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 3l4d_1_D DATA FIRST_RESID 28 DATA SEQUENCE KGKLPPVVHG TTPFVGHIIQ FGKDPLGFML KAKKKYGGIF TMNICGNRIT DATA SEQUENCE VVGDVHQHSK FFTPRNEILS PREVYSFMVP VFGEGVAYAA PYPRMREQLN DATA SEQUENCE FLAEELTVAK FQNFAPSIQH EVRKFMKANW NKDEGEINIL DDCSAMIINT DATA SEQUENCE ACQCLFGEDL RKRLDARQFA QLLAKMESCL IPAAVFLPWI LKLPLPQSYR DATA SEQUENCE CRDARAELQD ILSEIIIARE KEEAXXXXNT SDLLAGLLGA VYRDGTRMSQ DATA SEQUENCE HEVCGMIVAA MFAGQHTSTI TTTWSLLHLM DPRNKRHLAK LHQEIDEFPA DATA SEQUENCE QLNYDNVMEE MPFAEQCARE SIRRDPPLVM LMRKVLKPVQ VGKYVVPEGD DATA SEQUENCE IIACSPLLSH QDEEAFPNPR EWNPERNMKL VDGAFCGFGA GVHKCIGEKF DATA SEQUENCE GLLQVKTVLA TVLRDYDFEL LGPLPEPNYH TMVVGPTASQ CRVKYIKKK 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 28 K HA 0.000 nan 4.320 nan 0.000 0.191 28 K C 0.000 176.611 176.600 0.018 0.000 0.988 28 K CA 0.000 56.294 56.287 0.012 0.000 0.838 28 K CB 0.000 32.505 32.500 0.009 0.000 1.064 29 G N 3.395 112.209 108.800 0.023 0.000 2.860 29 G HA2 -0.100 3.860 3.960 0.001 0.000 0.547 29 G HA3 -0.100 3.860 3.960 0.001 0.000 0.547 29 G C -1.045 173.888 174.900 0.055 0.000 1.103 29 G CA -0.037 45.085 45.100 0.036 0.000 1.126 29 G HN 0.632 nan 8.290 nan 0.000 0.490 30 K N 0.969 121.417 120.400 0.080 0.000 2.087 30 K HA 0.817 5.137 4.320 0.001 0.000 0.255 30 K C 0.523 177.238 176.600 0.192 0.000 0.988 30 K CA -0.834 55.531 56.287 0.130 0.000 0.915 30 K CB 0.701 33.288 32.500 0.145 0.000 1.043 30 K HN 0.439 nan 8.250 nan 0.000 0.457 31 L N 4.454 125.775 121.223 0.163 0.000 2.325 31 L HA 0.472 4.812 4.340 0.001 0.000 0.278 31 L C -2.023 174.830 176.870 -0.027 0.000 1.023 31 L CA -2.364 52.523 54.840 0.079 0.000 0.811 31 L CB 1.761 43.832 42.059 0.019 0.000 1.249 31 L HN 0.598 nan 8.230 nan 0.000 0.431 32 P HA 0.087 nan 4.420 nan 0.000 0.268 32 P C -2.449 174.624 177.300 -0.377 0.000 1.205 32 P CA -0.925 61.750 63.100 -0.709 0.000 0.771 32 P CB -0.188 31.213 31.700 -0.498 0.000 0.858 33 P HA -0.027 nan 4.420 nan 0.000 0.267 33 P C -0.569 176.569 177.300 -0.270 0.000 1.205 33 P CA 0.332 63.313 63.100 -0.197 0.000 0.765 33 P CB 0.306 31.960 31.700 -0.078 0.000 0.828 34 V N 5.282 125.068 119.914 -0.214 0.000 2.408 34 V HA 0.012 4.133 4.120 0.001 0.000 0.267 34 V C 1.192 177.097 176.094 -0.315 0.000 1.047 34 V CA -0.672 61.512 62.300 -0.194 0.000 0.937 34 V CB 1.233 33.000 31.823 -0.094 0.000 0.999 34 V HN 0.451 nan 8.190 nan 0.000 0.472 35 V N 6.108 125.787 119.914 -0.392 0.000 2.644 35 V HA 0.025 4.145 4.120 0.001 0.000 0.305 35 V C 0.567 176.596 176.094 -0.109 0.000 1.053 35 V CA 0.307 62.297 62.300 -0.516 0.000 1.186 35 V CB 0.272 31.757 31.823 -0.564 0.000 0.895 35 V HN 0.973 nan 8.190 nan 0.000 0.490 36 H N 4.939 123.982 119.070 -0.045 0.000 2.639 36 H HA 0.492 5.049 4.556 0.001 0.000 0.373 36 H C 1.291 176.746 175.328 0.212 0.000 1.372 36 H CA 1.148 57.266 56.048 0.116 0.000 1.448 36 H CB 0.899 30.753 29.762 0.153 0.000 1.544 36 H HN 1.266 nan 8.280 nan 0.000 0.615 37 G N 1.402 110.333 108.800 0.220 0.000 2.160 37 G HA2 -0.304 3.656 3.960 0.001 0.000 0.251 37 G HA3 -0.304 3.656 3.960 0.001 0.000 0.251 37 G C 0.360 175.364 174.900 0.173 0.000 1.008 37 G CA 0.608 45.867 45.100 0.265 0.000 0.724 37 G HN 0.825 nan 8.290 nan 0.000 0.514 38 T N 1.759 116.332 114.554 0.031 0.000 2.799 38 T HA 0.490 4.840 4.350 0.001 0.000 0.296 38 T C 1.477 176.028 174.700 -0.247 0.000 0.947 38 T CA 0.889 62.733 62.100 -0.427 0.000 1.141 38 T CB 0.011 68.597 68.868 -0.471 0.000 0.891 38 T HN 1.143 nan 8.240 nan 0.000 0.533 39 T N 5.256 119.673 114.554 -0.227 0.000 2.855 39 T HA 0.155 4.506 4.350 0.001 0.000 0.322 39 T C -1.165 173.479 174.700 -0.093 0.000 1.088 39 T CA -1.028 61.011 62.100 -0.101 0.000 1.104 39 T CB 0.319 69.154 68.868 -0.055 0.000 0.996 39 T HN 0.488 nan 8.240 nan 0.000 0.549 40 P HA -0.040 nan 4.420 nan 0.000 0.217 40 P C 0.870 178.195 177.300 0.042 0.000 1.150 40 P CA 1.141 64.244 63.100 0.005 0.000 0.832 40 P CB 0.011 31.740 31.700 0.048 0.000 0.787 41 F N -1.403 118.509 119.950 -0.062 0.000 2.819 41 F HA 0.231 4.758 4.527 0.000 0.000 0.325 41 F C 1.784 177.553 175.800 -0.052 0.000 1.041 41 F CA 0.065 58.035 58.000 -0.049 0.000 1.184 41 F CB 0.129 39.113 39.000 -0.028 0.000 1.019 41 F HN -0.371 nan 8.300 nan 0.000 0.590 42 V N 0.150 120.173 119.914 0.183 0.000 3.608 42 V HA 0.349 4.470 4.120 0.001 0.000 0.269 42 V C 1.365 177.425 176.094 -0.057 0.000 1.245 42 V CA 1.102 63.466 62.300 0.107 0.000 1.138 42 V CB -0.645 31.233 31.823 0.091 0.000 0.841 42 V HN 0.630 nan 8.190 nan 0.000 0.451 43 G N 0.805 109.510 108.800 -0.158 0.000 2.556 43 G HA2 -0.331 3.629 3.960 0.001 0.000 0.283 43 G HA3 -0.331 3.629 3.960 0.001 0.000 0.283 43 G C 0.446 175.098 174.900 -0.413 0.000 1.177 43 G CA 0.505 45.404 45.100 -0.335 0.000 0.978 43 G HN 0.502 nan 8.290 nan 0.000 0.554 44 H N 0.002 119.019 119.070 -0.088 0.000 2.672 44 H HA 0.311 4.867 4.556 0.001 0.000 0.277 44 H C 2.368 177.599 175.328 -0.162 0.000 1.074 44 H CA 0.329 56.328 56.048 -0.082 0.000 1.173 44 H CB 0.344 30.091 29.762 -0.025 0.000 1.558 44 H HN 0.425 nan 8.280 nan 0.000 0.539 45 I N 0.789 121.316 120.570 -0.073 0.000 2.315 45 I HA -0.303 3.868 4.170 0.001 0.000 0.251 45 I C 1.431 177.552 176.117 0.006 0.000 1.125 45 I CA 1.203 62.468 61.300 -0.057 0.000 1.392 45 I CB 0.169 38.120 38.000 -0.081 0.000 1.065 45 I HN 0.023 nan 8.210 nan 0.000 0.424 46 I N 0.520 121.088 120.570 -0.004 0.000 2.296 46 I HA -0.240 3.930 4.170 0.001 0.000 0.242 46 I C 2.497 178.603 176.117 -0.017 0.000 1.087 46 I CA 1.324 62.626 61.300 0.003 0.000 1.393 46 I CB -0.734 37.278 38.000 0.020 0.000 1.093 46 I HN 0.210 nan 8.210 nan 0.000 0.421 47 Q N -0.299 119.501 119.800 0.001 0.000 2.077 47 Q HA -0.262 4.078 4.340 0.001 0.000 0.206 47 Q C 2.280 178.136 176.000 -0.240 0.000 0.989 47 Q CA 2.193 58.011 55.803 0.025 0.000 0.853 47 Q CB -0.600 28.298 28.738 0.268 0.000 0.907 47 Q HN 0.514 nan 8.270 nan 0.000 0.418 48 F N 1.191 120.676 119.950 -0.774 0.000 2.146 48 F HA 0.009 4.537 4.527 0.001 0.000 0.298 48 F C 2.063 177.645 175.800 -0.364 0.000 1.096 48 F CA 1.591 59.014 58.000 -0.962 0.000 1.275 48 F CB -0.638 37.802 39.000 -0.934 0.000 1.008 48 F HN 0.002 nan 8.300 nan 0.000 0.480 49 G N 0.418 108.998 108.800 -0.367 0.000 2.446 49 G HA2 -0.345 3.615 3.960 0.001 0.000 0.217 49 G HA3 -0.345 3.615 3.960 0.001 0.000 0.217 49 G C 1.623 176.398 174.900 -0.208 0.000 1.168 49 G CA 1.130 46.044 45.100 -0.309 0.000 0.771 49 G HN 0.341 nan 8.290 nan 0.000 0.551 50 K N 0.704 121.038 120.400 -0.109 0.000 1.987 50 K HA -0.147 4.174 4.320 0.001 0.000 0.216 50 K C 0.444 176.998 176.600 -0.078 0.000 1.051 50 K CA 1.675 57.949 56.287 -0.022 0.000 0.942 50 K CB -0.245 32.262 32.500 0.011 0.000 0.722 50 K HN 0.285 nan 8.250 nan 0.000 0.444 51 D N -0.592 119.736 120.400 -0.121 0.000 2.412 51 D HA 0.210 4.850 4.640 0.001 0.000 0.276 51 D C -2.079 174.092 176.300 -0.215 0.000 1.196 51 D CA -2.352 51.571 54.000 -0.128 0.000 0.905 51 D CB 1.270 42.064 40.800 -0.010 0.000 1.081 51 D HN -0.019 nan 8.370 nan 0.000 0.502 52 P HA -0.176 nan 4.420 nan 0.000 0.215 52 P C 1.692 178.854 177.300 -0.230 0.000 1.157 52 P CA 0.431 63.181 63.100 -0.584 0.000 0.868 52 P CB 0.498 31.691 31.700 -0.845 0.000 0.788 53 L N 0.371 121.364 121.223 -0.384 0.000 1.976 53 L HA 0.001 4.342 4.340 0.001 0.000 0.209 53 L C 2.591 179.444 176.870 -0.028 0.000 1.071 53 L CA 2.655 57.387 54.840 -0.181 0.000 0.746 53 L CB -1.816 40.121 42.059 -0.203 0.000 0.890 53 L HN -0.015 nan 8.230 nan 0.000 0.432 54 G N -1.181 107.604 108.800 -0.025 0.000 2.446 54 G HA2 -0.365 3.595 3.960 0.001 0.000 0.217 54 G HA3 -0.365 3.595 3.960 0.001 0.000 0.217 54 G C 1.578 176.506 174.900 0.047 0.000 1.168 54 G CA 0.959 46.070 45.100 0.018 0.000 0.771 54 G HN 0.474 nan 8.290 nan 0.000 0.551 55 F N 1.212 121.130 119.950 -0.052 0.000 2.027 55 F HA -0.204 4.324 4.527 0.001 0.000 0.297 55 F C 2.907 178.684 175.800 -0.038 0.000 1.129 55 F CA 2.415 60.402 58.000 -0.022 0.000 1.195 55 F CB -0.224 38.797 39.000 0.037 0.000 0.960 55 F HN 0.097 nan 8.300 nan 0.000 0.485 56 M N -0.588 119.141 119.600 0.214 0.000 2.067 56 M HA -0.213 4.267 4.480 0.001 0.000 0.260 56 M C 2.202 178.477 176.300 -0.042 0.000 1.069 56 M CA 1.567 56.931 55.300 0.105 0.000 1.117 56 M CB -0.783 32.045 32.600 0.380 0.000 1.334 56 M HN 0.315 nan 8.290 nan 0.000 0.407 57 L N 0.704 121.942 121.223 0.024 0.000 2.034 57 L HA -0.286 4.054 4.340 0.001 0.000 0.217 57 L C 2.265 179.103 176.870 -0.054 0.000 1.077 57 L CA 2.035 56.882 54.840 0.012 0.000 0.769 57 L CB -0.539 41.534 42.059 0.022 0.000 0.890 57 L HN 0.213 nan 8.230 nan 0.000 0.435 58 K N -1.349 118.982 120.400 -0.114 0.000 1.984 58 K HA -0.081 4.240 4.320 0.001 0.000 0.209 58 K C 2.094 178.551 176.600 -0.238 0.000 1.046 58 K CA 1.277 57.469 56.287 -0.158 0.000 0.934 58 K CB -0.556 31.840 32.500 -0.172 0.000 0.717 58 K HN 0.393 nan 8.250 nan 0.000 0.438 59 A N 