728 56.100 -0.409 0.000 0.980 355 R CB -0.150 29.647 30.300 -0.838 0.000 0.875 355 R HN 0.283 nan 8.270 nan 0.000 0.445 356 R N 1.033 121.513 120.500 -0.033 0.000 2.064 356 R HA -0.091 4.249 4.340 0.000 0.000 0.228 356 R C 2.189 178.546 176.300 0.093 0.000 1.144 356 R CA 1.484 57.613 56.100 0.047 0.000 0.932 356 R CB -0.317 30.005 30.300 0.037 0.000 0.833 356 R HN 0.107 nan 8.270 nan 0.000 0.429 357 I N 1.276 121.889 120.570 0.072 0.000 2.113 357 I HA -0.340 3.830 4.170 0.000 0.000 0.242 357 I C 2.335 178.536 176.117 0.139 0.000 1.064 357 I CA 1.717 63.078 61.300 0.102 0.000 1.320 357 I CB -0.426 37.614 38.000 0.067 0.000 1.028 357 I HN 0.375 nan 8.210 nan 0.000 0.406 358 E N 0.288 120.593 120.200 0.175 0.000 2.147 358 E HA -0.300 4.050 4.350 0.000 0.000 0.199 358 E C 1.822 178.546 176.600 0.207 0.000 1.005 358 E CA 1.376 57.916 56.400 0.233 0.000 0.810 358 E CB -0.159 29.778 29.700 0.395 0.000 0.736 358 E HN 0.630 nan 8.360 nan 0.000 0.460 359 Q N 0.191 120.121 119.800 0.217 0.000 2.280 359 Q HA 0.016 4.357 4.340 0.000 0.000 0.202 359 Q C 0.295 176.370 176.000 0.124 0.000 0.903 359 Q CA -0.080 55.829 55.803 0.175 0.000 0.948 359 Q CB 0.372 29.238 28.738 0.213 0.000 1.058 359 Q HN 0.304 nan 8.270 nan 0.000 0.493 360 Q N -0.637 119.234 119.800 0.119 0.000 2.378 360 Q HA 0.524 4.864 4.340 0.000 0.000 0.276 360 Q C -0.352 175.703 176.000 0.092 0.000 1.083 360 Q CA -0.882 54.981 55.803 0.100 0.000 0.856 360 Q CB 1.187 29.989 28.738 0.106 0.000 1.383 360 Q HN 0.017 nan 8.270 nan 0.000 0.458 361 S N 0.169 115.916 115.700 0.079 0.000 2.584 361 S HA -0.003 4.467 4.470 0.000 0.000 0.270 361 S C 0.072 174.720 174.600 0.080 0.000 1.346 361 S CA 0.161 58.404 58.200 0.070 0.000 1.018 361 S CB 0.532 63.767 63.200 0.058 0.000 0.899 361 S HN 0.671 nan 8.310 nan 0.000 0.542 362 D N 0.895 121.340 120.400 0.075 0.000 2.190 362 D HA -0.081 4.559 4.640 0.000 0.000 0.200 362 D C 1.807 178.153 176.300 0.076 0.000 0.992 362 D CA 1.345 55.394 54.000 0.082 0.000 0.854 362 D CB -0.040 40.806 40.800 0.076 0.000 0.936 362 D HN 0.609 nan 8.370 nan 0.000 0.462 363 E N -0.044 120.195 120.200 0.065 0.000 2.112 363 E HA -0.118 4.232 4.350 0.000 0.000 0.190 363 E C 1.995 178.635 176.600 0.066 0.000 0.979 363 E CA 0.425 56.860 56.400 0.058 0.000 0.814 363 E CB -0.192 29.536 29.700 0.047 0.000 0.762 363 E HN 0.212 nan 8.360 nan 0.000 0.460 364 Q N 0.670 120.514 119.800 0.074 0.000 2.045 364 Q HA -0.131 4.209 4.340 0.000 0.000 0.206 364 Q C 2.080 178.142 176.000 0.104 0.000 0.991 364 Q CA 2.349 58.204 55.803 0.087 0.000 0.851 364 Q CB -0.730 28.064 28.738 0.092 0.000 0.911 364 Q HN 0.194 nan 8.270 nan 0.000 0.418 365 T N 0.310 114.932 114.554 0.113 0.000 2.674 365 T HA -0.186 4.164 4.350 0.000 0.000 0.265 365 T C 1.655 176.394 174.700 0.065 0.000 1.039 365 T CA 1.664 63.842 62.100 0.130 0.000 1.150 365 T CB -0.320 68.635 68.868 0.145 0.000 0.864 365 T HN 0.373 nan 8.240 nan 0.000 0.427 366 K N 1.054 121.490 120.400 0.059 0.000 2.074 366 K HA -0.137 4.184 4.320 0.000 0.000 0.209 366 K C 2.418 179.039 176.600 0.036 0.000 1.048 366 K CA 1.394 57.706 56.287 0.042 0.000 0.926 366 K CB -0.386 32.145 32.500 0.052 0.000 0.713 366 K HN 0.283 nan 8.250 nan 0.000 0.444 367 A N 1.378 124.229 122.820 0.051 0.000 1.851 367 A HA -0.246 4.074 4.320 0.000 0.000 0.216 367 A C 1.917 179.529 177.584 0.046 0.000 1.195 367 A CA 1.983 54.052 52.037 0.054 0.000 0.622 367 A CB -0.728 18.311 19.000 0.065 0.000 0.831 367 A HN 0.520 nan 8.150 nan 0.000 0.444 368 E N -0.401 119.836 120.200 0.061 0.000 2.086 368 E HA -0.232 4.118 4.350 0.000 0.000 0.200 368 E C 1.959 178.488 176.600 -0.119 0.000 1.012 368 E CA 1.617 58.061 56.400 0.073 0.000 0.812 368 E CB -0.409 29.410 29.700 0.198 0.000 0.743 368 E HN 0.721 nan 8.360 nan 0.000 0.453 369 I N 0.476 120.872 120.570 -0.291 0.000 2.315 369 I HA -0.243 3.927 4.170 0.000 0.000 0.248 369 I C 2.421 178.495 176.117 -0.073 0.000 