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 2x5l_1_A DATA FIRST_RESID 20 DATA SEQUENCE PNLPPGFDFT DPAIYAERLP VAEFAELRSA APIWWNGQDP GKGGGFHDGG DATA SEQUENCE FWAITKLNDV KEISRHSDVF SSYENGVIPR FKNDIAREDI EVQRFVMLNM DATA SEQUENCE DAPHHTRLRK IISRGFTPRA VGRLHDELQE RAQKIAAEAA AAGSGDFVEQ DATA SEQUENCE VSCELPLQAI AGLLGVPQED RGKLFHWSNE MTGNEDPEYA HIDPKASSAE DATA SEQUENCE LIGYAMKMAE EKAKNPADDI VTQLIQADID GEKLSDDEFG FFVVMLAVAG DATA SEQUENCE NETTRNSITQ GMMAFAEHPD QWELYKKVRP ETAADEIVRW ATPVTAFQRT DATA SEQUENCE ALRDYELSGV QIKKGQRVVM FYRSANFDEE VFQDPFTFNI LRNPNPHVGF DATA SEQUENCE GGTGAHYCIG ANLARMTINL IFNAVADHMP DLKPISAPER LRSGWLNGIK DATA SEQUENCE HWQVDYTGRL PVAH 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 20 P HA 0.000 nan 4.420 nan 0.000 0.216 20 P C 0.000 177.208 177.300 -0.153 0.000 1.155 20 P CA 0.000 63.008 63.100 -0.153 0.000 0.800 20 P CB 0.000 31.475 31.700 -0.375 0.000 0.726 21 N N 0.959 119.560 118.700 -0.165 0.000 2.605 21 N HA 0.371 5.111 4.740 -0.001 0.000 0.258 21 N C -0.865 174.492 175.510 -0.255 0.000 1.156 21 N CA 0.148 53.102 53.050 -0.161 0.000 1.008 21 N CB -0.591 37.817 38.487 -0.131 0.000 1.354 21 N HN 0.340 nan 8.380 nan 0.000 0.509 22 L N 2.432 123.494 121.223 -0.268 0.000 2.409 22 L HA 0.599 4.938 4.340 -0.001 0.000 0.262 22 L C -2.004 174.745 176.870 -0.201 0.000 0.992 22 L CA -2.143 52.461 54.840 -0.393 0.000 0.817 22 L CB 2.029 43.745 42.059 -0.572 0.000 1.350 22 L HN 0.274 nan 8.230 nan 0.000 0.411 23 P HA 0.183 nan 4.420 nan 0.000 0.267 23 P C -2.555 174.779 177.300 0.057 0.000 1.200 23 P CA -0.858 62.224 63.100 -0.030 0.000 0.772 23 P CB -0.281 31.430 31.700 0.019 0.000 0.855 24 P HA 0.206 nan 4.420 nan 0.000 0.271 24 P C 0.877 178.233 177.300 0.094 0.000 1.216 24 P CA 0.694 63.844 63.100 0.085 0.000 0.771 24 P CB 0.399 32.131 31.700 0.054 0.000 0.864 25 G N 2.124 110.995 108.800 0.120 0.000 2.175 25 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.244 25 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.244 25 G C 0.090 175.048 174.900 0.097 0.000 0.982 25 G CA -0.568 44.578 45.100 0.076 0.000 0.641 25 G HN 0.526 nan 8.290 nan 0.000 0.527 26 F N 2.243 122.190 119.950 -0.006 0.000 2.608 26 F HA 0.467 4.993 4.527 -0.001 0.000 0.380 26 F C 0.278 176.046 175.800 -0.053 0.000 1.083 26 F CA 0.473 58.409 58.000 -0.107 0.000 1.266 26 F CB 0.769 39.630 39.000 -0.232 0.000 1.076 26 F HN 0.074 nan 8.300 nan 0.000 0.574 27 D N 5.755 125.794 120.400 -0.602 0.000 2.549 27 D HA 0.133 4.772 4.640 -0.001 0.000 0.251 27 D C 0.175 176.279 176.300 -0.327 0.000 1.153 27 D CA -0.438 53.440 54.000 -0.203 0.000 0.861 27 D CB 0.570 41.321 40.800 -0.082 0.000 1.207 27 D HN 0.421 nan 8.370 nan 0.000 0.543 28 F N 1.247 121.279 119.950 0.136 0.000 2.546 28 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 28 F C 2.410 178.464 175.800 0.424 0.000 1.120 28 F CA 1.154 59.234 58.000 0.134 0.000 1.456 28 F CB 0.112 39.093 39.000 -0.032 0.000 1.088 28 F HN 0.403 nan 8.300 nan 0.000 0.572 29 T N -4.016 110.896 114.554 0.597 0.000 3.122 29 T HA 0.022 4.371 4.350 -0.001 0.000 0.250 29 T C 0.376 175.256 174.700 0.300 0.000 1.067 29 T CA -0.331 62.039 62.100 0.450 0.000 0.966 29 T CB -0.410 68.622 68.868 0.274 0.000 1.002 29 T HN -0.058 nan 8.240 nan 0.000 0.542 30 D N 2.903 123.406 120.400 0.172 0.000 2.358 30 D HA 0.179 4.819 4.640 -0.001 0.000 0.258 30 D C -1.652 174.733 176.300 0.142 0.000 1.223 30 D CA -2.365 51.659 54.000 0.040 0.000 0.886 30 D CB 1.678 42.365 40.800 -0.189 0.000 1.120 30 D HN 0.057 nan 8.370 nan 0.000 0.482 31 P HA -0.043 nan 4.420 nan 0.000 0.222 31 P C 0.868 178.217 177.300 0.083 0.000 1.147 31 P CA 0.879 64.076 63.100 0.162 0.000 0.790 31 P CB 0.196 31.948 31.700 0.087 0.000 0.780 32 A N -0.701 122.119 122.820 0.000 0.000 2.019 32 A HA -0.157 4.162 4.320 -0.001 0.000 0.219 32 A C 2.083 179.599 177.584 -0.112 0.000 1.164 32 A CA 1.162 53.168 52.037 -0.051 0.000 0.644 32 A CB -1.457 17.500 19.000 -0.072 0.000 0.805 32 A HN 0.137 nan 8.150 nan 0.000 0.449 33 I N -2.102 118.347 120.570 -0.202 0.000 2.133 33 I HA -0.256 3.914 4.170 -0.001 0.000 0.238 33 I C 2.237 178.146 176.117 -0.346 0.000 1.074 33 I CA 1.463 62.539 61.300 -0.374 0.000 1.342 33 I CB -0.510 37.096 38.000 -0.657 0.000 1.053 33 I HN 0.368 nan 8.210 nan 0.000 0.404 34 Y N 0.760 121.011 120.300 -0.081 0.000 2.421 34 Y HA -0.063 4.487 4.550 -0.001 0.000 0.292 34 Y C 2.551 178.409 175.900 -0.069 0.000 1.136 34 Y CA 0.836 58.895 58.100 -0.067 0.000 1.255 34 Y CB -0.707 37.719 38.460 -0.058 0.000 0.991 34 Y HN 0.118 nan 8.280 nan 0.000 0.552 35 A N -0.268 122.584 122.820 0.053 0.000 2.070 35 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 35 A C 2.093 179.665 177.584 -0.020 0.000 1.159 35 A CA 1.961 54.007 52.037 0.015 0.000 0.656 35 A CB -0.379 18.624 19.000 0.005 0.000 0.800 35 A HN 0.549 nan 8.150 nan 0.000 0.453 36 E N -0.947 119.219 120.200 -0.057 0.000 2.290 36 E HA 0.074 4.424 4.350 -0.001 0.000 0.199 36 E C 0.514 177.061 176.600 -0.089 0.000 0.912 36 E CA 0.170 56.526 56.400 -0.073 0.000 0.924 36 E CB 0.279 29.924 29.700 -0.092 0.000 0.901 36 E HN 0.701 nan 8.360 nan 0.000 0.487 37 R N -0.666 119.760 120.500 -0.123 0.000 2.728 37 R HA 0.306 4.646 4.340 -0.001 0.000 0.274 37 R C -1.649 174.550 176.300 -0.169 0.000 1.032 37 R CA -0.799 55.220 56.100 -0.135 0.000 0.866 37 R CB 0.273 30.482 30.300 -0.151 0.000 1.263 37 R HN -0.066 nan 8.270 nan 0.000 0.475 38 L N 2.030 123.184 121.223 -0.115 0.000 2.292 38 L HA 0.429 4.768 4.340 -0.001 0.000 0.284 38 L C -1.720 175.065 176.870 -0.143 0.000 1.065 38 L CA -2.045 52.758 54.840 -0.062 0.000 0.806 38 L CB 1.685 43.743 42.059 -0.002 0.000 1.175 38 L HN 0.520 nan 8.230 nan 0.000 0.431 39 P HA 0.037 nan 4.420 nan 0.000 0.226 39 P C 0.923 178.102 177.300 -0.200 0.000 1.783 39 P CA -0.084 62.839 63.100 -0.296 0.000 0.980 39 P CB 0.401 31.834 31.700 -0.444 0.000 1.967 40 V N 1.843 121.719 119.914 -0.063 0.000 2.295 40 V HA -0.261 3.859 4.120 -0.001 0.000 0.246 40 V C 2.706 178.797 176.094 -0.006 0.000 1.049 40 V CA 2.545 64.867 62.300 0.036 0.000 1.024 40 V CB -1.282 30.494 31.823 -0.079 0.000 0.648 40 V HN 0.313 nan 8.190 nan 0.000 0.447 41 A N -0.118 122.629 122.820 -0.121 0.000 1.902 41 A HA -0.238 4.082 4.320 -0.001 0.000 0.217 41 A C 2.106 179.600 177.584 -0.150 0.000 1.181 41 A CA 2.027 53.977 52.037 -0.145 0.000 0.623 41 A CB -0.471 18.420 19.000 -0.181 0.000 0.818 41 A HN 0.574 nan 8.150 nan 0.000 0.443 42 E N -0.740 119.320 120.200 -0.234 0.000 2.106 42 E HA -0.072 4.278 4.350 -0.001 0.000 0.192 42 E C 1.542 178.122 176.600 -0.035 0.000 0.984 42 E CA 1.049 57.275 56.400 -0.290 0.000 0.806 42 E CB -0.390 28.916 29.700 -0.657 0.000 0.750 42 E HN 0.625 nan 8.360 nan 0.000 0.458 43 F N 0.881 120.890 119.950 0.098 0.000 2.102 43 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 43 F C 2.328 178.106 175.800 -0.035 0.000 1.105 43 F CA 1.071 59.050 58.000 -0.034 0.000 1.239 43 F CB -1.085 37.907 39.000 -0.013 0.000 0.991 43 F HN 0.037 nan 8.300 nan 0.000 0.474 44 A N -0.299 122.638 122.820 0.194 0.000 1.940 44 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 44 A C 2.120 179.726 177.584 0.037 0.000 1.176 44 A CA 1.979 54.092 52.037 0.127 0.000 0.631 44 A CB -0.825 18.222 19.000 0.079 0.000 0.814 44 A HN 0.358 nan 8.150 nan 0.000 0.446 45 E N 0.299 120.480 120.200 -0.032 0.000 2.077 45 E HA -0.129 4.221 4.350 -0.001 0.000 0.193 45 E C 1.823 178.369 176.600 -0.091 0.000 0.989 45 E CA 1.340 57.688 56.400 -0.087 0.000 0.800 45 E CB -0.416 29.185 29.700 -0.166 0.000 0.746 45 E HN 0.589 nan 8.360 nan 0.000 0.452 46 L N 0.005 121.166 121.223 -0.104 0.000 2.093 46 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 46 L C 2.730 179.596 176.870 -0.007 0.000 1.085 46 L CA 1.323 56.098 54.840 -0.109 0.000 0.755 46 L CB -0.416 41.547 42.059 -0.160 0.000 0.904 46 L HN 0.133 nan 8.230 nan 0.000 0.435 47 R N -0.613 119.909 120.500 0.036 0.000 2.105 47 R HA -0.174 4.166 4.340 -0.001 0.000 0.239 47 R C 2.604 178.935 176.300 0.051 0.000 1.135 47 R CA 1.689 57.826 56.100 0.062 0.000 0.967 47 R CB -0.395 29.962 30.300 0.095 0.000 0.861 47 R HN 0.282 nan 8.270 nan 0.000 0.442 48 S N -0.187 115.535 115.700 0.036 0.000 2.371 48 S HA -0.025 4.445 4.470 -0.001 0.000 0.224 48 S C 1.828 176.440 174.600 0.020 0.000 1.029 48 S CA 1.114 59.332 58.200 0.029 0.000 0.978 48 S CB 0.134 63.343 63.200 0.016 0.000 0.833 48 S HN 0.406 nan 8.310 nan 0.000 0.466 49 A N -0.272 122.550 122.820 0.002 0.000 2.108 49 A HA 0.797 5.116 4.320 -0.001 0.000 0.206 49 A C 0.968 178.574 177.584 0.037 0.000 1.212 49 A CA 0.568 52.607 52.037 0.004 0.000 0.843 49 A CB 0.199 19.179 19.000 -0.033 0.000 0.902 49 A HN 1.043 nan 8.150 nan 0.000 0.477 50 A N -0.170 122.676 122.820 0.042 0.000 3.044 50 A HA 0.557 4.876 4.320 -0.001 0.000 0.289 50 A C -2.319 175.363 177.584 0.162 0.000 1.236 50 A CA -0.474 51.644 52.037 0.135 0.000 0.871 50 A CB 0.381 19.502 19.000 0.201 0.000 1.424 50 A HN 0.053 nan 8.150 nan 0.000 0.564 51 P HA 0.050 nan 4.420 nan 0.000 0.225 51 P C 0.294 177.698 177.300 0.172 0.000 1.156 51 P CA 0.907 64.078 63.100 0.119 0.000 0.787 51 P CB 0.345 32.095 31.700 0.084 0.000 0.802 52 I N -0.672 120.029 120.570 0.217 0.000 2.389 52 I HA 0.369 4.539 4.170 -0.001 0.000 0.288 52 I C -1.051 175.381 176.117 0.524 0.000 0.999 52 I CA -0.812 60.663 61.300 0.292 0.000 1.129 52 I CB 1.584 39.639 38.000 0.092 0.000 1.288 52 I HN -0.104 nan 8.210 nan 0.000 0.444 53 W N 8.709 130.279 121.300 0.449 0.000 2.957 53 W HA 0.333 4.993 4.660 -0.001 0.000 0.336 53 W C -1.300 175.478 176.519 0.432 0.000 1.087 53 W CA -1.097 56.504 57.345 0.427 0.000 1.235 53 W CB 1.352 30.940 29.460 0.212 0.000 1.399 53 W HN 0.460 nan 8.180 nan 0.000 0.480 54 W N 8.655 129.611 121.300 -0.574 0.000 2.419 54 W HA 0.180 4.840 4.660 -0.001 0.000 0.312 54 W C -0.442 175.186 176.519 -1.485 0.000 1.323 54 W CA -0.124 56.556 57.345 -1.107 0.000 1.293 54 W CB 0.839 29.565 29.460 -1.223 0.000 1.324 54 W HN 0.346 nan 8.180 nan 0.000 0.512 55 N N 4.927 122.545 118.700 -1.804 0.000 2.558 55 N HA 0.192 4.931 4.740 -0.001 0.000 0.233 55 N C 0.134 174.651 175.510 -1.655 0.000 1.038 55 N CA 0.012 52.092 53.050 -1.617 0.000 0.934 55 N CB 0.722 38.427 38.487 -1.303 0.000 1.175 55 N HN 0.531 nan 8.380 nan 0.000 0.512 56 G N 1.795 109.922 108.800 -1.121 0.000 2.527 56 G HA2 0.245 4.205 3.960 -0.001 0.000 0.248 56 G HA3 0.245 4.205 3.960 -0.001 0.000 0.248 56 G C -0.489 174.183 174.900 -0.379 0.000 1.231 56 G CA -0.230 44.519 45.100 -0.585 0.000 0.838 56 G HN 0.596 nan 8.290 nan 0.000 0.570 57 Q N 0.595 120.263 119.800 -0.219 0.000 2.337 57 Q HA 0.226 4.566 4.340 -0.001 0.000 0.270 57 Q C -1.169 174.810 176.000 -0.035 0.000 1.043 57 Q CA -0.905 54.840 55.803 -0.097 0.000 0.794 57 Q CB 2.377 31.088 28.738 -0.046 0.000 1.281 57 Q HN 0.498 nan 8.270 nan 0.000 0.446 58 D N 2.806 123.193 120.400 -0.022 0.000 2.368 58 D HA 0.136 4.776 4.640 -0.001 0.000 0.240 58 D C -2.254 174.045 176.300 -0.001 0.000 1.169 58 D CA -1.398 52.599 54.000 -0.005 0.000 0.906 58 D CB 0.243 41.040 40.800 -0.005 0.000 1.187 58 D HN 0.164 nan 8.370 nan 0.000 0.435 59 P HA 0.062 nan 4.420 nan 0.000 0.260 59 P C 0.847 178.151 177.300 0.007 0.000 1.172 59 P CA 0.849 63.961 63.100 0.019 0.000 0.760 59 P CB 0.349 32.066 31.700 0.029 0.000 0.773 60 G N 2.979 111.774 108.800 -0.008 0.000 2.241 60 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.244 60 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.244 60 G C 0.410 175.284 174.900 -0.044 0.000 0.998 60 G CA -0.065 45.028 45.100 -0.012 0.000 0.621 60 G HN 0.560 nan 8.290 nan 0.000 0.519 61 K N 0.571 120.944 120.400 -0.044 0.000 3.135 61 K HA 0.457 4.777 4.320 -0.001 0.000 0.210 61 K C 1.374 177.966 176.600 -0.013 0.000 1.176 61 K CA 0.242 56.515 56.287 -0.023 0.000 1.064 61 K CB 0.844 33.338 32.500 -0.011 0.000 1.009 61 K HN 0.264 nan 8.250 nan 0.000 0.472 62 G N -0.111 108.653 108.800 -0.059 0.000 3.233 62 G HA2 0.144 4.103 3.960 -0.001 0.000 0.234 62 G HA3 0.144 4.103 3.960 -0.001 0.000 0.234 62 G C 0.918 175.879 174.900 0.102 0.000 1.137 62 G CA 0.111 45.214 45.100 0.005 0.000 0.763 62 G HN 0.456 nan 8.290 nan 0.000 0.549 63 G N -0.508 108.334 108.800 0.068 0.000 2.203 63 G HA2 0.161 4.120 3.960 -0.001 0.000 0.263 63 G HA3 0.161 4.120 3.960 -0.001 0.000 0.263 63 G C 1.236 176.174 174.900 0.062 0.000 1.012 63 G CA 1.154 46.331 45.100 0.128 0.000 0.749 63 G HN 1.841 nan 8.290 nan 0.000 0.512 64 G N -2.583 106.138 108.800 -0.132 0.000 2.213 64 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.226 64 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.226 64 G C 0.169 174.737 174.900 -0.553 0.000 0.992 64 G CA 0.235 45.138 45.100 -0.328 0.000 0.632 64 G HN 1.132 nan 8.290 nan 0.000 0.511 65 F N 1.670 121.636 119.950 0.027 0.000 2.436 65 F HA 0.588 5.114 4.527 -0.001 0.000 0.340 65 F C 0.958 176.729 175.800 -0.048 0.000 1.113 65 F CA -0.809 57.235 58.000 0.073 0.000 1.022 65 F CB 1.240 40.285 39.000 0.074 0.000 1.128 65 F HN 0.060 nan 8.300 nan 0.000 0.466 66 H N 2.291 121.471 119.070 0.182 0.000 2.507 66 H HA 0.117 4.672 4.556 -0.001 0.000 0.281 66 H C -0.101 175.307 175.328 0.133 0.000 1.160 66 H CA 0.044 56.163 56.048 0.117 0.000 0.981 66 H CB 0.186 29.983 29.762 0.058 0.000 1.665 66 H HN 0.625 nan 8.280 nan 0.000 0.554 67 D N -1.210 119.330 120.400 0.234 0.000 2.398 67 D HA 0.075 4.715 4.640 -0.001 0.000 0.210 67 D C 1.717 178.141 176.300 0.207 0.000 1.094 67 D CA 0.385 54.514 54.000 0.215 0.000 0.839 67 D CB 0.521 41.461 40.800 0.234 0.000 0.963 67 D HN 0.375 nan 8.370 nan 0.000 0.506 68 G N -0.837 108.058 108.800 0.157 0.000 2.176 68 G HA2 0.104 4.063 3.960 -0.001 0.000 0.253 68 G HA3 0.104 4.063 3.960 -0.001 0.000 0.253 68 G C 0.714 175.669 174.900 0.092 0.000 0.979 68 G CA 0.122 45.306 45.100 0.140 0.000 0.641 68 G HN 1.293 nan 8.290 nan 0.000 0.530 69 G N -1.411 107.372 108.800 -0.029 0.000 2.362 69 G HA2 0.669 4.628 3.960 -0.001 0.000 0.288 69 G HA3 0.669 4.628 3.960 -0.001 0.000 0.288 69 G C -0.671 173.725 174.900 -0.840 0.000 1.305 69 G CA -0.016 44.710 45.100 -0.623 0.000 0.910 69 G HN 1.836 nan 8.290 nan 0.000 0.518 70 F N -3.438 115.659 119.950 -1.422 0.000 2.713 70 F HA 0.764 5.291 4.527 -0.001 0.000 0.311 70 F C -1.478 173.834 175.800 -0.814 0.000 1.141 70 F CA -2.334 55.175 58.000 -0.819 0.000 0.939 70 F CB 0.788 39.598 39.000 -0.318 0.000 1.325 70 F HN 0.568 nan 8.300 nan 0.000 0.453 71 W N 2.142 123.528 121.300 0.145 0.000 2.388 71 W HA 0.663 5.323 4.660 -0.001 0.000 0.308 71 W C 0.015 176.777 176.519 0.405 