2.220 124.795 122.820 -0.409 0.000 1.958 59 A HA -0.298 4.022 4.320 0.001 0.000 0.221 59 A C 2.099 179.436 177.584 -0.411 0.000 1.178 59 A CA 2.075 53.781 52.037 -0.552 0.000 0.642 59 A CB -0.560 17.765 19.000 -1.124 0.000 0.816 59 A HN 0.298 nan 8.150 nan 0.000 0.453 60 K N -0.890 119.335 120.400 -0.292 0.000 2.097 60 K HA -0.180 4.141 4.320 0.001 0.000 0.206 60 K C 1.798 178.395 176.600 -0.004 0.000 1.049 60 K CA 1.420 57.697 56.287 -0.017 0.000 0.933 60 K CB -0.058 32.514 32.500 0.121 0.000 0.717 60 K HN 0.187 nan 8.250 nan 0.000 0.442 61 K N 0.876 121.237 120.400 -0.064 0.000 2.148 61 K HA -0.112 4.208 4.320 0.001 0.000 0.204 61 K C 1.862 178.384 176.600 -0.129 0.000 1.050 61 K CA 1.174 57.420 56.287 -0.068 0.000 0.942 61 K CB -0.010 32.445 32.500 -0.074 0.000 0.724 61 K HN 0.170 nan 8.250 nan 0.000 0.446 62 K N -0.916 119.347 120.400 -0.229 0.000 2.262 62 K HA -0.027 4.293 4.320 0.001 0.000 0.200 62 K C 0.723 176.949 176.600 -0.624 0.000 1.049 62 K CA 0.796 56.795 56.287 -0.480 0.000 0.979 62 K CB 0.330 32.415 32.500 -0.693 0.000 0.773 62 K HN 0.066 nan 8.250 nan 0.000 0.474 63 Y N -1.074 119.182 120.300 -0.074 0.000 2.499 63 Y HA 0.293 4.844 4.550 0.001 0.000 0.253 63 Y C 0.572 176.517 175.900 0.076 0.000 1.105 63 Y CA -0.028 58.067 58.100 -0.008 0.000 1.240 63 Y CB 1.607 40.043 38.460 -0.041 0.000 1.289 63 Y HN 0.146 nan 8.280 nan 0.000 0.534 64 G N 0.239 109.152 108.800 0.189 0.000 2.685 64 G HA2 -0.091 3.869 3.960 0.001 0.000 0.387 64 G HA3 -0.091 3.869 3.960 0.001 0.000 0.387 64 G C 0.976 176.053 174.900 0.296 0.000 1.324 64 G CA -0.445 44.781 45.100 0.210 0.000 0.878 64 G HN 0.522 nan 8.290 nan 0.000 0.527 65 G N -0.441 108.519 108.800 0.267 0.000 2.491 65 G HA2 0.084 4.044 3.960 0.001 0.000 0.218 65 G HA3 0.084 4.044 3.960 0.001 0.000 0.218 65 G C 1.037 176.094 174.900 0.261 0.000 1.180 65 G CA 1.544 46.808 45.100 0.274 0.000 0.774 65 G HN 0.976 nan 8.290 nan 0.000 0.562 66 I N 1.816 122.517 120.570 0.219 0.000 2.379 66 I HA 0.444 4.615 4.170 0.001 0.000 0.290 66 I C -0.436 175.686 176.117 0.007 0.000 1.063 66 I CA -0.998 60.328 61.300 0.045 0.000 1.351 66 I CB -0.701 37.388 38.000 0.148 0.000 1.410 66 I HN 0.237 nan 8.210 nan 0.000 0.505 67 F N 2.567 122.434 119.950 -0.138 0.000 2.686 67 F HA 0.736 5.264 4.527 0.001 0.000 0.311 67 F C -0.671 175.004 175.800 -0.207 0.000 1.128 67 F CA -0.920 56.950 58.000 -0.216 0.000 0.946 67 F CB 1.428 40.313 39.000 -0.191 0.000 1.336 67 F HN 0.145 nan 8.300 nan 0.000 0.457 68 T N 2.903 117.452 114.554 -0.007 0.000 2.792 68 T HA 0.590 4.940 4.350 0.001 0.000 0.280 68 T C -0.434 174.270 174.700 0.008 0.000 0.990 68 T CA -0.492 61.565 62.100 -0.072 0.000 0.960 68 T CB 1.232 70.034 68.868 -0.110 0.000 0.939 68 T HN 0.588 nan 8.240 nan 0.000 0.439 69 M N 3.033 122.634 119.600 0.002 0.000 2.409 69 M HA 0.414 4.894 4.480 0.001 0.000 0.329 69 M C 0.409 176.724 176.300 0.024 0.000 1.180 69 M CA -0.799 54.520 55.300 0.031 0.000 1.053 69 M CB 0.969 33.549 32.600 -0.033 0.000 1.586 69 M HN 0.397 nan 8.290 nan 0.000 0.461 70 N N 3.190 122.001 118.700 0.185 0.000 2.558 70 N HA 0.280 5.020 4.740 0.001 0.000 0.242 70 N C -1.806 173.634 175.510 -0.116 0.000 0.979 70 N CA -0.208 52.838 53.050 -0.007 0.000 0.931 70 N CB 0.720 39.172 38.487 -0.059 0.000 1.122 70 N HN 0.558 nan 8.380 nan 0.000 0.508 71 I N 3.444 123.873 120.570 -0.235 0.000 2.307 71 I HA 0.177 4.347 4.170 0.001 0.000 0.287 71 I C 0.688 176.659 176.117 -0.243 0.000 1.054 71 I CA -0.401 60.672 61.300 -0.377 0.000 1.218 71 I CB -0.029 37.445 38.000 -0.877 0.000 1.398 71 I HN 0.495 nan 8.210 nan 0.000 0.475 72 C N 5.572 124.777 119.300 -0.159 0.000 3.563 72 C HA -0.157 4.303 4.460 0.001 0.000 0.284 72 C C 1.703 176.619 174.990 -0.124 0.000 1.356 72 C CA 0.823 59.806 59.018 -0.058 0.000 2.166 72 C CB -2.490 25.297 27.740 0.078 0.000 1.399 72 C HN 1.235 nan 8.230 nan 0.000 0.583 73 G N 0.469 109.119 108.800 -0.250 0.000 2.189 73 G HA2 -0.300 3.661 3.960 0.001 0.000 0.267 73 G HA3 -0.300 3.661 3.960 0.001 0.000 0.267 73 G C -0.248 174.573 174.900 -0.132 0.000 0.975 73 G CA 0.677 45.620 45.100 -0.261 0.000 0.644 73 G HN 0.776 nan 8.290 nan 0.000 0.537 74 N N 0.106 118.750 118.700 -0.093 0.000 2.438 74 N HA 0.570 5.311 4.740 0.001 0.000 0.282 74 N C 0.165 175.634 175.510 -0.068 0.000 1.037 74 N CA -0.453 52.574 53.050 -0.039 0.000 0.942 74 N CB 0.746 39.268 38.487 0.058 0.000 1.136 74 N HN 0.253 nan 8.380 nan 0.000 0.481 75 R N 2.055 122.525 120.500 -0.050 0.000 2.205 75 R HA 0.310 4.650 4.340 0.001 0.000 0.342 75 R C -0.468 175.798 176.300 -0.057 0.000 1.058 75 R CA -0.288 55.776 56.100 -0.060 0.000 0.904 75 R CB 0.444 30.710 30.300 -0.056 0.000 1.089 75 R HN 0.563 nan 8.270 nan 0.000 0.471 76 I N 2.523 123.043 120.570 -0.083 0.000 2.328 76 I HA 0.246 4.416 4.170 0.001 0.000 0.287 76 I C -0.887 175.140 176.117 -0.150 0.000 1.012 76 I CA -0.205 61.037 61.300 -0.097 0.000 1.195 76 I CB 1.609 39.545 38.000 -0.107 0.000 1.350 76 I HN 0.416 nan 8.210 nan 0.000 0.464 77 T N 7.732 122.190 114.554 -0.160 0.000 2.753 77 T HA 0.295 4.645 4.350 0.001 0.000 0.297 77 T C -0.082 174.430 174.700 -0.313 0.000 0.981 77 T CA -0.404 61.557 62.100 -0.232 0.000 0.956 77 T CB 1.071 69.838 68.868 -0.168 0.000 0.936 77 T HN 0.497 nan 8.240 nan 0.000 0.463 78 V N 2.535 122.133 119.914 -0.527 0.000 2.509 78 V HA 0.543 4.664 4.120 0.001 0.000 0.284 78 V C 0.155 175.950 176.094 -0.497 0.000 1.047 78 V CA -0.686 61.275 62.300 -0.564 0.000 0.952 78 V CB 1.147 32.529 31.823 -0.734 0.000 0.988 78 V HN 0.543 nan 8.190 nan 0.000 0.469 79 V N 6.123 125.822 119.914 -0.358 0.000 2.223 79 V HA 0.323 4.444 4.120 0.001 0.000 0.249 79 V C 1.592 177.623 176.094 -0.105 0.000 1.233 79 V CA 0.818 62.998 62.300 -0.199 0.000 1.131 79 V CB -0.113 31.601 31.823 -0.182 0.000 1.298 79 V HN 1.153 nan 8.190 nan 0.000 0.498 80 G N 2.387 111.150 108.800 -0.062 0.000 2.813 80 G HA2 -0.055 3.905 3.960 0.001 0.000 0.209 80 G HA3 -0.055 3.905 3.960 0.001 0.000 0.209 80 G C 0.413 175.429 174.900 0.193 0.000 1.150 80 G CA -0.087 45.071 45.100 0.096 0.000 0.785 80 G HN 0.607 nan 8.290 nan 0.000 0.535 81 D N 0.299 120.816 120.400 0.194 0.000 2.347 81 D HA 0.196 4.836 4.640 0.001 0.000 0.235 81 D C 1.193 177.646 176.300 0.255 0.000 1.149 81 D CA -0.420 53.716 54.000 0.226 0.000 0.850 81 D CB 1.652 42.581 40.800 0.214 0.000 1.061 81 D HN -0.147 nan 8.370 nan 0.000 0.487 82 V N 5.442 125.445 119.914 0.149 0.000 3.078 82 V HA -0.132 3.988 4.120 0.001 0.000 0.265 82 V C 1.377 177.309 176.094 -0.269 0.000 1.122 82 V CA 1.401 63.587 62.300 -0.189 0.000 1.141 82 V CB -0.580 31.106 31.823 -0.229 0.000 0.735 82 V HN 0.640 nan 8.190 nan 0.000 0.498 83 H N -0.856 118.220 119.070 0.011 0.000 2.539 83 H HA 0.189 4.745 4.556 0.001 0.000 0.267 83 H C 1.123 176.509 175.328 0.095 0.000 0.982 83 H CA 0.471 56.538 56.048 0.031 0.000 1.146 83 H CB 0.562 30.343 29.762 0.032 0.000 1.382 83 H HN 0.494 nan 8.280 nan 0.000 0.577 84 Q N -0.533 119.418 119.800 0.253 0.000 2.135 84 Q HA 0.074 4.414 4.340 0.001 0.000 0.222 84 Q C 1.106 177.301 176.000 0.324 0.000 0.808 84 Q CA -0.157 55.795 55.803 0.247 0.000 1.049 84 Q CB 0.459 29.319 28.738 0.203 0.000 1.168 84 Q HN 0.680 nan 8.270 nan 0.000 0.483 85 H N 0.740 119.931 119.070 0.202 0.000 2.319 85 H HA -0.137 4.420 4.556 0.001 0.000 0.297 85 H C 2.197 177.759 175.328 0.391 0.000 1.097 85 H CA 1.724 57.959 56.048 0.312 0.000 1.285 85 H CB 0.436 30.437 29.762 0.398 0.000 1.368 85 H HN 0.295 nan 8.280 nan 0.000 0.495 86 S N 0.978 116.943 115.700 0.442 0.000 2.440 86 S HA -0.150 4.321 4.470 0.001 0.000 0.240 86 S C 1.803 176.552 174.600 0.249 0.000 1.014 86 S CA 1.011 59.415 58.200 0.341 0.000 0.980 86 S CB -0.094 63.241 63.200 0.225 0.000 0.775 86 S HN 0.268 nan 8.310 nan 0.000 0.499 87 K N 0.443 120.971 120.400 0.214 0.000 2.211 87 K HA 0.089 4.409 4.320 0.001 0.000 0.203 87 K C 1.579 178.243 176.600 0.107 0.000 1.050 87 K CA 0.981 57.351 56.287 0.139 0.000 0.945 87 K CB -0.533 32.044 32.500 0.129 0.000 0.732 87 K HN 0.653 nan 8.250 nan 0.000 0.451 88 F N -0.544 119.358 119.950 -0.079 0.000 2.437 88 F HA 0.100 4.627 4.527 0.001 0.000 0.288 88 F C 1.384 177.006 175.800 -0.295 0.000 1.085 88 F CA 0.421 58.254 58.000 -0.279 0.000 1.430 88 F CB 0.137 38.815 39.000 -0.536 0.000 1.120 88 F HN -0.178 nan 8.300 nan 0.000 0.556 89 F N -0.295 119.706 119.950 0.086 0.000 2.765 89 F HA 0.103 4.630 4.527 0.001 0.000 0.302 89 F C 1.894 177.693 175.800 -0.002 0.000 1.111 89 F CA 0.584 58.595 58.000 0.018 0.000 1.359 89 F CB -0.220 38.888 39.000 0.179 0.000 1.097 89 F HN -0.118 nan 8.300 nan 0.000 0.577 90 T N -1.462 113.166 114.554 0.124 0.000 3.045 90 T HA 0.134 4.485 4.350 0.001 0.000 0.239 90 T C -1.530 173.183 174.700 0.022 0.000 1.008 90 T CA 0.065 62.219 62.100 0.091 0.000 1.143 90 T CB -0.705 68.225 68.868 0.102 0.000 0.894 90 T HN -0.145 nan 8.240 nan 0.000 0.451 91 P HA 0.128 nan 4.420 nan 0.000 0.267 91 