1.117 369 I CA 0.644 61.711 61.300 -0.389 0.000 1.404 369 I CB -0.226 37.595 38.000 -0.298 0.000 1.071 369 I HN 0.176 nan 8.210 nan 0.000 0.419 370 M N 0.083 119.689 119.600 0.010 0.000 2.213 370 M HA -0.238 4.242 4.480 0.000 0.000 0.263 370 M C 2.246 178.550 176.300 0.006 0.000 1.062 370 M CA 1.683 57.019 55.300 0.059 0.000 1.105 370 M CB -1.107 31.538 32.600 0.074 0.000 1.385 370 M HN 0.328 nan 8.290 nan 0.000 0.417 371 Q N -0.226 119.577 119.800 0.005 0.000 2.049 371 Q HA -0.099 4.241 4.340 0.000 0.000 0.198 371 Q C 2.029 178.024 176.000 -0.008 0.000 0.971 371 Q CA 1.325 57.139 55.803 0.019 0.000 0.833 371 Q CB 0.177 28.957 28.738 0.070 0.000 0.896 371 Q HN 0.280 nan 8.270 nan 0.000 0.434 372 V N 0.970 120.861 119.914 -0.039 0.000 2.332 372 V HA -0.279 3.841 4.120 0.000 0.000 0.248 372 V C 2.237 178.150 176.094 -0.302 0.000 1.055 372 V CA 1.570 63.767 62.300 -0.172 0.000 1.038 372 V CB -0.421 31.266 31.823 -0.226 0.000 0.651 372 V HN 0.412 nan 8.190 nan 0.000 0.450 373 L N -1.024 120.083 121.223 -0.193 0.000 2.156 373 L HA -0.088 4.252 4.340 0.000 0.000 0.208 373 L C 2.691 179.483 176.870 -0.132 0.000 1.095 373 L CA 1.293 56.024 54.840 -0.181 0.000 0.770 373 L CB -0.306 41.721 42.059 -0.053 0.000 0.914 373 L HN 0.198 nan 8.230 nan 0.000 0.439 374 R N -0.414 120.010 120.500 -0.127 0.000 2.119 374 R HA -0.081 4.259 4.340 0.000 0.000 0.222 374 R C 2.220 178.474 176.300 -0.078 0.000 1.088 374 R CA 0.797 56.831 56.100 -0.110 0.000 0.984 374 R CB 0.062 30.311 30.300 -0.086 0.000 0.884 374 R HN 0.217 nan 8.270 nan 0.000 0.447 375 K N 0.029 120.387 120.400 -0.071 0.000 2.097 375 K HA -0.109 4.211 4.320 0.000 0.000 0.206 375 K C 1.974 178.517 176.600 -0.096 0.000 1.049 375 K CA 1.377 57.644 56.287 -0.035 0.000 0.933 375 K CB -0.008 32.523 32.500 0.051 0.000 0.717 375 K HN 0.166 nan 8.250 nan 0.000 0.442 376 M N -0.616 118.832 119.600 -0.254 0.000 2.254 376 M HA -0.073 4.407 4.480 0.000 0.000 0.265 376 M C 0.007 175.852 176.300 -0.758 0.000 1.066 376 M CA 1.346 56.315 55.300 -0.551 0.000 1.123 376 M CB 0.370 32.416 32.600 -0.924 0.000 1.388 376 M HN -0.046 nan 8.290 nan 0.000 0.425 377 F N -0.613 119.221 119.950 -0.193 0.000 2.523 377 F HA 0.297 4.824 4.527 0.000 0.000 0.322 377 F C -1.819 173.907 175.800 -0.125 0.000 1.361 377 F CA -1.946 55.968 58.000 -0.144 0.000 1.151 377 F CB 0.076 38.974 39.000 -0.171 0.000 1.391 377 F HN -0.055 nan 8.300 nan 0.000 0.566 378 P HA -0.016 nan 4.420 nan 0.000 0.220 378 P C 1.841 179.146 177.300 0.009 0.000 1.152 378 P CA 1.069 64.168 63.100 -0.001 0.000 0.812 378 P CB 0.332 32.026 31.700 -0.011 0.000 0.792 379 G N 1.731 110.551 108.800 0.033 0.000 2.679 379 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 379 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 379 G C 0.927 175.838 174.900 0.018 0.000 1.267 379 G CA 0.786 45.905 45.100 0.032 0.000 0.799 379 G HN 0.211 nan 8.290 nan 0.000 0.606 380 K N 1.023 121.446 120.400 0.038 0.000 2.188 380 K HA 0.082 4.402 4.320 0.000 0.000 0.246 380 K C -0.445 176.106 176.600 -0.082 0.000 1.026 380 K CA -0.095 56.177 56.287 -0.025 0.000 0.871 380 K CB 0.339 32.815 32.500 -0.040 0.000 1.042 380 K HN 0.390 nan 8.250 nan 0.000 0.509 381 D N 0.952 121.286 120.400 -0.109 0.000 2.381 381 D HA 0.192 4.833 4.640 0.000 0.000 0.235 381 D C -1.281 174.896 176.300 -0.205 0.000 1.068 381 D CA -0.489 53.437 54.000 -0.123 0.000 0.832 381 D CB 1.108 41.865 40.800 -0.072 0.000 1.101 381 D HN -0.042 nan 8.370 nan 0.000 0.515 382 V N 6.914 126.647 119.914 -0.302 0.000 2.293 382 V HA 0.281 4.401 4.120 0.000 0.000 0.275 382 V C -1.945 173.978 176.094 -0.284 0.000 1.021 382 V CA -1.323 60.606 62.300 -0.618 0.000 0.815 382 V CB 1.213 32.499 31.823 -0.896 0.000 1.025 382 V HN 0.498 nan 8.190 nan 0.000 0.448 383 P HA 0.177 nan 4.420 nan 0.000 0.276 383 P C -0.281 177.202 177.300 0.304 0.000 1.230 383 P CA -0.353 62.824 63.100 0.129 0.000 0.776 383 