0.000 1.263 71 W CA -0.543 56.943 57.345 0.235 0.000 1.286 71 W CB 1.351 30.990 29.460 0.298 0.000 1.294 71 W HN 0.810 nan 8.180 nan 0.000 0.493 72 A N 5.794 129.005 122.820 0.651 0.000 2.404 72 A HA 0.401 4.720 4.320 -0.001 0.000 0.273 72 A C -0.413 177.492 177.584 0.535 0.000 1.144 72 A CA -0.364 52.143 52.037 0.783 0.000 0.806 72 A CB -0.088 19.289 19.000 0.628 0.000 1.080 72 A HN 0.488 nan 8.150 nan 0.000 0.509 73 I N 4.064 124.894 120.570 0.433 0.000 2.312 73 I HA 0.253 4.422 4.170 -0.001 0.000 0.290 73 I C 1.278 177.515 176.117 0.200 0.000 1.008 73 I CA 0.112 61.539 61.300 0.211 0.000 1.226 73 I CB 0.732 38.752 38.000 0.033 0.000 1.371 73 I HN 0.792 nan 8.210 nan 0.000 0.468 74 T N 1.901 116.534 114.554 0.131 0.000 2.975 74 T HA 0.249 4.598 4.350 -0.001 0.000 0.257 74 T C 0.710 175.438 174.700 0.046 0.000 1.003 74 T CA -0.123 62.018 62.100 0.068 0.000 0.932 74 T CB 0.536 69.438 68.868 0.057 0.000 1.087 74 T HN 0.244 nan 8.240 nan 0.000 0.512 75 K N 1.337 121.770 120.400 0.055 0.000 2.138 75 K HA 0.440 4.760 4.320 -0.001 0.000 0.263 75 K C 0.821 177.450 176.600 0.048 0.000 0.965 75 K CA -0.613 55.706 56.287 0.054 0.000 0.868 75 K CB 2.422 34.951 32.500 0.047 0.000 1.083 75 K HN 0.073 nan 8.250 nan 0.000 0.443 76 L N 2.758 124.018 121.223 0.061 0.000 2.042 76 L HA -0.273 4.066 4.340 -0.001 0.000 0.210 76 L C 1.457 178.347 176.870 0.035 0.000 1.076 76 L CA 1.697 56.575 54.840 0.063 0.000 0.749 76 L CB -0.044 42.056 42.059 0.068 0.000 0.893 76 L HN 0.563 nan 8.230 nan 0.000 0.432 77 N N 0.049 118.758 118.700 0.015 0.000 2.223 77 N HA -0.183 4.557 4.740 -0.001 0.000 0.185 77 N C 1.393 176.913 175.510 0.015 0.000 1.016 77 N CA 1.493 54.550 53.050 0.012 0.000 0.863 77 N CB -0.385 38.105 38.487 0.006 0.000 0.983 77 N HN 0.453 nan 8.380 nan 0.000 0.429 78 D N 0.212 120.616 120.400 0.007 0.000 2.149 78 D HA -0.032 4.607 4.640 -0.001 0.000 0.201 78 D C 2.082 178.348 176.300 -0.057 0.000 0.972 78 D CA 0.406 54.392 54.000 -0.023 0.000 0.835 78 D CB -0.164 40.623 40.800 -0.021 0.000 0.966 78 D HN -0.008 nan 8.370 nan 0.000 0.476 79 V N 1.539 121.438 119.914 -0.024 0.000 2.287 79 V HA -0.261 3.859 4.120 -0.001 0.000 0.248 79 V C 2.343 178.450 176.094 0.023 0.000 1.053 79 V CA 1.632 63.923 62.300 -0.016 0.000 1.027 79 V CB -0.371 31.484 31.823 0.054 0.000 0.646 79 V HN 0.187 nan 8.190 nan 0.000 0.447 80 K N -0.232 120.196 120.400 0.046 0.000 2.057 80 K HA -0.243 4.076 4.320 -0.001 0.000 0.207 80 K C 2.230 178.868 176.600 0.064 0.000 1.049 80 K CA 1.780 58.103 56.287 0.060 0.000 0.931 80 K CB -0.191 32.337 32.500 0.047 0.000 0.714 80 K HN 0.565 nan 8.250 nan 0.000 0.440 81 E N 1.204 121.435 120.200 0.052 0.000 2.051 81 E HA -0.182 4.168 4.350 -0.001 0.000 0.192 81 E C 1.991 178.637 176.600 0.076 0.000 0.991 81 E CA 1.009 57.481 56.400 0.120 0.000 0.799 81 E CB -0.011 29.735 29.700 0.077 0.000 0.748 81 E HN 0.219 nan 8.360 nan 0.000 0.449 82 I N 0.598 121.060 120.570 -0.179 0.000 2.163 82 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 82 I C 2.475 178.543 176.117 -0.082 0.000 1.085 82 I CA 1.120 62.151 61.300 -0.448 0.000 1.347 82 I CB -0.187 37.398 38.000 -0.692 0.000 1.044 82 I HN 0.091 nan 8.210 nan 0.000 0.408 83 S N 0.144 115.840 115.700 -0.008 0.000 2.368 83 S HA -0.180 4.290 4.470 -0.001 0.000 0.225 83 S C 2.102 176.760 174.600 0.097 0.000 1.030 83 S CA 1.085 59.332 58.200 0.079 0.000 0.999 83 S CB -0.308 62.967 63.200 0.126 0.000 0.844 83 S HN 0.350 nan 8.310 nan 0.000 0.459 84 R N 0.939 121.494 120.500 0.092 0.000 2.115 84 R HA -0.008 4.332 4.340 -0.001 0.000 0.226 84 R C 0.244 176.532 176.300 -0.020 0.000 1.100 84 R CA 0.879 56.998 56.100 0.030 0.000 0.980 84 R CB -0.217 30.094 30.300 0.019 0.000 0.875 84 R HN 0.500 nan 8.270 nan 0.000 0.445 85 H N 0.751 119.882 119.070 0.102 0.000 2.640 85 H HA 0.071 4.626 4.556 -0.001 0.000 0.220 85 H C 1.096 176.509 175.328 0.142 0.000 1.852 85 H CA 0.190 56.315 56.048 0.128 0.000 1.275 85 H CB 0.507 30.360 29.762 0.152 0.000 1.675 85 H HN 0.264 nan 8.280 nan 0.000 0.523 86 S N 0.082 115.866 115.700 0.139 0.000 2.481 86 S HA -0.161 4.308 4.470 -0.001 0.000 0.231 86 S C 1.646 176.283 174.600 0.062 0.000 0.996 86 S CA 0.736 59.006 58.200 0.117 0.000 0.942 86 S CB 0.075 63.327 63.200 0.086 0.000 0.768 86 S HN 0.557 nan 8.310 nan 0.000 0.520 87 D N 1.862 122.287 120.400 0.042 0.000 2.218 87 D HA -0.089 4.550 4.640 -0.001 0.000 0.204 87 D C 1.663 177.945 176.300 -0.030 0.000 0.976 87 D CA 0.841 54.850 54.000 0.015 0.000 0.853 87 D CB -0.433 40.383 40.800 0.027 0.000 0.939 87 D HN 0.464 nan 8.370 nan 0.000 0.481 88 V N -1.048 118.811 119.914 -0.092 0.000 2.788 88 V HA 0.119 4.239 4.120 -0.001 0.000 0.241 88 V C 0.314 176.111 176.094 -0.496 0.000 1.083 88 V CA 0.240 62.322 62.300 -0.363 0.000 1.103 88 V CB -0.180 31.236 31.823 -0.679 0.000 0.800 88 V HN -0.060 nan 8.190 nan 0.000 0.476 89 F N 1.378 121.281 119.950 -0.077 0.000 2.303 89 F HA 0.511 5.037 4.527 -0.001 0.000 0.368 89 F C 0.633 176.405 175.800 -0.048 0.000 1.105 89 F CA -0.328 57.623 58.000 -0.082 0.000 1.153 89 F CB 1.141 40.068 39.000 -0.122 0.000 1.362 89 F HN -0.101 nan 8.300 nan 0.000 0.511 90 S N 1.458 117.209 115.700 0.085 0.000 2.545 90 S HA 0.242 4.711 4.470 -0.001 0.000 0.275 90 S C 1.095 175.707 174.600 0.019 0.000 1.299 90 S CA -0.463 57.772 58.200 0.057 0.000 1.048 90 S CB 1.051 64.286 63.200 0.058 0.000 0.938 90 S HN 0.579 nan 8.310 nan 0.000 0.496 91 S N 3.323 119.008 115.700 -0.025 0.000 2.439 91 S HA 0.005 4.475 4.470 -0.001 0.000 0.224 91 S C 1.289 175.859 174.600 -0.051 0.000 1.029 91 S CA 0.432 58.544 58.200 -0.146 0.000 0.946 91 S CB -0.502 62.460 63.200 -0.396 0.000 0.797 91 S HN 0.861 nan 8.310 nan 0.000 0.504 92 Y N 2.511 122.758 120.300 -0.088 0.000 2.242 92 Y HA -0.118 4.432 4.550 -0.001 0.000 0.291 92 Y C 2.338 178.207 175.900 -0.051 0.000 1.137 92 Y CA 1.783 59.843 58.100 -0.066 0.000 1.181 92 Y CB -0.120 38.324 38.460 -0.027 0.000 0.989 92 Y HN 0.168 nan 8.280 nan 0.000 0.527 93 E N 0.538 120.837 120.200 0.164 0.000 2.077 93 E HA -0.189 4.160 4.350 -0.001 0.000 0.193 93 E C 0.893 177.484 176.600 -0.016 0.000 0.989 93 E CA 1.845 58.309 56.400 0.106 0.000 0.800 93 E CB -0.147 29.620 29.700 0.112 0.000 0.746 93 E HN 0.423 nan 8.360 nan 0.000 0.452 94 N N -0.502 118.187 118.700 -0.019 0.000 2.241 94 N HA 0.209 4.948 4.740 -0.001 0.000 0.238 94 N C -0.256 175.280 175.510 0.043 0.000 1.244 94 N CA 0.622 53.702 53.050 0.051 0.000 0.880 94 N CB 1.169 39.672 38.487 0.027 0.000 1.179 94 N HN 0.229 nan 8.380 nan 0.000 0.513 95 G N 0.689 109.440 108.800 -0.082 0.000 2.894 95 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.247 95 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.247 95 G C 0.821 175.607 174.900 -0.189 0.000 1.442 95 G CA 0.072 45.099 45.100 -0.122 0.000 0.897 95 G HN 0.340 nan 8.290 nan 0.000 0.550 96 V N -2.011 117.718 119.914 -0.307 0.000 3.565 96 V HA 0.494 4.613 4.120 -0.001 0.000 0.260 96 V C 1.515 177.377 176.094 -0.387 0.000 1.231 96 V CA 0.908 62.944 62.300 -0.440 0.000 1.100 96 V CB -0.162 31.187 31.823 -0.790 0.000 0.807 96 V HN 0.681 nan 8.190 nan 0.000 0.454 97 I N 3.538 123.866 120.570 -0.404 0.000 2.471 97 I HA 0.245 4.414 4.170 -0.001 0.000 0.286 97 I C -1.326 174.530 176.117 -0.434 0.000 1.079 97 I CA -1.304 59.610 61.300 -0.644 0.000 1.398 97 I CB 1.658 39.039 38.000 -1.030 0.000 1.403 97 I HN 0.144 nan 8.210 nan 0.000 0.530 98 P HA 0.108 nan 4.420 nan 0.000 0.262 98 P C -0.080 177.167 177.300 -0.089 0.000 1.304 98 P CA 0.100 63.002 63.100 -0.330 0.000 0.859 98 P CB 0.436 31.861 31.700 -0.459 0.000 1.310 99 R N -0.291 120.107 120.500 -0.171 0.000 2.523 99 R HA 0.530 4.870 4.340 -0.001 0.000 0.278 99 R C -1.585 174.538 176.300 -0.294 0.000 1.150 99 R CA -0.242 55.840 56.100 -0.029 0.000 0.987 99 R CB 0.456 30.805 30.300 0.082 0.000 1.232 99 R HN -0.256 nan 8.270 nan 0.000 0.424 100 F N 1.475 121.495 119.950 0.117 0.000 2.661 100 F HA 0.532 5.058 4.527 -0.001 0.000 0.347 100 F C 0.460 176.288 175.800 0.047 0.000 1.086 100 F CA -0.987 57.055 58.000 0.070 0.000 1.016 100 F CB 0.873 39.855 39.000 -0.030 0.000 1.368 100 F HN 0.280 nan 8.300 nan 0.000 0.505 101 K N 0.974 121.528 120.400 0.255 0.000 2.527 101 K HA -0.048 4.272 4.320 -0.001 0.000 0.278 101 K C 0.818 177.480 176.600 0.102 0.000 0.981 101 K CA -0.033 56.338 56.287 0.140 0.000 1.009 101 K CB 0.349 32.915 32.500 0.110 0.000 0.895 101 K HN 0.494 nan 8.250 nan 0.000 0.493 102 N N 2.365 121.102 118.700 0.063 0.000 2.223 102 N HA -0.163 4.576 4.740 -0.001 0.000 0.185 102 N C 0.485 176.006 175.510 0.019 0.000 1.016 102 N CA 1.407 54.471 53.050 0.024 0.000 0.863 102 N CB -0.093 38.400 38.487 0.011 0.000 0.983 102 N HN 0.657 nan 8.380 nan 0.000 0.429 103 D N -0.179 120.242 120.400 0.034 0.000 2.340 103 D HA 0.018 4.658 4.640 -0.001 0.000 0.217 103 D C 0.744 177.052 176.300 0.012 0.000 1.081 103 D CA -0.446 53.578 54.000 0.040 0.000 0.842 103 D CB -0.511 40.309 40.800 0.033 0.000 0.934 103 D HN 0.198 nan 8.370 nan 0.000 0.511 104 I N 1.139 121.700 120.570 -0.014 0.000 2.919 104 I HA -0.003 4.167 4.170 -0.001 0.000 0.303 104 I C 0.449 176.497 176.117 -0.116 0.000 1.221 104 I CA -0.149 61.098 61.300 -0.087 0.000 1.444 104 I CB 0.491 38.383 38.000 -0.179 0.000 1.331 104 I HN 0.112 nan 8.210 nan 0.000 0.572 105 A N 6.629 129.372 122.820 -0.128 0.000 2.445 105 A HA 0.136 4.455 4.320 -0.001 0.000 0.242 105 A C 1.152 178.620 177.584 -0.195 0.000 1.075 105 A CA -0.382 51.576 52.037 -0.132 0.000 0.777 105 A CB 0.710 19.647 19.000 -0.106 0.000 1.013 105 A HN 0.916 nan 8.150 nan 0.000 0.493 106 R N 1.005 121.399 120.500 -0.177 0.000 2.096 106 R HA -0.187 4.152 4.340 -0.001 0.000 0.235 106 R C 1.856 178.033 176.300 -0.205 0.000 1.127 106 R CA 2.483 58.464 56.100 -0.198 0.000 0.968 106 R CB -0.527 29.683 30.300 -0.150 0.000 0.861 106 R HN 0.929 nan 8.270 nan 0.000 0.440 107 E N -0.632 119.469 120.200 -0.165 0.000 2.204 107 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 107 E C 0.736 177.223 176.600 -0.188 0.000 0.990 107 E CA 1.484 57.791 56.400 -0.155 0.000 0.821 107 E CB -0.244 29.395 29.700 -0.102 0.000 0.750 107 E HN 0.327 nan 8.360 nan 0.000 0.477 108 D N 0.858 121.127 120.400 -0.219 0.000 2.277 108 D HA 0.008 4.648 4.640 -0.001 0.000 0.208 108 D C 2.030 178.088 176.300 -0.403 0.000 0.962 108 D CA 0.624 54.471 54.000 -0.255 0.000 0.865 108 D CB 0.024 40.679 40.800 -0.242 0.000 0.939 108 D HN 0.350 nan 8.370 nan 0.000 0.510 109 I N 0.883 121.161 120.570 -0.488 0.000 2.233 109 I HA -0.163 4.007 4.170 -0.001 0.000 0.243 109 I C 2.050 177.982 176.117 -0.308 0.000 1.093 109 I CA 0.936 61.927 61.300 -0.515 0.000 1.380 109 I CB -0.172 37.540 38.000 -0.479 0.000 1.067 109 I HN -0.101 nan 8.210 nan 0.000 0.413 110 E N 0.312 120.339 120.200 -0.289 0.000 2.268 110 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 110 E C 2.184 178.549 176.600 -0.391 0.000 0.995 110 E CA 0.649 56.853 56.400 -0.327 0.000 0.836 110 E CB 0.047 29.570 29.700 -0.295 0.000 0.763 110 E HN 0.267 nan 8.360 nan 0.000 0.491 111 V N 1.278 121.005 119.914 -0.311 0.000 2.913 111 V HA -0.247 3.873 4.120 -0.001 0.000 0.260 111 V C 1.779 177.717 176.094 -0.261 0.000 1.098 111 V CA 1.561 63.679 62.300 -0.303 0.000 1.121 111 V CB -0.251 31.527 31.823 -0.075 0.000 0.714 111 V HN 0.279 nan 8.190 nan 0.000 0.487 112 Q N -0.428 119.240 119.800 -0.220 0.000 2.234 112 Q HA -0.211 4.129 4.340 -0.001 0.000 0.206 112 Q C 2.160 178.030 176.000 -0.217 0.000 0.980 112 Q CA 1.414 57.123 55.803 -0.156 0.000 0.869 112 Q CB -0.206 28.461 28.738 -0.119 0.000 0.912 112 Q HN 0.611 nan 8.270 nan 0.000 0.436 113 R N -0.393 119.892 120.500 -0.358 0.000 2.293 113 R HA -0.089 4.251 4.340 -0.001 0.000 0.219 113 R C 1.160 177.301 176.300 -0.265 0.000 1.091 113 R CA 0.641 56.538 56.100 -0.337 0.000 1.004 113 R CB -0.054 29.942 30.300 -0.507 0.000 0.865 113 R HN 0.191 nan 8.270 nan 0.000 0.469 114 F N 0.257 120.010 119.950 -0.328 0.000 2.661 114 F HA -0.011 4.516 4.527 -0.001 0.000 0.298 114 F C 1.205 176.694 175.800 -0.519 0.000 1.137 114 F CA -0.095 57.519 58.000 -0.643 0.000 1.454 114 F CB -0.144 38.034 39.000 -1.370 0.000 1.103 114 F HN -0.204 nan 8.300 nan 0.000 0.577 115 V N -2.096 117.770 119.914 -0.080 0.000 2.732 115 V HA 0.284 4.404 4.120 -0.001 0.000 0.310 115 V C 1.165 177.278 176.094 0.032 0.000 1.053 115 V CA -0.967 61.353 62.300 0.033 0.000 0.957 115 V CB 1.803 33.676 31.823 0.083 0.000 1.018 115 V HN 0.236 nan 8.190 nan 0.000 0.452 116 M N 2.249 121.902 119.600 0.088 0.000 2.202 116 M HA -0.116 4.364 4.480 -0.001 0.000 0.262 116 M C 1.623 178.060 176.300 0.229 0.000 1.063 116 M CA 2.248 57.619 55.300 0.118 0.000 1.097 116 M CB -0.219 32.455 32.600 0.124 0.000 1.382 116 M HN 0.845 nan 8.290 nan 0.000 0.413 117 L N 1.104 122.399 121.223 0.119 0.000 2.127 117 L HA -0.177 4.162 4.340 -0.001 0.000 0.211 117 L C 1.012 177.782 176.870 -0.165 0.000 1.089 117 L CA 1.790 56.629 54.840 -0.002 0.000 0.757 117 L CB -0.518 41.466 42.059 -0.126 0.000 0.899 117 L HN 0.402 nan 8.230 nan 0.000 0.434 118 N N -0.693 117.954 118.700 -0.088 0.000 2.328 118 N HA 0.221 4.961 4.740 -0.001 0.000 0.247 118 N C -0.449 175.081 175.510 0.033 0.000 1.165 118 N CA 0.078 53.054 53.050 -0.123 0.000 0.873 118 N CB 0.369 38.757 38.487 -0.165 0.000 1.125 118 N HN 0.371 nan 8.380 nan 0.000 0.513 119 M N -0.007 119.676 119.600 0.138 0.000 2.578 119 M HA 0.324 4.804 4.480 -0.001 0.000 0.321 119 M C -0.624 175.813 176.300 0.228 0.000 1.182 119 M CA -0.604 54.820 55.300 0.207 0.000 0.965 119 M CB 1.586 34.216 32.600 0.051 0.000 1.694 119 M HN -0.191 nan 8.290 nan 0.000 0.461 120 D N 0.698 121.187 120.400 0.150 0.000 2.340 120 D HA 0.592 5.231 4.640 -0.001 0.000 0.243 120 D C -0.533 175.828 176.300 0.102 0.000 0.988 120 D CA -0.317 53.742 54.000 0.097 0.000 0.959 120 D CB 1.538 42.349 40.800 0.019 0.000 1.226 120 D HN 0.688 nan 8.370 nan 0.000 0.509 121 A N 1.374 124.239 122.820 0.075 0.000 2.483 121 A HA 0.274 4.593 4.320 -0.001 0.000 0.238 121 A C -1.344 176.264 177.584 0.040 0.000 1.070 121 A CA -0.503 51.581 52.037 0.079 0.000 0.770 121 A CB -0.023 19.007 19.000 0.050 0.000 1.008 121 A HN 0.446 nan 8.150 nan 0.000 0.497 122 P HA -0.080 nan 4.420 nan 0.000 0.240 122 P C 0.924 178.295 177.300 0.119 0.000 1.190 122 P CA 0.836 63.974 63.100 0.063 0.000 0.781 122 P CB 0.067 31.785 31.700 0.030 0.000 0.931 123 H N 0.911 119.991 119.070 0.016 0.000 2.319 123 H HA -0.197 4.358 4.556 -0.001 0.000 0.299 123 H C 2.100 177.458 175.328 0.050 0.000 1.092 123 H CA 1.793 57.859 56.048 0.031 0.000 1.302 123 H CB -1.126 28.654 29.762 0.031 0.000 1.373 123 H HN 0.194 nan 8.280 nan 0.000 0.497 124 H N -0.313 118.766 119.070 0.016 0.000 2.352 124 H HA -0.105 4.450 4.556 -0.001 0.000 0.299 124 H C 1.494 176.792 175.328 -0.051 0.000 1.097 124 H CA 2.096 58.101 56.048 -0.072 0.000 1.311 124 H CB -0.045 29.663 29.762 -0.089 0.000 1.377 124 H HN 0.421 nan 8.280 nan 0.000 0.504 125 T N 1.132 115.678 114.554 -0.012 0.000 2.720 125 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 125 T C 2.148 176.794 174.700 -0.091 0.000 1.037 125 T CA 1.587 63.654 62.100 -0.056 0.000 1.144 125 T CB -0.206 68.677 68.868 0.025 0.000 0.864 125 T HN 0.395 nan 8.240 nan 0.000 0.444 126 R N 0.376 120.863 120.500 -0.023 0.000 2.066 126 R HA -0.034 4.306 4.340 -0.001 0.000 0.232 126 R C 2.387 178.665 176.300 -0.036 0.000 1.131 126 R CA 1.149 57.248 56.100 -0.002 0.000 0.955 126 R CB -0.492 29.845 30.300 0.061 0.000 0.851 126 R HN 0.259 nan 8.270 nan 0.000 0.432 127 L N 1.289 122.478 121.223 -0.057 0.000 2.093 127 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 127 L C 2.553 179.332 176.870 -0.152 0.000 1.085 127 L CA 1.769 56.562 54.840 -0.079 0.000 0.755 127 L CB -0.584 41.416 42.059 -0.099 0.000 0.904 127 L HN 0.135 nan 8.230 nan 0.000 0.435 128 R N -0.171 120.147 120.500 -0.305 0.000 2.096 128 R HA -0.192 4.147 4.340 -0.001 0.000 0.235 128 R C 2.378 178.600 176.300 -0.131 0.000 1.127 128 R CA 1.785 57.715 56.100 -0.284 0.000 0.968 128 R CB -0.318 29.676 30.300 -0.510 0.000 0.861 128 R HN 0.358 nan 8.270 nan 0.000 0.440 129 K N 0.053 120.389 120.400 -0.107 0.000 2.057 129 K HA -0.110 4.210 4.320 -0.001 0.000 0.207 129 K C 1.883 178.462 176.600 -0.035 0.000 1.049 129 K CA 1.750 58.006 56.287 -0.051 0.000 0.931 129 K CB -0.103 32.374 32.500 -0.038 0.000 0.714 129 K HN 0.234 nan 8.250 nan 0.000 0.440 130 I N 0.860 121.403 120.570 -0.045 0.000 2.202 130 I HA -0.255 3.915 4.170 -0.001 0.000 0.242 130 I C 2.198 178.277 176.117 -0.062 0.000 1.091 130 I CA 1.100 62.375 61.300 -0.042 0.000 1.368 130 I CB -0.152 37.827 38.000 -0.035 0.000 1.058 130 I HN 0.147 nan 8.210 nan 0.000 0.410 131 I N 0.756 121.274 120.570 -0.088 0.000 2.454 131 I HA -0.263 3.906 4.170 -0.001 0.000 0.254 131 I C 2.633 178.806 176.117 0.092 0.000 1.156 131 I CA 1.415 62.643 61.300 -0.120 0.000 1.433 131 I CB -0.384 37.535 38.000 -0.135 0.000 1.082 131 I HN 0.331 nan 8.210 nan 0.000 0.432 132 S N 1.030 116.780 115.700 0.084 0.000 2.465 132 S HA -0.187 4.282 4.470 -0.001 0.000 0.241 132 S C 1.970 176.654 174.600 0.140 0.000 1.000 132 S CA 0.754 59.048 58.200 0.157 0.000 0.964 132 S CB -0.479 62.766 63.200 0.075 0.000 0.763 132 S HN 0.442 nan 8.310 nan 0.000 0.512 133 R N 0.926 121.460 120.500 0.055 0.000 2.120 133 R HA 0.012 4.352 4.340 -0.001 0.000 0.234 133 R C 2.475 178.772 176.300 -0.005 0.000 1.123 133 R CA 1.161 57.271 56.100 0.017 0.000 0.975 133 R CB -0.820 29.470 30.300 -0.017 0.000 0.866 133 R HN 0.589 nan 8.270 nan 0.000 0.446 134 G N -0.843 107.938 108.800 -0.032 0.000 2.744 134 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.211 134 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.211 134 G C 0.507 175.086 174.900 -0.535 0.000 1.143 134 G CA 0.113 45.057 45.100 -0.261 0.000 0.788 134 G HN 0.212 nan 8.290 nan 0.000 0.534 135 F N 1.180 121.169 119.950 0.066 0.000 2.791 135 F HA 0.224 4.750 4.527 -0.001 0.000 0.316 135 F C 1.249 177.078 175.800 0.049 0.000 1.134 135 F CA -0.797 57.245 58.000 0.070 0.000 1.222 135 F CB 0.042 39.087 39.000 0.076 0.000 1.034 135 F HN -0.055 nan 8.300 nan 0.000 0.516 136 T N -2.472 112.155 114.554 0.122 0.000 2.856 136 T HA 0.105 4.455 4.350 -0.001 0.000 0.306 136 T C -1.572 173.176 174.700 0.080 0.000 1.062 136 T CA -1.263 60.891 62.100 0.089 0.000 1.083 136 T CB 1.058 69.956 68.868 0.050 0.000 0.984 136 T HN -0.142 nan 8.240 nan 0.000 0.542 137 P HA -0.092 nan 4.420 nan 0.000 0.216 137 P C 1.702 179.031 177.300 0.049 0.000 1.150 137 P CA 0.822 63.959 63.100 0.061 0.000 0.843 137 P CB 0.054 31.782 31.700 0.047 0.000 0.787 138 R N 0.017 120.539 120.500 0.037 0.000 2.066 138 R HA 0.001 4.340 4.340 -0.001 0.000 0.232 138 R C 2.138 178.454 176.300 0.026 0.000 1.131 138 R CA 1.727 57.844 56.100 0.028 0.000 0.955 138 R CB -1.437 28.875 30.300 0.020 0.000 0.851 138 R HN 0.034 nan 8.270 nan 0.000 0.432 139 A N -0.416 122.414 122.820 0.017 0.000 1.908 139 A HA -0.131 4.189 4.320 -0.001 0.000 0.218 139 A C 2.295 179.881 177.584 0.005 0.000 1.181 139 A CA 1.936 53.970 52.037 -0.006 0.000 0.627 139 A CB -0.726 18.247 19.000 -0.046 0.000 0.818 139 A HN 0.200 nan 8.150 nan 0.000 0.445 140 V N -0.425 119.508 119.914 0.031 0.000 2.407 140 V HA -0.077 4.043 4.120 -0.001 0.000 0.245 140 V C 2.826 178.971 176.094 0.084 0.000 1.041 140 V CA 1.637 63.974 62.300 0.062 0.000 1.040 140 V CB -1.322 30.565 31.823 0.106 0.000 0.671 140 V HN 0.611 nan 8.190 nan 0.000 0.455 141 G N -0.014 108.833 108.800 0.078 0.000 2.469 141 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.219 141 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.219 141 G C 1.702 176.658 174.900 0.094 0.000 1.150 141 G CA 0.885 46.034 45.100 0.082 0.000 0.763 141 G HN 0.419 nan 8.290 nan 0.000 0.561 142 R N -0.333 120.208 120.500 0.068 0.000 2.200 142 R HA 0.041 4.380 4.340 -0.001 0.000 0.234 142 R C 2.259 178.608 176.300 0.082 0.000 1.127 142 R CA 0.717 56.856 56.100 0.065 0.000 0.989 142 R CB -0.276 30.049 30.300 0.041 0.000 0.869 142 R HN 0.386 nan 8.270 nan 0.000 0.459 143 L N -0.560 120.718 121.223 0.091 0.000 2.558 143 L HA -0.037 4.303 4.340 -0.001 0.000 0.225 143 L C 2.382 179.313 176.870 0.103 0.000 1.128 143 L CA 0.180 55.071 54.840 0.085 0.000 0.868 143 L CB -0.560 41.542 42.059 0.071 0.000 1.006 143 L HN 0.299 nan 8.230 nan 0.000 0.454 144 H N 1.565 120.665 119.070 0.050 0.000 2.289 144 H HA -0.221 4.335 4.556 -0.001 0.000 0.296 144 H C 1.305 176.664 175.328 0.052 0.000 1.091 144 H CA 2.415 58.497 56.048 0.056 0.000 1.274 144 H CB 0.256 30.051 29.762 0.055 0.000 1.364 144 H HN 0.315 nan 8.280 nan 0.000 0.490 145 D N 0.238 120.735 120.400 0.161 0.000 2.117 145 D HA -0.160 4.479 4.640 -0.001 0.000 0.198 145 D C 2.374 178.673 176.300 -0.002 0.000 0.982 145 D CA 1.499 55.554 54.000 0.093 0.000 0.828 145 D CB -0.353 40.532 40.800 0.142 0.000 0.967 145 D HN 0.774 nan 8.370 nan 0.000 0.464 146 E N 0.829 121.038 120.200 0.015 0.000 2.106 146 E HA -0.130 4.219 4.350 -0.001 0.000 0.192 146 E C 2.194 178.783 176.600 -0.018 0.000 0.984 146 E CA 0.653 57.057 56.400 0.007 0.000 0.806 146 E CB -0.556 29.160 29.700 0.026 0.000 0.750 146 E HN 0.264 nan 8.360 nan 0.000 0.458 147 L N 0.743 121.942 121.223 -0.039 0.000 2.156 147 L HA -0.132 4.207 4.340 -0.001 0.000 0.208 147 L C 2.987 179.802 176.870 -0.092 0.000 1.095 147 L CA 1.373 56.183 54.840 -0.051 0.000 0.770 147 L CB -0.412 41.628 42.059 -0.032 0.000 0.914 147 L HN 0.257 nan 8.230 nan 0.000 0.439 148 Q N 0.521 120.214 119.800 -0.178 0.000 2.079 148 Q HA -0.261 4.079 4.340 -0.001 0.000 0.200 148 Q C 2.108 178.073 176.000 -0.058 0.000 0.974 148 Q CA 1.724 57.432 55.803 -0.158 0.000 0.840 148 Q CB 0.049 28.613 28.738 -0.289 0.000 0.898 148 Q HN 0.505 nan 8.270 nan 0.000 0.430 149 E N 0.095 120.270 120.200 -0.042 0.000 2.077 149 E HA -0.284 4.065 4.350 -0.001 0.000 0.193 149 E C 2.101 178.686 176.600 -0.025 0.000 0.989 149 E CA 1.293 57.684 56.400 -0.015 0.000 0.800 149 E CB -0.064 29.635 29.700 -0.003 0.000 0.746 149 E HN 0.162 nan 8.360 nan 0.000 0.452 150 R N 0.619 121.102 120.500 -0.029 0.000 2.075 150 R HA -0.036 4.303 4.340 -0.001 0.000 0.232 150 R C 2.097 178.364 176.300 -0.055 0.000 1.126 150 R CA 1.675 57.755 56.100 -0.033 0.000 0.963 150 R CB -0.714 29.577 30.300 -0.016 0.000 0.858 150 R HN 0.228 nan 8.270 nan 0.000 0.435 151 A N 0.469 123.259 122.820 -0.051 0.000 1.908 151 A HA -0.181 4.138 4.320 -0.001 0.000 0.218 151 A C 2.019 179.565 177.584 -0.064 0.000 1.181 151 A CA 1.474 53.478 52.037 -0.056 0.000 0.627 151 A CB -0.506 18.480 19.000 -0.023 0.000 0.818 151 A HN 0.421 nan 8.150 nan 0.000 0.445 152 Q N -0.504 119.274 119.800 -0.036 0.000 2.079 152 Q HA -0.167 4.173 4.340 -0.001 0.000 0.200 152 Q C 2.079 177.956 176.000 -0.205 0.000 0.974 152 Q CA 1.783 57.560 55.803 -0.044 0.000 0.840 152 Q CB -0.305 28.467 28.738 0.057 0.000 0.898 152 Q HN 0.765 nan 8.270 nan 0.000 0.430 153 K N 0.640 120.957 120.400 -0.139 0.000 2.057 153 K HA -0.082 4.237 4.320 -0.001 0.000 0.207 153 K C 2.153 178.639 176.600 -0.191 0.000 1.049 153 K CA 0.738 56.934 56.287 -0.152 0.000 0.931 153 K CB -0.103 32.346 32.500 -0.086 0.000 0.714 153 K HN 0.070 nan 8.250 nan 0.000 0.440 154 I N 0.635 121.103 120.570 -0.170 0.000 2.118 154 I HA -0.330 3.840 4.170 -0.001 0.000 0.241 154 I C 2.384 178.341 176.117 -0.266 0.000 1.070 154 I CA 1.544 62.728 61.300 -0.193 0.000 1.327 154 I CB -0.332 37.563 38.000 -0.175 0.000 1.034 154 I HN 0.261 nan 8.210 nan 0.000 0.405 155 A N 0.345 122.992 122.820 -0.288 0.000 1.897 155 A HA -0.049 4.271 4.320 -0.001 0.000 0.215 155 A C 2.521 179.864 177.584 -0.403 0.000 1.181 155 A CA 1.493 53.348 52.037 -0.303 0.000 0.620 155 A CB -0.812 18.102 19.000 -0.145 0.000 0.821 155 A HN 0.424 nan 8.150 nan 0.000 0.443 156 A N 0.097 122.527 122.820 -0.650 0.000 1.908 156 A HA -0.208 4.111 4.320 -0.001 0.000 0.218 156 A C 1.913 179.345 177.584 -0.252 0.000 1.181 156 A CA 1.770 53.491 52.037 -0.526 0.000 0.627 156 A CB -0.569 18.107 19.000 -0.539 0.000 0.818 156 A HN 0.635 nan 8.150 nan 0.000 0.445 157 E N -0.369 119.691 120.200 -0.233 0.000 2.077 157 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 157 E C 2.327 178.810 176.600 -0.196 0.000 0.989 157 E CA 0.896 57.196 56.400 -0.166 0.000 0.800 157 E CB -0.283 29.334 29.700 -0.138 0.000 0.746 157 E HN 0.627 nan 8.360 nan 0.000 0.452 158 A N 1.559 124.191 122.820 -0.313 0.000 1.877 158 A HA -0.104 4.215 4.320 -0.001 0.000 0.216 158 A C 2.421 179.694 177.584 -0.520 0.000 1.186 158 A CA 1.626 53.355 52.037 -0.514 0.000 0.620 158 A CB -0.697 17.803 19.000 -0.833 0.000 0.822 158 A HN 0.290 nan 8.150 nan 0.000 0.443 159 A N -0.124 122.480 122.820 -0.360 0.000 1.940 159 A HA 0.107 4.427 4.320 -0.001 0.000 0.219 159 A C 2.428 180.014 177.584 0.002 0.000 1.176 159 A CA 2.147 54.117 52.037 -0.111 0.000 0.631 159 A CB -0.923 18.082 19.000 0.007 0.000 0.814 159 A HN 1.120 nan 8.150 nan 0.000 0.446 160 A N -0.617 122.183 122.820 -0.034 0.000 2.066 160 A HA 0.311 4.631 4.320 -0.001 0.000 0.218 160 A C 2.261 179.861 177.584 0.027 0.000 1.157 160 A CA 1.518 53.557 52.037 0.003 0.000 0.670 160 A CB -0.639 18.350 19.000 -0.018 0.000 0.804 160 A HN 1.013 nan 8.150 nan 0.000 0.453 161 A N -1.784 121.057 122.820 0.035 0.000 2.119 161 A HA 0.365 4.685 4.320 -0.001 0.000 0.216 161 A C 2.186 179.855 177.584 0.141 0.000 1.152 161 A CA 1.385 53.472 52.037 0.083 0.000 0.708 161 A CB -0.836 18.223 19.000 0.098 0.000 0.805 161 A HN 1.728 nan 8.150 nan 0.000 0.460 162 G N -0.693 108.228 108.800 0.202 0.000 3.078 162 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.227 162 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.227 162 G C 0.629 175.627 174.900 0.164 0.000 1.306 162 G CA 1.208 46.417 45.100 0.180 0.000 0.841 162 G HN 2.050 nan 8.290 nan 0.000 0.530 163 S N -1.191 114.553 115.700 0.073 0.000 2.607 163 S HA 0.962 5.432 4.470 -0.001 0.000 0.273 163 S C -0.093 174.445 174.600 -0.103 0.000 1.148 163 S CA 0.525 58.583 58.200 -0.235 0.000 0.833 163 S CB 2.024 65.101 63.200 -0.205 0.000 1.130 163 S HN 2.493 nan 8.310 nan 0.000 0.470 164 G N 0.234 108.883 108.800 -0.253 0.000 2.333 164 G HA2 0.349 4.308 3.960 -0.001 0.000 0.288 164 G HA3 0.349 4.308 3.960 -0.001 0.000 0.288 164 G C -2.213 172.678 174.900 -0.014 0.000 1.286 164 G CA -0.445 44.642 45.100 -0.022 0.000 0.865 164 G HN 0.860 nan 8.290 nan 0.000 0.506 165 D N -0.179 120.281 120.400 0.100 0.000 2.365 165 D HA 0.353 4.993 4.640 -0.001 0.000 0.237 165 D C 1.120 177.576 176.300 0.261 0.000 1.190 165 D CA -0.687 53.414 54.000 0.169 0.000 0.867 165 D CB 0.434 41.353 40.800 0.198 0.000 1.050 165 D HN 0.252 nan 8.370 nan 0.000 0.491 166 F N 3.791 123.817 119.950 0.125 0.000 2.192 166 F HA -0.243 4.284 4.527 -0.001 0.000 0.301 166 F C 1.717 177.628 175.800 0.185 0.000 1.079 166 F CA 1.293 59.412 58.000 0.198 0.000 1.303 166 F CB 0.195 39.281 39.000 0.145 0.000 1.024 166 F HN 0.312 nan 8.300 nan 0.000 0.494 167 V N 0.294 120.445 119.914 0.394 0.000 2.307 167 V HA -0.295 3.825 4.120 -0.001 0.000 0.245 167 V C 2.397 178.531 176.094 0.067 0.000 1.045 167 V CA 2.303 64.745 62.300 0.236 0.000 1.024 167 V CB -0.732 31.214 31.823 0.204 0.000 0.651 167 V HN 0.445 nan 8.190 nan 0.000 0.449 168 E N -0.065 120.196 120.200 0.102 0.000 2.072 168 E HA -0.231 4.118 4.350 -0.001 0.000 0.190 168 E C 2.189 178.774 176.600 -0.024 0.000 0.982 168 E CA 1.318 57.751 56.400 0.055 0.000 0.803 168 E CB -0.003 29.768 29.700 0.118 0.000 0.755 168 E HN 0.695 nan 8.360 nan 0.000 0.453 169 Q N -0.545 119.232 119.800 -0.038 0.000 2.354 169 Q HA 0.015 4.354 4.340 -0.001 0.000 0.203 169 Q C 1.791 177.618 176.000 -0.289 0.000 0.933 169 Q CA 0.694 56.427 55.803 -0.118 0.000 0.901 169 Q CB 1.020 29.731 28.738 -0.045 0.000 1.007 169 Q HN 0.175 nan 8.270 nan 0.000 0.495 170 V N -1.514 118.119 119.914 -0.468 0.000 3.250 170 V HA 0.020 4.139 4.120 -0.001 0.000 0.240 170 V C 1.597 177.388 176.094 -0.505 0.000 1.275 170 V CA 0.718 62.619 62.300 -0.665 0.000 1.206 170 V CB 0.965 31.994 31.823 -1.325 0.000 0.976 170 V HN 0.077 nan 8.190 nan 0.000 0.467 171 S N -0.790 114.670 115.700 -0.400 0.000 2.439 171 S HA -0.141 4.328 4.470 -0.001 0.000 0.224 171 S C 1.859 176.382 174.600 -0.129 0.000 1.029 171 S CA 1.248 59.342 58.200 -0.176 0.000 0.946 171 S CB -0.181 63.029 63.200 0.016 0.000 0.797 171 S HN 0.634 nan 8.310 nan 0.000 0.504 172 C N 2.003 121.226 119.300 -0.129 0.000 2.466 172 C HA 0.035 4.494 4.460 -0.001 0.000 0.278 172 C C 2.627 177.508 174.990 -0.182 0.000 1.288 172 C CA 1.021 59.962 59.018 -0.128 0.000 1.722 172 C CB -0.932 26.750 27.740 -0.096 0.000 2.017 172 C HN 0.704 nan 8.230 nan 0.000 0.488 173 E N -0.355 119.740 120.200 -0.174 0.000 2.051 173 E HA -0.164 4.186 4.350 -0.001 0.000 0.189 173 E C 2.041 178.517 176.600 -0.208 0.000 0.979 173 E CA 0.894 57.176 56.400 -0.196 0.000 0.803 173 E CB -0.240 29.398 29.700 -0.105 0.000 0.761 173 E HN 0.524 nan 8.360 nan 0.000 0.451 174 L N 1.057 122.192 121.223 -0.146 0.000 2.046 174 L HA -0.074 4.266 4.340 -0.001 0.000 0.208 174 L C -1.068 175.743 176.870 -0.098 0.000 1.077 174 L CA 1.760 56.539 54.840 -0.101 0.000 0.747 174 L CB -0.867 41.148 42.059 -0.074 0.000 0.896 174 L HN 0.132 nan 8.230 nan 0.000 0.432 175 P HA -0.156 nan 4.420 nan 0.000 0.216 175 P C 2.041 179.251 177.300 -0.150 0.000 1.150 175 P CA 1.407 64.457 63.100 -0.082 0.000 0.837 175 P CB 0.038 31.693 31.700 -0.074 0.000 0.786 176 L N -0.965 120.057 121.223 -0.336 0.000 2.056 176 L HA -0.177 4.163 4.340 -0.001 0.000 0.207 176 L C 2.553 179.209 176.870 -0.356 0.000 1.078 176 L CA 1.286 55.757 54.840 -0.615 0.000 0.749 176 L CB -0.898 40.282 42.059 -1.466 0.000 0.901 176 L HN -0.025 nan 8.230 nan 0.000 0.433 177 Q N -0.220 119.459 119.800 -0.202 0.000 2.226 177 Q HA -0.154 4.185 4.340 -0.001 0.000 0.204 177 Q C 2.368 178.413 176.000 0.075 0.000 0.975 177 Q CA 1.532 57.389 55.803 0.090 0.000 0.866 177 Q CB -0.317 28.468 28.738 0.078 0.000 0.915 177 Q HN 0.546 nan 8.270 nan 0.000 0.440 178 A N 0.904 123.739 122.820 0.025 0.000 1.898 178 A HA -0.132 4.187 4.320 -0.001 0.000 0.216 178 A C 2.166 179.795 177.584 0.074 0.000 1.181 178 A CA 0.947 53.016 52.037 0.054 0.000 0.620 178 A CB -0.570 18.463 19.000 0.056 0.000 0.819 178 A HN 0.278 nan 8.150 nan 0.000 0.442 179 I N -0.231 120.378 120.570 0.065 0.000 2.179 179 I HA -0.278 3.892 4.170 -0.001 0.000 0.242 179 I C 2.976 179.167 176.117 0.122 0.000 1.088 179 I CA 1.131 62.478 61.300 0.080 0.000 1.357 179 I CB -0.306 37.724 38.000 0.051 0.000 1.051 179 I HN 0.349 nan 8.210 nan 0.000 0.409 180 A N 0.745 123.676 122.820 0.186 0.000 1.933 180 A HA -0.122 4.197 4.320 -0.001 0.000 0.218 180 A C 2.413 180.083 177.584 0.143 0.000 1.175 180 A CA 1.888 54.046 52.037 0.202 0.000 0.628 180 A CB -1.402 17.772 19.000 0.289 0.000 0.814 180 A HN 0.477 nan 8.150 nan 0.000 0.444 181 G N -0.316 108.556 108.800 0.121 0.000 2.402 181 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.216 181 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.216 181 G C 1.462 176.412 174.900 0.083 0.000 1.162 181 G CA 1.095 46.250 45.100 0.090 0.000 0.777 181 G HN 0.418 nan 8.290 nan 0.000 0.539 182 L N 0.378 121.648 121.223 0.078 0.000 2.043 182 L HA 0.050 4.389 4.340 -0.001 0.000 0.212 182 L C 2.444 179.380 176.870 0.110 0.000 1.075 182 L CA 1.484 56.359 54.840 0.059 0.000 0.752 182 L CB -0.273 41.804 42.059 0.030 0.000 0.891 182 L HN 0.196 nan 8.230 nan 0.000 0.432 183 L N -0.770 120.545 121.223 0.154 0.000 2.592 183 L HA 0.239 4.578 4.340 -0.001 0.000 0.227 183 L C 1.192 178.181 176.870 0.199 0.000 1.127 183 L CA 0.350 55.332 54.840 0.235 0.000 0.884 183 L CB -0.787 41.426 42.059 0.258 0.000 1.065 183 L HN 0.487 nan 8.230 nan 0.000 0.457 184 G N 1.361 110.244 108.800 0.138 0.000 2.366 184 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.299 184 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.299 184 G C 0.111 175.089 174.900 0.130 0.000 1.020 184 G CA 0.025 45.191 45.100 0.110 0.000 1.026 184 G HN 0.132 nan 8.290 nan 0.000 0.512 185 V N 1.585 121.588 119.914 0.148 0.000 2.470 185 V HA 0.242 4.361 4.120 -0.001 0.000 0.276 185 V C -1.050 175.099 176.094 0.091 0.000 1.040 185 V CA -1.176 61.223 62.300 0.164 0.000 1.008 185 V CB 1.093 33.000 31.823 0.140 0.000 0.990 185 V HN 0.282 nan 8.190 nan 0.000 0.477 186 P HA 0.008 nan 4.420 nan 0.000 0.266 186 P C 0.577 177.871 177.300 -0.009 0.000 1.193 186 P CA 0.064 63.191 63.100 0.046 0.000 0.770 186 P CB 0.561 32.297 31.700 0.060 0.000 0.836 187 Q N 2.699 122.485 119.800 -0.024 0.000 2.112 187 Q HA -0.248 4.092 4.340 -0.001 0.000 0.206 187 Q C 1.685 177.621 176.000 -0.106 0.000 0.987 187 Q CA 1.945 57.709 55.803 -0.064 0.000 0.858 187 Q CB -0.416 28.297 28.738 -0.041 0.000 0.905 187 Q HN 0.542 nan 8.270 nan 0.000 0.420 188 E N -0.966 119.190 120.200 -0.074 0.000 2.478 188 E HA -0.138 4.212 4.350 -0.001 0.000 0.198 188 E C 0.189 176.714 176.600 -0.126 0.000 1.046 188 E CA 1.000 57.347 56.400 -0.088 0.000 0.870 188 E CB 0.117 29.788 29.700 -0.048 0.000 0.818 188 E HN 0.367 nan 8.360 nan 0.000 0.527 189 D N 0.791 121.111 120.400 -0.134 0.000 2.379 189 D HA 0.117 4.756 4.640 -0.001 0.000 0.208 189 D C 1.618 177.676 176.300 -0.404 0.000 1.065 189 D CA -0.034 53.846 54.000 -0.199 0.000 0.848 189 D CB 0.131 40.916 40.800 -0.025 0.000 0.949 189 D HN 0.160 nan 8.370 nan 0.000 0.509 190 R N 0.322 120.551 120.500 -0.451 0.000 2.115 190 R HA 0.021 4.361 4.340 -0.001 0.000 0.226 190 R C 2.175 177.830 176.300 -1.074 0.000 1.100 190 R CA 1.141 56.736 56.100 -0.841 0.000 0.980 190 R CB -0.217 29.571 30.300 -0.853 0.000 0.875 190 R HN 0.087 nan 8.270 nan 0.000 0.445 191 G N 2.529 110.942 108.800 -0.646 0.000 2.402 191 G HA2 -0.309 3.650 3.960 -0.001 0.000 0.216 191 G HA3 -0.309 3.650 3.960 -0.001 0.000 0.216 191 G C 1.350 175.977 174.900 -0.455 0.000 1.162 191 G CA 1.001 45.821 45.100 -0.467 0.000 0.777 191 G HN 0.378 nan 8.290 nan 0.000 0.539 192 K N 0.027 120.075 120.400 -0.588 0.000 2.057 192 K HA 0.070 4.389 4.320 -0.001 0.000 0.206 192 K C 2.383 178.288 176.600 -1.158 0.000 1.050 192 K CA 1.280 57.034 56.287 -0.889 0.000 0.935 192 K CB -0.510 31.403 32.500 -0.979 0.000 0.715 192 K HN 0.263 nan 8.250 nan 0.000 0.439 193 L N 0.688 121.397 121.223 -0.857 0.000 2.042 193 L HA -0.123 4.216 4.340 -0.001 0.000 0.210 193 L C 2.130 178.998 176.870 -0.004 0.000 1.076 193 L CA 1.581 56.182 54.840 -0.397 0.000 0.749 193 L CB -0.360 41.544 42.059 -0.257 0.000 0.893 193 L HN 0.109 nan 8.230 nan 0.000 0.432 194 F N -0.815 119.019 119.950 -0.194 0.000 2.146 194 F HA -0.142 4.384 4.527 -0.001 0.000 0.298 194 F C 2.645 178.399 175.800 -0.076 0.000 1.096 194 F CA 1.376 59.316 58.000 -0.099 0.000 1.275 194 F CB -1.502 37.447 39.000 -0.085 0.000 1.008 194 F HN 0.340 nan 8.300 nan 0.000 0.480 195 H N -0.781 118.265 119.070 -0.040 0.000 2.319 195 H HA -0.228 4.327 4.556 -0.001 0.000 0.297 195 H C 2.079 177.437 175.328 0.050 0.000 1.097 195 H CA 2.580 58.586 56.048 -0.070 0.000 1.285 195 H CB -0.326 29.310 29.762 -0.210 0.000 1.368 195 H HN 0.066 nan 8.280 nan 0.000 0.495 196 W N 0.462 121.763 121.300 0.001 0.000 2.379 196 W HA -0.066 4.594 4.660 -0.000 0.000 0.307 196 W C 2.829 179.298 176.519 -0.083 0.000 1.200 196 W CA 1.257 58.560 57.345 -0.069 0.000 1.297 196 W CB -1.227 28.226 29.460 -0.013 0.000 1.140 196 W HN 0.222 nan 8.180 nan 0.000 0.507 197 S N 0.644 116.471 115.700 0.212 0.000 2.383 197 S HA -0.177 4.292 4.470 -0.001 0.000 0.229 197 S C 1.483 176.090 174.600 0.011 0.000 1.030 197 S CA 1.436 59.698 58.200 0.103 0.000 1.002 197 S CB -0.423 62.834 63.200 0.095 0.000 0.829 197 S HN 0.234 nan 8.310 nan 0.000 0.467 198 N N 1.203 119.883 118.700 -0.032 0.000 2.494 198 N HA 0.008 4.748 4.740 -0.001 0.000 0.182 198 N C 1.099 176.520 175.510 -0.147 0.000 1.076 198 N CA 0.500 53.489 53.050 -0.102 0.000 0.908 198 N CB -0.078 38.353 38.487 -0.093 0.000 0.967 198 N HN 0.574 nan 8.380 nan 0.000 0.449 199 E N -0.518 119.605 120.200 -0.127 0.000 2.479 199 E HA 0.150 4.500 4.350 -0.001 0.000 0.193 199 E C 1.090 177.656 176.600 -0.057 0.000 1.049 199 E CA 0.073 56.401 56.400 -0.121 0.000 0.870 199 E CB 0.240 29.861 29.700 -0.131 0.000 0.944 199 E HN 0.336 nan 8.360 nan 0.000 0.492 200 M N 0.238 119.824 119.600 -0.023 0.000 2.441 200 M HA 0.049 4.528 4.480 -0.001 0.000 0.244 200 M C 0.182 176.516 176.300 0.057 0.000 1.122 200 M CA 0.589 55.903 55.300 0.023 0.000 1.041 200 M CB 0.810 33.436 32.600 0.044 0.000 1.438 200 M HN -0.197 nan 8.290 nan 0.000 0.484 201 T N 1.298 115.871 114.554 0.032 0.000 2.811 201 T HA 0.381 4.731 4.350 -0.001 0.000 0.309 201 T C 0.472 175.205 174.700 0.056 0.000 1.005 201 T CA -0.438 61.713 62.100 0.085 0.000 0.955 201 T CB 0.758 69.644 68.868 0.029 0.000 0.970 201 T HN 0.363 nan 8.240 nan 0.000 0.496 202 G N 3.353 112.239 108.800 0.143 0.000 2.491 202 G HA2 0.456 4.416 3.960 -0.001 0.000 0.242 202 G HA3 0.456 4.416 3.960 -0.001 0.000 0.242 202 G C -0.052 174.925 174.900 0.128 0.000 1.266 202 G CA -0.641 44.542 45.100 0.138 0.000 0.844 202 G HN 0.815 nan 8.290 nan 0.000 0.571 203 N N -1.230 117.527 118.700 0.094 0.000 2.825 203 N HA 0.251 4.991 4.740 -0.001 0.000 0.253 203 N C -0.517 175.057 175.510 0.107 0.000 1.426 203 N CA -0.891 52.204 53.050 0.075 0.000 0.851 203 N CB 1.506 40.009 38.487 0.026 0.000 1.470 203 N HN 0.365 nan 8.380 nan 0.000 0.517 204 E N -0.882 119.373 120.200 0.091 0.000 2.423 204 E HA 0.072 4.421 4.350 -0.001 0.000 0.198 204 E C -0.946 175.704 176.600 0.084 0.000 1.038 204 E CA -0.185 56.269 56.400 0.090 0.000 1.011 204 E CB 0.131 29.878 29.700 0.078 0.000 1.118 204 E HN 0.419 nan 8.360 nan 0.000 0.451 205 D N 1.523 121.993 120.400 0.117 0.000 2.264 205 D HA 0.059 4.699 4.640 -0.001 0.000 0.250 205 D C -1.532 174.793 176.300 0.042 0.000 1.113 205 D CA -2.134 51.919 54.000 0.089 0.000 0.871 205 D CB 1.691 42.582 40.800 0.150 0.000 1.167 205 D HN -0.056 nan 8.370 nan 0.000 0.447 206 P HA -0.127 nan 4.420 nan 0.000 0.222 206 P C 0.987 178.256 177.300 -0.052 0.000 1.147 206 P CA 0.760 63.859 63.100 -0.003 0.000 0.790 206 P CB 0.311 32.006 31.700 -0.008 0.000 0.780 207 E N -0.867 119.210 120.200 -0.206 0.000 2.268 207 E HA -0.161 4.188 4.350 -0.001 0.000 0.195 207 E C 0.374 176.734 176.600 -0.400 0.000 0.995 207 E CA 0.783 56.947 56.400 -0.393 0.000 0.836 207 E CB -0.127 29.172 29.700 -0.669 0.000 0.763 207 E HN 0.266 nan 8.360 nan 0.000 0.491 208 Y N -1.452 118.934 120.300 0.143 0.000 2.696 208 Y HA 0.438 4.987 4.550 -0.001 0.000 0.260 208 Y C 1.222 177.095 175.900 -0.044 0.000 1.165 208 Y CA -0.091 58.026 58.100 0.028 0.000 1.189 208 Y CB 0.325 38.766 38.460 -0.032 0.000 1.180 208 Y HN 0.076 nan 8.280 nan 0.000 0.538 209 A N -0.109 122.833 122.820 0.203 0.000 2.168 209 A HA -0.139 4.180 4.320 -0.001 0.000 0.215 209 A C 1.784 179.453 177.584 0.143 0.000 1.152 209 A CA 1.543 53.669 52.037 0.148 0.000 0.716 209 A CB -0.760 18.315 19.000 0.125 0.000 0.794 209 A HN 0.621 nan 8.150 nan 0.000 0.465 210 H N -1.220 117.904 119.070 0.090 0.000 2.553 210 H HA 0.308 4.864 4.556 -0.000 0.000 0.265 210 H C 0.444 175.830 175.328 0.096 0.000 0.964 210 H CA -0.336 55.761 56.048 0.082 0.000 1.156 210 H CB -0.600 29.208 29.762 0.076 0.000 1.411 210 H HN 0.372 nan 8.280 nan 0.000 0.558 211 I N 3.702 124.053 120.570 -0.365 0.000 2.519 211 I HA 0.007 4.176 4.170 -0.001 0.000 0.287 211 I C -0.165 175.923 176.117 -0.049 0.000 1.047 211 I CA -0.370 60.808 61.300 -0.203 0.000 1.381 211 I CB 1.146 39.007 38.000 -0.231 0.000 1.417 211 I HN 0.135 nan 8.210 nan 0.000 0.540 212 D N 7.291 127.686 120.400 -0.008 0.000 2.464 212 D HA 0.249 4.888 4.640 -0.001 0.000 0.243 212 D C -2.156 174.152 176.300 0.014 0.000 1.104 212 D CA -2.118 51.891 54.000 0.015 0.000 0.883 212 D CB 1.490 42.309 40.800 0.031 0.000 1.050 212 D HN 0.129 nan 8.370 nan 0.000 0.524 213 P HA -0.223 nan 4.420 nan 0.000 0.217 213 P C 1.219 178.528 177.300 0.016 0.000 1.151 213 P CA 1.404 64.516 63.100 0.020 0.000 0.849 213 P CB 0.381 32.107 31.700 0.044 0.000 0.787 214 K N -0.556 119.855 120.400 0.019 0.000 2.063 214 K HA -0.104 4.216 4.320 -0.001 0.000 0.208 214 K C 2.212 178.805 176.600 -0.011 0.000 1.048 214 K CA 1.596 57.891 56.287 0.012 0.000 0.928 214 K CB -0.613 31.896 32.500 0.016 0.000 0.713 214 K HN 0.073 nan 8.250 nan 0.000 0.442 215 A N 0.891 123.706 122.820 -0.008 0.000 1.898 215 A HA -0.122 4.198 4.320 -0.001 0.000 0.216 215 A C 2.231 179.764 177.584 -0.086 0.000 1.181 215 A CA 1.664 53.685 52.037 -0.027 0.000 0.620 215 A CB -0.507 18.500 19.000 0.012 0.000 0.819 215 A HN 0.156 nan 8.150 nan 0.000 0.442 216 S N -0.439 115.230 115.700 -0.052 0.000 2.382 216 S HA -0.144 4.325 4.470 -0.001 0.000 0.228 216 S C 2.326 176.790 174.600 -0.228 0.000 1.027 216 S CA 1.475 59.609 58.200 -0.109 0.000 0.991 216 S CB -0.312 62.918 63.200 0.051 0.000 0.823 216 S HN 0.677 nan 8.310 nan 0.000 0.469 217 S N 1.183 116.816 115.700 -0.112 0.000 2.368 217 S HA -0.027 4.443 4.470 -0.001 0.000 0.224 217 S C 2.041 176.543 174.600 -0.163 0.000 1.029 217 S CA 1.134 59.279 58.200 -0.092 0.000 0.988 217 S CB -0.394 62.804 63.200 -0.004 0.000 0.838 217 S HN 0.537 nan 8.310 nan 0.000 0.462 218 A N 1.117 123.841 122.820 -0.161 0.000 1.969 218 A HA -0.037 4.283 4.320 -0.001 0.000 0.218 218 A C 2.021 179.428 177.584 -0.296 0.000 1.169 218 A CA 1.347 53.278 52.037 -0.177 0.000 0.635 218 A CB -0.518 18.414 19.000 -0.112 0.000 0.810 218 A HN 0.673 nan 8.150 nan 0.000 0.445 219 E N -0.709 119.202 120.200 -0.481 0.000 2.072 219 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 219 E C 1.937 177.952 176.600 -0.975 0.000 0.985 219 E CA 1.132 57.056 56.400 -0.793 0.000 0.801 219 E CB -0.268 28.666 29.700 -1.276 0.000 0.750 219 E HN 0.493 nan 8.360 nan 0.000 0.452 220 L N 1.416 122.105 121.223 -0.889 0.000 2.046 220 L HA -0.110 4.230 4.340 -0.001 0.000 0.208 220 L C 2.204 178.970 176.870 -0.174 0.000 1.077 220 L CA 1.252 55.829 54.840 -0.438 0.000 0.747 220 L CB -0.371 41.593 42.059 -0.157 0.000 0.896 220 L HN 0.087 nan 8.230 nan 0.000 0.432 221 I N -0.966 119.474 120.570 -0.216 0.000 2.286 221 I HA -0.189 3.981 4.170 -0.001 0.000 0.248 221 I C 2.211 178.240 176.117 -0.147 0.000 1.115 221 I CA 1.453 62.630 61.300 -0.206 0.000 1.392 221 I CB -0.514 37.303 38.000 -0.305 0.000 1.065 221 I HN 0.357 nan 8.210 nan 0.000 0.418 222 G N -0.547 108.163 108.800 -0.150 0.000 2.408 222 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.217 222 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.217 222 G C 1.574 176.473 174.900 -0.001 0.000 1.150 222 G CA 0.911 45.959 45.100 -0.086 0.000 0.776 222 G HN 0.523 nan 8.290 nan 0.000 0.542 223 Y N 1.871 122.117 120.300 -0.090 0.000 2.200 223 Y HA 0.051 4.601 4.550 -0.001 0.000 0.290 223 Y C 2.889 178.852 175.900 0.105 0.000 1.137 223 Y CA 1.479 59.609 58.100 0.050 0.000 1.163 223 Y CB -0.204 38.360 38.460 0.174 0.000 0.988 223 Y HN 0.239 nan 8.280 nan 0.000 0.518 224 A N 0.417 123.394 122.820 0.262 0.000 1.902 224 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 224 A C 2.253 180.013 177.584 0.293 0.000 1.181 224 A CA 1.996 54.203 52.037 0.282 0.000 0.623 224 A CB -0.777 18.257 19.000 0.057 0.000 0.818 224 A HN 0.603 nan 8.150 nan 0.000 0.443 225 M N -0.780 118.892 119.600 0.120 0.000 2.229 225 M HA -0.143 4.336 4.480 -0.001 0.000 0.264 225 M C 2.017 178.327 176.300 0.017 0.000 1.063 225 M CA 1.542 56.892 55.300 0.083 0.000 1.114 225 M CB -0.300 32.293 32.600 -0.012 0.000 1.387 225 M HN 0.321 nan 8.290 nan 0.000 0.420 226 K N 0.108 120.482 120.400 -0.042 0.000 2.148 226 K HA -0.099 4.221 4.320 -0.001 0.000 0.204 226 K C 1.999 178.526 176.600 -0.123 0.000 1.050 226 K CA 1.211 57.441 56.287 -0.095 0.000 0.942 226 K CB -0.185 32.230 32.500 -0.140 