P C -0.021 177.250 177.300 -0.048 0.000 1.201 91 P CA 0.178 63.255 63.100 -0.038 0.000 0.775 91 P CB 0.474 32.135 31.700 -0.064 0.000 0.854 92 R N 1.732 122.201 120.500 -0.051 0.000 2.577 92 R HA 0.167 4.507 4.340 0.001 0.000 0.269 92 R C 1.228 177.478 176.300 -0.083 0.000 1.084 92 R CA -0.633 55.431 56.100 -0.060 0.000 1.163 92 R CB 0.085 30.344 30.300 -0.068 0.000 1.100 92 R HN 0.392 nan 8.270 nan 0.000 0.547 93 N N 1.726 120.373 118.700 -0.089 0.000 2.258 93 N HA -0.177 4.563 4.740 0.001 0.000 0.187 93 N C 1.085 176.428 175.510 -0.278 0.000 1.012 93 N CA 1.430 54.405 53.050 -0.125 0.000 0.870 93 N CB -0.002 38.417 38.487 -0.114 0.000 0.977 93 N HN 0.511 nan 8.380 nan 0.000 0.434 94 E N -0.064 119.965 120.200 -0.285 0.000 2.204 94 E HA -0.008 4.342 4.350 0.001 0.000 0.194 94 E C 1.764 178.277 176.600 -0.145 0.000 0.989 94 E CA 0.642 56.888 56.400 -0.256 0.000 0.824 94 E CB 0.068 29.654 29.700 -0.191 0.000 0.756 94 E HN 0.445 nan 8.360 nan 0.000 0.477 95 I N -0.467 120.036 120.570 -0.112 0.000 2.681 95 I HA 0.030 4.200 4.170 0.001 0.000 0.247 95 I C 0.497 176.568 176.117 -0.078 0.000 1.091 95 I CA 0.246 61.500 61.300 -0.078 0.000 1.442 95 I CB 0.282 38.245 38.000 -0.062 0.000 1.219 95 I HN -0.066 nan 8.210 nan 0.000 0.451 96 L N 0.884 122.050 121.223 -0.095 0.000 2.313 96 L HA 0.392 4.732 4.340 0.001 0.000 0.283 96 L C -0.306 176.512 176.870 -0.087 0.000 1.013 96 L CA -0.190 54.580 54.840 -0.117 0.000 0.816 96 L CB 1.679 43.618 42.059 -0.200 0.000 1.236 96 L HN 0.054 nan 8.230 nan 0.000 0.419 97 S N 3.865 119.524 115.700 -0.068 0.000 2.521 97 S HA 0.658 5.128 4.470 0.001 0.000 0.295 97 S C -2.268 172.256 174.600 -0.127 0.000 1.098 97 S CA -1.277 56.931 58.200 0.013 0.000 0.999 97 S CB 2.035 65.322 63.200 0.145 0.000 1.034 97 S HN 0.424 nan 8.310 nan 0.000 0.483 98 P HA 0.209 nan 4.420 nan 0.000 0.272 98 P C 1.165 178.197 177.300 -0.447 0.000 1.276 98 P CA -0.272 62.524 63.100 -0.507 0.000 0.871 98 P CB 0.161 31.456 31.700 -0.676 0.000 1.313 99 R N 2.034 122.431 120.500 -0.172 0.000 2.103 99 R HA -0.176 4.165 4.340 0.001 0.000 0.234 99 R C 2.024 178.254 176.300 -0.117 0.000 1.132 99 R CA 2.369 58.406 56.100 -0.106 0.000 0.925 99 R CB -0.472 29.753 30.300 -0.125 0.000 0.842 99 R HN 0.090 nan 8.270 nan 0.000 0.430 100 E N 0.330 120.462 120.200 -0.113 0.000 2.051 100 E HA -0.131 4.220 4.350 0.001 0.000 0.192 100 E C 2.204 178.737 176.600 -0.111 0.000 0.991 100 E CA 1.360 57.710 56.400 -0.084 0.000 0.799 100 E CB -0.810 28.854 29.700 -0.061 0.000 0.748 100 E HN 0.296 nan 8.360 nan 0.000 0.449 101 V N 0.643 120.421 119.914 -0.226 0.000 2.380 101 V HA -0.243 3.877 4.120 0.001 0.000 0.251 101 V C 1.591 177.629 176.094 -0.093 0.000 1.063 101 V CA 1.737 63.874 62.300 -0.272 0.000 1.055 101 V CB -0.739 30.762 31.823 -0.536 0.000 0.657 101 V HN 0.210 nan 8.190 nan 0.000 0.455 102 Y N -0.025 120.182 120.300 -0.156 0.000 2.571 102 Y HA 0.196 4.746 4.550 0.001 0.000 0.275 102 Y C 2.304 178.034 175.900 -0.282 0.000 1.179 102 Y CA -0.284 57.652 58.100 -0.274 0.000 1.242 102 Y CB -0.784 37.411 38.460 -0.441 0.000 1.126 102 Y HN 0.367 nan 8.280 nan 0.000 0.524 103 S N -0.336 115.369 115.700 0.008 0.000 2.474 103 S HA -0.203 4.267 4.470 0.001 0.000 0.235 103 S C 1.711 176.291 174.600 -0.034 0.000 0.997 103 S CA 0.679 58.882 58.200 0.005 0.000 0.949 103 S CB -1.266 61.947 63.200 0.021 0.000 0.766 103 S HN 0.460 nan 8.310 nan 0.000 0.517 104 F N 0.683 120.621 119.950 -0.019 0.000 2.722 104 F HA 0.383 4.911 4.527 0.001 0.000 0.298 104 F C 1.612 177.344 175.800 -0.112 0.000 1.175 104 F CA 0.063 58.017 58.000 -0.077 0.000 1.462 104 F CB -0.713 38.222 39.000 -0.109 0.000 1.111 104 F HN 0.145 nan 8.300 nan 0.000 0.592 105 M N -0.321 118.889 119.600 -0.651 0.000 2.371 105 M HA 0.107 4.587 4.480 0.001 0.000 0.246 105 M C 1.568 177.597 176.300 -0.452 0.000 1.103 105 M CA -0.082 54.806 55.300 -0.686 0.000 1.010 105 M CB 0.362 32.417 32.600 -0.909 0.000 1.457 105 M HN 0.113 nan 8.290 nan 0.000 0.486 106 V N 1.656 121.467 119.914 -0.172 0.000 2.392 106 V HA -0.175 3.946 4.120 0.001 0.000 0.249 106 V C -0.619 175.424 176.094 -0.084 0.000 1.059 106 V CA 2.021 64.299 62.300 -0.036 0.000 1.051 106 V CB -1.638 30.192 31.823 0.012 0.000 0.658 106 V HN 0.294 nan 8.190 nan 0.000 0.455 107 P HA -0.112 nan 4.420 nan 0.000 0.218 107 P C 1.794 178.995 177.300 -0.164 0.000 1.148 107 P CA 1.284 64.312 63.100 -0.120 0.000 0.822 107 P CB 0.008 31.633 31.700 -0.125 0.000 0.784 108 V N -1.680 118.042 119.914 -0.320 0.000 2.300 108 V HA -0.129 3.991 4.120 0.001 0.000 0.241 108 V C 2.134 178.070 176.094 -0.263 0.000 1.034 108 V CA 1.497 63.564 62.300 -0.389 0.000 1.021 108 V CB -1.295 30.100 31.823 -0.713 0.000 0.662 108 V HN 0.000 nan 8.190 nan 0.000 0.458 109 F N 0.874 120.746 119.950 -0.130 0.000 2.171 109 F HA 0.296 4.823 4.527 0.000 0.000 0.300 109 F C 1.467 177.188 175.800 -0.131 0.000 1.090 109 F CA 0.987 58.915 58.000 -0.119 0.000 1.293 109 F CB -0.357 38.573 39.000 -0.117 0.000 1.013 109 F HN 0.408 nan 8.300 nan 0.000 0.486 110 G N 0.433 109.289 108.800 0.092 0.000 2.555 110 G HA2 -0.117 3.843 3.960 0.001 0.000 0.686 110 G HA3 -0.117 3.843 3.960 0.001 0.000 0.686 110 G C -1.154 173.859 174.900 0.189 0.000 1.275 110 G CA -1.117 44.052 45.100 0.115 0.000 0.871 110 G HN 0.130 nan 8.290 nan 0.000 0.603 111 E N 0.169 120.537 120.200 0.280 0.000 2.316 111 E HA 0.443 4.794 4.350 0.001 0.000 0.275 111 E C 1.126 177.858 176.600 0.221 0.000 1.029 111 E CA 0.431 56.941 56.400 0.184 0.000 0.871 111 E CB 1.117 30.875 29.700 0.096 0.000 1.022 111 E HN 2.249 nan 8.360 nan 0.000 0.418 112 G N 1.872 110.746 108.800 0.123 0.000 2.160 112 G HA2 -0.242 3.718 3.960 0.001 0.000 0.244 112 G HA3 -0.242 3.718 3.960 0.001 0.000 0.244 112 G C -0.060 174.893 174.900 0.088 0.000 1.022 112 G CA 0.107 45.261 45.100 0.090 0.000 0.741 112 G HN 0.353 nan 8.290 nan 0.000 0.508 113 V N -0.778 119.177 119.914 0.069 0.000 2.769 113 V HA 0.898 5.018 4.120 0.001 0.000 0.312 113 V C 1.279 177.309 176.094 -0.108 0.000 1.061 113 V CA 0.248 62.546 62.300 -0.003 0.000 0.931 113 V CB 1.052 32.862 31.823 -0.022 0.000 1.010 113 V HN 2.241 nan 8.190 nan 0.000 0.433 114 A N 3.072 125.763 122.820 -0.215 0.000 5.382 114 A HA -0.312 4.009 4.320 0.001 0.000 0.307 114 A C 1.081 178.497 177.584 -0.280 0.000 1.937 114 A CA 2.104 53.875 52.037 -0.443 0.000 0.715 114 A CB -1.979 16.469 19.000 -0.920 0.000 1.293 114 A HN 1.039 nan 8.150 nan 0.000 0.374 115 Y N -0.046 120.170 120.300 -0.141 0.000 2.333 115 Y HA 0.005 4.555 4.550 0.000 0.000 0.290 115 Y C 2.949 178.810 175.900 -0.064 0.000 1.144 115 Y CA 1.665 59.733 58.100 -0.053 0.000 1.228 115 Y CB -0.467 38.007 38.460 0.022 0.000 0.985 115 Y HN 0.756 nan 8.280 nan 0.000 0.542 116 A N 0.819 123.699 122.820 0.101 0.000 1.902 116 A HA -0.001 4.319 4.320 0.001 0.000 0.217 116 A C 1.754 179.334 177.584 -0.008 0.000 1.181 116 A CA 0.938 53.008 52.037 0.055 0.000 0.623 116 A CB -1.138 17.909 19.000 0.079 0.000 0.818 116 A HN 0.313 nan 8.150 nan 0.000 0.443 117 A N -0.067 122.742 122.820 -0.018 0.000 2.387 117 A HA 0.478 4.798 4.320 0.001 0.000 0.251 117 A C -2.222 175.296 177.584 -0.111 0.000 1.113 117 A CA -0.926 51.087 52.037 -0.039 0.000 0.794 117 A CB -0.645 18.349 19.000 -0.011 0.000 1.069 117 A HN 0.282 nan 8.150 nan 0.000 0.506 118 P HA 0.150 nan 4.420 nan 0.000 0.272 118 P C -0.054 177.180 177.300 -0.110 0.000 1.223 118 P CA 0.047 63.053 63.100 -0.157 0.000 0.784 118 P CB 0.094 31.772 31.700 -0.037 0.000 0.923 119 Y N 3.053 123.377 120.300 0.040 0.000 2.030 119 Y HA -0.251 4.299 4.550 0.000 0.000 0.272 119 Y C -0.177 175.740 175.900 0.028 0.000 1.185 119 Y CA 2.424 60.552 58.100 0.046 0.000 1.120 119 Y CB -2.974 35.509 38.460 0.038 0.000 0.955 119 Y HN 0.479 nan 8.280 nan 0.000 0.495 120 P HA -0.197 nan 4.420 nan 0.000 0.214 120 P C 1.392 178.736 177.300 0.073 0.000 1.163 120 P CA 2.020 65.179 63.100 0.098 0.000 0.883 120 P CB -0.062 31.686 31.700 0.079 0.000 0.788 121 R N -0.083 120.454 120.500 0.062 0.000 2.094 121 R HA -0.139 4.201 4.340 0.001 0.000 0.239 121 R C 2.669 179.025 176.300 0.094 0.000 1.137 121 R CA 1.953 58.099 56.100 0.076 0.000 0.943 121 R CB -1.546 28.759 30.300 0.008 0.000 0.850 121 R HN 0.103 nan 8.270 nan 0.000 0.433 122 M N -0.309 119.315 119.600 0.039 0.000 2.065 122 M HA -0.243 4.238 4.480 0.001 0.000 0.259 122 M C 2.172 178.461 176.300 -0.019 0.000 1.069 122 M CA 2.136 57.436 55.300 0.000 0.000 1.110 122 M CB -0.256 32.351 32.600 0.011 0.000 1.328 122 M HN 0.080 nan 8.290 nan 0.000 0.405 123 R N 0.785 121.292 120.500 0.012 0.000 2.113 123 R HA -0.179 4.161 4.340 0.001 0.000 0.244 123 R C 1.824 178.041 176.300 -0.137 0.000 1.142 123 R CA 2.547 58.623 56.100 -0.039 0.000 0.953 123 R CB -0.759 29.536 30.300 -0.009 0.000 0.860 123 R HN 0.614 nan 8.270 nan 0.000 0.438 124 E N -0.255 119.862 120.200 -0.138 0.000 2.077 124 E HA -0.238 4.112 4.350 0.001 0.000 0.193 124 