P CB 0.781 32.605 31.700 0.207 0.000 0.888 384 D N 0.990 121.522 120.400 0.221 0.000 2.601 384 D HA 0.040 4.680 4.640 0.000 0.000 0.229 384 D C 0.543 177.024 176.300 0.303 0.000 1.140 384 D CA 0.832 54.977 54.000 0.241 0.000 0.862 384 D CB 0.321 41.198 40.800 0.128 0.000 1.192 384 D HN 0.387 nan 8.370 nan 0.000 0.480 385 A N 2.053 124.964 122.820 0.152 0.000 2.409 385 A HA 0.267 4.588 4.320 0.000 0.000 0.267 385 A C 1.364 178.899 177.584 -0.081 0.000 1.127 385 A CA -0.260 51.639 52.037 -0.229 0.000 0.795 385 A CB 0.215 18.917 19.000 -0.497 0.000 1.061 385 A HN 0.575 nan 8.150 nan 0.000 0.502 386 T N 0.448 114.957 114.554 -0.076 0.000 2.985 386 T HA 0.046 4.396 4.350 0.000 0.000 0.266 386 T C 0.131 174.786 174.700 -0.075 0.000 1.076 386 T CA 1.100 63.176 62.100 -0.040 0.000 1.135 386 T CB -0.130 68.728 68.868 -0.017 0.000 0.890 386 T HN 0.669 nan 8.240 nan 0.000 0.480 387 D N 0.458 120.798 120.400 -0.101 0.000 2.863 387 D HA 0.480 5.121 4.640 0.000 0.000 0.245 387 D C -1.259 175.094 176.300 0.088 0.000 1.211 387 D CA -0.517 53.419 54.000 -0.107 0.000 0.888 387 D CB 2.620 43.177 40.800 -0.405 0.000 1.483 387 D HN 0.201 nan 8.370 nan 0.000 0.533 388 I N 1.800 122.446 120.570 0.126 0.000 2.525 388 I HA 0.479 4.649 4.170 0.000 0.000 0.301 388 I C -1.546 174.783 176.117 0.353 0.000 0.992 388 I CA -0.872 60.574 61.300 0.244 0.000 1.162 388 I CB 1.618 39.697 38.000 0.130 0.000 1.332 388 I HN 0.232 nan 8.210 nan 0.000 0.458 389 L N 7.892 129.387 121.223 0.454 0.000 2.409 389 L HA 0.614 4.954 4.340 0.000 0.000 0.272 389 L C -1.695 175.329 176.870 0.258 0.000 0.980 389 L CA -0.315 54.761 54.840 0.393 0.000 0.826 389 L CB 1.899 44.327 42.059 0.616 0.000 1.268 389 L HN 0.329 nan 8.230 nan 0.000 0.407 390 V N 5.754 125.783 119.914 0.192 0.000 2.327 390 V HA 0.419 4.539 4.120 0.000 0.000 0.272 390 V C -2.229 173.948 176.094 0.139 0.000 1.019 390 V CA -1.094 61.299 62.300 0.155 0.000 0.814 390 V CB 1.035 32.938 31.823 0.133 0.000 1.040 390 V HN 0.715 nan 8.190 nan 0.000 0.440 391 P HA 0.285 nan 4.420 nan 0.000 0.270 391 P C -0.075 177.274 177.300 0.083 0.000 1.242 391 P CA -0.038 63.106 63.100 0.074 0.000 0.768 391 P CB 0.308 32.112 31.700 0.172 0.000 0.820 392 R N 2.724 123.225 120.500 0.002 0.000 3.956 392 R HA 0.152 4.492 4.340 0.000 0.000 0.237 392 R C 0.369 176.756 176.300 0.145 0.000 1.552 392 R CA -0.064 56.103 56.100 0.113 0.000 1.529 392 R CB -0.245 30.108 30.300 0.087 0.000 1.376 392 R HN 0.609 nan 8.270 nan 0.000 0.733 393 W N -0.218 121.225 121.300 0.239 0.000 2.388 393 W HA -0.164 4.496 4.660 0.000 0.000 0.294 393 W C 1.828 178.521 176.519 0.289 0.000 1.212 393 W CA 0.247 57.747 57.345 0.258 0.000 1.271 393 W CB -0.078 29.516 29.460 0.222 0.000 1.126 393 W HN 0.564 nan 8.180 nan 0.000 0.535 394 W N 0.877 122.373 121.300 0.327 0.000 2.358 394 W HA -0.185 4.476 4.660 0.000 0.000 0.303 394 W C 2.112 178.719 176.519 0.147 0.000 1.208 394 W CA 2.131 59.597 57.345 0.202 0.000 1.274 394 W CB -0.794 28.749 29.460 0.139 0.000 1.138 394 W HN -0.360 nan 8.180 nan 0.000 0.515 395 S N -0.097 115.583 115.700 -0.034 0.000 2.555 395 S HA -0.104 4.366 4.470 0.000 0.000 0.230 395 S C 0.182 174.684 174.600 -0.164 0.000 0.978 395 S CA 0.507 58.543 58.200 -0.274 0.000 0.934 395 S CB -0.489 62.628 63.200 -0.140 0.000 0.766 395 S HN 0.160 nan 8.310 nan 0.000 0.533 396 D N 2.086 122.478 120.400 -0.014 0.000 2.325 396 D HA 0.048 4.688 4.640 0.000 0.000 0.251 396 D C 1.196 177.431 176.300 -0.108 0.000 1.196 396 D CA -0.395 53.584 54.000 -0.035 0.000 0.866 396 D CB 0.691 41.585 40.800 0.158 0.000 1.101 396 D HN 0.298 nan 8.370 nan 0.000 0.476 397 R N 3.246 123.550 120.500 -0.327 0.000 2.339 397 R HA -0.022 4.318 4.340 0.000 0.000 0.199 397 R C 0.855 176.990 176.300 -0.275 0.000 1.018 397 R CA 0.749 56.651 56.100 -0.330 0.000 1.036 397 R CB -0.290 29.758 30.300 -0.421 0.000 0.899 397 R HN 0.391 nan 8.270 nan 0.000 0.473 398 F N -1.003 118.788 119.950 -0.264 0.000 2.727 398 F HA 0.234 4.761 4.527 0.000 0.000 0.302 398 F C 0.756 176.148 175.800 -0.680 0.000 1.097 398 F CA -0.174 57.507 58.000 -0.531 0.000 1.330 398 F CB 0.443 38.976 39.000 -0.778 0.000 1.084 398 F HN -0.052 nan 8.300 nan 0.000 0.578 399 Y N -1.845 118.627 120.300 0.287 0.000 3.087 399 Y HA 0.151 4.701 4.550 0.000 0.000 0.227 399 Y C 0.771 176.797 175.900 0.210 0.000 1.015 399 Y CA -0.750 57.522 58.100 0.287 0.000 1.399 399 Y CB 0.330 39.084 38.460 0.490 0.000 1.483 399 Y HN -0.426 nan 8.280 nan 0.000 0.420 400 K N 0.946 121.556 120.400 0.350 0.000 3.230 400 K HA -0.108 4.213 4.320 0.000 0.000 0.285 400 K C -0.027 176.800 176.600 0.378 0.000 1.196 400 K CA 0.993 57.435 56.287 0.259 0.000 0.838 400 K CB -1.754 30.839 32.500 0.155 0.000 1.262 400 K HN 0.847 nan 8.250 nan 0.000 0.492 401 G N -2.270 106.774 108.800 0.407 0.000 2.362 401 G HA2 0.180 4.140 3.960 0.000 0.000 0.288 401 G HA3 0.180 4.140 3.960 0.000 0.000 0.288 401 G C 0.398 175.356 174.900 0.097 0.000 1.305 401 G CA 0.580 45.834 45.100 0.258 0.000 0.910 401 G HN 0.225 nan 8.290 nan 0.000 0.518 402 T N -2.610 111.845 114.554 -0.165 0.000 3.098 402 T HA 0.627 4.978 4.350 0.000 0.000 0.246 402 T C 0.489 175.054 174.700 -0.225 0.000 0.983 402 T CA 1.453 63.324 62.100 -0.382 0.000 1.094 402 T CB 0.136 68.729 68.868 -0.458 0.000 1.035 402 T HN 1.659 nan 8.240 nan 0.000 0.456 403 F N 1.099 120.995 119.950 -0.091 0.000 2.713 403 F HA 0.768 5.295 4.527 0.000 0.000 0.311 403 F C -0.231 175.587 175.800 0.029 0.000 1.141 403 F CA -1.631 56.328 58.000 -0.069 0.000 0.939 403 F CB 0.833 39.727 39.000 -0.175 0.000 1.325 403 F HN 0.148 nan 8.300 nan 0.000 0.453 404 S N 1.062 116.950 115.700 0.313 0.000 2.584 404 S HA 0.479 4.949 4.470 0.000 0.000 0.270 404 S C -0.662 174.173 174.600 0.392 0.000 1.346 404 S CA -0.209 58.203 58.200 0.352 0.000 1.018 404 S CB 1.074 64.551 63.200 0.462 0.000 0.899 404 S HN 0.906 nan 8.310 nan 0.000 0.542 405 N N 0.146 119.013 118.700 0.278 0.000 2.264 405 N HA 0.249 4.989 4.740 0.000 0.000 0.288 405 N C -1.966 173.420 175.510 -0.206 0.000 1.094 405 N CA -0.613 52.533 53.050 0.160 0.000 0.817 405 N CB 1.111 39.677 38.487 0.132 0.000 1.604 405 N HN 0.804 nan 8.380 nan 0.000 0.473 406 W N 6.098 127.182 121.300 -0.359 0.000 2.481 406 W HA 0.416 5.076 4.660 0.000 0.000 0.320 406 W C -2.595 173.612 176.519 -0.520 0.000 1.209 406 W CA -1.741 55.217 57.345 -0.646 0.000 1.400 406 W CB 0.326 29.619 29.460 -0.279 0.000 1.361 406 W HN 0.450 nan 8.180 nan 0.000 0.456 407 P HA 0.103 nan 4.420 nan 0.000 0.285 407 P C -0.665 176.650 177.300 0.024 0.000 1.269 407 P CA -0.587 62.428 63.100 -0.142 0.000 0.844 407 P CB 1.809 33.364 31.700 -0.241 0.000 1.094 408 V N 1.560 121.467 119.914 -0.012 0.000 2.521 408 V HA 0.414 4.534 4.120 0.000 0.000 0.286 408 V C 1.190 177.302 176.094 0.031 0.000 1.034 408 V CA 1.866 64.172 62.300 0.011 0.000 1.045 408 V CB -0.708 31.098 31.823 -0.029 0.000 0.974 408 V HN 0.987 nan 8.190 nan 0.000 0.480 409 G N 4.339 113.184 108.800 0.075 0.000 2.192 409 G HA2 -0.153 3.807 3.960 0.000 0.000 0.193 409 G HA3 -0.153 3.807 3.960 0.000 0.000 0.193 409 G C -0.191 174.785 174.900 0.127 0.000 0.999 409 G CA -0.091 45.057 45.100 0.080 0.000 0.659 409 G HN 1.190 nan 8.290 nan 0.000 0.503 410 V N 3.655 123.687 119.914 0.197 0.000 2.328 410 V HA 0.478 4.599 4.120 0.000 0.000 0.278 410 V C 0.376 176.763 176.094 0.489 0.000 1.021 410 V CA -0.776 61.679 62.300 0.258 0.000 0.838 410 V CB 1.144 33.008 31.823 0.068 0.000 0.999 410 V HN 0.580 nan 8.190 nan 0.000 0.447 411 N N 4.746 123.671 118.700 0.375 0.000 2.434 411 N HA 0.182 4.923 4.740 0.000 0.000 0.266 411 N C 0.926 176.747 175.510 0.519 0.000 1.223 411 N CA -0.752 52.538 53.050 0.402 0.000 0.972 411 N CB 1.210 39.854 38.487 0.262 0.000 1.207 411 N HN 0.417 nan 8.380 nan 0.000 0.525 412 R N -0.525 120.261 120.500 0.477 0.000 2.241 412 R HA -0.155 