0.000 0.724 226 K HN 0.362 nan 8.250 nan 0.000 0.446 227 M N 0.615 120.136 119.600 -0.132 0.000 2.132 227 M HA -0.129 4.351 4.480 -0.001 0.000 0.263 227 M C 2.149 178.352 176.300 -0.161 0.000 1.065 227 M CA 1.569 56.794 55.300 -0.125 0.000 1.122 227 M CB -0.083 32.508 32.600 -0.014 0.000 1.365 227 M HN 0.158 nan 8.290 nan 0.000 0.411 228 A N 0.566 123.287 122.820 -0.166 0.000 1.902 228 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 228 A C 1.828 179.313 177.584 -0.165 0.000 1.181 228 A CA 2.027 53.884 52.037 -0.300 0.000 0.623 228 A CB -0.854 18.042 19.000 -0.175 0.000 0.818 228 A HN 0.702 nan 8.150 nan 0.000 0.443 229 E N -0.303 119.839 120.200 -0.097 0.000 2.077 229 E HA -0.219 4.130 4.350 -0.001 0.000 0.193 229 E C 2.017 178.569 176.600 -0.080 0.000 0.989 229 E CA 1.491 57.847 56.400 -0.074 0.000 0.800 229 E CB -0.202 29.465 29.700 -0.056 0.000 0.746 229 E HN 0.765 nan 8.360 nan 0.000 0.452 230 E N 0.615 120.761 120.200 -0.091 0.000 2.072 230 E HA -0.117 4.232 4.350 -0.001 0.000 0.191 230 E C 2.030 178.579 176.600 -0.084 0.000 0.985 230 E CA 0.622 56.974 56.400 -0.080 0.000 0.801 230 E CB 0.122 29.774 29.700 -0.081 0.000 0.750 230 E HN -0.002 nan 8.360 nan 0.000 0.452 231 K N 0.522 120.852 120.400 -0.116 0.000 2.148 231 K HA -0.011 4.308 4.320 -0.001 0.000 0.204 231 K C 2.042 178.582 176.600 -0.100 0.000 1.050 231 K CA 0.873 57.091 56.287 -0.115 0.000 0.942 231 K CB -0.133 32.266 32.500 -0.167 0.000 0.724 231 K HN 0.075 nan 8.250 nan 0.000 0.446 232 A N 1.692 124.451 122.820 -0.103 0.000 1.972 232 A HA -0.153 4.166 4.320 -0.001 0.000 0.219 232 A C 1.968 179.518 177.584 -0.057 0.000 1.169 232 A CA 1.378 53.369 52.037 -0.078 0.000 0.635 232 A CB -0.181 18.776 19.000 -0.071 0.000 0.810 232 A HN 0.231 nan 8.150 nan 0.000 0.446 233 K N -1.218 119.149 120.400 -0.054 0.000 2.228 233 K HA -0.034 4.286 4.320 -0.001 0.000 0.202 233 K C 0.195 176.772 176.600 -0.038 0.000 1.051 233 K CA 0.870 57.132 56.287 -0.041 0.000 0.960 233 K CB 0.046 32.523 32.500 -0.039 0.000 0.743 233 K HN 0.372 nan 8.250 nan 0.000 0.458 234 N N 0.934 119.608 118.700 -0.043 0.000 2.752 234 N HA 0.154 4.893 4.740 -0.001 0.000 0.260 234 N C -2.933 172.553 175.510 -0.040 0.000 1.562 234 N CA -2.077 50.951 53.050 -0.036 0.000 0.788 234 N CB 0.805 39.272 38.487 -0.032 0.000 1.192 234 N HN -0.155 nan 8.380 nan 0.000 0.503 235 P HA 0.312 nan 4.420 nan 0.000 0.271 235 P C -0.868 176.414 177.300 -0.031 0.000 1.218 235 P CA -0.215 62.860 63.100 -0.042 0.000 0.780 235 P CB 1.308 32.985 31.700 -0.039 0.000 0.901 236 A N 1.346 124.147 122.820 -0.031 0.000 2.530 236 A HA 0.450 4.769 4.320 -0.001 0.000 0.288 236 A C -0.632 176.942 177.584 -0.018 0.000 1.172 236 A CA -0.469 51.555 52.037 -0.021 0.000 0.733 236 A CB 0.805 19.795 19.000 -0.017 0.000 1.320 236 A HN 0.408 nan 8.150 nan 0.000 0.419 237 D N 1.108 121.502 120.400 -0.010 0.000 2.608 237 D HA 0.394 5.034 4.640 -0.001 0.000 0.224 237 D C -0.819 175.478 176.300 -0.003 0.000 1.123 237 D CA 0.159 54.155 54.000 -0.007 0.000 1.030 237 D CB -0.494 40.304 40.800 -0.003 0.000 1.093 237 D HN 0.497 nan 8.370 nan 0.000 0.497 238 D N -0.475 119.920 120.400 -0.007 0.000 2.626 238 D HA 0.103 4.742 4.640 -0.001 0.000 0.278 238 D C 1.063 177.360 176.300 -0.004 0.000 1.211 238 D CA -0.821 53.179 54.000 0.000 0.000 0.903 238 D CB 0.170 40.975 40.800 0.008 0.000 1.408 238 D HN 0.027 nan 8.370 nan 0.000 0.454 239 I N 0.133 120.708 120.570 0.008 0.000 2.252 239 I HA -0.134 4.036 4.170 -0.001 0.000 0.245 239 I C 1.325 177.455 176.117 0.021 0.000 1.102 239 I CA 1.255 62.560 61.300 0.008 0.000 1.385 239 I CB -0.407 37.591 38.000 -0.004 0.000 1.064 239 I HN 0.317 nan 8.210 nan 0.000 0.414 240 V N 1.214 121.149 119.914 0.035 0.000 2.343 240 V HA -0.285 3.834 4.120 -0.001 0.000 0.247 240 V C 2.583 178.591 176.094 -0.143 0.000 1.051 240 V CA 2.521 64.791 62.300 -0.051 0.000 1.036 240 V CB -1.642 30.112 31.823 -0.114 0.000 0.654 240 V HN 0.569 nan 8.190 nan 0.000 0.451 241 T N -0.515 113.982 114.554 -0.096 0.000 2.684 241 T HA -0.273 4.076 4.350 -0.001 0.000 0.267 241 T C 1.945 176.602 174.700 -0.073 0.000 1.036 241 T CA 1.757 63.802 62.100 -0.092 0.000 1.148 241 T CB -0.294 68.538 68.868 -0.059 0.000 0.863 241 T HN 0.555 nan 8.240 nan 0.000 0.436 242 Q N 0.339 120.109 119.800 -0.050 0.000 2.135 242 Q HA -0.048 4.291 4.340 -0.001 0.000 0.204 242 Q C 2.396 178.368 176.000 -0.046 0.000 0.981 242 Q CA 1.174 56.953 55.803 -0.040 0.000 0.856 242 Q CB -0.424 28.296 28.738 -0.029 0.000 0.902 242 Q HN 0.492 nan 8.270 nan 0.000 0.425 243 L N 0.240 121.431 121.223 -0.053 0.000 2.141 243 L HA -0.144 4.195 4.340 -0.001 0.000 0.209 243 L C 1.974 178.816 176.870 -0.047 0.000 1.094 243 L CA 0.560 55.371 54.840 -0.049 0.000 0.763 243 L CB -0.316 41.736 42.059 -0.010 0.000 0.908 243 L HN 0.350 nan 8.230 nan 0.000 0.437 244 I N -3.799 116.716 120.570 -0.092 0.000 3.883 244 I HA 0.126 4.295 4.170 -0.001 0.000 0.326 244 I C 0.583 176.663 176.117 -0.062 0.000 1.283 244 I CA 0.033 61.279 61.300 -0.089 0.000 1.161 244 I CB -0.437 37.458 38.000 -0.175 0.000 1.012 244 I HN 0.056 nan 8.210 nan 0.000 0.421 245 Q N 2.048 121.817 119.800 -0.053 0.000 2.256 245 Q HA 0.727 5.066 4.340 -0.001 0.000 0.257 245 Q C -0.066 175.919 176.000 -0.025 0.000 0.936 245 Q CA -0.763 55.017 55.803 -0.038 0.000 0.903 245 Q CB 2.090 30.805 28.738 -0.037 0.000 1.263 245 Q HN 0.464 nan 8.270 nan 0.000 0.440 246 A N 2.783 125.592 122.820 -0.019 0.000 2.546 246 A HA -0.013 4.306 4.320 -0.001 0.000 0.243 246 A C 0.009 177.586 177.584 -0.012 0.000 1.063 246 A CA -0.006 52.023 52.037 -0.013 0.000 0.757 246 A CB 0.078 19.072 19.000 -0.010 0.000 0.991 246 A HN 0.706 nan 8.150 nan 0.000 0.503 247 D N 0.816 121.209 120.400 -0.010 0.000 2.440 247 D HA 0.217 4.857 4.640 -0.001 0.000 0.269 247 D C 1.707 178.003 176.300 -0.007 0.000 1.249 247 D CA 0.213 54.207 54.000 -0.009 0.000 1.055 247 D CB 0.358 41.153 40.800 -0.008 0.000 1.104 247 D HN 0.462 nan 8.370 nan 0.000 0.561 248 I N -1.709 118.858 120.570 -0.006 0.000 2.567 248 I HA -0.082 4.087 4.170 -0.001 0.000 0.257 248 I C 1.066 177.180 176.117 -0.005 0.000 1.184 248 I CA 1.344 62.641 61.300 -0.005 0.000 1.451 248 I CB -0.170 37.828 38.000 -0.005 0.000 1.089 248 I HN 0.041 nan 8.210 nan 0.000 0.441 249 D N 1.140 121.538 120.400 -0.004 0.000 2.328 249 D HA 0.155 4.795 4.640 -0.001 0.000 0.226 249 D C 1.850 178.149 176.300 -0.002 0.000 1.066 249 D CA 0.992 54.990 54.000 -0.003 0.000 0.861 249 D CB 0.501 41.300 40.800 -0.003 0.000 0.912 249 D HN 0.619 nan 8.370 nan 0.000 0.521 250 G N 1.081 109.879 108.800 -0.003 0.000 2.179 250 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.260 250 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.260 250 G C 0.220 175.120 174.900 -0.000 0.000 0.977 250 G CA -0.131 44.968 45.100 -0.002 0.000 0.641 250 G HN 0.212 nan 8.290 nan 0.000 0.533 251 E N 0.886 121.086 120.200 -0.000 0.000 2.313 251 E HA 0.547 4.897 4.350 -0.001 0.000 0.276 251 E C 0.624 177.225 176.600 0.002 0.000 1.031 251 E CA 0.292 56.694 56.400 0.004 0.000 0.857 251 E CB 1.266 30.968 29.700 0.003 0.000 1.040 251 E HN 0.819 nan 8.360 nan 0.000 0.408 252 K N 0.653 121.059 120.400 0.010 0.000 2.607 252 K HA 0.378 4.697 4.320 -0.001 0.000 0.287 252 K C -0.886 175.733 176.600 0.032 0.000 0.996 252 K CA -0.847 55.445 56.287 0.008 0.000 0.876 252 K CB 0.592 33.091 32.500 -0.002 0.000 1.496 252 K HN 0.211 nan 8.250 nan 0.000 0.415 253 L N 2.533 123.782 121.223 0.044 0.000 2.418 253 L HA 0.154 4.493 4.340 -0.001 0.000 0.274 253 L C 0.263 177.189 176.870 0.093 0.000 1.135 253 L CA -0.375 54.524 54.840 0.098 0.000 0.870 253 L CB 1.095 43.255 42.059 0.167 0.000 1.154 253 L HN 0.703 nan 8.230 nan 0.000 0.462 254 S N 1.700 117.461 115.700 0.101 0.000 2.580 254 S HA -0.063 4.407 4.470 -0.001 0.000 0.261 254 S C 0.805 175.475 174.600 0.117 0.000 1.366 254 S CA -0.610 57.643 58.200 0.088 0.000 0.996 254 S CB 0.615 63.867 63.200 0.088 0.000 0.902 254 S HN 0.602 nan 8.310 nan 0.000 0.566 255 D N 1.461 121.908 120.400 0.079 0.000 2.117 255 D HA -0.119 4.520 4.640 -0.001 0.000 0.197 255 D C 1.733 178.093 176.300 0.100 0.000 0.987 255 D CA 1.290 55.349 54.000 0.098 0.000 0.829 255 D CB -0.412 40.412 40.800 0.039 0.000 0.961 255 D HN 0.677 nan 8.370 nan 0.000 0.460 256 D N 1.019 121.441 120.400 0.035 0.000 2.144 256 D HA -0.170 4.469 4.640 -0.001 0.000 0.200 256 D C 1.538 177.845 176.300 0.011 0.000 0.978 256 D CA 0.864 54.817 54.000 -0.078 0.000 0.833 256 D CB -0.685 40.074 40.800 -0.069 0.000 0.961 256 D HN 0.294 nan 8.370 nan 0.000 0.470 257 E N -0.486 119.836 120.200 0.203 0.000 2.077 257 E HA -0.143 4.207 4.350 -0.001 0.000 0.193 257 E C 1.862 178.638 176.600 0.294 0.000 0.989 257 E CA 0.727 57.314 56.400 0.311 0.000 0.800 257 E CB -0.381 29.478 29.700 0.264 0.000 0.746 257 E HN 0.280 nan 8.360 nan 0.000 0.452 258 F N 1.451 121.486 119.950 0.140 0.000 2.134 258 F HA -0.084 4.442 4.527 -0.001 0.000 0.299 258 F C 2.198 178.110 175.800 0.187 0.000 1.097 258 F CA 1.772 59.890 58.000 0.197 0.000 1.264 258 F CB -0.692 38.382 39.000 0.124 0.000 1.001 258 F HN -0.051 nan 8.300 nan 0.000 0.479 259 G N -0.222 108.535 108.800 -0.072 0.000 2.446 259 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.217 259 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.217 259 G C 1.575 176.307 174.900 -0.281 0.000 1.168 259 G CA 1.028 45.964 45.100 -0.274 0.000 0.771 259 G HN 0.372 nan 8.290 nan 0.000 0.551 260 F N -0.059 119.890 119.950 -0.002 0.000 2.269 260 F HA 0.111 4.638 4.527 -0.001 0.000 0.301 260 F C 2.112 177.951 175.800 0.063 0.000 1.082 260 F CA 0.183 58.203 58.000 0.035 0.000 1.360 260 F CB -0.627 38.424 39.000 0.084 0.000 1.041 260 F HN 0.200 nan 8.300 nan 0.000 0.512 261 F N 0.254 120.231 119.950 0.045 0.000 2.163 261 F HA -0.106 4.421 4.527 -0.001 0.000 0.297 261 F C 2.104 177.861 175.800 -0.072 0.000 1.094 261 F CA 1.111 59.110 58.000 -0.000 0.000 1.290 261 F CB -0.886 38.092 39.000 -0.037 0.000 1.017 261 F HN -0.206 nan 8.300 nan 0.000 0.483 262 V N -0.014 119.581 119.914 -0.532 0.000 2.343 262 V HA -0.276 3.844 4.120 -0.001 0.000 0.247 262 V C 2.521 178.462 176.094 -0.256 0.000 1.051 262 V CA 1.675 63.646 62.300 -0.547 0.000 1.036 262 V CB -0.885 30.674 31.823 -0.439 0.000 0.654 262 V HN 0.288 nan 8.190 nan 0.000 0.451 263 V N -0.327 119.515 119.914 -0.120 0.000 2.332 263 V HA -0.388 3.732 4.120 -0.001 0.000 0.248 263 V C 2.342 178.445 176.094 0.016 0.000 1.055 263 V CA 2.710 65.006 62.300 -0.007 0.000 1.038 263 V CB -0.570 31.311 31.823 0.097 0.000 0.651 263 V HN 0.589 nan 8.190 nan 0.000 0.450 264 M N -0.681 118.932 119.600 0.022 0.000 2.086 264 M HA -0.189 4.291 4.480 -0.001 0.000 0.261 264 M C 2.096 178.391 176.300 -0.008 0.000 1.067 264 M CA 2.051 57.376 55.300 0.042 0.000 1.116 264 M CB -0.194 32.465 32.600 0.098 0.000 1.348 264 M HN 0.251 nan 8.290 nan 0.000 0.407 265 L N 0.147 121.291 121.223 -0.132 0.000 2.131 265 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 265 L C 2.726 179.576 176.870 -0.033 0.000 1.092 265 L CA 1.080 55.857 54.840 -0.105 0.000 0.759 265 L CB -1.104 40.807 42.059 -0.246 0.000 0.903 265 L HN 0.446 nan 8.230 nan 0.000 0.435 266 A N -0.587 122.213 122.820 -0.033 0.000 2.070 266 A HA -0.094 4.226 4.320 -0.001 0.000 0.220 266 A C 2.232 179.833 177.584 0.029 0.000 1.159 266 A CA 1.553 53.596 52.037 0.010 0.000 0.656 266 A CB -0.367 18.654 19.000 0.035 0.000 0.800 266 A HN 0.248 nan 8.150 nan 0.000 0.453 267 V N -1.190 118.755 119.914 0.052 0.000 2.521 267 V HA 0.029 4.149 4.120 -0.001 0.000 0.239 267 V C 2.921 179.080 176.094 0.109 0.000 1.053 267 V CA 1.185 63.540 62.300 0.091 0.000 1.073 267 V CB -1.005 30.901 31.823 0.138 0.000 0.746 267 V HN 0.507 nan 8.190 nan 0.000 0.476 268 A N 0.539 123.425 122.820 0.110 0.000 1.948 268 A HA -0.113 4.207 4.320 -0.001 0.000 0.220 268 A C 2.002 179.651 177.584 0.108 0.000 1.177 268 A CA 2.137 54.252 52.037 0.130 0.000 0.636 268 A CB -0.795 18.269 19.000 0.107 0.000 0.815 268 A HN 0.623 nan 8.150 nan 0.000 0.449 269 G N -1.927 106.919 108.800 0.077 0.000 3.575 269 G HA2 0.239 4.198 3.960 -0.001 0.000 0.273 269 G HA3 0.239 4.198 3.960 -0.001 0.000 0.273 269 G C 0.728 175.650 174.900 0.036 0.000 1.053 269 G CA 0.687 45.833 45.100 0.076 0.000 0.803 269 G HN 0.455 nan 8.290 nan 0.000 0.528 270 N N 0.786 119.494 118.700 0.014 0.000 2.648 270 N HA 0.009 4.748 4.740 -0.001 0.000 0.234 270 N C 1.741 177.225 175.510 -0.042 0.000 1.034 270 N CA 0.550 53.578 53.050 -0.036 0.000 1.205 270 N CB 0.044 38.503 38.487 -0.047 0.000 1.573 270 N HN 0.136 nan 8.380 nan 0.000 0.615 271 E N -0.217 119.955 120.200 -0.047 0.000 2.265 271 E HA -0.118 4.231 4.350 -0.001 0.000 0.196 271 E C 1.570 178.134 176.600 -0.061 0.000 0.996 271 E CA 1.554 57.908 56.400 -0.076 0.000 0.832 271 E CB -0.139 29.490 29.700 -0.119 0.000 0.756 271 E HN 0.669 nan 8.360 nan 0.000 0.491 272 T N -0.813 113.727 114.554 -0.022 0.000 2.668 272 T HA -0.138 4.211 4.350 -0.001 0.000 0.262 272 T C 2.169 176.871 174.700 0.004 0.000 1.045 272 T CA 1.646 63.738 62.100 -0.013 0.000 1.152 272 T CB -0.794 68.100 68.868 0.043 0.000 0.864 272 T HN -0.030 nan 8.240 nan 0.000 0.419 273 T N 1.526 116.103 114.554 0.038 0.000 2.821 273 T HA -0.027 4.322 4.350 -0.001 0.000 0.267 273 T C 2.029 176.754 174.700 0.041 0.000 1.046 273 T CA 1.200 63.338 62.100 0.064 0.000 1.139 273 T CB -0.338 68.579 68.868 0.082 0.000 0.871 273 T HN 0.397 nan 8.240 nan 0.000 0.454 274 R N 1.359 121.860 120.500 0.003 0.000 2.096 274 R HA -0.156 4.183 4.340 -0.001 0.000 0.240 274 R C 2.072 178.387 176.300 0.026 0.000 1.139 274 R CA 1.737 57.834 56.100 -0.005 0.000 0.952 274 R CB -0.299 29.975 30.300 -0.043 0.000 0.854 274 R HN 0.316 nan 8.270 nan 0.000 0.436 275 N N 0.071 118.767 118.700 -0.006 0.000 2.270 275 N HA -0.070 4.669 4.740 -0.001 0.000 0.181 275 N C 1.729 177.247 175.510 0.013 0.000 1.016 275 N CA 1.261 54.302 53.050 -0.015 0.000 0.870 275 N CB -0.059 38.383 38.487 -0.075 0.000 0.979 275 N HN 0.200 nan 8.380 nan 0.000 0.431 276 S N 1.519 117.236 115.700 0.029 0.000 2.359 276 S HA -0.057 4.413 4.470 -0.001 0.000 0.224 276 S C 2.130 176.842 174.600 0.186 0.000 1.035 276 S CA 0.814 59.054 58.200 0.066 0.000 1.018 276 S CB -0.205 63.036 63.200 0.068 0.000 0.876 276 S HN 0.274 nan 8.310 nan 0.000 0.448 277 I N 1.430 122.136 120.570 0.226 0.000 2.179 277 I HA -0.199 3.970 4.170 -0.001 0.000 0.242 277 I C 2.585 178.957 176.117 0.424 0.000 1.088 277 I CA 1.281 62.782 61.300 0.336 0.000 1.357 277 I CB -0.995 37.075 38.000 0.117 0.000 1.051 277 I HN 0.271 nan 