E C 2.166 178.354 176.600 -0.688 0.000 0.989 124 E CA 1.465 57.637 56.400 -0.380 0.000 0.800 124 E CB -0.124 29.507 29.700 -0.114 0.000 0.746 124 E HN 0.542 nan 8.360 nan 0.000 0.452 125 Q N 0.523 120.205 119.800 -0.196 0.000 2.046 125 Q HA -0.126 4.215 4.340 0.001 0.000 0.200 125 Q C 2.468 178.419 176.000 -0.081 0.000 0.975 125 Q CA 0.967 56.787 55.803 0.029 0.000 0.836 125 Q CB -0.143 28.664 28.738 0.116 0.000 0.896 125 Q HN 0.279 nan 8.270 nan 0.000 0.428 126 L N 0.930 122.065 121.223 -0.147 0.000 2.043 126 L HA -0.258 4.083 4.340 0.001 0.000 0.212 126 L C 1.956 178.748 176.870 -0.130 0.000 1.075 126 L CA 1.015 55.773 54.840 -0.137 0.000 0.752 126 L CB -0.555 41.427 42.059 -0.128 0.000 0.891 126 L HN 0.255 nan 8.230 nan 0.000 0.432 127 N N 0.016 118.581 118.700 -0.225 0.000 2.069 127 N HA -0.187 4.554 4.740 0.001 0.000 0.191 127 N C 1.740 177.154 175.510 -0.160 0.000 1.031 127 N CA 1.464 54.376 53.050 -0.230 0.000 0.852 127 N CB -0.584 37.700 38.487 -0.337 0.000 1.018 127 N HN 0.242 nan 8.380 nan 0.000 0.423 128 F N 0.386 120.284 119.950 -0.088 0.000 2.087 128 F HA -0.217 4.311 4.527 0.000 0.000 0.299 128 F C 2.186 177.932 175.800 -0.090 0.000 1.100 128 F CA 0.484 58.421 58.000 -0.105 0.000 1.226 128 F CB -0.369 38.544 39.000 -0.145 0.000 0.983 128 F HN 0.074 nan 8.300 nan 0.000 0.479 129 L N 0.566 121.844 121.223 0.092 0.000 2.056 129 L HA -0.053 4.287 4.340 0.001 0.000 0.207 129 L C 2.424 179.290 176.870 -0.007 0.000 1.078 129 L CA 1.755 56.605 54.840 0.017 0.000 0.749 129 L CB -1.173 40.881 42.059 -0.009 0.000 0.901 129 L HN 0.045 nan 8.230 nan 0.000 0.433 130 A N -0.446 122.370 122.820 -0.008 0.000 1.892 130 A HA -0.276 4.045 4.320 0.001 0.000 0.218 130 A C 2.141 179.729 177.584 0.005 0.000 1.188 130 A CA 2.175 54.211 52.037 -0.001 0.000 0.631 130 A CB -0.757 18.234 19.000 -0.015 0.000 0.822 130 A HN 0.649 nan 8.150 nan 0.000 0.447 131 E N -0.515 119.688 120.200 0.005 0.000 2.418 131 E HA -0.084 4.266 4.350 0.001 0.000 0.197 131 E C 1.122 177.713 176.600 -0.015 0.000 1.026 131 E CA 0.459 56.863 56.400 0.008 0.000 0.862 131 E CB 0.007 29.718 29.700 0.018 0.000 0.799 131 E HN 0.535 nan 8.360 nan 0.000 0.518 132 E N 0.061 120.240 120.200 -0.035 0.000 2.502 132 E HA 0.016 4.367 4.350 0.001 0.000 0.194 132 E C 0.938 177.435 176.600 -0.172 0.000 1.062 132 E CA 0.426 56.773 56.400 -0.089 0.000 0.867 132 E CB 0.433 30.085 29.700 -0.081 0.000 0.888 132 E HN 0.297 nan 8.360 nan 0.000 0.510 133 L N 0.680 121.830 121.223 -0.120 0.000 3.289 133 L HA 0.150 4.490 4.340 0.001 0.000 0.291 133 L C 0.328 177.284 176.870 0.142 0.000 1.279 133 L CA -0.238 54.512 54.840 -0.150 0.000 1.025 133 L CB 0.674 42.671 42.059 -0.103 0.000 1.413 133 L HN -0.114 nan 8.230 nan 0.000 0.593 134 T N -3.014 111.634 114.554 0.157 0.000 2.922 134 T HA 0.274 4.624 4.350 0.001 0.000 0.285 134 T C 1.685 176.722 174.700 0.561 0.000 1.005 134 T CA -0.254 62.024 62.100 0.298 0.000 1.061 134 T CB 2.135 71.071 68.868 0.113 0.000 1.007 134 T HN 0.010 nan 8.240 nan 0.000 0.502 135 V N 0.466 120.566 119.914 0.309 0.000 2.277 135 V HA -0.265 3.856 4.120 0.001 0.000 0.255 135 V C 2.847 179.049 176.094 0.179 0.000 1.074 135 V CA 2.149 64.441 62.300 -0.013 0.000 1.058 135 V CB -2.039 29.720 31.823 -0.105 0.000 0.656 135 V HN 1.080 nan 8.190 nan 0.000 0.449 136 A N 0.250 123.106 122.820 0.060 0.000 2.076 136 A HA -0.156 4.165 4.320 0.001 0.000 0.220 136 A C 2.052 179.596 177.584 -0.067 0.000 1.160 136 A CA 1.912 53.922 52.037 -0.045 0.000 0.653 136 A CB -0.496 18.481 19.000 -0.038 0.000 0.801 136 A HN 0.647 nan 8.150 nan 0.000 0.455 137 K N -0.932 119.450 120.400 -0.031 0.000 2.417 137 K HA 0.143 4.464 4.320 0.001 0.000 0.196 137 K C -0.276 175.917 176.600 -0.679 0.000 1.023 137 K CA 0.076 56.203 56.287 -0.267 0.000 1.122 137 K CB -0.156 32.173 32.500 -0.286 0.000 0.850 137 K HN 0.523 nan 8.250 nan 0.000 0.521 138 F N 2.839 122.406 119.950 -0.638 0.000 2.663 138 F HA 0.030 4.557 4.527 0.001 0.000 0.299 138 F C 1.037 176.506 175.800 -0.551 0.000 1.143 138 F CA -0.625 56.849 58.000 -0.877 0.000 1.387 138 F CB -0.202 38.631 39.000 -0.279 0.000 1.019 138 F HN -0.022 nan 8.300 nan 0.000 0.523 139 Q N 1.331 120.953 119.800 -0.297 0.000 2.289 139 Q HA -0.011 4.329 4.340 0.001 0.000 0.273 139 Q C 0.316 176.399 176.000 0.138 0.000 1.029 139 Q CA 0.084 55.844 55.803 -0.073 0.000 0.896 139 Q CB -0.145 28.553 28.738 -0.067 0.000 1.182 139 Q HN 0.620 nan 8.270 nan 0.000 0.385 140 N N 0.759 119.558 118.700 0.166 0.000 2.721 140 N HA -0.240 4.500 4.740 0.001 0.000 0.249 140 N C -1.153 174.584 175.510 0.379 0.000 1.072 140 N CA 1.310 54.489 53.050 0.215 0.000 0.710 140 N CB -1.989 36.583 38.487 0.142 0.000 0.993 140 N HN 0.484 nan 8.380 nan 0.000 0.547 141 F N -0.776 119.240 119.950 0.110 0.000 2.317 141 F HA 0.460 4.987 4.527 0.000 0.000 0.290 141 F C 2.600 178.459 175.800 0.098 0.000 1.075 141 F CA 0.640 58.709 58.000 0.115 0.000 1.380 141 F CB -0.903 38.214 39.000 0.195 0.000 1.093 141 F HN 0.379 nan 8.300 nan 0.000 0.524 142 A N 0.926 123.932 122.820 0.309 0.000 1.865 142 A HA -0.157 4.163 4.320 0.001 0.000 0.217 142 A C -0.171 177.473 177.584 0.101 0.000 1.191 142 A CA 1.932 54.067 52.037 0.165 0.000 0.623 142 A CB -2.071 17.012 19.000 0.138 0.000 0.826 142 A HN 0.216 nan 8.150 nan 0.000 0.444 143 P HA -0.089 nan 4.420 nan 0.000 0.215 143 P C 1.742 179.085 177.300 0.072 0.000 1.157 143 P CA 1.826 64.974 63.100 0.079 0.000 0.868 143 P CB -0.169 31.573 31.700 0.070 0.000 0.788 144 S N -0.475 115.253 115.700 0.048 0.000 2.359 144 S HA -0.157 4.313 4.470 0.001 0.000 0.224 144 S C 1.908 176.517 174.600 0.016 0.000 1.035 144 S CA 1.256 59.460 58.200 0.007 0.000 1.018 144 S CB -1.213 61.937 63.200 -0.084 0.000 0.876 144 S HN 0.124 nan 8.310 nan 0.000 0.448 145 I N 1.552 122.116 120.570 -0.011 0.000 2.179 145 I HA -0.249 3.921 4.170 0.001 0.000 0.242 145 I C 2.712 178.826 176.117 -0.005 0.000 1.088 145 I CA 1.300 62.579 61.300 -0.034 0.000 1.357 145 I CB -0.525 37.449 38.000 -0.044 0.000 1.051 145 I HN 0.328 nan 8.210 nan 0.000 0.409 146 Q N -0.302 119.515 119.800 0.028 0.000 2.170 146 Q HA -0.281 4.059 4.340 0.001 0.000 0.203 146 Q C 2.164 178.198 176.000 0.057 0.000 0.976 146 Q CA 1.793 57.618 55.803 0.037 0.000 0.858 146 Q CB -0.294 28.474 28.738 0.051 0.000 0.907 146 Q HN 0.565 nan 8.270 nan 0.000 0.433 147 H N 0.691 119.754 119.070 -0.012 0.000 2.357 147 H HA -0.090 4.466 4.556 0.001 0.000 0.301 147 H C 1.831 177.149 175.328 -0.016 0.000 1.082 147 H CA 1.499 57.541 56.048 -0.009 0.000 1.342 147 H CB 0.370 30.125 29.762 -0.011 0.000 1.389 147 H HN 0.112 nan 8.280 nan 0.000 0.511 148 E N -0.087 120.105 120.200 -0.013 0.000 2.072 148 E HA -0.087 4.263 4.350 0.001 0.000 0.190 148 E C 2.596 179.142 176.600 -0.089 0.000 0.982 148 E CA 0.984 57.343 56.400 -0.068 0.000 0.803 148 E CB -0.431 29.244 29.700 -0.042 0.000 0.755 148 E HN 0.355 nan 8.360 nan 0.000 0.453 149 V N 1.319 121.181 119.914 -0.086 0.000 2.392 149 V HA -0.246 3.875 4.120 0.001 0.000 0.249 149 V C 2.363 178.415 176.094 -0.070 0.000 1.059 149 V CA 1.840 64.081 62.300 -0.099 0.000 1.051 149 V CB -0.446 31.336 31.823 -0.069 0.000 0.658 149 V HN 0.146 nan 8.190 nan 0.000 0.455 150 R N -0.209 120.253 120.500 -0.064 0.000 2.093 150 R HA -0.046 4.295 4.340 0.001 0.000 0.224 150 R C 2.460 178.701 176.300 -0.099 0.000 1.101 150 R CA 0.923 56.993 56.100 -0.050 0.000 0.979 150 R CB -0.277 30.003 30.300 -0.032 0.000 0.877 150 R HN 0.408 nan 8.270 nan 0.000 0.441 151 K N 0.271 120.571 120.400 -0.166 0.000 2.097 151 K HA -0.173 4.147 4.320 0.001 0.000 0.206 151 K C 1.758 178.276 176.600 -0.136 0.000 1.049 151 K CA 1.310 57.492 56.287 -0.175 0.000 0.933 151 K CB -0.065 32.296 32.500 -0.231 0.000 0.717 151 K HN 0.102 nan 8.250 nan 0.000 0.442 152 F N 1.240 121.025 119.950 -0.275 0.000 2.128 152 F HA -0.106 4.421 4.527 0.001 0.000 0.295 152 F C 2.153 177.640 175.800 -0.522 0.000 1.100 152 F CA 1.265 59.049 58.000 -0.360 0.000 1.260 152 F CB -0.033 38.735 39.000 -0.387 0.000 1.009 152 F HN -0.060 nan 8.300 nan 0.000 0.476 153 M N 0.220 119.641 119.600 -0.298 0.000 2.086 153 M HA -0.238 4.243 4.480 0.001 0.000 0.261 153 M C 2.141 178.309 176.300 -0.221 0.000 1.067 153 M CA 1.806 56.833 55.300 -0.455 0.000 1.116 153 M CB -0.620 31.897 32.600 -0.138 0.000 1.348 153 M HN 0.016 nan 8.290 nan 0.000 0.407 154 K N 0.301 120.637 120.400 -0.107 0.000 2.555 154 K HA 0.001 4.321 4.320 0.001 0.000 0.193 154 K C 1.266 177.797 176.600 -0.116 0.000 1.032 154 K CA 0.728 56.986 56.287 -0.049 0.000 1.004 154 K CB 0.185 32.667 32.500 -0.029 0.000 0.804 154 K HN 0.295 nan 8.250 nan 0.000 0.496 155 A N 0.457 123.128 122.820 -0.249 0.000 1.984 155 A HA 0.110 4.430 4.320 0.001 0.000 0.203 155 A C 1.345 178.736 177.584 -0.322 0.000 1.292 155 A CA 0.166 52.037 52.037 -0.276 0.000 0.782 155 A CB 0.163 18.960 19.000 -0.339 0.000 0.924 155 A HN 0.305 nan 8.150 nan 0.000 0.475 156 N N -1.733 