4.185 4.340 0.000 0.000 0.224 412 R C 1.595 178.123 176.300 0.381 0.000 1.101 412 R CA 0.994 57.401 56.100 0.511 0.000 0.995 412 R CB -0.643 29.850 30.300 0.321 0.000 0.870 412 R HN 0.694 nan 8.270 nan 0.000 0.463 413 Y N 1.639 122.064 120.300 0.209 0.000 2.070 413 Y HA -0.234 4.316 4.550 0.000 0.000 0.279 413 Y C 1.899 177.869 175.900 0.117 0.000 1.134 413 Y CA 2.295 60.471 58.100 0.127 0.000 1.113 413 Y CB -0.319 38.190 38.460 0.081 0.000 0.981 413 Y HN 0.301 nan 8.280 nan 0.000 0.487 414 E N -1.526 118.753 120.200 0.132 0.000 2.265 414 E HA -0.287 4.063 4.350 0.000 0.000 0.196 414 E C 1.991 178.570 176.600 -0.036 0.000 0.996 414 E CA 1.288 57.701 56.400 0.021 0.000 0.832 414 E CB -1.040 28.756 29.700 0.160 0.000 0.756 414 E HN 0.652 nan 8.360 nan 0.000 0.491 415 Y N 2.615 122.846 120.300 -0.113 0.000 2.097 415 Y HA -0.253 4.297 4.550 0.000 0.000 0.282 415 Y C 1.978 177.721 175.900 -0.262 0.000 1.152 415 Y CA 2.190 60.113 58.100 -0.295 0.000 1.136 415 Y CB -0.408 37.833 38.460 -0.365 0.000 0.975 415 Y HN 0.061 nan 8.280 nan 0.000 0.498 416 D N -0.765 119.501 120.400 -0.224 0.000 2.178 416 D HA -0.170 4.470 4.640 0.000 0.000 0.202 416 D C 1.991 178.130 176.300 -0.268 0.000 0.974 416 D CA 1.274 55.117 54.000 -0.262 0.000 0.841 416 D CB -0.156 40.583 40.800 -0.103 0.000 0.953 416 D HN 0.515 nan 8.370 nan 0.000 0.478 417 Q N -0.171 119.437 119.800 -0.321 0.000 2.112 417 Q HA -0.177 4.163 4.340 0.000 0.000 0.206 417 Q C 2.257 178.181 176.000 -0.126 0.000 0.987 417 Q CA 0.769 56.484 55.803 -0.147 0.000 0.858 417 Q CB -0.274 28.415 28.738 -0.083 0.000 0.905 417 Q HN 0.391 nan 8.270 nan 0.000 0.420 418 L N 0.897 121.921 121.223 -0.333 0.000 2.127 418 L HA -0.213 4.128 4.340 0.000 0.000 0.211 418 L C 2.421 178.974 176.870 -0.530 0.000 1.089 418 L CA 1.879 56.430 54.840 -0.483 0.000 0.757 418 L CB -0.241 41.447 42.059 -0.618 0.000 0.899 418 L HN 0.233 nan 8.230 nan 0.000 0.434 419 R N 0.130 120.349 120.500 -0.468 0.000 2.254 419 R HA 0.179 4.519 4.340 0.000 0.000 0.195 419 R C 0.838 176.965 176.300 -0.288 0.000 0.957 419 R CA 0.610 56.491 56.100 -0.365 0.000 1.024 419 R CB -0.164 29.916 30.300 -0.366 0.000 0.952 419 R HN 0.193 nan 8.270 nan 0.000 0.484 420 A N 3.135 125.791 122.820 -0.274 0.000 2.511 420 A HA 0.265 4.585 4.320 0.000 0.000 0.242 420 A C -2.154 175.260 177.584 -0.283 0.000 1.069 420 A CA -1.230 50.567 52.037 -0.401 0.000 0.763 420 A CB -0.181 18.794 19.000 -0.043 0.000 1.001 420 A HN 0.327 nan 8.150 nan 0.000 0.498 421 P HA 0.224 nan 4.420 nan 0.000 0.271 421 P C -0.743 176.467 177.300 -0.151 0.000 1.218 421 P CA -0.049 62.767 63.100 -0.473 0.000 0.780 421 P CB 0.920 31.961 31.700 -1.098 0.000 0.901 422 V N 3.247 123.110 119.914 -0.085 0.000 2.326 422 V HA 0.488 4.608 4.120 0.000 0.000 0.281 422 V C 1.117 177.203 176.094 -0.013 0.000 1.015 422 V CA 0.768 63.067 62.300 -0.001 0.000 0.823 422 V CB 0.153 31.914 31.823 -0.102 0.000 1.009 422 V HN 1.078 nan 8.190 nan 0.000 0.436 423 G N 6.183 115.047 108.800 0.108 0.000 2.556 423 G HA2 -0.319 3.642 3.960 0.000 0.000 0.283 423 G HA3 -0.319 3.642 3.960 0.000 0.000 0.283 423 G C 0.643 175.649 174.900 0.177 0.000 1.177 423 G CA 0.637 45.856 45.100 0.198 0.000 0.978 423 G HN 0.664 nan 8.290 nan 0.000 0.554 424 R N -0.248 120.413 120.500 0.270 0.000 2.335 424 R HA 0.358 4.698 4.340 0.000 0.000 0.223 424 R C 0.233 176.750 176.300 0.362 0.000 0.940 424 R CA 0.180 56.534 56.100 0.423 0.000 1.086 424 R CB 0.274 30.720 30.300 0.242 0.000 1.073 424 R HN 0.248 nan 8.270 nan 0.000 0.504 425 V N 1.532 121.472 119.914 0.044 0.000 2.383 425 V HA 0.216 4.336 4.120 0.000 0.000 0.275 425 V C -0.646 175.228 176.094 -0.367 0.000 1.036 425 V CA -0.493 61.702 62.300 -0.174 0.000 0.889 425 V CB 0.462 32.036 31.823 -0.414 0.000 0.985 425 V HN 0.059 nan 8.190 nan 0.000 0.459 426 Y N 4.062 124.086 120.300 -0.461 0.000 2.485 426 Y HA 0.725 5.275 4.550 0.000 0.000 0.345 426 Y C -0.376 175.173 175.900 -0.584 0.000 0.998 426 Y CA -0.959 56.911 58.100 -0.384 0.000 1.059 426 Y CB 2.061 40.388 38.460 -0.222 0.000 1.234 426 Y HN 0.508 nan 8.280 nan 0.000 0.461 427 F N 0.359 120.291 119.950 -0.030 0.000 2.532 427 F HA 0.698 5.225 4.527 0.000 0.000 0.321 427 F C 0.343 176.085 175.800 -0.098 0.000 1.089 427 F CA -0.630 57.331 58.000 -0.065 0.000 0.926 427 F CB 2.363 41.288 39.000 -0.124 0.000 1.168 427 F HN 0.346 nan 8.300 nan 0.000 0.459 428 T N 0.226 114.814 114.554 0.057 0.000 2.696 428 T HA 0.843 5.193 4.350 0.000 0.000 0.291 428 T C -0.674 173.909 174.700 -0.195 0.000 1.095 428 T CA -0.012 62.043 62.100 -0.076 0.000 1.026 428 T CB 1.596 70.431 68.868 -0.055 0.000 1.390 428 T HN 1.351 nan 8.240 nan 0.000 0.513 429 G N 0.961 109.625 108.800 -0.226 0.000 2.392 429 G HA2 0.100 4.060 3.960 0.000 0.000 0.677 429 G HA3 0.100 4.060 3.960 0.000 0.000 0.677 429 G C 0.134 174.868 174.900 -0.277 0.000 1.334 429 G CA 0.622 45.578 45.100 -0.241 0.000 0.961 429 G HN 0.929 nan 8.290 nan 0.000 0.616 430 E N -0.459 119.709 120.200 -0.053 0.000 2.209 430 E HA -0.194 4.156 4.350 0.000 0.000 0.196 430 E C 1.692 178.316 176.600 0.040 0.000 0.993 430 E CA 2.555 58.976 56.400 0.035 0.000 0.819 430 E CB -0.689 29.065 29.700 0.090 0.000 0.745 430 E HN 1.061 nan 8.360 nan 0.000 0.477 431 H N -0.530 118.552 119.070 0.020 0.000 2.546 431 H HA 0.125 4.682 4.556 0.000 0.000 0.277 431 H C 1.464 176.677 175.328 -0.192 0.000 1.004 431 H CA 1.296 57.300 56.048 -0.074 0.000 1.231 431 H CB -0.325 29.345 29.762 -0.153 0.000 1.382 431 H HN 0.314 nan 8.280 nan 0.000 0.580 432 T N -2.565 111.718 114.554 -0.451 0.000 3.069 432 T HA 0.074 4.424 4.350 0.000 0.000 0.252 432 T C 0.956 175.583 174.700 -0.121 0.000 1.053 432 T CA -0.046 61.818 62.100 -0.393 0.000 0.964 432 T CB -0.209 68.429 68.868 -0.382 0.000 1.005 432 T HN 0.288 nan 8.240 nan 0.000 0.532 433 S N 1.211 116.936 115.700 0.042 0.000 2.515 433 S HA 0.071 4.541 4.470 0.000 0.000 0.285 433 S C 1.260 176.012 174.600 0.253 0.000 1.265 433 S CA -0.309 57.995 58.200 0.173 0.000 1.079 433 S CB 0.514 63.864 63.200 0.249 0.000 0.877 433 S HN 0.510 nan 8.310 nan 0.000 0.493 434 E N 2.895 123.194 120.200 0.164 0.000 2.085 434 E HA -0.163 4.187 4.350 0.000 0.000 0.194 434 E C 0.719 177.133 176.600 -0.309 0.000 0.994 434 E CA 1.359 57.772 56.400 0.021 0.000 0.801 434 E CB -0.004 29.662 29.700 -0.057 0.000 0.743 434 E HN 0.813 nan 8.360 nan 0.000 0.453 435 H N -3.151 115.858 119.070 -0.101 0.000 3.398 435 H HA 0.107 4.663 4.556 0.000 0.000 0.260 435 H C -0.330 174.656 175.328 -0.571 0.000 1.189 435 H CA 0.123 55.914 56.048 -0.428 0.000 1.145 435 H CB 0.716 30.020 29.762 -0.764 0.000 1.599 435 H HN 0.160 nan 8.280 nan 0.000 0.615 436 Y N 1.233 121.710 120.300 0.295 0.000 2.685 436 Y HA 0.089 4.639 4.550 0.000 0.000 0.257 436 Y C 0.425 176.519 175.900 0.323 0.000 1.053 436 Y CA -1.116 57.166 58.100 0.303 0.000 1.106 436 Y CB -0.151 38.500 38.460 0.317 0.000 1.193 436 Y HN 0.122 nan 8.280 nan 0.000 0.602 437 N N 0.297 119.228 118.700 0.384 0.000 2.353 437 N HA 0.245 4.985 4.740 0.000 0.000 0.248 437 N C 1.280 176.945 175.510 0.258 0.000 1.240 437 N CA 1.176 54.421 53.050 0.325 0.000 0.862 437 N CB 0.586 39.286 38.487 0.355 0.000 1.086 437 N HN 0.491 nan 8.380 nan 0.000 0.453 438 G N -0.373 108.485 108.800 0.097 0.000 2.136 438 G HA2 -0.269 3.691 3.960 0.000 0.000 0.242 438 G HA3 -0.269 3.691 3.960 0.000 0.000 0.242 438 G C -0.827 173.597 174.900 -0.793 0.000 0.989 438 G CA 0.363 45.331 45.100 -0.220 0.000 0.682 438 G HN 0.679 nan 8.290 nan 0.000 0.522 439 Y N -1.969 118.229 120.300 -0.171 0.000 2.545 439 Y HA 0.499 5.049 4.550 0.000 0.000 0.348 439 Y C 1.522 177.252 175.900 -0.284 0.000 1.002 439 Y CA -0.572 57.316 58.100 -0.353 0.000 1.039 439 Y CB 1.728 39.736 38.460 -0.753 0.000 1.271 439 Y HN -0.064 nan 8.280 nan 0.000 0.467 440 V N 1.730 121.620 119.914 -0.040 0.000 2.250 