8.210 nan 0.000 0.409 278 T N 0.132 114.875 114.554 0.315 0.000 2.684 278 T HA -0.237 4.112 4.350 -0.001 0.000 0.267 278 T C 1.865 176.562 174.700 -0.005 0.000 1.036 278 T CA 1.457 63.724 62.100 0.278 0.000 1.148 278 T CB -0.300 68.684 68.868 0.193 0.000 0.863 278 T HN 0.422 nan 8.240 nan 0.000 0.436 279 Q N 0.127 119.907 119.800 -0.033 0.000 2.311 279 Q HA 0.092 4.432 4.340 -0.001 0.000 0.203 279 Q C 2.708 178.630 176.000 -0.131 0.000 0.954 279 Q CA 0.831 56.552 55.803 -0.138 0.000 0.885 279 Q CB -0.251 28.426 28.738 -0.102 0.000 0.963 279 Q HN 0.591 nan 8.270 nan 0.000 0.471 280 G N 1.098 109.887 108.800 -0.018 0.000 2.418 280 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.217 280 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.217 280 G C 1.388 176.156 174.900 -0.220 0.000 1.158 280 G CA 0.818 45.795 45.100 -0.204 0.000 0.771 280 G HN 0.207 nan 8.290 nan 0.000 0.545 281 M N 0.167 119.887 119.600 0.201 0.000 2.175 281 M HA 0.226 4.705 4.480 -0.001 0.000 0.264 281 M C 2.484 178.748 176.300 -0.061 0.000 1.063 281 M CA 1.187 56.591 55.300 0.173 0.000 1.119 281 M CB -0.332 32.264 32.600 -0.007 0.000 1.377 281 M HN 0.205 nan 8.290 nan 0.000 0.415 282 M N -0.714 118.667 119.600 -0.365 0.000 2.108 282 M HA -0.180 4.299 4.480 -0.001 0.000 0.261 282 M C 2.156 178.277 176.300 -0.299 0.000 1.066 282 M CA 1.861 56.843 55.300 -0.529 0.000 1.107 282 M CB -0.642 31.497 32.600 -0.769 0.000 1.356 282 M HN 0.445 nan 8.290 nan 0.000 0.406 283 A N -0.116 122.436 122.820 -0.446 0.000 1.902 283 A HA -0.141 4.178 4.320 -0.001 0.000 0.217 283 A C 1.812 179.101 177.584 -0.492 0.000 1.181 283 A CA 1.446 53.025 52.037 -0.763 0.000 0.623 283 A CB -0.913 16.894 19.000 -1.987 0.000 0.818 283 A HN 0.404 nan 8.150 nan 0.000 0.443 284 F N 0.244 120.008 119.950 -0.310 0.000 2.171 284 F HA -0.066 4.461 4.527 -0.001 0.000 0.300 284 F C 2.746 178.499 175.800 -0.078 0.000 1.090 284 F CA 0.510 58.466 58.000 -0.073 0.000 1.293 284 F CB -0.790 38.084 39.000 -0.210 0.000 1.013 284 F HN 0.265 nan 8.300 nan 0.000 0.486 285 A N -0.191 122.664 122.820 0.059 0.000 1.930 285 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 285 A C 2.080 179.673 177.584 0.015 0.000 1.175 285 A CA 1.580 53.646 52.037 0.047 0.000 0.627 285 A CB -0.671 18.418 19.000 0.148 0.000 0.815 285 A HN 0.429 nan 8.150 nan 0.000 0.443 286 E N -1.225 118.939 120.200 -0.060 0.000 2.285 286 E HA -0.070 4.279 4.350 -0.001 0.000 0.194 286 E C -0.323 175.977 176.600 -0.500 0.000 0.997 286 E CA 0.652 56.907 56.400 -0.241 0.000 0.845 286 E CB -0.022 29.514 29.700 -0.274 0.000 0.782 286 E HN 0.818 nan 8.360 nan 0.000 0.491 287 H N -0.648 118.462 119.070 0.067 0.000 2.380 287 H HA 0.125 4.681 4.556 -0.001 0.000 0.231 287 H C -1.996 173.482 175.328 0.250 0.000 1.415 287 H CA -1.689 54.446 56.048 0.144 0.000 1.433 287 H CB 0.846 30.706 29.762 0.163 0.000 1.544 287 H HN 0.033 nan 8.280 nan 0.000 0.503 288 P HA -0.166 nan 4.420 nan 0.000 0.221 288 P C 1.221 178.701 177.300 0.301 0.000 1.150 288 P CA 1.065 64.346 63.100 0.302 0.000 0.800 288 P CB 0.486 32.306 31.700 0.200 0.000 0.787 289 D N 0.047 120.592 120.400 0.241 0.000 2.149 289 D HA -0.222 4.417 4.640 -0.001 0.000 0.198 289 D C 1.639 178.071 176.300 0.219 0.000 0.990 289 D CA 1.262 55.376 54.000 0.189 0.000 0.839 289 D CB -0.795 40.094 40.800 0.148 0.000 0.948 289 D HN 0.137 nan 8.370 nan 0.000 0.460 290 Q N -0.467 119.533 119.800 0.334 0.000 2.123 290 Q HA -0.081 4.259 4.340 -0.001 0.000 0.199 290 Q C 2.051 178.374 176.000 0.539 0.000 0.966 290 Q CA 0.592 56.627 55.803 0.388 0.000 0.845 290 Q CB -0.559 28.431 28.738 0.420 0.000 0.907 290 Q HN 0.629 nan 8.270 nan 0.000 0.439 291 W N 1.628 123.118 121.300 0.316 0.000 2.388 291 W HA -0.163 4.496 4.660 -0.001 0.000 0.294 291 W C 1.223 177.741 176.519 -0.002 0.000 1.212 291 W CA 0.926 58.240 57.345 -0.051 0.000 1.271 291 W CB 0.441 29.904 29.460 0.004 0.000 1.126 291 W HN 0.120 nan 8.180 nan 0.000 0.535 292 E N 0.711 120.913 120.200 0.004 0.000 2.106 292 E HA -0.209 4.140 4.350 -0.001 0.000 0.192 292 E C 2.031 178.553 176.600 -0.131 0.000 0.984 292 E CA 1.038 57.358 56.400 -0.134 0.000 0.806 292 E CB -0.884 28.803 29.700 -0.021 0.000 0.750 292 E HN 0.320 nan 8.360 nan 0.000 0.458 293 L N 0.250 121.462 121.223 -0.019 0.000 2.056 293 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 293 L C 2.367 179.191 176.870 -0.076 0.000 1.078 293 L CA 1.568 56.393 54.840 -0.025 0.000 0.749 293 L CB -0.764 41.317 42.059 0.037 0.000 0.901 293 L HN 0.077 nan 8.230 nan 0.000 0.433 294 Y N 0.466 120.677 120.300 -0.148 0.000 2.145 294 Y HA -0.271 4.278 4.550 -0.001 0.000 0.286 294 Y C 2.468 178.175 175.900 -0.323 0.000 1.145 294 Y CA 2.162 60.146 58.100 -0.193 0.000 1.148 294 Y CB -0.168 38.123 38.460 -0.282 0.000 0.981 294 Y HN 0.150 nan 8.280 nan 0.000 0.507 295 K N 0.111 120.202 120.400 -0.515 0.000 2.103 295 K HA -0.194 4.126 4.320 -0.001 0.000 0.207 295 K C 2.128 178.493 176.600 -0.391 0.000 1.048 295 K CA 1.722 57.680 56.287 -0.549 0.000 0.930 295 K CB -0.125 31.987 32.500 -0.648 0.000 0.716 295 K HN 0.325 nan 8.250 nan 0.000 0.444 296 K N 0.247 120.462 120.400 -0.308 0.000 2.025 296 K HA -0.107 4.213 4.320 -0.001 0.000 0.207 296 K C 2.066 178.540 176.600 -0.211 0.000 1.049 296 K CA 1.676 57.835 56.287 -0.213 0.000 0.933 296 K CB 0.113 32.523 32.500 -0.150 0.000 0.714 296 K HN 0.130 nan 8.250 nan 0.000 0.438 297 V N -1.277 118.491 119.914 -0.244 0.000 3.604 297 V HA 0.150 4.269 4.120 -0.001 0.000 0.277 297 V C -0.435 175.506 176.094 -0.255 0.000 1.399 297 V CA -0.431 61.752 62.300 -0.195 0.000 1.034 297 V CB -0.024 31.726 31.823 -0.121 0.000 0.824 297 V HN 0.251 nan 8.190 nan 0.000 0.439 298 R N 0.103 120.311 120.500 -0.487 0.000 3.158 298 R HA -0.111 4.228 4.340 -0.001 0.000 0.244 298 R C -2.209 173.955 176.300 -0.227 0.000 0.900 298 R CA 0.907 56.615 56.100 -0.653 0.000 0.618 298 R CB -2.805 27.206 30.300 -0.481 0.000 1.061 298 R HN 0.566 nan 8.270 nan 0.000 0.471 299 P HA 0.159 nan 4.420 nan 0.000 0.275 299 P C 0.987 178.336 177.300 0.082 0.000 1.228 299 P CA 0.449 63.550 63.100 0.001 0.000 0.786 299 P CB 0.557 32.266 31.700 0.015 0.000 0.927 300 E N 0.965 121.207 120.200 0.070 0.000 2.338 300 E HA -0.122 4.227 4.350 -0.001 0.000 0.197 300 E C 1.390 178.056 176.600 0.109 0.000 1.007 300 E CA 1.811 58.269 56.400 0.096 0.000 0.849 300 E CB -1.360 28.382 29.700 0.070 0.000 0.774 300 E HN 0.680 nan 8.360 nan 0.000 0.506 301 T N -3.495 111.112 114.554 0.088 0.000 3.081 301 T HA 0.515 4.864 4.350 -0.001 0.000 0.250 301 T C 2.184 176.929 174.700 0.074 0.000 1.100 301 T CA 0.727 62.874 62.100 0.079 0.000 1.038 301 T CB 0.528 69.421 68.868 0.042 0.000 0.962 301 T HN 0.447 nan 8.240 nan 0.000 0.516 302 A N 1.896 124.787 122.820 0.119 0.000 1.898 302 A HA 0.350 4.669 4.320 -0.001 0.000 0.216 302 A C 2.757 180.384 177.584 0.072 0.000 1.181 302 A CA 1.512 53.616 52.037 0.111 0.000 0.620 302 A CB -1.340 17.862 19.000 0.337 0.000 0.819 302 A HN 0.657 nan 8.150 nan 0.000 0.442 303 A N 0.056 122.964 122.820 0.148 0.000 1.908 303 A HA -0.222 4.097 4.320 -0.001 0.000 0.218 303 A C 1.827 179.472 177.584 0.102 0.000 1.181 303 A CA 1.842 53.973 52.037 0.156 0.000 0.627 303 A CB -0.621 18.521 19.000 0.235 0.000 0.818 303 A HN 0.521 nan 8.150 nan 0.000 0.445 304 D N -0.942 119.536 120.400 0.131 0.000 2.144 304 D HA -0.142 4.498 4.640 -0.001 0.000 0.199 304 D C 1.918 178.150 176.300 -0.114 0.000 0.984 304 D CA 1.654 55.717 54.000 0.104 0.000 0.834 304 D CB -0.152 40.825 40.800 0.295 0.000 0.955 304 D HN 0.589 nan 8.370 nan 0.000 0.465 305 E N 0.965 121.120 120.200 -0.075 0.000 2.106 305 E HA -0.107 4.243 4.350 -0.001 0.000 0.192 305 E C 2.176 178.761 176.600 -0.025 0.000 0.984 305 E CA 0.555 56.879 56.400 -0.126 0.000 0.806 305 E CB -0.278 29.263 29.700 -0.266 0.000 0.750 305 E HN 0.262 nan 8.360 nan 0.000 0.458 306 I N -0.468 120.086 120.570 -0.028 0.000 2.208 306 I HA -0.282 3.888 4.170 -0.001 0.000 0.245 306 I C 2.154 178.236 176.117 -0.057 0.000 1.097 306 I CA 0.859 62.157 61.300 -0.004 0.000 1.363 306 I CB -0.192 37.752 38.000 -0.095 0.000 1.051 306 I HN 0.060 nan 8.210 nan 0.000 0.413 307 V N 0.614 120.413 119.914 -0.192 0.000 2.307 307 V HA -0.275 3.844 4.120 -0.001 0.000 0.245 307 V C 2.605 178.423 176.094 -0.462 0.000 1.045 307 V CA 1.952 64.022 62.300 -0.384 0.000 1.024 307 V CB -0.772 30.683 31.823 -0.612 0.000 0.651 307 V HN 0.412 nan 8.190 nan 0.000 0.449 308 R N -0.947 119.194 120.500 -0.600 0.000 2.083 308 R HA -0.233 4.106 4.340 -0.001 0.000 0.237 308 R C 2.334 178.521 176.300 -0.188 0.000 1.137 308 R CA 2.218 58.031 56.100 -0.478 0.000 0.951 308 R CB -0.377 29.635 30.300 -0.479 0.000 0.851 308 R HN 0.687 nan 8.270 nan 0.000 0.434 309 W N 0.750 121.919 121.300 -0.217 0.000 2.358 309 W HA -0.149 4.510 4.660 -0.001 0.000 0.303 309 W C 1.772 178.263 176.519 -0.047 0.000 1.208 309 W CA 1.714 59.040 57.345 -0.032 0.000 1.274 309 W CB -0.149 29.276 29.460 -0.059 0.000 1.138 309 W HN 0.296 nan 8.180 nan 0.000 0.515 310 A N -0.024 122.821 122.820 0.040 0.000 1.970 310 A HA -0.050 4.269 4.320 -0.001 0.000 0.216 310 A C 1.054 178.574 177.584 -0.107 0.000 1.170 310 A CA 1.557 53.562 52.037 -0.053 0.000 0.645 310 A CB -1.233 17.741 19.000 -0.043 0.000 0.816 310 A HN 0.151 nan 8.150 nan 0.000 0.447 311 T N 1.422 115.899 114.554 -0.128 0.000 2.910 311 T HA -0.110 4.240 4.350 -0.001 0.000 0.459 311 T C -1.593 173.028 174.700 -0.133 0.000 0.777 311 T CA 0.821 62.843 62.100 -0.131 0.000 2.387 311 T CB -0.906 67.934 68.868 -0.046 0.000 1.610 311 T HN 0.413 nan 8.240 nan 0.000 0.515 312 P HA 0.013 nan 4.420 nan 0.000 0.218 312 P C 0.557 177.743 177.300 -0.191 0.000 1.149 312 P CA 0.519 63.523 63.100 -0.159 0.000 0.817 312 P CB 0.260 31.879 31.700 -0.136 0.000 0.785 313 V N 0.580 120.382 119.914 -0.186 0.000 2.334 313 V HA 0.056 4.175 4.120 -0.001 0.000 0.267 313 V C 1.502 177.551 176.094 -0.076 0.000 1.040 313 V CA 0.405 62.584 62.300 -0.202 0.000 0.866 313 V CB 0.376 31.977 31.823 -0.371 0.000 1.019 313 V HN 0.069 nan 8.190 nan 0.000 0.468 314 T N 3.523 118.012 114.554 -0.109 0.000 2.746 314 T HA 0.062 4.412 4.350 -0.001 0.000 0.267 314 T C 0.668 175.361 174.700 -0.011 0.000 1.039 314 T CA 1.651 63.741 62.100 -0.017 0.000 1.142 314 T CB 0.106 68.918 68.868 -0.092 0.000 0.866 314 T HN 0.886 nan 8.240 nan 0.000 0.444 315 A N 0.009 122.737 122.820 -0.154 0.000 2.566 315 A HA 0.636 4.956 4.320 -0.001 0.000 0.297 315 A C -1.823 175.531 177.584 -0.384 0.000 1.059 315 A CA -0.775 50.989 52.037 -0.456 0.000 0.691 315 A CB 0.988 19.574 19.000 -0.690 0.000 1.282 315 A HN 0.109 nan 8.150 nan 0.000 0.401 316 F N 0.711 120.403 119.950 -0.430 0.000 2.579 316 F HA 0.656 5.182 4.527 -0.001 0.000 0.324 316 F C 0.553 176.074 175.800 -0.466 0.000 1.058 316 F CA -0.523 57.277 58.000 -0.333 0.000 0.944 316 F CB 2.353 41.285 39.000 -0.113 0.000 1.245 316 F HN 0.797 nan 8.300 nan 0.000 0.477 317 Q N 1.912 121.592 119.800 -0.201 0.000 2.333 317 Q HA 0.839 5.179 4.340 -0.001 0.000 0.266 317 Q C -1.045 174.827 176.000 -0.214 0.000 1.053 317 Q CA -1.124 54.503 55.803 -0.292 0.000 0.890 317 Q CB 2.577 31.078 28.738 -0.395 0.000 1.337 317 Q HN 0.472 nan 8.270 nan 0.000 0.474 318 R N -0.223 120.187 120.500 -0.151 0.000 2.817 318 R HA 0.600 4.939 4.340 -0.001 0.000 0.268 318 R C -1.142 175.177 176.300 0.033 0.000 1.027 318 R CA -0.829 55.244 56.100 -0.045 0.000 0.928 318 R CB 2.114 32.451 30.300 0.062 0.000 1.228 318 R HN 0.827 nan 8.270 nan 0.000 0.469 319 T N 0.600 115.205 114.554 0.085 0.000 2.824 319 T HA 0.531 4.881 4.350 -0.001 0.000 0.282 319 T C -0.426 174.340 174.700 0.110 0.000 0.993 319 T CA -0.606 61.556 62.100 0.103 0.000 0.967 319 T CB 1.841 70.738 68.868 0.048 0.000 0.960 319 T HN 0.623 nan 8.240 nan 0.000 0.441 320 A N 3.032 125.917 122.820 0.109 0.000 2.450 320 A HA 0.456 4.776 4.320 -0.001 0.000 0.255 320 A C 1.083 178.612 177.584 -0.091 0.000 1.096 320 A CA -0.329 51.631 52.037 -0.127 0.000 0.778 320 A CB -0.132 18.839 19.000 -0.049 0.000 1.031 320 A HN 0.989 nan 8.150 nan 0.000 0.494 321 L N 1.570 122.695 121.223 -0.164 0.000 2.558 321 L HA 0.146 4.485 4.340 -0.001 0.000 0.225 321 L C 1.179 178.011 176.870 -0.063 0.000 1.128 321 L CA 0.515 55.308 54.840 -0.079 0.000 0.868 321 L CB -0.427 41.587 42.059 -0.076 0.000 1.006 321 L HN 0.929 nan 8.230 nan 0.000 0.454 322 R N -2.613 117.832 120.500 -0.091 0.000 2.734 322 R HA 0.348 4.688 4.340 -0.001 0.000 0.271 322 R C -1.455 174.834 176.300 -0.019 0.000 1.021 322 R CA -1.014 55.063 56.100 -0.037 0.000 0.893 322 R CB 0.679 30.964 30.300 -0.025 0.000 1.244 322 R HN -0.293 nan 8.270 nan 0.000 0.464 323 D N 0.903 121.313 120.400 0.016 0.000 2.488 323 D HA 0.068 4.708 4.640 -0.001 0.000 0.238 323 D C -1.099 175.246 176.300 0.075 0.000 1.138 323 D CA 0.992 55.017 54.000 0.042 0.000 0.873 323 D CB 0.364 41.176 40.800 0.022 0.000 1.183 323 D HN 0.436 nan 8.370 nan 0.000 0.458 324 Y N 0.322 120.583 120.300 -0.066 0.000 2.399 324 Y HA 0.159 4.708 4.550 -0.001 0.000 0.327 324 Y C -0.788 175.098 175.900 -0.024 0.000 1.111 324 Y CA -0.848 57.213 58.100 -0.065 0.000 1.047 324 Y CB 1.435 39.815 38.460 -0.134 0.000 1.259 324 Y HN 0.283 nan 8.280 nan 0.000 0.434 325 E N 5.685 125.724 120.200 -0.268 0.000 2.167 325 E HA 0.400 4.750 4.350 -0.001 0.000 0.284 325 E C -1.892 174.638 176.600 -0.117 0.000 1.016 325 E CA -0.724 55.581 56.400 -0.158 0.000 0.817 325 E CB 0.961 30.551 29.700 -0.183 0.000 1.080 325 E HN 0.581 nan 8.360 nan 0.000 0.397 326 L N 4.168 125.415 121.223 0.040 0.000 2.342 326 L HA 0.274 4.614 4.340 -0.001 0.000 0.276 326 L C -0.535 176.326 176.870 -0.015 0.000 0.997 326 L CA 0.020 54.918 54.840 0.096 0.000 0.838 326 L CB 1.254 43.389 42.059 0.126 0.000 1.224 326 L HN 0.646 nan 8.230 nan 0.000 0.416 327 S N 4.007 119.699 115.700 -0.012 0.000 3.559 327 S HA -0.134 4.335 4.470 -0.001 0.000 0.369 327 S C 1.166 175.747 174.600 -0.031 0.000 0.987 327 S CA 1.280 59.470 58.200 -0.017 0.000 1.187 327 S CB -1.710 61.488 63.200 -0.003 0.000 0.914 327 S HN 1.843 nan 8.310 nan 0.000 0.480 328 G N -1.999 106.772 108.800 -0.047 0.000 2.159 328 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.256 328 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.256 328 G C 0.018 174.880 174.900 -0.064 0.000 0.977 328 G CA 0.002 45.075 45.100 -0.046 0.000 0.652 328 G HN 1.250 nan 8.290 nan 0.000 0.531 329 V N 1.685 121.530 119.914 -0.114 0.000 2.409 329 V HA 0.445 4.565 4.120 -0.001 0.000 0.291 329 V C 0.066 176.026 176.094 -0.223 0.000 1.020 329 V CA -1.006 61.168 62.300 -0.209 0.000 0.848 329 