116.642 118.700 -0.542 0.000 2.227 156 N HA 0.043 4.783 4.740 0.001 0.000 0.196 156 N C -0.874 174.622 175.510 -0.024 0.000 1.142 156 N CA 0.107 52.897 53.050 -0.433 0.000 0.887 156 N CB 0.616 38.602 38.487 -0.835 0.000 1.022 156 N HN 0.544 nan 8.380 nan 0.000 0.500 157 W N 2.746 123.911 121.300 -0.224 0.000 1.950 157 W HA 0.338 4.998 4.660 0.001 0.000 0.289 157 W C 0.455 176.962 176.519 -0.020 0.000 0.883 157 W CA -1.053 56.117 57.345 -0.291 0.000 2.031 157 W CB -0.878 27.997 29.460 -0.975 0.000 2.266 157 W HN 0.064 nan 8.180 nan 0.000 0.400 158 N N 0.282 119.141 118.700 0.265 0.000 2.230 158 N HA 0.018 4.758 4.740 0.001 0.000 0.202 158 N C 0.065 175.705 175.510 0.216 0.000 1.119 158 N CA 0.032 53.198 53.050 0.194 0.000 0.851 158 N CB 0.529 39.075 38.487 0.098 0.000 0.990 158 N HN 0.113 nan 8.380 nan 0.000 0.497 159 K N 0.298 120.898 120.400 0.333 0.000 2.123 159 K HA 0.206 4.526 4.320 0.001 0.000 0.248 159 K C -0.030 176.737 176.600 0.277 0.000 0.969 159 K CA -0.694 55.743 56.287 0.251 0.000 0.882 159 K CB 1.263 33.881 32.500 0.197 0.000 1.080 159 K HN -0.233 nan 8.250 nan 0.000 0.441 160 D N 1.350 121.833 120.400 0.138 0.000 2.133 160 D HA -0.222 4.419 4.640 0.001 0.000 0.192 160 D C 0.071 176.435 176.300 0.107 0.000 1.001 160 D CA 1.647 55.703 54.000 0.094 0.000 0.844 160 D CB 0.081 40.900 40.800 0.032 0.000 0.944 160 D HN 0.627 nan 8.370 nan 0.000 0.447 161 E N -1.222 118.980 120.200 0.002 0.000 2.343 161 E HA 0.649 4.999 4.350 0.001 0.000 0.278 161 E C -0.626 175.635 176.600 -0.566 0.000 0.910 161 E CA -1.158 55.090 56.400 -0.253 0.000 0.757 161 E CB 2.145 31.734 29.700 -0.185 0.000 1.218 161 E HN 0.064 nan 8.360 nan 0.000 0.435 162 G N 1.023 108.974 108.800 -1.415 0.000 2.718 162 G HA2 0.370 4.330 3.960 0.001 0.000 0.295 162 G HA3 0.370 4.330 3.960 0.001 0.000 0.295 162 G C -1.659 172.792 174.900 -0.749 0.000 1.421 162 G CA -0.780 43.705 45.100 -1.026 0.000 0.902 162 G HN 0.562 nan 8.290 nan 0.000 0.501 163 E N 0.532 120.564 120.200 -0.279 0.000 2.146 163 E HA 0.584 4.934 4.350 0.001 0.000 0.282 163 E C -0.088 176.514 176.600 0.005 0.000 0.989 163 E CA -0.650 55.676 56.400 -0.123 0.000 0.799 163 E CB 0.922 30.576 29.700 -0.077 0.000 1.088 163 E HN 0.573 nan 8.360 nan 0.000 0.397 164 I N 1.006 121.605 120.570 0.049 0.000 3.174 164 I HA 0.501 4.672 4.170 0.001 0.000 0.313 164 I C -1.048 175.116 176.117 0.079 0.000 1.155 164 I CA -1.220 60.160 61.300 0.134 0.000 0.977 164 I CB 2.212 40.375 38.000 0.273 0.000 1.248 164 I HN 0.301 nan 8.210 nan 0.000 0.453 165 N N 2.617 121.374 118.700 0.096 0.000 2.527 165 N HA 0.202 4.943 4.740 0.001 0.000 0.236 165 N C 0.392 175.923 175.510 0.035 0.000 0.999 165 N CA -0.303 52.767 53.050 0.034 0.000 0.935 165 N CB 1.315 39.815 38.487 0.023 0.000 1.132 165 N HN 0.834 nan 8.380 nan 0.000 0.511 166 I N 4.538 125.086 120.570 -0.037 0.000 2.454 166 I HA -0.184 3.987 4.170 0.001 0.000 0.254 166 I C 1.728 177.787 176.117 -0.097 0.000 1.156 166 I CA 0.835 62.090 61.300 -0.075 0.000 1.433 166 I CB -0.072 37.779 38.000 -0.249 0.000 1.082 166 I HN 0.558 nan 8.210 nan 0.000 0.432 167 L N 0.330 121.477 121.223 -0.126 0.000 2.027 167 L HA -0.186 4.154 4.340 0.001 0.000 0.206 167 L C 2.060 178.872 176.870 -0.097 0.000 1.074 167 L CA 1.935 56.684 54.840 -0.150 0.000 0.745 167 L CB -1.072 40.879 42.059 -0.181 0.000 0.898 167 L HN 0.234 nan 8.230 nan 0.000 0.433 168 D N -0.343 120.031 120.400 -0.044 0.000 2.097 168 D HA -0.165 4.476 4.640 0.001 0.000 0.197 168 D C 1.718 178.013 176.300 -0.008 0.000 0.984 168 D CA 1.463 55.456 54.000 -0.012 0.000 0.826 168 D CB -0.123 40.697 40.800 0.033 0.000 0.973 168 D HN 0.389 nan 8.370 nan 0.000 0.460 169 D N -0.369 120.062 120.400 0.050 0.000 2.219 169 D HA -0.076 4.564 4.640 0.001 0.000 0.205 169 D C 2.105 178.227 176.300 -0.296 0.000 0.970 169 D CA 0.384 54.400 54.000 0.026 0.000 0.851 169 D CB -0.314 40.724 40.800 0.396 0.000 0.943 169 D HN 0.225 nan 8.370 nan 0.000 0.488 170 C N -0.408 118.785 119.300 -0.178 0.000 2.466 170 C HA -0.018 4.443 4.460 0.001 0.000 0.278 170 C C 2.912 177.760 174.990 -0.236 0.000 1.288 170 C CA 0.553 59.438 59.018 -0.222 0.000 1.722 170 C CB -0.786 26.859 27.740 -0.158 0.000 2.017 170 C HN 0.304 nan 8.230 nan 0.000 0.488 171 S N 0.659 116.248 115.700 -0.186 0.000 2.383 171 S HA -0.144 4.327 4.470 0.001 0.000 0.229 171 S C 2.013 176.503 174.600 -0.184 0.000 1.030 171 S CA 1.630 59.727 58.200 -0.172 0.000 1.002 171 S CB -0.283 62.842 63.200 -0.126 0.000 0.829 171 S HN 0.616 nan 8.310 nan 0.000 0.467 172 A N 1.504 124.197 122.820 -0.212 0.000 1.841 172 A HA -0.018 4.303 4.320 0.001 0.000 0.214 172 A C 2.246 179.623 177.584 -0.346 0.000 1.195 172 A CA 1.662 53.568 52.037 -0.218 0.000 0.611 172 A CB -0.725 18.186 19.000 -0.148 0.000 0.835 172 A HN 0.610 nan 8.150 nan 0.000 0.443 173 M N -0.581 118.649 119.600 -0.616 0.000 2.149 173 M HA -0.121 4.359 4.480 0.001 0.000 0.261 173 M C 1.959 178.082 176.300 -0.295 0.000 1.064 173 M CA 1.145 56.117 55.300 -0.547 0.000 1.102 173 M CB -0.473 31.737 32.600 -0.650 0.000 1.369 173 M HN 0.308 nan 8.290 nan 0.000 0.408 174 I N 0.021 120.441 120.570 -0.250 0.000 2.202 174 I HA -0.226 3.944 4.170 0.001 0.000 0.242 174 I C 2.462 178.491 176.117 -0.147 0.000 1.091 174 I CA 1.391 62.581 61.300 -0.183 0.000 1.368 174 I CB -0.927 36.972 38.000 -0.168 0.000 1.058 174 I HN 0.267 nan 8.210 nan 0.000 0.410 175 I N 1.700 122.191 120.570 -0.131 0.000 2.252 175 I HA -0.259 3.911 4.170 0.001 0.000 0.245 175 I C 2.106 178.180 176.117 -0.072 0.000 1.102 175 I CA 1.523 62.779 61.300 -0.074 0.000 1.385 175 I CB -0.566 37.423 38.000 -0.019 0.000 1.064 175 I HN 0.178 nan 8.210 nan 0.000 0.414 176 N N 0.322 118.974 118.700 -0.081 0.000 2.069 176 N HA -0.200 4.541 4.740 0.001 0.000 0.191 176 N C 1.973 177.426 175.510 -0.095 0.000 1.031 176 N CA 2.359 55.371 53.050 -0.063 0.000 0.852 176 N CB -1.147 37.304 38.487 -0.060 0.000 1.018 176 N HN 0.616 nan 8.380 nan 0.000 0.423 177 T N -1.890 112.588 114.554 -0.125 0.000 2.904 177 T HA 0.159 4.509 4.350 0.001 0.000 0.267 177 T C 1.983 176.578 174.700 -0.176 0.000 1.059 177 T CA 1.060 63.075 62.100 -0.141 0.000 1.137 177 T CB -0.369 68.413 68.868 -0.143 0.000 0.879 177 T HN 0.178 nan 8.240 nan 0.000 0.467 178 A N 0.701 123.427 122.820 -0.157 0.000 1.902 178 A HA -0.001 4.319 4.320 0.001 0.000 0.217 178 A C 2.749 180.108 177.584 -0.375 0.000 1.181 178 A CA 1.439 53.389 52.037 -0.145 0.000 0.623 178 A CB -1.401 17.546 19.000 -0.089 0.000 0.818 178 A HN 0.698 nan 8.150 nan 0.000 0.443 179 C N -1.540 117.518 119.300 -0.402 0.000 2.446 179 C HA -0.058 4.402 4.460 0.001 0.000 0.277 179 C C 2.782 177.551 174.990 -0.368 0.000 1.275 179 C CA 1.312 59.973 59.018 -0.595 0.000 1.727 179 C CB -1.065 26.580 27.740 -0.159 0.000 2.010 179 C HN 0.736 nan 8.230 nan 0.000 0.486 180 Q N -0.136 119.534 119.800 -0.216 0.000 2.297 180 Q HA -0.147 4.194 4.340 0.001 0.000 0.208 180 Q C 1.939 177.780 176.000 -0.265 0.000 0.981 180 Q CA 1.879 57.587 55.803 -0.157 0.000 0.876 180 Q CB -0.328 28.349 28.738 -0.102 0.000 0.921 180 Q HN 0.752 nan 8.270 nan 0.000 0.446 181 C N -1.751 117.286 119.300 -0.438 0.000 2.513 181 C HA 0.217 4.677 4.460 0.001 0.000 0.292 181 C C 2.075 176.722 174.990 -0.572 0.000 1.359 181 C CA -0.120 58.423 59.018 -0.791 0.000 1.778 181 C CB -0.533 26.452 27.740 -1.258 0.000 2.180 181 C HN 0.449 nan 8.230 nan 0.000 0.509 182 L N -0.839 120.085 121.223 -0.498 0.000 2.567 182 L HA 0.258 4.599 4.340 0.001 0.000 0.225 182 L C -0.088 176.683 176.870 -0.165 0.000 1.119 182 L CA 0.520 55.136 54.840 -0.373 0.000 0.871 182 L CB -0.140 41.601 42.059 -0.530 0.000 1.036 182 L HN 0.300 nan 8.230 nan 0.000 0.459 183 F N -0.093 119.756 119.950 -0.168 0.000 2.458 183 F HA 0.468 4.995 4.527 0.001 0.000 0.336 183 F C 1.233 176.971 175.800 -0.103 0.000 1.114 183 F CA -1.168 56.747 58.000 -0.142 0.000 0.987 183 F CB 1.338 40.236 39.000 -0.169 0.000 1.130 183 F HN -0.135 nan 8.300 nan 0.000 0.458 184 G N 1.401 110.273 108.800 0.120 0.000 2.683 184 G HA2 -0.015 3.945 3.960 0.001 0.000 0.260 184 G HA3 -0.015 3.945 3.960 0.001 0.000 0.260 184 G C 0.669 175.587 174.900 0.031 0.000 1.238 184 G CA -0.235 44.892 45.100 0.045 0.000 0.934 184 G HN 0.828 nan 8.290 nan 0.000 0.534 185 E N -0.522 119.683 120.200 0.010 0.000 2.046 185 E HA -0.163 4.187 4.350 0.001 0.000 0.190 185 E C 1.993 178.589 176.600 -0.008 0.000 0.982 185 E CA 1.392 57.793 56.400 0.002 0.000 0.800 185 E CB -0.048 29.650 29.700 -0.004 0.000 0.756 185 E HN 0.572 nan 8.360 nan 0.000 0.449 186 D N 0.777 121.167 120.400 -0.016 0.000 2.263 186 D HA -0.195 4.446 4.640 0.001 0.000 0.208 186 D C 1.979 178.251 176.300 -0.046 0.000 0.971 186 D CA 0.504 54.488 54.000 -0.026 0.000 0.867 186 D CB -0.304 40.480 40.800 -0.026 0.000 0.929 186 D HN 0.276 nan 8.370 nan 0.000 0.492 187 L N 0.087 121.271 121.223 -0.065 0.000 2.162 187 L HA 0.154 4.494 4.340 0.001 0.000 0.205 187 L C 