440 V HA -0.385 3.735 4.120 0.000 0.000 0.250 440 V C 2.392 178.511 176.094 0.043 0.000 1.060 440 V CA 2.729 65.024 62.300 -0.008 0.000 1.030 440 V CB -0.759 31.074 31.823 0.017 0.000 0.643 440 V HN 0.966 nan 8.190 nan 0.000 0.445 441 H N 0.178 119.322 119.070 0.122 0.000 2.353 441 H HA -0.056 4.500 4.556 0.000 0.000 0.300 441 H C 2.421 177.874 175.328 0.208 0.000 1.090 441 H CA 1.655 57.756 56.048 0.088 0.000 1.327 441 H CB -1.139 28.552 29.762 -0.119 0.000 1.383 441 H HN 0.390 nan 8.280 nan 0.000 0.508 442 G N 1.549 110.333 108.800 -0.027 0.000 2.586 442 G HA2 -0.356 3.604 3.960 0.000 0.000 0.218 442 G HA3 -0.356 3.604 3.960 0.000 0.000 0.218 442 G C 2.103 177.110 174.900 0.179 0.000 1.216 442 G CA 2.173 47.406 45.100 0.222 0.000 0.786 442 G HN 0.670 nan 8.290 nan 0.000 0.583 443 A N 0.022 122.908 122.820 0.109 0.000 1.873 443 A HA -0.150 4.170 4.320 0.000 0.000 0.218 443 A C 2.263 179.916 177.584 0.115 0.000 1.193 443 A CA 2.110 54.197 52.037 0.083 0.000 0.629 443 A CB -0.948 18.087 19.000 0.059 0.000 0.826 443 A HN 0.617 nan 8.150 nan 0.000 0.447 444 Y N 0.531 120.854 120.300 0.038 0.000 2.081 444 Y HA -0.229 4.321 4.550 0.000 0.000 0.280 444 Y C 1.989 177.924 175.900 0.059 0.000 1.163 444 Y CA 2.182 60.307 58.100 0.042 0.000 1.135 444 Y CB -0.410 38.080 38.460 0.051 0.000 0.970 444 Y HN 0.224 nan 8.280 nan 0.000 0.498 445 L N -0.185 121.077 121.223 0.065 0.000 2.056 445 L HA -0.188 4.152 4.340 0.000 0.000 0.207 445 L C 2.815 179.673 176.870 -0.021 0.000 1.078 445 L CA 1.373 56.206 54.840 -0.012 0.000 0.749 445 L CB -0.984 41.228 42.059 0.255 0.000 0.901 445 L HN 0.385 nan 8.230 nan 0.000 0.433 446 S N 0.358 116.082 115.700 0.039 0.000 2.374 446 S HA -0.203 4.267 4.470 0.000 0.000 0.227 446 S C 2.141 176.703 174.600 -0.063 0.000 1.037 446 S CA 1.238 59.437 58.200 -0.002 0.000 1.024 446 S CB -1.411 61.777 63.200 -0.020 0.000 0.861 446 S HN 0.445 nan 8.310 nan 0.000 0.456 447 G N 2.473 111.212 108.800 -0.101 0.000 2.631 447 G HA2 -0.240 3.720 3.960 0.000 0.000 0.219 447 G HA3 -0.240 3.720 3.960 0.000 0.000 0.219 447 G C 1.389 176.194 174.900 -0.159 0.000 1.214 447 G CA 1.390 46.408 45.100 -0.137 0.000 0.785 447 G HN 0.599 nan 8.290 nan 0.000 0.596 448 I N 1.258 121.697 120.570 -0.219 0.000 2.087 448 I HA -0.243 3.928 4.170 0.000 0.000 0.240 448 I C 2.471 178.535 176.117 -0.089 0.000 1.054 448 I CA 1.834 63.031 61.300 -0.172 0.000 1.311 448 I CB -0.399 37.483 38.000 -0.196 0.000 1.024 448 I HN 0.086 nan 8.210 nan 0.000 0.402 449 D N 0.540 120.911 120.400 -0.048 0.000 2.123 449 D HA -0.135 4.506 4.640 0.000 0.000 0.196 449 D C 2.420 178.720 176.300 0.001 0.000 0.992 449 D CA 1.623 55.624 54.000 0.002 0.000 0.833 449 D CB -0.330 40.494 40.800 0.041 0.000 0.954 449 D HN 0.269 nan 8.370 nan 0.000 0.455 450 S N 0.600 116.288 115.700 -0.021 0.000 2.368 450 S HA -0.074 4.396 4.470 0.000 0.000 0.224 450 S C 2.159 176.732 174.600 -0.045 0.000 1.029 450 S CA 0.935 59.132 58.200 -0.005 0.000 0.988 450 S CB -0.288 62.901 63.200 -0.017 0.000 0.838 450 S HN 0.370 nan 8.310 nan 0.000 0.462 451 A N 1.804 124.568 122.820 -0.094 0.000 1.892 451 A HA -0.231 4.090 4.320 0.000 0.000 0.218 451 A C 2.038 179.540 177.584 -0.137 0.000 1.188 451 A CA 1.830 53.781 52.037 -0.143 0.000 0.631 451 A CB -0.644 18.266 19.000 -0.150 0.000 0.822 451 A HN 0.561 nan 8.150 nan 0.000 0.447 452 E N -0.699 119.453 120.200 -0.081 0.000 2.107 452 E HA -0.082 4.269 4.350 0.000 0.000 0.191 452 E C 1.867 178.452 176.600 -0.025 0.000 0.982 452 E CA 0.918 57.285 56.400 -0.055 0.000 0.809 452 E CB -0.248 29.436 29.700 -0.027 0.000 0.756 452 E HN 0.711 nan 8.360 nan 0.000 0.459 453 I N 0.813 121.400 120.570 0.029 0.000 2.208 453 I HA -0.279 3.891 4.170 0.000 0.000 0.245 453 I C 2.393 178.534 176.117 0.041 0.000 1.097 453 I CA 0.741 62.114 61.300 0.121 0.000 1.363 453 I CB -0.135 38.012 38.000 0.245 0.000 1.051 453 I HN 0.146 nan 8.210 nan 0.000 0.413 