V CB 1.838 33.430 31.823 -0.385 0.000 0.990 329 V HN 0.287 nan 8.190 nan 0.000 0.430 330 Q N 4.597 124.304 119.800 -0.155 0.000 2.324 330 Q HA 0.328 4.667 4.340 -0.001 0.000 0.257 330 Q C -0.380 175.571 176.000 -0.080 0.000 1.080 330 Q CA -0.221 55.534 55.803 -0.080 0.000 0.907 330 Q CB 1.059 29.788 28.738 -0.015 0.000 1.274 330 Q HN 0.478 nan 8.270 nan 0.000 0.434 331 I N 2.640 123.177 120.570 -0.055 0.000 2.441 331 I HA 0.151 4.320 4.170 -0.001 0.000 0.287 331 I C 0.759 176.978 176.117 0.171 0.000 1.049 331 I CA -0.094 61.251 61.300 0.075 0.000 1.381 331 I CB 0.239 38.337 38.000 0.165 0.000 1.409 331 I HN 0.215 nan 8.210 nan 0.000 0.523 332 K N 4.672 125.219 120.400 0.244 0.000 2.110 332 K HA 0.258 4.578 4.320 -0.001 0.000 0.263 332 K C 0.097 176.780 176.600 0.139 0.000 0.975 332 K CA -0.931 55.448 56.287 0.153 0.000 0.895 332 K CB 1.484 34.060 32.500 0.125 0.000 1.060 332 K HN 0.400 nan 8.250 nan 0.000 0.448 333 K N 0.764 121.212 120.400 0.080 0.000 2.543 333 K HA -0.168 4.152 4.320 -0.001 0.000 0.279 333 K C 0.706 177.356 176.600 0.084 0.000 1.001 333 K CA 1.499 57.820 56.287 0.057 0.000 1.088 333 K CB -0.144 32.377 32.500 0.034 0.000 0.863 333 K HN 0.829 nan 8.250 nan 0.000 0.488 334 G N 2.516 111.368 108.800 0.087 0.000 2.234 334 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.235 334 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.235 334 G C -0.113 174.877 174.900 0.151 0.000 0.997 334 G CA 0.110 45.272 45.100 0.104 0.000 0.623 334 G HN 0.650 nan 8.290 nan 0.000 0.514 335 Q N 0.599 120.527 119.800 0.212 0.000 2.340 335 Q HA 0.532 4.872 4.340 -0.001 0.000 0.249 335 Q C 0.501 176.683 176.000 0.303 0.000 0.957 335 Q CA -0.200 55.792 55.803 0.315 0.000 0.882 335 Q CB 0.711 29.744 28.738 0.491 0.000 1.235 335 Q HN 0.431 nan 8.270 nan 0.000 0.439 336 R N 0.665 121.330 120.500 0.275 0.000 2.357 336 R HA 0.342 4.682 4.340 -0.001 0.000 0.296 336 R C -0.523 175.963 176.300 0.310 0.000 1.052 336 R CA -0.489 55.711 56.100 0.168 0.000 0.988 336 R CB 0.820 31.099 30.300 -0.034 0.000 1.025 336 R HN 0.420 nan 8.270 nan 0.000 0.469 337 V N -0.188 119.848 119.914 0.203 0.000 2.495 337 V HA 0.576 4.695 4.120 -0.001 0.000 0.298 337 V C -0.291 175.759 176.094 -0.072 0.000 1.031 337 V CA -0.853 61.554 62.300 0.179 0.000 0.871 337 V CB 1.948 33.808 31.823 0.062 0.000 0.988 337 V HN 0.387 nan 8.190 nan 0.000 0.432 338 V N 6.134 125.980 119.914 -0.113 0.000 2.350 338 V HA 0.423 4.542 4.120 -0.001 0.000 0.285 338 V C 0.210 175.942 176.094 -0.603 0.000 1.014 338 V CA -0.398 61.592 62.300 -0.516 0.000 0.831 338 V CB 1.523 32.801 31.823 -0.908 0.000 1.000 338 V HN 0.961 nan 8.190 nan 0.000 0.433 339 M N 5.690 124.909 119.600 -0.635 0.000 2.193 339 M HA 0.381 4.861 4.480 -0.001 0.000 0.342 339 M C -0.847 174.905 176.300 -0.914 0.000 1.413 339 M CA 0.108 55.026 55.300 -0.637 0.000 1.191 339 M CB 0.073 32.290 32.600 -0.638 0.000 1.633 339 M HN 0.456 nan 8.290 nan 0.000 0.458 340 F N 3.285 123.005 119.950 -0.384 0.000 2.515 340 F HA 0.166 4.692 4.527 -0.001 0.000 0.353 340 F C 0.505 176.069 175.800 -0.393 0.000 1.213 340 F CA -0.285 57.468 58.000 -0.411 0.000 1.194 340 F CB -0.360 38.380 39.000 -0.433 0.000 1.488 340 F HN 0.489 nan 8.300 nan 0.000 0.619 341 Y N 0.318 120.566 120.300 -0.087 0.000 2.241 341 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 341 Y C 2.491 178.338 175.900 -0.089 0.000 1.166 341 Y CA 1.087 59.143 58.100 -0.074 0.000 1.203 341 Y CB -0.581 37.823 38.460 -0.092 0.000 0.977 341 Y HN 0.346 nan 8.280 nan 0.000 0.529 342 R N 0.267 120.764 120.500 -0.004 0.000 2.120 342 R HA -0.130 4.210 4.340 -0.001 0.000 0.234 342 R C 2.422 178.605 176.300 -0.194 0.000 1.123 342 R CA 1.694 57.750 56.100 -0.074 0.000 0.975 342 R CB -0.849 29.432 30.300 -0.031 0.000 0.866 342 R HN 0.222 nan 8.270 nan 0.000 0.446 343 S N -0.748 114.646 115.700 -0.510 0.000 2.348 343 S HA 0.072 4.541 4.470 -0.001 0.000 0.219 343 S C 1.944 176.528 174.600 -0.026 0.000 1.033 343 S CA 0.862 58.837 58.200 -0.375 0.000 0.974 343 S CB -0.450 62.415 63.200 -0.559 0.000 0.868 343 S HN 0.489 nan 8.310 nan 0.000 0.459 344 A N 1.907 124.731 122.820 0.008 0.000 1.978 344 A HA -0.080 4.239 4.320 -0.001 0.000 0.220 344 A C 1.843 179.536 177.584 0.182 0.000 1.170 344 A CA 1.740 53.844 52.037 0.111 0.000 0.636 344 A CB -0.831 18.251 19.000 0.137 0.000 0.810 344 A HN 0.591 nan 8.150 nan 0.000 0.448 345 N N -1.398 117.353 118.700 0.085 0.000 2.571 345 N HA 0.039 4.779 4.740 -0.001 0.000 0.189 345 N C -0.134 174.880 175.510 -0.825 0.000 1.154 345 N CA 0.673 53.593 53.050 -0.215 0.000 0.907 345 N CB -0.245 38.104 38.487 -0.230 0.000 0.977 345 N HN 0.528 nan 8.380 nan 0.000 0.449 346 F N -0.485 119.306 119.950 -0.266 0.000 2.805 346 F HA 0.197 4.724 4.527 -0.001 0.000 0.317 346 F C 0.473 176.216 175.800 -0.095 0.000 1.146 346 F CA -0.934 56.813 58.000 -0.421 0.000 1.265 346 F CB 0.488 39.063 39.000 -0.708 0.000 0.992 346 F HN -0.234 nan 8.300 nan 0.000 0.511 347 D N 1.394 121.934 120.400 0.234 0.000 2.339 347 D HA 0.024 4.663 4.640 -0.001 0.000 0.256 347 D C 0.935 177.377 176.300 0.237 0.000 1.214 347 D CA 0.360 54.496 54.000 0.227 0.000 0.877 347 D CB 1.148 42.062 40.800 0.190 0.000 1.111 347 D HN 0.258 nan 8.370 nan 0.000 0.478 348 E N 2.261 122.572 120.200 0.185 0.000 2.338 348 E HA -0.097 4.253 4.350 -0.001 0.000 0.197 348 E C 1.045 177.708 176.600 0.105 0.000 1.007 348 E CA 0.730 57.230 56.400 0.166 0.000 0.849 348 E CB 0.149 29.951 29.700 0.169 0.000 0.774 348 E HN 0.608 nan 8.360 nan 0.000 0.506 349 E N -0.365 119.878 120.200 0.071 0.000 2.478 349 E HA 0.022 4.372 4.350 -0.001 0.000 0.194 349 E C 0.959 177.534 176.600 -0.042 0.000 1.045 349 E CA 0.150 56.563 56.400 0.021 0.000 0.868 349 E CB 0.602 30.313 29.700 0.019 0.000 0.885 349 E HN 0.104 nan 8.360 nan 0.000 0.505 350 V N -0.155 119.703 119.914 -0.093 0.000 3.219 350 V HA 0.110 4.230 4.120 -0.001 0.000 0.240 350 V C 0.146 175.957 176.094 -0.472 0.000 1.222 350 V CA 0.414 62.517 62.300 -0.327 0.000 1.181 350 V CB 0.327 31.846 31.823 -0.506 0.000 0.941 350 V HN 0.018 nan 8.190 nan 0.000 0.471 351 F N 0.653 120.584 119.950 -0.032 0.000 2.422 351 F HA 0.528 5.055 4.527 -0.001 0.000 0.333 351 F C 0.555 176.347 175.800 -0.014 0.000 1.095 351 F CA -0.809 57.165 58.000 -0.044 0.000 1.038 351 F CB 0.884 39.819 39.000 -0.109 0.000 1.156 351 F HN -0.065 nan 8.300 nan 0.000 0.483 352 Q N 2.676 122.572 119.800 0.159 0.000 2.293 352 Q HA 0.094 4.434 4.340 -0.001 0.000 0.263 352 Q C -0.760 175.322 176.000 0.136 0.000 1.002 352 Q CA -0.070 55.804 55.803 0.118 0.000 0.910 352 Q CB 0.500 29.284 28.738 0.077 0.000 1.185 352 Q HN 0.596 nan 8.270 nan 0.000 0.401 353 D N 3.163 123.649 120.400 0.143 0.000 2.812 353 D HA -0.143 4.497 4.640 -0.001 0.000 0.237 353 D C -1.854 174.536 176.300 0.150 0.000 1.162 353 D CA 0.186 54.284 54.000 0.163 0.000 0.740 353 D CB -0.557 40.323 40.800 0.134 0.000 1.000 353 D HN 0.494 nan 8.370 nan 0.000 0.416 354 P HA -0.145 nan 4.420 nan 0.000 0.220 354 P C 1.340 178.580 177.300 -0.101 0.000 1.148 354 P CA 0.837 63.834 63.100 -0.172 0.000 0.803 354 P CB -0.069 31.451 31.700 -0.301 0.000 0.782 355 F N -0.322 119.833 119.950 0.341 0.000 2.773 355 F HA 0.119 4.645 4.527 -0.001 0.000 0.304 355 F C 0.984 177.081 175.800 0.495 0.000 1.129 355 F CA 0.408 58.682 58.000 0.457 0.000 1.378 355 F CB -0.709 38.459 39.000 0.281 0.000 1.095 355 F HN -0.248 nan 8.300 nan 0.000 0.565 356 T N 1.009 115.821 114.554 0.430 0.000 2.799 356 T HA 0.185 4.535 4.350 -0.001 0.000 0.286 356 T C -0.788 173.952 174.700 0.066 0.000 0.973 356 T CA -0.346 61.885 62.100 0.218 0.000 1.035 356 T CB 0.738 69.676 68.868 0.116 0.000 0.932 356 T HN -0.056 nan 8.240 nan 0.000 0.469 357 F N 4.937 124.537 119.950 -0.583 0.000 2.413 357 F HA 0.474 5.000 4.527 -0.001 0.000 0.359 357 F C 0.140 175.629 175.800 -0.519 0.000 1.122 357 F CA -1.330 56.070 58.000 -0.999 0.000 1.160 357 F CB 0.153 38.045 39.000 -1.847 0.000 1.146 357 F HN 0.394 nan 8.300 nan 0.000 0.514 358 N N 7.189 125.474 118.700 -0.691 0.000 2.617 358 N HA 0.147 4.887 4.740 -0.001 0.000 0.263 358 N C 0.616 175.810 175.510 -0.527 0.000 1.074 358 N CA -0.559 52.200 53.050 -0.486 0.000 0.841 358 N CB 0.472 38.829 38.487 -0.218 0.000 1.221 358 N HN 0.696 nan 8.380 nan 0.000 0.529 359 I N 0.223 120.440 120.570 -0.589 0.000 3.241 359 I HA 0.002 4.171 4.170 -0.001 0.000 0.280 359 I C 0.270 176.297 176.117 -0.149 0.000 1.320 359 I CA 0.881 61.955 61.300 -0.376 0.000 1.413 359 I CB 0.011 37.898 38.000 -0.188 0.000 1.060 359 I HN 0.333 nan 8.210 nan 0.000 0.500 360 L N 0.753 121.899 121.223 -0.129 0.000 2.607 360 L HA 0.256 4.596 4.340 -0.001 0.000 0.228 360 L C 1.254 178.100 176.870 -0.041 0.000 1.123 360 L CA -0.255 54.551 54.840 -0.057 0.000 0.890 360 L CB -0.320 41.713 42.059 -0.043 0.000 1.103 360 L HN 0.192 nan 8.230 nan 0.000 0.468 361 R N 2.127 122.588 120.500 -0.064 0.000 2.486 361 R HA -0.035 4.305 4.340 -0.001 0.000 0.303 361 R C -0.556 175.758 176.300 0.024 0.000 0.958 361 R CA 0.567 56.657 56.100 -0.018 0.000 1.077 361 R CB 0.096 30.382 30.300 -0.024 0.000 0.921 361 R HN 0.086 nan 8.270 nan 0.000 0.406 362 N N 4.254 122.974 118.700 0.033 0.000 2.554 362 N HA 0.294 5.033 4.740 -0.001 0.000 0.271 362 N C -2.705 172.823 175.510 0.030 0.000 1.081 362 N CA -1.255 51.819 53.050 0.039 0.000 0.994 362 N CB 1.240 39.744 38.487 0.029 0.000 1.641 362 N HN 0.389 nan 8.380 nan 0.000 0.511 363 P HA 0.295 nan 4.420 nan 0.000 0.271 363 P C -0.901 176.446 177.300 0.079 0.000 1.233 363 P CA -0.214 62.910 63.100 0.039 0.000 0.789 363 P CB 0.461 32.166 31.700 0.008 0.000 0.951 364 N N 1.240 120.010 118.700 0.117 0.000 2.716 364 N HA 0.192 4.931 4.740 -0.001 0.000 0.253 364 N C -2.533 173.115 175.510 0.230 0.000 1.170 364 N CA -1.687 51.504 53.050 0.235 0.000 0.807 364 N CB 0.883 39.523 38.487 0.255 0.000 1.183 364 N HN 0.171 nan 8.380 nan 0.000 0.524 365 P HA 0.141 nan 4.420 nan 0.000 0.228 365 P C -0.391 176.969 177.300 0.101 0.000 1.764 365 P CA -0.250 62.851 63.100 0.001 0.000 0.929 365 P CB -0.825 30.793 31.700 -0.137 0.000 1.675 366 H N -1.046 118.203 119.070 0.297 0.000 2.745 366 H HA 0.228 4.783 4.556 -0.001 0.000 0.373 366 H C 0.758 176.186 175.328 0.168 0.000 1.226 366 H CA -0.741 55.475 56.048 0.281 0.000 1.435 366 H CB 0.532 30.333 29.762 0.066 0.000 1.461 366 H HN -0.102 nan 8.280 nan 0.000 0.616 367 V N -0.116 119.927 119.914 0.215 0.000 3.043 367 V HA 0.399 4.518 4.120 -0.001 0.000 0.357 367 V C 1.615 177.667 176.094 -0.069 0.000 1.372 367 V CA 0.195 62.554 62.300 0.098 0.000 1.214 367 V CB -0.001 31.934 31.823 0.186 0.000 1.224 367 V HN 0.978 nan 8.190 nan 0.000 0.507 368 G N 0.603 109.497 108.800 0.157 0.000 2.448 368 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.219 368 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.219 368 G C 0.835 175.468 174.900 -0.445 0.000 1.127 368 G CA 0.863 45.819 45.100 -0.240 0.000 0.766 368 G HN 0.579 nan 8.290 nan 0.000 0.552 369 F N 1.278 121.151 119.950 -0.128 0.000 2.660 369 F HA 0.446 4.973 4.527 -0.001 0.000 0.302 369 F C 1.473 176.977 175.800 -0.492 0.000 1.103 369 F CA -0.023 57.763 58.000 -0.358 0.000 1.340 369 F CB 0.057 38.775 39.000 -0.469 0.000 1.048 369 F HN 0.338 nan 8.300 nan 0.000 0.551 370 G N -0.218 108.388 108.800 -0.322 0.000 2.663 370 G HA2 0.155 4.115 3.960 -0.001 0.000 0.686 370 G HA3 0.155 4.115 3.960 -0.001 0.000 0.686 370 G C 0.059 175.059 174.900 0.168 0.000 1.288 370 G CA -0.890 44.109 45.100 -0.167 0.000 0.836 370 G HN 0.540 nan 8.290 nan 0.000 0.584 371 G N -0.546 108.411 108.800 0.262 0.000 2.503 371 G HA2 0.622 4.582 3.960 -0.001 0.000 0.257 371 G HA3 0.622 4.582 3.960 -0.001 0.000 0.257 371 G C 0.594 175.651 174.900 0.262 0.000 1.214 371 G CA 0.734 45.973 45.100 0.232 0.000 0.839 371 G HN 1.310 nan 8.290 nan 0.000 0.559 372 T N 0.519 115.144 114.554 0.119 0.000 2.891 372 T HA 0.438 4.787 4.350 -0.001 0.000 0.296 372 T C 0.837 175.573 174.700 0.059 0.000 1.025 372 T CA 1.253 63.349 62.100 -0.006 0.000 1.149 372 T CB 0.392 69.207 68.868 -0.089 0.000 1.007 372 T HN 1.437 nan 8.240 nan 0.000 0.528 373 G N 0.710 109.548 108.800 0.063 0.000 2.343 373 G HA2 0.461 4.421 3.960 -0.001 0.000 0.289 373 G HA3 0.461 4.421 3.960 -0.001 0.000 0.289 373 G C 0.599 175.546 174.900 0.079 0.000 1.295 373 G CA -0.075 45.064 45.100 0.065 0.000 0.869 373 G HN 0.688 nan 8.290 nan 0.000 0.522 374 A N -1.020 121.810 122.820 0.016 0.000 1.940 374 A HA -0.018 4.301 4.320 -0.001 0.000 0.219 374 A C 1.613 179.139 177.584 -0.096 0.000 1.176 374 A CA 2.305 54.295 52.037 -0.078 0.000 0.631 374 A CB -0.629 18.197 19.000 -0.290 0.000 0.814 374 A HN 0.681 nan 8.150 nan 0.000 0.446 375 H N -3.435 115.649 119.070 0.024 0.000 2.551 375 H HA 0.088 4.644 4.556 -0.001 0.000 0.271 375 H C -0.184 175.205 175.328 0.102 0.000 0.984 375 H CA -0.325 55.740 56.048 0.030 0.000 1.164 375 H CB -0.221 29.490 29.762 -0.085 0.000 1.437 375 H HN 0.598 nan 8.280 nan 0.000 0.550 376 Y N 2.032 122.399 120.300 0.112 0.000 2.987 376 Y HA -0.163 4.387 4.550 -0.001 0.000 0.339 376 Y C 0.715 176.640 175.900 0.043 0.000 1.272 376 Y CA -0.410 57.736 58.100 0.077 0.000 1.562 376 Y CB 0.257 38.739 38.460 0.035 0.000 1.253 376 Y HN 0.217 nan 8.280 nan 0.000 0.604 377 C N 9.079 127.996 119.300 -0.639 0.000 2.271 377 C HA -0.101 4.359 4.460 -0.001 0.000 0.397 377 C C 1.915 176.697 174.990 -0.347 0.000 1.533 377 C CA 0.214 58.990 59.018 -0.404 0.000 1.433 377 C CB -2.163 25.373 27.740 -0.340 0.000 2.511 377 C HN 1.051 nan 8.230 nan 0.000 0.610 378 I N 4.647 125.057 120.570 -0.266 0.000 2.928 378 I HA 0.096 4.265 4.170 -0.001 0.000 0.266 378 I C 2.012 177.804 176.117 -0.543 0.000 1.234 378 I CA 1.442 62.526 61.300 -0.360 0.000 1.483 378 I CB -0.065 37.652 38.000 -0.472 0.000 1.097 378 I HN 0.912 nan 8.210 nan 0.000 0.455 379 G N -0.315 108.201 108.800 -0.472 0.000 3.233 379 G HA2 0.150 4.109 3.960 -0.001 0.000 0.227 379 G HA3 0.150 4.109 3.960 -0.001 0.000 0.227 379 G C 1.474 176.266 174.900 -0.179 0.000 1.175 379 G CA 0.476 45.446 45.100 -0.216 0.000 0.781 379 G HN 0.447 nan 8.290 nan 0.000 0.542 380 A N 1.523 124.076 122.820 -0.444 0.000 1.902 380 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 380 A C 2.296 179.652 177.584 -0.379 0.000 1.181 380 A CA 1.625 53.092 52.037 -0.951 0.000 0.623 380 A CB -0.278 17.989 19.000 -1.222 0.000 0.818 380 A HN 0.335 nan 8.150 nan 0.000 0.443 381 N N -0.374 118.251 118.700 -0.125 0.000 2.188 381 N HA -0.100 4.640 4.740 -0.001 0.000 0.184 381 N C 1.558 177.127 175.510 0.099 0.000 1.018 381 N CA 1.260 54.326 53.050 