2.218 179.009 176.870 -0.131 0.000 1.086 187 L CA 1.110 55.868 54.840 -0.137 0.000 0.778 187 L CB -0.193 41.731 42.059 -0.226 0.000 0.928 187 L HN -0.173 nan 8.230 nan 0.000 0.446 188 R N -0.629 119.840 120.500 -0.053 0.000 2.193 188 R HA -0.084 4.256 4.340 0.001 0.000 0.213 188 R C 2.119 178.417 176.300 -0.003 0.000 1.055 188 R CA 0.838 56.935 56.100 -0.005 0.000 0.995 188 R CB -0.163 30.167 30.300 0.051 0.000 0.893 188 R HN 0.326 nan 8.270 nan 0.000 0.459 189 K N 0.992 121.385 120.400 -0.012 0.000 2.031 189 K HA -0.156 4.165 4.320 0.001 0.000 0.205 189 K C 2.205 178.800 176.600 -0.009 0.000 1.049 189 K CA 1.173 57.457 56.287 -0.005 0.000 0.939 189 K CB 0.102 32.598 32.500 -0.007 0.000 0.717 189 K HN -0.132 nan 8.250 nan 0.000 0.438 190 R N 0.542 121.028 120.500 -0.023 0.000 2.115 190 R HA 0.031 4.371 4.340 0.001 0.000 0.226 190 R C -0.193 176.098 176.300 -0.016 0.000 1.100 190 R CA 0.977 57.065 56.100 -0.021 0.000 0.980 190 R CB -0.116 30.164 30.300 -0.032 0.000 0.875 190 R HN 0.189 nan 8.270 nan 0.000 0.445 191 L N 2.011 123.216 121.223 -0.029 0.000 2.518 191 L HA 0.356 4.697 4.340 0.001 0.000 0.262 191 L C -1.417 175.460 176.870 0.013 0.000 0.982 191 L CA -0.743 54.093 54.840 -0.006 0.000 0.873 191 L CB 1.231 43.272 42.059 -0.029 0.000 1.198 191 L HN 0.257 nan 8.230 nan 0.000 0.427 192 D N 3.406 123.840 120.400 0.056 0.000 2.447 192 D HA 0.314 4.954 4.640 0.001 0.000 0.265 192 D C 1.020 177.406 176.300 0.142 0.000 1.250 192 D CA 0.201 54.249 54.000 0.080 0.000 1.046 192 D CB 1.094 41.932 40.800 0.063 0.000 1.095 192 D HN 0.459 nan 8.370 nan 0.000 0.555 193 A N -0.062 122.839 122.820 0.134 0.000 1.902 193 A HA -0.157 4.164 4.320 0.001 0.000 0.217 193 A C 2.338 180.025 177.584 0.171 0.000 1.181 193 A CA 1.652 53.785 52.037 0.161 0.000 0.623 193 A CB -0.640 18.414 19.000 0.090 0.000 0.818 193 A HN 0.623 nan 8.150 nan 0.000 0.443 194 R N -0.935 119.635 120.500 0.117 0.000 2.115 194 R HA -0.103 4.238 4.340 0.001 0.000 0.230 194 R C 2.270 178.628 176.300 0.097 0.000 1.111 194 R CA 1.272 57.428 56.100 0.094 0.000 0.976 194 R CB -0.102 30.238 30.300 0.066 0.000 0.870 194 R HN 0.547 nan 8.270 nan 0.000 0.445 195 Q N -0.521 119.345 119.800 0.110 0.000 2.083 195 Q HA -0.164 4.176 4.340 0.001 0.000 0.198 195 Q C 1.870 177.943 176.000 0.122 0.000 0.969 195 Q CA 1.210 57.069 55.803 0.094 0.000 0.838 195 Q CB -0.399 28.388 28.738 0.082 0.000 0.900 195 Q HN 0.323 nan 8.270 nan 0.000 0.436 196 F N 1.816 121.794 119.950 0.047 0.000 2.095 196 F HA -0.232 4.296 4.527 0.000 0.000 0.298 196 F C 2.275 178.116 175.800 0.069 0.000 1.104 196 F CA 1.512 59.552 58.000 0.067 0.000 1.232 196 F CB -0.251 38.829 39.000 0.133 0.000 0.987 196 F HN 0.080 nan 8.300 nan 0.000 0.475 197 A N 0.105 123.016 122.820 0.152 0.000 1.927 197 A HA -0.341 3.980 4.320 0.001 0.000 0.220 197 A C 2.103 179.652 177.584 -0.058 0.000 1.185 197 A CA 2.293 54.352 52.037 0.037 0.000 0.639 197 A CB -1.036 18.009 19.000 0.074 0.000 0.820 197 A HN 0.659 nan 8.150 nan 0.000 0.451 198 Q N -0.629 119.150 119.800 -0.036 0.000 2.050 198 Q HA -0.128 4.212 4.340 0.001 0.000 0.202 198 Q C 2.181 178.125 176.000 -0.094 0.000 0.980 198 Q CA 1.539 57.316 55.803 -0.042 0.000 0.840 198 Q CB -0.372 28.358 28.738 -0.013 0.000 0.898 198 Q HN 0.718 nan 8.270 nan 0.000 0.424 199 L N 0.456 121.579 121.223 -0.167 0.000 2.012 199 L HA -0.243 4.097 4.340 0.001 0.000 0.210 199 L C 2.440 179.160 176.870 -0.250 0.000 1.073 199 L CA 1.020 55.731 54.840 -0.215 0.000 0.748 199 L CB -0.555 41.328 42.059 -0.293 0.000 0.891 199 L HN 0.278 nan 8.230 nan 0.000 0.431 200 L N -0.326 120.674 121.223 -0.372 0.000 1.970 200 L HA -0.267 4.073 4.340 0.001 0.000 0.212 200 L C 2.914 179.754 176.870 -0.050 0.000 1.071 200 L CA 1.517 56.225 54.840 -0.220 0.000 0.751 200 L CB -0.667 41.286 42.059 -0.178 0.000 0.889 200 L HN 0.283 nan 8.230 nan 0.000 0.432 201 A N -0.286 122.519 122.820 -0.026 0.000 1.908 201 A HA -0.270 4.051 4.320 0.001 0.000 0.218 201 A C 2.275 179.859 177.584 0.000 0.000 1.181 201 A CA 2.004 54.053 52.037 0.020 0.000 0.627 201 A CB -0.457 18.554 19.000 0.019 0.000 0.818 201 A HN 0.349 nan 8.150 nan 0.000 0.445 202 K N -1.145 119.239 120.400 -0.027 0.000 2.147 202 K HA -0.059 4.261 4.320 0.001 0.000 0.205 202 K C 2.012 178.594 176.600 -0.030 0.000 1.049 202 K CA 1.703 57.976 56.287 -0.023 0.000 0.936 202 K CB -0.224 32.258 32.500 -0.029 0.000 0.722 202 K HN 0.554 nan 8.250 nan 0.000 0.446 203 M N -0.093 119.477 119.600 -0.050 0.000 2.334 203 M HA -0.076 4.405 4.480 0.001 0.000 0.266 203 M C 1.500 177.760 176.300 -0.067 0.000 1.082 203 M CA 1.230 56.490 55.300 -0.067 0.000 1.141 203 M CB 0.070 32.616 32.600 -0.090 0.000 1.380 203 M HN 0.086 nan 8.290 nan 0.000 0.440 204 E N 0.397 120.586 120.200 -0.018 0.000 2.347 204 E HA -0.097 4.253 4.350 0.001 0.000 0.196 204 E C 1.862 178.464 176.600 0.004 0.000 1.008 204 E CA 1.199 57.608 56.400 0.015 0.000 0.852 204 E CB -0.002 29.783 29.700 0.142 0.000 0.783 204 E HN 0.474 nan 8.360 nan 0.000 0.505 205 S N -0.405 115.294 115.700 -0.003 0.000 2.555 205 S HA -0.081 4.390 4.470 0.001 0.000 0.230 205 S C 1.781 176.373 174.600 -0.014 0.000 0.978 205 S CA 0.211 58.410 58.200 -0.001 0.000 0.934 205 S CB 0.024 63.227 63.200 0.004 0.000 0.766 205 S HN 0.291 nan 8.310 nan 0.000 0.533 206 C N 1.239 120.519 119.300 -0.033 0.000 3.000 206 C HA 0.520 4.981 4.460 0.001 0.000 0.286 206 C C 0.350 175.316 174.990 -0.040 0.000 1.343 206 C CA -0.812 58.180 59.018 -0.043 0.000 1.742 206 C CB -1.727 25.976 27.740 -0.062 0.000 2.200 206 C HN 0.598 nan 8.230 nan 0.000 0.621 207 L N 2.625 123.830 121.223 -0.031 0.000 2.334 207 L HA 0.408 4.749 4.340 0.001 0.000 0.286 207 L C -0.424 176.457 176.870 0.019 0.000 1.108 207 L CA 0.303 55.154 54.840 0.018 0.000 0.875 207 L CB 0.348 42.401 42.059 -0.010 0.000 1.246 207 L HN 0.230 nan 8.230 nan 0.000 0.439 208 I N 5.132 125.700 120.570 -0.004 0.000 2.388 208 I HA 0.217 4.387 4.170 0.001 0.000 0.281 208 I C -1.565 174.357 176.117 -0.325 0.000 1.046 208 I CA -1.759 59.471 61.300 -0.116 0.000 1.187 208 I CB 1.261 39.197 38.000 -0.107 0.000 1.351 208 I HN 0.320 nan 8.210 nan 0.000 0.472 209 P HA -0.183 nan 4.420 nan 0.000 0.218 209 P C 1.585 178.491 177.300 -0.656 0.000 1.148 209 P CA 0.987 63.577 63.100 -0.849 0.000 0.822 209 P CB 0.333 31.783 31.700 -0.416 0.000 0.784 210 A N 0.094 122.719 122.820 -0.326 0.000 2.131 210 A HA -0.082 4.238 4.320 0.001 0.000 0.220 210 A C 2.205 179.604 177.584 -0.309 0.000 1.158 210 A CA 1.579 53.507 52.037 -0.182 0.000 0.665 210 A CB -1.459 17.501 19.000 -0.067 0.000 0.795 210 A HN 0.206 nan 8.150 nan 0.000 0.460 211 A N -0.526 122.059 122.820 -0.391 0.000 2.131 211 A HA 0.012 4.333 4.320 0.001 0.000 0.220 211 A C 2.018 179.406 177.584 -0.328 0.000 1.158 211 A CA 1.582 53.421 52.037 -0.330 0.000 0.665 211 A CB -0.648 18.240 19.000 -0.187 0.000 0.795 211 A HN 0.388 nan 8.150 nan 0.000 0.460 212 V N -1.723 117.873 119.914 -0.531 0.000 2.626 212 V HA -0.185 3.935 4.120 0.001 0.000 0.252 212 V C 1.862 177.597 176.094 -0.598 0.000 1.067 212 V CA 1.816 63.760 62.300 -0.592 0.000 1.081 212 V CB -0.823 30.452 31.823 -0.913 0.000 0.686 212 V HN 0.687 nan 8.190 nan 0.000 0.468 213 F N -1.461 118.400 119.950 -0.149 0.000 2.720 213 F HA 0.343 4.870 4.527 0.001 0.000 0.301 213 F C 0.627 176.337 175.800 -0.151 0.000 1.103 213 F CA 0.025 57.954 58.000 -0.119 0.000 1.291 213 F CB 0.557 39.495 39.000 -0.104 0.000 1.086 213 F HN -0.068 nan 8.300 nan 0.000 0.592 214 L N 2.588 123.699 121.223 -0.186 0.000 2.488 214 L HA 0.277 4.618 4.340 0.001 0.000 0.250 214 L C -1.944 174.572 176.870 -0.591 0.000 1.280 214 L CA -1.174 53.326 54.840 -0.568 0.000 0.929 214 L CB 0.473 41.981 42.059 -0.920 0.000 1.200 214 L HN -0.170 nan 8.230 nan 0.000 0.495 215 P HA -0.175 nan 4.420 nan 0.000 0.218 215 P C 1.736 178.990 177.300 -0.076 0.000 1.149 215 P CA 1.334 64.359 63.100 -0.125 0.000 0.817 215 P CB -0.028 31.670 31.700 -0.003 0.000 0.785 216 W N 1.504 122.819 121.300 0.026 0.000 2.392 216 W HA -0.079 4.581 4.660 0.000 0.000 0.279 216 W C 1.795 178.323 176.519 0.015 0.000 1.225 216 W CA 0.272 57.630 57.345 0.021 0.000 1.233 216 W CB -1.692 27.783 29.460 0.026 0.000 1.122 216 W HN -0.069 nan 8.180 nan 0.000 0.561 217 I N 1.238 121.619 120.570 -0.315 0.000 2.850 217 I HA -0.178 3.992 4.170 0.001 0.000 0.266 217 I C 1.615 177.711 176.117 -0.034 0.000 1.257 217 I CA 1.209 62.386 61.300 -0.205 0.000 1.465 217 I CB -0.254 37.388 38.000 -0.597 0.000 1.091 217 I HN -0.034 nan 8.210 nan 0.000 0.467 218 L N 0.737 121.942 121.223 -0.031 0.000 2.599 218 L HA 0.072 4.412 4.340 0.001 0.000 0.230 218 L C 1.615 178.499 176.870 0.023 0.000 1.141 218 L CA 0.482 55.316 54.840 -0.011 0.000 0.877 218 L CB -0.200 41.850 42.059 -0.014 0.000 1.009 218 L HN 0.261 nan 8.230 nan 0.000 0.447 219 K N -0.707 119.743 120.400 0.083 0.000 2.402 219 K HA 0.273 4.593 4.320 0.001 0.000 0.204 219 K C 0.267 