454 L N 0.652 121.760 121.223 -0.193 0.000 2.072 454 L HA -0.109 4.232 4.340 0.000 0.000 0.205 454 L C 2.292 178.913 176.870 -0.415 0.000 1.079 454 L CA 1.689 56.162 54.840 -0.612 0.000 0.752 454 L CB -0.343 41.149 42.059 -0.945 0.000 0.906 454 L HN 0.092 nan 8.230 nan 0.000 0.436 455 I N 0.065 120.482 120.570 -0.255 0.000 2.208 455 I HA -0.339 3.831 4.170 0.000 0.000 0.245 455 I C 2.097 178.142 176.117 -0.120 0.000 1.097 455 I CA 1.415 62.611 61.300 -0.174 0.000 1.363 455 I CB -0.581 37.347 38.000 -0.120 0.000 1.051 455 I HN 0.353 nan 8.210 nan 0.000 0.413 456 N N -0.155 118.498 118.700 -0.079 0.000 2.137 456 N HA -0.212 4.528 4.740 0.000 0.000 0.190 456 N C 1.831 177.324 175.510 -0.028 0.000 1.017 456 N CA 1.443 54.475 53.050 -0.029 0.000 0.859 456 N CB -0.474 38.022 38.487 0.015 0.000 1.002 456 N HN 0.464 nan 8.380 nan 0.000 0.428 457 C N -0.172 119.084 119.300 -0.073 0.000 2.739 457 C HA 0.276 4.737 4.460 0.000 0.000 0.285 457 C C 2.711 177.651 174.990 -0.085 0.000 1.301 457 C CA 0.915 59.901 59.018 -0.054 0.000 1.700 457 C CB -1.225 26.475 27.740 -0.065 0.000 2.147 457 C HN 0.471 nan 8.230 nan 0.000 0.510 458 A N -0.385 122.261 122.820 -0.289 0.000 1.917 458 A HA -0.286 4.034 4.320 0.000 0.000 0.219 458 A C 2.168 179.750 177.584 -0.004 0.000 1.182 458 A CA 2.453 54.402 52.037 -0.146 0.000 0.633 458 A CB -0.851 17.957 19.000 -0.319 0.000 0.819 458 A HN 0.878 nan 8.150 nan 0.000 0.448 459 Q N -1.377 118.393 119.800 -0.051 0.000 2.389 459 Q HA 0.076 4.417 4.340 0.000 0.000 0.201 459 Q C 1.710 177.707 176.000 -0.005 0.000 0.956 459 Q CA 0.592 56.383 55.803 -0.020 0.000 0.871 459 Q CB 0.055 28.770 28.738 -0.039 0.000 0.990 459 Q HN 0.545 nan 8.270 nan 0.000 0.554 460 K N 0.189 120.582 120.400 -0.012 0.000 2.418 460 K HA 0.023 4.344 4.320 0.000 0.000 0.195 460 K C 0.288 176.898 176.600 0.018 0.000 1.035 460 K CA 0.411 56.700 56.287 0.002 0.000 1.003 460 K CB 0.317 32.816 32.500 -0.002 0.000 0.793 460 K HN 0.106 nan 8.250 nan 0.000 0.494 461 K N 0.433 120.849 120.400 0.027 0.000 3.407 461 K HA -0.137 4.184 4.320 0.000 0.000 0.312 461 K C -0.367 176.265 176.600 0.054 0.000 1.302 461 K CA 0.828 57.145 56.287 0.050 0.000 0.931 461 K CB -0.894 31.634 32.500 0.047 0.000 1.257 461 K HN 0.207 nan 8.250 nan 0.000 0.454 462 M N -0.697 118.931 119.600 0.046 0.000 2.188 462 M HA 0.197 4.677 4.480 0.000 0.000 0.354 462 M C 0.629 176.980 176.300 0.085 0.000 1.342 462 M CA 0.006 55.341 55.300 0.058 0.000 1.117 462 M CB 1.026 33.653 32.600 0.044 0.000 1.670 462 M HN 0.113 nan 8.290 nan 0.000 0.466 463 C N 1.248 120.611 119.300 0.106 0.000 3.730 463 C HA 0.205 4.665 4.460 0.000 0.000 0.397 463 C C 0.918 176.005 174.990 0.162 0.000 1.468 463 C CA -0.183 58.923 59.018 0.147 0.000 1.931 463 C CB 0.244 28.074 27.740 0.151 0.000 2.773 463 C HN 0.819 nan 8.230 nan 0.000 0.692 464 K N 1.405 121.886 120.400 0.136 0.000 2.383 464 K HA 0.160 4.480 4.320 0.000 0.000 0.286 464 K C -0.920 175.790 176.600 0.184 0.000 1.051 464 K CA 0.311 56.686 56.287 0.147 0.000 0.974 464 K CB 0.370 32.942 32.500 0.121 0.000 0.968 464 K HN 0.383 nan 8.250 nan 0.000 0.475 465 Y N 3.305 123.636 120.300 0.051 0.000 2.328 465 Y HA 0.125 4.675 4.550 0.000 0.000 0.337 465 Y C -0.273 175.637 175.900 0.016 0.000 1.008 465 Y CA -0.455 57.660 58.100 0.026 0.000 1.129 465 Y CB 0.736 39.175 38.460 -0.036 0.000 1.185 465 Y HN 0.523 nan 8.280 nan 0.000 0.476 466 H N 6.111 124.853 119.070 -0.548 0.000 2.511 466 H HA 0.414 4.970 4.556 0.000 0.000 0.328 466 H C -0.509 174.556 175.328 -0.438 0.000 1.044 466 H CA -0.474 55.357 56.048 -0.360 0.000 1.212 466 H CB 1.311 30.951 29.762 -0.203 0.000 1.428 466 H HN 0.672 nan 8.280 nan 0.000 0.483 467 V N 0.000 119.722 119.914 -0.320 0.000 2.409 467 V HA 0.000 4.120 4.120 0.000 0.000 0.244 467 V CA 0.000 62.202 62.300 -0.164 0.000 1.235 467 V CB 0.000 31.651 31.823 -0.286 0.000 1.184 467 V HN 0.000 nan 8.190 nan 0.000 0.556