0.027 0.000 0.858 381 N CB -0.507 38.022 38.487 0.069 0.000 0.989 381 N HN 0.398 nan 8.380 nan 0.000 0.426 382 L N 1.146 122.449 121.223 0.134 0.000 2.083 382 L HA -0.027 4.313 4.340 -0.001 0.000 0.209 382 L C 2.019 178.987 176.870 0.162 0.000 1.083 382 L CA 1.426 56.369 54.840 0.172 0.000 0.752 382 L CB -0.857 41.349 42.059 0.246 0.000 0.899 382 L HN 0.112 nan 8.230 nan 0.000 0.433 383 A N -0.482 122.433 122.820 0.158 0.000 1.898 383 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 383 A C 2.407 180.145 177.584 0.257 0.000 1.181 383 A CA 1.596 53.767 52.037 0.224 0.000 0.620 383 A CB -0.485 18.724 19.000 0.348 0.000 0.819 383 A HN 0.482 nan 8.150 nan 0.000 0.442 384 R N -1.302 119.352 120.500 0.258 0.000 2.096 384 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 384 R C 2.315 178.755 176.300 0.233 0.000 1.127 384 R CA 1.627 57.890 56.100 0.271 0.000 0.968 384 R CB -0.397 30.052 30.300 0.248 0.000 0.861 384 R HN 0.662 nan 8.270 nan 0.000 0.440 385 M N 0.355 120.074 119.600 0.198 0.000 2.117 385 M HA -0.157 4.323 4.480 -0.001 0.000 0.262 385 M C 1.653 178.061 176.300 0.179 0.000 1.065 385 M CA 1.730 57.146 55.300 0.193 0.000 1.114 385 M CB -0.026 32.681 32.600 0.179 0.000 1.361 385 M HN 0.065 nan 8.290 nan 0.000 0.408 386 T N 1.259 115.911 114.554 0.162 0.000 2.684 386 T HA -0.164 4.185 4.350 -0.001 0.000 0.267 386 T C 1.678 176.477 174.700 0.166 0.000 1.036 386 T CA 1.917 64.096 62.100 0.131 0.000 1.148 386 T CB -0.470 68.467 68.868 0.115 0.000 0.863 386 T HN 0.407 nan 8.240 nan 0.000 0.436 387 I N 1.412 122.125 120.570 0.237 0.000 2.142 387 I HA -0.205 3.965 4.170 -0.001 0.000 0.240 387 I C 2.507 178.887 176.117 0.439 0.000 1.078 387 I CA 1.040 62.553 61.300 0.356 0.000 1.343 387 I CB -0.402 37.821 38.000 0.371 0.000 1.046 387 I HN 0.169 nan 8.210 nan 0.000 0.405 388 N N 0.887 119.804 118.700 0.362 0.000 2.104 388 N HA -0.152 4.588 4.740 -0.001 0.000 0.190 388 N C 1.936 177.650 175.510 0.339 0.000 1.024 388 N CA 1.371 54.652 53.050 0.384 0.000 0.853 388 N CB -0.451 38.219 38.487 0.305 0.000 1.008 388 N HN 0.322 nan 8.380 nan 0.000 0.424 389 L N -0.112 121.246 121.223 0.225 0.000 2.056 389 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 389 L C 2.187 179.137 176.870 0.133 0.000 1.078 389 L CA 0.611 55.537 54.840 0.143 0.000 0.749 389 L CB -0.272 41.813 42.059 0.042 0.000 0.901 389 L HN 0.088 nan 8.230 nan 0.000 0.433 390 I N -0.810 119.817 120.570 0.095 0.000 2.353 390 I HA -0.217 3.952 4.170 -0.001 0.000 0.248 390 I C 2.078 178.178 176.117 -0.029 0.000 1.119 390 I CA 1.458 62.738 61.300 -0.034 0.000 1.417 390 I CB -0.168 37.734 38.000 -0.163 0.000 1.078 390 I HN -0.021 nan 8.210 nan 0.000 0.421 391 F N 0.665 120.758 119.950 0.239 0.000 2.234 391 F HA -0.138 4.388 4.527 -0.000 0.000 0.299 391 F C 2.411 178.470 175.800 0.432 0.000 1.087 391 F CA 1.104 59.283 58.000 0.298 0.000 1.340 391 F CB -0.941 38.133 39.000 0.124 0.000 1.031 391 F HN 0.141 nan 8.300 nan 0.000 0.500 392 N N 0.381 119.400 118.700 0.531 0.000 2.069 392 N HA -0.181 4.559 4.740 -0.001 0.000 0.191 392 N C 2.073 177.760 175.510 0.294 0.000 1.031 392 N CA 1.489 54.774 53.050 0.391 0.000 0.852 392 N CB -0.449 38.201 38.487 0.272 0.000 1.018 392 N HN 0.290 nan 8.380 nan 0.000 0.423 393 A N 0.789 123.756 122.820 0.246 0.000 1.930 393 A HA -0.045 4.274 4.320 -0.001 0.000 0.217 393 A C 2.550 180.310 177.584 0.294 0.000 1.175 393 A CA 0.995 53.180 52.037 0.247 0.000 0.627 393 A CB -0.604 18.477 19.000 0.134 0.000 0.815 393 A HN 0.107 nan 8.150 nan 0.000 0.443 394 V N -0.139 119.940 119.914 0.276 0.000 2.307 394 V HA -0.237 3.882 4.120 -0.001 0.000 0.245 394 V C 3.066 179.452 176.094 0.486 0.000 1.045 394 V CA 1.874 64.382 62.300 0.347 0.000 1.024 394 V CB -1.187 30.843 31.823 0.345 0.000 0.651 394 V HN 0.606 nan 8.190 nan 0.000 0.449 395 A N -0.038 123.105 122.820 0.538 0.000 1.908 395 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 395 A C 1.971 179.638 177.584 0.138 0.000 1.181 395 A CA 2.170 54.388 52.037 0.300 0.000 0.627 395 A CB -0.603 18.502 19.000 0.175 0.000 0.818 395 A HN 0.558 nan 8.150 nan 0.000 0.445 396 D N -1.426 119.041 120.400 0.113 0.000 2.149 396 D HA -0.070 4.569 4.640 -0.001 0.000 0.201 396 D C 1.620 177.795 176.300 -0.208 0.000 0.972 396 D CA 1.215 55.161 54.000 -0.089 0.000 0.835 396 D CB -0.277 40.427 40.800 -0.161 0.000 0.966 396 D HN 0.654 nan 8.370 nan 0.000 0.476 397 H N -1.045 118.082 119.070 0.095 0.000 2.681 397 H HA 0.256 4.811 4.556 -0.001 0.000 0.268 397 H C 0.729 176.112 175.328 0.092 0.000 0.967 397 H CA 0.426 56.513 56.048 0.065 0.000 1.233 397 H CB 0.859 30.633 29.762 0.019 0.000 1.445 397 H HN 0.167 nan 8.280 nan 0.000 0.494 398 M N 0.532 120.289 119.600 0.261 0.000 3.402 398 M HA 0.290 4.770 4.480 -0.001 0.000 0.372 398 M C -2.484 174.027 176.300 0.350 0.000 1.610 398 M CA -1.503 53.959 55.300 0.269 0.000 0.650 398 M CB 1.585 34.347 32.600 0.270 0.000 1.421 398 M HN -0.236 nan 8.290 nan 0.000 0.493 399 P HA -0.108 nan 4.420 nan 0.000 0.221 399 P C -0.135 177.428 177.300 0.439 0.000 1.145 399 P CA 1.340 64.651 63.100 0.353 0.000 0.795 399 P CB 0.105 31.872 31.700 0.113 0.000 0.775 400 D N -0.012 120.565 120.400 0.295 0.000 2.463 400 D HA 0.127 4.766 4.640 -0.001 0.000 0.224 400 D C 0.868 177.281 176.300 0.188 0.000 1.174 400 D CA -0.233 53.909 54.000 0.237 0.000 0.829 400 D CB -0.193 40.692 40.800 0.141 0.000 0.993 400 D HN 0.294 nan 8.370 nan 0.000 0.497 401 L N -1.275 120.072 121.223 0.207 0.000 2.456 401 L HA 0.353 4.692 4.340 -0.001 0.000 0.272 401 L C -0.219 176.629 176.870 -0.036 0.000 1.189 401 L CA 0.008 54.898 54.840 0.083 0.000 0.846 401 L CB 0.624 42.763 42.059 0.133 0.000 1.111 401 L HN -0.337 nan 8.230 nan 0.000 0.475 402 K N 3.780 124.112 120.400 -0.114 0.000 2.427 402 K HA 0.550 4.870 4.320 -0.001 0.000 0.252 402 K C -2.596 173.838 176.600 -0.276 0.000 0.931 402 K CA -1.844 54.358 56.287 -0.142 0.000 0.793 402 K CB 2.274 34.731 32.500 -0.072 0.000 1.211 402 K HN 0.509 nan 8.250 nan 0.000 0.426 403 P HA 0.121 nan 4.420 nan 0.000 0.272 403 P C -0.026 177.127 177.300 -0.244 0.000 1.223 403 P CA -0.039 62.818 63.100 -0.406 0.000 0.784 403 P CB 0.914 32.557 31.700 -0.094 0.000 0.923 404 I N -0.095 120.311 120.570 -0.274 0.000 2.810 404 I HA -0.017 4.152 4.170 -0.001 0.000 0.262 404 I C 1.141 177.205 176.117 -0.088 0.000 1.131 404 I CA 0.915 62.112 61.300 -0.172 0.000 1.453 404 I CB 0.174 38.059 38.000 -0.192 0.000 1.161 404 I HN 0.457 nan 8.210 nan 0.000 0.444 405 S N -0.145 115.527 115.700 -0.047 0.000 2.671 405 S HA 0.750 5.220 4.470 -0.001 0.000 0.277 405 S C -0.524 174.188 174.600 0.187 0.000 1.165 405 S CA -0.918 57.309 58.200 0.045 0.000 0.822 405 S CB 1.513 64.729 63.200 0.026 0.000 1.150 405 S HN 0.083 nan 8.310 nan 0.000 0.479 406 A N 1.341 124.253 122.820 0.153 0.000 2.445 406 A HA 0.652 4.972 4.320 -0.001 0.000 0.242 406 A C -2.527 175.182 177.584 0.208 0.000 1.075 406 A CA -1.133 51.000 52.037 0.160 0.000 0.777 406 A CB -1.156 17.882 19.000 0.062 0.000 1.013 406 A HN 0.619 nan 8.150 nan 0.000 0.493 407 P HA 0.153 nan 4.420 nan 0.000 0.267 407 P C -0.632 176.695 177.300 0.045 0.000 1.200 407 P CA 0.177 63.284 63.100 0.012 0.000 0.772 407 P CB 0.399 31.902 31.700 -0.329 0.000 0.855 408 E N 2.392 122.651 120.200 0.099 0.000 2.109 408 E HA 0.236 4.586 4.350 -0.001 0.000 0.278 408 E C -0.046 176.573 176.600 0.031 0.000 0.954 408 E CA -0.530 55.918 56.400 0.080 0.000 0.779 408 E CB 0.943 30.741 29.700 0.164 0.000 1.093 408 E HN 0.271 nan 8.360 nan 0.000 0.401 409 R N 1.699 122.201 120.500 0.002 0.000 2.531 409 R HA 0.266 4.606 4.340 -0.001 0.000 0.273 409 R C -0.188 176.114 176.300 0.004 0.000 1.070 409 R CA -0.852 55.239 56.100 -0.014 0.000 1.112 409 R CB 0.617 30.904 30.300 -0.020 0.000 1.049 409 R HN 0.316 nan 8.270 nan 0.000 0.508 410 L N 1.890 123.108 121.223 -0.009 0.000 2.349 410 L HA 0.171 4.511 4.340 -0.001 0.000 0.275 410 L C 0.210 177.084 176.870 0.007 0.000 1.115 410 L CA 0.168 55.012 54.840 0.006 0.000 0.820 410 L CB 0.718 42.750 42.059 -0.046 0.000 1.135 410 L HN 0.432 nan 8.230 nan 0.000 0.445 411 R N 3.651 124.168 120.500 0.028 0.000 2.272 411 R HA 0.394 4.734 4.340 -0.001 0.000 0.334 411 R C -0.947 175.353 176.300 0.000 0.000 1.117 411 R CA 0.179 56.298 56.100 0.032 0.000 0.966 411 R CB 0.070 30.392 30.300 0.037 0.000 1.049 411 R HN 0.760 nan 8.270 nan 0.000 0.477 412 S N 1.815 117.493 115.700 -0.037 0.000 2.537 412 S HA 0.409 4.878 4.470 -0.001 0.000 0.270 412 S C 0.288 174.795 174.600 -0.155 0.000 1.142 412 S CA -0.437 57.672 58.200 -0.152 0.000 0.870 412 S CB 1.679 64.647 63.200 -0.388 0.000 1.112 412 S HN 0.656 nan 8.310 nan 0.000 0.466 413 G N 2.135 110.883 108.800 -0.086 0.000 3.141 413 G HA2 0.220 4.179 3.960 -0.001 0.000 0.218 413 G HA3 0.220 4.179 3.960 -0.001 0.000 0.218 413 G C 0.738 175.546 174.900 -0.154 0.000 1.170 413 G CA 0.351 45.419 45.100 -0.054 0.000 0.769 413 G HN 0.828 nan 8.290 nan 0.000 0.546 414 W N -1.520 119.574 121.300 -0.344 0.000 2.804 414 W HA 0.423 5.082 4.660 -0.001 0.000 0.205 414 W C -0.843 175.474 176.519 -0.337 0.000 0.994 414 W CA -0.459 56.679 57.345 -0.344 0.000 1.269 414 W CB -0.018 29.279 29.460 -0.272 0.000 0.761 414 W HN -0.052 nan 8.180 nan 0.000 0.745 415 L N 4.171 124.610 121.223 -1.308 0.000 2.312 415 L HA 0.398 4.737 4.340 -0.001 0.000 0.281 415 L C -0.225 176.292 176.870 -0.587 0.000 1.070 415 L CA -0.257 53.947 54.840 -1.060 0.000 0.805 415 L CB 1.125 42.389 42.059 -1.326 0.000 1.174 415 L HN -0.012 nan 8.230 nan 0.000 0.434 416 N N 3.384 121.853 118.700 -0.385 0.000 2.678 416 N HA 0.487 5.226 4.740 -0.001 0.000 0.231 416 N C -0.564 174.832 175.510 -0.190 0.000 1.038 416 N CA -0.151 52.764 53.050 -0.225 0.000 0.932 416 N CB 0.755 39.155 38.487 -0.144 0.000 1.176 416 N HN 0.731 nan 8.380 nan 0.000 0.511 417 G N 2.194 110.888 108.800 -0.177 0.000 2.448 417 G HA2 0.596 4.555 3.960 -0.001 0.000 0.324 417 G HA3 0.596 4.555 3.960 -0.001 0.000 0.324 417 G C -0.828 174.014 174.900 -0.098 0.000 1.203 417 G CA -0.540 44.472 45.100 -0.147 0.000 0.954 417 G HN 0.445 nan 8.290 nan 0.000 0.480 418 I N 1.690 122.209 120.570 -0.085 0.000 2.362 418 I HA 0.288 4.458 4.170 -0.001 0.000 0.289 418 I C 0.840 176.923 176.117 -0.058 0.000 0.994 418 I CA -0.709 60.554 61.300 -0.061 0.000 1.158 418 I CB 1.608 39.567 38.000 -0.069 0.000 1.315 418 I HN 0.644 nan 8.210 nan 0.000 0.451 419 K N 4.163 124.515 120.400 -0.079 0.000 2.076 419 K HA 0.027 4.347 4.320 -0.001 0.000 0.204 419 K C -0.218 176.048 176.600 -0.557 0.000 1.051 419 K CA 1.101 57.234 56.287 -0.258 0.000 0.949 419 K CB 0.157 32.539 32.500 -0.197 0.000 0.726 419 K HN 0.590 nan 8.250 nan 0.000 0.443 420 H N -2.735 116.429 119.070 0.157 0.000 3.046 420 H HA 0.262 4.818 4.556 -0.000 0.000 0.363 420 H C -1.903 173.600 175.328 0.290 0.000 1.203 420 H CA -0.870 55.295 56.048 0.194 0.000 1.169 420 H CB 1.635 31.480 29.762 0.138 0.000 1.851 420 H HN 0.059 nan 8.280 nan 0.000 0.546 421 W N 3.192 124.612 121.300 0.200 0.000 2.957 421 W HA 0.304 4.964 4.660 -0.000 0.000 0.327 421 W C -1.458 175.118 176.519 0.095 0.000 1.039 421 W CA -0.802 56.608 57.345 0.108 0.000 1.257 421 W CB 1.214 30.716 29.460 0.069 0.000 1.238 421 W HN 0.529 nan 8.180 nan 0.000 0.406 422 Q N 3.394 123.178 119.800 -0.027 0.000 2.288 422 Q HA 0.629 4.969 4.340 -0.001 0.000 0.258 422 Q C -1.278 174.424 176.000 -0.496 0.000 0.957 422 Q CA 0.217 55.904 55.803 -0.194 0.000 0.919 422 Q CB 1.180 29.854 28.738 -0.108 0.000 1.185 422 Q HN 0.303 nan 8.270 nan 0.000 0.408 423 V N 3.285 122.859 119.914 -0.568 0.000 2.876 423 V HA 0.312 4.432 4.120 -0.001 0.000 0.312 423 V C -1.158 174.503 176.094 -0.720 0.000 1.085 423 V CA -0.982 60.873 62.300 -0.741 0.000 0.945 423 V CB 2.301 33.614 31.823 -0.851 0.000 1.017 423 V HN 0.810 nan 8.190 nan 0.000 0.428 424 D N 1.529 121.613 120.400 -0.526 0.000 2.443 424 D HA 0.303 4.943 4.640 -0.001 0.000 0.221 424 D C 0.284 176.415 176.300 -0.281 0.000 1.097 424 D CA -0.180 53.593 54.000 -0.378 0.000 0.865 424 D CB 0.827 41.502 40.800 -0.208 0.000 1.034 424 D HN 0.418 nan 8.370 nan 0.000 0.511 425 Y N 1.433 121.716 120.300 -0.028 0.000 2.421 425 Y HA -0.108 4.441 4.550 -0.002 0.000 0.292 425 Y C 2.622 178.542 175.900 0.035 0.000 1.136 425 Y CA 1.398 59.509 58.100 0.017 0.000 1.255 425 Y CB -0.665 37.815 38.460 0.033 0.000 0.991 425 Y HN 0.504 nan 8.280 nan 0.000 0.552 426 T N -4.507 110.122 114.554 0.125 0.000 3.014 426 T HA 0.252 4.601 4.350 -0.001 0.000 0.263 426 T C 2.055 176.794 174.700 0.064 0.000 1.078 426 T CA 0.769 62.925 62.100 0.094 0.000 1.135 426 T CB -0.435 68.472 68.868 0.064 0.000 0.895 426 T HN 0.461 nan 8.240 nan 0.000 0.480 427 G N 1.524 110.341 108.800 0.028 0.000 2.184 427 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.264 427 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.264 427 G C 1.059 175.964 174.900 0.009 0.000 0.975 427 G CA 0.521 45.632 45.100 0.019 0.000 0.642 427 G HN 0.588 nan 8.290 nan 0.000 0.536 428 R N -1.277 119.227 120.500 0.006 0.000 2.250 428 R HA 0.359 4.699 4.340 -0.001 0.000 0.194 428 R C 1.011 177.305 176.300 -0.010 0.000 0.927 428 R CA -0.353 55.750 56.100 0.005 0.000 1.052 428 R CB 0.156 30.465 30.300 0.016 0.000 1.055 428 R HN 0.309 nan 8.270 nan 0.000 0.537 429 L N 3.509 124.718 121.223 -0.024 0.000 2.615 429 L HA 0.010 4.349 4.340 -0.001 0.000 0.284 429 L C -1.889 174.955 176.870 -0.043 0.000 1.237 429 L CA -0.908 53.909 54.840 -0.038 0.000 0.905 429 L CB 0.134 42.156 42.059 -0.061 0.000 1.149 429 L HN 0.033 nan 8.230 nan 0.000 0.499 430 P HA 0.123 nan 4.420 nan 0.000 0.279 430 P C -0.668 176.577 177.300 -0.090 0.000 1.276 430 P CA -0.597 62.476 63.100 -0.044 0.000 0.801 430 P CB 0.768 32.457 31.700 -0.019 0.000 1.127 431 V N 0.400 120.237 119.914 -0.129 0.000 2.599 431 V HA 0.255 4.374 4.120 -0.001 0.000 0.300 431 V C 0.355 176.228 176.094 -0.368 0.000 1.034 431 V CA 0.133 62.281 62.300 -0.254 0.000 1.115 431 V CB -0.168 31.479 31.823 -0.293 0.000 0.934 431 V HN 0.808 nan 8.190 nan 0.000 0.485 432 A N 6.910 129.549 122.820 -0.302 0.000 2.310 432 A HA 0.672 4.992 4.320 -0.001 0.000 0.299 432 A C -0.188 177.212 177.584 -0.305 0.000 1.147 432 A CA -0.473 51.429 52.037 -0.225 0.000 0.818 432 A CB 0.432 19.364 19.000 -0.112 0.000 1.096 432 A HN 0.990 nan 8.150 nan 0.000 0.495 433 H N 0.000 119.061 119.070 -0.015 0.000 2.539 433 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 433 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 433 H CB 0.000 29.756 29.762 -0.010 0.000 1.292 433 H HN 0.000 nan 8.280 nan 0.000 0.496