176.918 176.600 0.085 0.000 1.056 219 K CA -0.202 56.132 56.287 0.079 0.000 1.069 219 K CB 0.787 33.351 32.500 0.106 0.000 0.888 219 K HN 0.131 nan 8.250 nan 0.000 0.546 220 L N 3.163 124.454 121.223 0.112 0.000 2.464 220 L HA 0.174 4.514 4.340 0.001 0.000 0.264 220 L C -1.897 175.015 176.870 0.071 0.000 1.199 220 L CA -1.927 52.979 54.840 0.109 0.000 0.818 220 L CB -0.149 42.000 42.059 0.150 0.000 1.102 220 L HN -0.093 nan 8.230 nan 0.000 0.473 221 P HA 0.229 nan 4.420 nan 0.000 0.273 221 P C -1.106 176.289 177.300 0.159 0.000 1.428 221 P CA -0.199 62.985 63.100 0.139 0.000 0.995 221 P CB 0.493 32.282 31.700 0.149 0.000 1.286 222 L N 7.583 128.866 121.223 0.101 0.000 2.341 222 L HA 0.391 4.732 4.340 0.001 0.000 0.278 222 L C -1.112 175.881 176.870 0.205 0.000 1.005 222 L CA -2.223 52.678 54.840 0.101 0.000 0.818 222 L CB 1.770 43.836 42.059 0.011 0.000 1.259 222 L HN 0.086 nan 8.230 nan 0.000 0.418 223 P HA -0.202 nan 4.420 nan 0.000 0.215 223 P C 0.952 178.393 177.300 0.236 0.000 1.157 223 P CA 1.238 64.562 63.100 0.372 0.000 0.868 223 P CB 0.429 32.225 31.700 0.161 0.000 0.788 224 Q N 1.000 120.859 119.800 0.099 0.000 2.047 224 Q HA -0.197 4.143 4.340 0.001 0.000 0.211 224 Q C 2.467 178.465 176.000 -0.004 0.000 1.005 224 Q CA 2.903 58.728 55.803 0.037 0.000 0.866 224 Q CB -1.559 27.183 28.738 0.006 0.000 0.938 224 Q HN 0.408 nan 8.270 nan 0.000 0.414 225 S N -0.933 114.711 115.700 -0.093 0.000 2.465 225 S HA -0.171 4.300 4.470 0.001 0.000 0.241 225 S C 1.533 175.995 174.600 -0.230 0.000 1.000 225 S CA 1.064 59.148 58.200 -0.193 0.000 0.964 225 S CB -0.442 62.588 63.200 -0.284 0.000 0.763 225 S HN 0.369 nan 8.310 nan 0.000 0.512 226 Y N 1.736 122.036 120.300 -0.000 0.000 2.231 226 Y HA 0.245 4.796 4.550 0.001 0.000 0.294 226 Y C 2.795 178.693 175.900 -0.004 0.000 1.120 226 Y CA 0.434 58.534 58.100 -0.000 0.000 1.141 226 Y CB -0.349 38.113 38.460 0.002 0.000 1.022 226 Y HN 0.121 nan 8.280 nan 0.000 0.523 227 R N -1.028 119.561 120.500 0.149 0.000 2.152 227 R HA -0.180 4.161 4.340 0.001 0.000 0.232 227 R C 2.330 178.648 176.300 0.030 0.000 1.117 227 R CA 1.315 57.459 56.100 0.073 0.000 0.981 227 R CB -0.905 29.427 30.300 0.053 0.000 0.870 227 R HN 0.413 nan 8.270 nan 0.000 0.451 228 C N 0.413 119.718 119.300 0.008 0.000 2.486 228 C HA 0.030 4.490 4.460 0.001 0.000 0.279 228 C C 2.602 177.584 174.990 -0.014 0.000 1.302 228 C CA 0.414 59.418 59.018 -0.023 0.000 1.720 228 C CB -0.584 27.124 27.740 -0.053 0.000 2.030 228 C HN 0.403 nan 8.230 nan 0.000 0.490 229 R N 0.587 121.086 120.500 -0.002 0.000 2.091 229 R HA -0.132 4.208 4.340 0.001 0.000 0.238 229 R C 1.711 178.029 176.300 0.030 0.000 1.136 229 R CA 2.278 58.389 56.100 0.017 0.000 0.959 229 R CB -0.429 29.890 30.300 0.031 0.000 0.856 229 R HN 0.585 nan 8.270 nan 0.000 0.437 230 D N 0.219 120.643 120.400 0.039 0.000 2.081 230 D HA -0.134 4.507 4.640 0.001 0.000 0.194 230 D C 1.850 178.159 176.300 0.015 0.000 0.986 230 D CA 1.733 55.753 54.000 0.033 0.000 0.837 230 D CB -0.500 40.322 40.800 0.037 0.000 0.985 230 D HN 0.205 nan 8.370 nan 0.000 0.448 231 A N 0.692 123.513 122.820 0.002 0.000 1.884 231 A HA -0.307 4.013 4.320 0.001 0.000 0.219 231 A C 2.177 179.750 177.584 -0.017 0.000 1.197 231 A CA 2.403 54.429 52.037 -0.018 0.000 0.637 231 A CB -0.752 18.224 19.000 -0.039 0.000 0.827 231 A HN 0.183 nan 8.150 nan 0.000 0.450 232 R N -0.683 119.810 120.500 -0.011 0.000 2.096 232 R HA -0.074 4.266 4.340 0.001 0.000 0.235 232 R C 2.309 178.624 176.300 0.026 0.000 1.127 232 R CA 1.398 57.499 56.100 0.003 0.000 0.968 232 R CB -0.398 29.905 30.300 0.005 0.000 0.861 232 R HN 0.476 nan 8.270 nan 0.000 0.440 233 A N 0.642 123.480 122.820 0.030 0.000 1.930 233 A HA -0.201 4.119 4.320 0.001 0.000 0.217 233 A C 1.982 179.583 177.584 0.028 0.000 1.175 233 A CA 1.571 53.630 52.037 0.037 0.000 0.627 233 A CB -0.481 18.540 19.000 0.035 0.000 0.815 233 A HN 0.582 nan 8.150 nan 0.000 0.443 234 E N -0.578 119.634 120.200 0.018 0.000 2.072 234 E HA -0.185 4.165 4.350 0.001 0.000 0.191 234 E C 1.899 178.509 176.600 0.017 0.000 0.985 234 E CA 1.232 57.640 56.400 0.014 0.000 0.801 234 E CB -0.189 29.515 29.700 0.007 0.000 0.750 234 E HN 0.451 nan 8.360 nan 0.000 0.452 235 L N 1.449 122.686 121.223 0.022 0.000 1.994 235 L HA -0.231 4.109 4.340 0.001 0.000 0.208 235 L C 2.530 179.421 176.870 0.034 0.000 1.071 235 L CA 2.151 57.016 54.840 0.041 0.000 0.745 235 L CB -0.699 41.399 42.059 0.066 0.000 0.892 235 L HN 0.211 nan 8.230 nan 0.000 0.431 236 Q N -0.975 118.847 119.800 0.037 0.000 2.181 236 Q HA -0.258 4.082 4.340 0.001 0.000 0.205 236 Q C 1.676 177.690 176.000 0.023 0.000 0.980 236 Q CA 2.041 57.866 55.803 0.036 0.000 0.862 236 Q CB -0.060 28.713 28.738 0.058 0.000 0.905 236 Q HN 0.599 nan 8.270 nan 0.000 0.429 237 D N 0.256 120.668 120.400 0.020 0.000 2.084 237 D HA -0.147 4.493 4.640 0.001 0.000 0.194 237 D C 1.821 178.121 176.300 0.001 0.000 0.990 237 D CA 1.338 55.344 54.000 0.012 0.000 0.826 237 D CB -0.204 40.603 40.800 0.011 0.000 0.971 237 D HN 0.305 nan 8.370 nan 0.000 0.453 238 I N 0.456 121.024 120.570 -0.002 0.000 2.091 238 I HA -0.299 3.871 4.170 0.001 0.000 0.239 238 I C 2.397 178.495 176.117 -0.031 0.000 1.061 238 I CA 0.919 62.209 61.300 -0.017 0.000 1.317 238 I CB -0.416 37.572 38.000 -0.020 0.000 1.031 238 I HN 0.032 nan 8.210 nan 0.000 0.401 239 L N 0.679 121.882 121.223 -0.032 0.000 1.997 239 L HA -0.304 4.036 4.340 0.001 0.000 0.216 239 L C 2.905 179.758 176.870 -0.028 0.000 1.074 239 L CA 2.129 56.944 54.840 -0.042 0.000 0.763 239 L CB -0.983 41.060 42.059 -0.028 0.000 0.890 239 L HN 0.444 nan 8.230 nan 0.000 0.434 240 S N -0.196 115.497 115.700 -0.012 0.000 2.359 240 S HA -0.260 4.210 4.470 0.001 0.000 0.224 240 S C 1.714 176.306 174.600 -0.013 0.000 1.035 240 S CA 1.651 59.846 58.200 -0.008 0.000 1.018 240 S CB -0.550 62.652 63.200 0.003 0.000 0.876 240 S HN 0.518 nan 8.310 nan 0.000 0.448 241 E N 0.164 120.356 120.200 -0.014 0.000 2.478 241 E HA 0.089 4.440 4.350 0.001 0.000 0.198 241 E C 1.502 178.088 176.600 -0.023 0.000 1.046 241 E CA 0.365 56.755 56.400 -0.016 0.000 0.870 241 E CB -0.033 29.659 29.700 -0.013 0.000 0.818 241 E HN 0.485 nan 8.360 nan 0.000 0.527 242 I N 0.203 120.754 120.570 -0.031 0.000 2.927 242 I HA -0.055 4.116 4.170 0.001 0.000 0.268 242 I C 1.997 178.094 176.117 -0.034 0.000 1.153 242 I CA 0.660 61.937 61.300 -0.039 0.000 1.459 242 I CB -0.282 37.683 38.000 -0.059 0.000 1.149 242 I HN 0.128 nan 8.210 nan 0.000 0.443 243 I N 0.982 121.533 120.570 -0.031 0.000 2.179 243 I HA -0.281 3.889 4.170 0.001 0.000 0.242 243 I C 2.397 178.501 176.117 -0.021 0.000 1.088 243 I CA 1.578 62.862 61.300 -0.027 0.000 1.357 243 I CB -0.252 37.733 38.000 -0.025 0.000 1.051 243 I HN 0.057 nan 8.210 nan 0.000 0.409 244 I N 0.899 121.459 120.570 -0.018 0.000 2.493 244 I HA -0.227 3.943 4.170 0.001 0.000 0.254 244 I C 2.723 178.831 176.117 -0.014 0.000 1.160 244 I CA 1.072 62.363 61.300 -0.014 0.000 1.445 244 I CB -0.498 37.495 38.000 -0.011 0.000 1.086 244 I HN 0.177 nan 8.210 nan 0.000 0.433 245 A N 0.983 123.792 122.820 -0.017 0.000 1.929 245 A HA -0.109 4.211 4.320 0.001 0.000 0.216 245 A C 2.416 179.990 177.584 -0.017 0.000 1.176 245 A CA 1.008 53.035 52.037 -0.016 0.000 0.628 245 A CB -0.380 18.609 19.000 -0.019 0.000 0.816 245 A HN 0.284 nan 8.150 nan 0.000 0.444 246 R N -0.169 120.319 120.500 -0.020 0.000 2.092 246 R HA -0.082 4.259 4.340 0.001 0.000 0.231 246 R C 1.863 178.152 176.300 -0.017 0.000 1.119 246 R CA 1.403 57.491 56.100 -0.019 0.000 0.970 246 R CB -0.244 30.043 30.300 -0.023 0.000 0.864 246 R HN 0.650 nan 8.270 nan 0.000 0.440 247 E N 0.376 120.566 120.200 -0.016 0.000 2.268 247 E HA -0.148 4.203 4.350 0.001 0.000 0.195 247 E C 1.658 178.251 176.600 -0.012 0.000 0.995 247 E CA 0.892 57.283 56.400 -0.014 0.000 0.836 247 E CB 0.161 29.853 29.700 -0.014 0.000 0.763 247 E HN 0.287 nan 8.360 nan 0.000 0.491 248 K N 0.879 121.272 120.400 -0.011 0.000 2.044 248 K HA -0.089 4.231 4.320 0.001 0.000 0.204 248 K C 1.941 178.535 176.600 -0.010 0.000 1.045 248 K CA 1.057 57.338 56.287 -0.010 0.000 0.951 248 K CB 0.065 32.559 32.500 -0.009 0.000 0.738 248 K HN 0.138 nan 8.250 nan 0.000 0.443 249 E N 1.163 121.357 120.200 -0.011 0.000 2.526 249 E HA -0.152 4.198 4.350 0.001 0.000 0.198 249 E C 1.462 178.056 176.600 -0.010 0.000 1.091 249 E CA 0.544 56.938 56.400 -0.010 0.000 0.880 249 E CB 0.149 29.843 29.700 -0.011 0.000 0.873 249 E HN 0.308 nan 8.360 nan 0.000 0.527 250 E N 1.128 121.321 120.200 -0.011 0.000 2.076 250 E HA -0.034 4.317 4.350 0.001 0.000 0.190 250 E C 0.909 177.503 176.600 -0.010 0.000 0.979 250 E CA 0.647 57.040 56.400 -0.011 0.000 0.807 250 E CB 0.069 29.761 29.700 -0.013 0.000 0.761 250 E HN 0.376 nan 8.360 nan 0.000 0.454 257 T N -1.154 113.401 114.554 0.001 0.000 3.945 257 T HA 0.263 4.613 4.350 0.001 0.000 0.306 257 T C 0.018 174.725 174.700 0.010 0.000 1.475 257 T CA -0.417 61.688 62.100 0.009 0.000 1.177 257 T CB -0.904 67.975 68.868 0.019 0.000 1.272 257 T HN 0.392 nan 8.240 nan 0.000 0.930 258 S N 4.129 119.829 115.700 0.000 0.000 2.596 258 S HA 0.124 4.594 4.470 0.001 0.000 0.298 258 S C 0.733 175.336 174.600 0.005 0.000 1.255 258 S CA -0.470 57.727 58.200 -0.004 0.000 1.083 258 S CB -0.030 63.160 63.200 -0.017 0.000 0.837 258 S HN 0.895 nan 8.310 nan 0.000 0.499 259 D N 2.057 122.464 120.400 0.012 0.000 2.506 259 D HA 0.127 4.767 4.640 0.001 0.000 0.272 259 D C 1.312 177.618 176.300 0.010 0.000 1.214 259 D CA -0.956 53.061 54.000 0.028 0.000 1.067 259 D CB 0.024 40.859 40.800 0.058 0.000 1.117 259 D HN 0.282 nan 8.370 nan 0.000 0.578 260 L N -0.365 120.865 121.223 0.012 0.000 2.081 260 L HA -0.137 4.203 4.340 0.001 0.000 0.212 260 L C 1.903 178.771 176.870 -0.004 0.000 1.080 260 L CA 1.580 56.411 54.840 -0.015 0.000 0.754 260 L CB -1.104 40.936 42.059 -0.031 0.000 0.893 260 L HN 0.553 nan 8.230 nan 0.000 0.433 261 L N 0.391 121.627 121.223 0.022 0.000 1.961 261 L HA -0.083 4.257 4.340 0.001 0.000 0.210 261 L C 2.544 179.393 176.870 -0.034 0.000 1.072 261 L CA 2.406 57.241 54.840 -0.008 0.000 0.749 261 L CB -1.479 40.569 42.059 -0.019 0.000 0.889 261 L HN 0.266 nan 8.230 nan 0.000 0.432 262 A N -0.562 122.240 122.820 -0.030 0.000 2.032 262 A HA -0.114 4.207 4.320 0.001 0.000 0.221 262 A C 2.263 179.814 177.584 -0.055 0.000 1.165 262 A CA 1.646 53.658 52.037 -0.041 0.000 0.645 262 A CB -1.618 17.364 19.000 -0.030 0.000 0.807 262 A HN 0.640 nan 8.150 nan 0.000 0.453 263 G N -0.295 108.473 108.800 -0.053 0.000 2.404 263 G HA2 -0.097 3.864 3.960 0.001 0.000 0.215 263 G HA3 -0.097 3.864 3.960 0.001 0.000 0.215 263 G C 1.511 176.350 174.900 -0.102 0.000 1.174 263 G CA 0.947 46.008 45.100 -0.065 0.000 0.780 263 G HN 0.448 nan 8.290 nan 0.000 0.537 264 L N -0.037 121.122 121.223 -0.108 0.000 2.109 264 L HA 0.121 4.461 4.340 0.001 0.000 0.207 264 L C 2.694 179.430 176.870 -0.224 0.000 1.086 264 L CA 0.294 55.029 54.840 -0.174 0.000 0.760 264 L CB -0.296 41.691 42.059 -0.120 0.000 0.910 264 L HN 0.142 nan 8.230 nan 0.000 0.437 265 L N -0.448 120.687 121.223 -0.147 0.000 2.362 265 L HA -0.079 4.261 4.340 0.001 0.000 0.219 265 L C 2.313 179.095 176.870 -0.147 0.000 1.134 265 L CA 0.909 55.669 54.840 -0.132 0.000 0.807 265 L CB -0.659 41.350 42.059 -0.082 0.000 0.927 265 L HN 0.299 nan 8.230 nan 0.000 0.447 266 G N -0.604 108.101 108.800 -0.159 0.000 2.608 266 G HA2 0.194 4.154 3.960 0.001 0.000 0.210 266 G HA3 0.194 4.154 3.960 0.001 0.000 0.210 266 G C 0.841 175.622 174.900 -0.198 0.000 1.139 266 G CA 0.394 45.410 45.100 -0.140 0.000 0.812 266 G HN 0.338 nan 8.290 nan 0.000 0.529 267 A N -0.121 122.506 122.820 -0.321 0.000 2.547 267 A HA 0.474 4.794 4.320 0.001 0.000 0.233 267 A C -0.291 176.980 177.584 -0.523 0.000 1.067 267 A CA 0.365 52.107 52.037 -0.492 0.000 0.763 267 A CB 0.441 18.807 19.000 -1.057 0.000 1.007 267 A HN 0.490 nan 8.150 nan 0.000 0.506 268 V N 1.994 121.723 119.914 -0.308 0.000 2.709 268 V HA 0.336 4.456 4.120 0.001 0.000 0.308 268 V C -0.504 175.642 176.094 0.087 0.000 1.062 268 V CA -0.564 61.653 62.300 -0.138 0.000 0.901 268 V CB 1.371 33.189 31.823 -0.008 0.000 1.003 268 V HN 0.849 nan 8.190 nan 0.000 0.425 269 Y N 2.199 122.617 120.300 0.196 0.000 2.223 269 Y HA 0.184 4.735 4.550 0.001 0.000 0.352 269 Y C 1.777 177.765 175.900 0.146 0.000 1.293 269 Y CA 0.063 58.320 58.100 0.261 0.000 1.601 269 Y CB 0.474 39.033 38.460 0.165 0.000 1.407 269 Y HN 0.482 nan 8.280 nan 0.000 0.639 270 R N 0.333 121.013 120.500 0.300 0.000 2.307 270 R HA -0.085 4.255 4.340 0.001 0.000 0.199 270 R C 0.299 176.672 176.300 0.123 0.000 1.000 270 R CA 1.139 57.333 56.100 0.157 0.000 1.023 270 R CB -0.161 30.203 30.300 0.108 0.000 0.908 270 R HN 0.682 nan 8.270 nan 0.000 0.473 271 D N -1.751 118.735 120.400 0.143 0.000 2.398 271 D HA 0.096 4.736 4.640 0.001 0.000 0.210 271 D C 1.112 177.465 176.300 0.087 0.000 1.094 271 D CA 0.623 54.674 54.000 0.086 0.000 0.839 271 D CB 0.685 41.513 40.800 0.047 0.000 0.963 271 D HN 0.167 nan 8.370 nan 0.000 0.506 272 G N 0.539 109.411 108.800 0.120 0.000 2.232 272 G HA2 -0.265 3.695 3.960 0.001 0.000 0.226 272 G HA3 -0.265 3.695 3.960 0.001 0.000 0.226 272 G C 0.574 175.536 174.900 0.103 0.000 0.996 272 G CA 0.318 45.473 45.100 0.092 0.000 0.626 272 G HN 0.727 nan 8.290 nan 0.000 0.509 273 T N -0.818 113.826 114.554 0.150 0.000 2.849 273 T HA 0.729 5.079 4.350 0.001 0.000 0.284 273 T C 0.512 175.362 174.700 0.250 0.000 1.004 273 T CA -0.203 61.994 62.100 0.161 0.000 1.021 273 T CB 2.009 70.949 68.868 0.120 0.000 1.013 273 T HN 0.513 nan 8.240 nan 0.000 0.527 274 R N 0.068 120.669 120.500 0.167 0.000 2.797 274 R HA 0.523 4.864 4.340 0.001 0.000 0.251 274 R C 0.197 176.601 176.300 0.173 0.000 1.107 274 R CA -1.040 55.101 56.100 0.069 0.000 1.084 274 R CB 1.147 31.435 30.300 -0.020 0.000 1.205 274 R HN 0.592 nan 8.270 nan 0.000 0.515 275 M N 1.175 120.766 119.600 -0.015 0.000 2.242 275 M HA 0.080 4.560 4.480 0.001 0.000 0.344 275 M C 0.452 176.792 176.300 0.066 0.000 1.140 275 M CA 0.156 55.496 55.300 0.067 0.000 1.160 275 M CB 1.285 33.810 32.600 -0.124 0.000 1.491 275 M HN 0.675 nan 8.290 nan 0.000 0.459 276 S N 2.155 117.922 115.700 0.111 0.000 2.614 276 S HA 0.111 4.581 4.470 0.001 0.000 0.265 276 S C 0.612 175.255 174.600 0.072 0.000 1.303 276 S CA -0.627 57.627 58.200 0.091 0.000 1.000 276 S CB 0.922 64.198 63.200 0.126 0.000 0.935 276 S HN 0.787 nan 8.310 nan 0.000 0.551 277 Q N -0.120 119.719 119.800 0.066 0.000 2.291 277 Q HA -0.167 4.173 4.340 0.001 0.000 0.206 277 Q C 1.922 177.970 176.000 0.079 0.000 0.976 277 Q CA 1.381 57.214 55.803 0.050 0.000 0.875 277 Q CB -0.342 28.420 28.738 0.041 0.000 0.927 277 Q HN 0.885 nan 8.270 nan 0.000 0.450 278 H N 1.293 120.377 119.070 0.024 0.000 2.326 278 H HA -0.103 4.454 4.556 0.001 0.000 0.301 278 H C 1.386 176.740 175.328 0.044 0.000 1.081 278 H CA 1.558 57.625 56.048 0.032 0.000 1.334 278 H CB 0.439 30.219 29.762 0.030 0.000 1.385 278 H HN 0.314 nan 8.280 nan 0.000 0.504 279 E N 0.064 120.267 120.200 0.005 0.000 2.047 279 E HA -0.113 4.237 4.350 0.001 0.000 0.191 279 E C 2.563 179.135 176.600 -0.047 0.000 0.987 279 E CA 1.192 57.572 56.400 -0.033 0.000 0.799 279 E CB 0.121 29.882 29.700 0.101 0.000 0.752 279 E HN 0.202 nan 8.360 nan 0.000 0.449 280 V N 1.119 121.019 119.914 -0.024 0.000 2.287 280 V HA -0.340 3.780 4.120 0.001 0.000 0.248 280 V C 2.496 178.580 176.094 -0.017 0.000 1.053 280 V CA 1.795 64.076 62.300 -0.032 0.000 1.027 280 V CB -0.495 31.307 31.823 -0.035 0.000 0.646 280 V HN 0.566 nan 8.190 nan 0.000 0.447 281 C N 0.836 120.124 119.300 -0.020 0.000 2.422 281 C HA -0.046 4.414 4.460 0.001 0.000 0.279 281 C C 2.878 177.873 174.990 0.009 0.000 1.305 281 C CA 0.791 59.811 59.018 0.004 0.000 1.757 281 C CB -1.616 26.126 27.740 0.005 0.000 1.962 281 C HN 0.635 nan 8.230 nan 0.000 0.499 282 G N 0.431 109.195 108.800 -0.059 0.000 2.414 282 G HA2 -0.108 3.853 3.960 0.001 0.000 0.215 282 G HA3 -0.108 3.853 3.960 0.001 0.000 0.215 282 G C 1.540 176.479 174.900 0.066 0.000 1.188 282 G CA 1.095 46.187 45.100 -0.013 0.000 0.783 282 G HN 0.388 nan 8.290 nan 0.000 0.537 283 M N 0.651 120.254 119.600 0.006 0.000 2.065 283 M HA 0.040 4.520 4.480 0.001 0.000 0.259 283 M C 2.642 178.985 176.300 0.072 0.000 1.069 283 M CA 0.848 56.151 55.300 0.005 0.000 1.110 283 M CB -1.363 31.230 32.600 -0.012 0.000 1.328 283 M HN 0.212 nan 8.290 nan 0.000 0.405 284 I N -0.260 120.361 120.570 0.085 0.000 2.087 284 I HA -0.334 3.836 4.170 0.001 0.000 0.240 284 I C 2.402 178.657 176.117 0.230 0.000 1.054 284 I CA 1.449 62.834 61.300 0.140 0.000 1.311 284 I CB -0.608 37.481 38.000 0.150 0.000 1.024 284 I HN 0.054 nan 8.210 nan 0.000 0.402 285 V N 1.043 121.113 119.914 0.259 0.000 2.324 285 V HA -0.343 3.777 4.120 0.001 0.000 0.250 285 V C 2.670 178.970 176.094 0.345 0.000 1.060 285 V CA 2.065 64.558 62.300 0.322 0.000 1.042 285 V CB -1.162 30.786 31.823 0.208 0.000 0.650 285 V HN 0.549 nan 8.190 nan 0.000 0.450 286 A N -0.082 122.945 122.820 0.345 0.000 1.902 286 A HA -0.090 4.231 4.320 0.001 0.000 0.217 286 A C 2.447 180.235 177.584 0.340 0.000 1.181 286 A CA 2.076 54.380 52.037 0.446 0.000 0.623 286 A CB -0.782 18.367 19.000 0.249 0.000 0.818 286 A HN 0.574 nan 8.150 nan 0.000 0.443 287 A N -0.735 122.213 122.820 0.212 0.000 1.877 287 A HA -0.136 4.185 4.320 0.001 0.000 0.216 287 A C 2.198 179.889 177.584 0.178 0.000 1.186 287 A CA 2.066 54.188 52.037 0.142 0.000 0.620 287 A CB -0.499 18.523 19.000 0.036 0.000 0.822 287 A HN 0.422 nan 8.150 nan 0.000 0.443 288 M N -1.705 118.031 119.600 0.227 0.000 2.117 288 M HA -0.048 4.432 4.480 0.001 0.000 0.262 288 M C 2.158 178.629 176.300 0.285 0.000 1.065 288 M CA 1.289 56.739 55.300 0.250 0.000 1.114 288 M CB -1.449 31.418 32.600 0.446 0.000 1.361 288 M HN 0.584 nan 8.290 nan 0.000 0.408 289 F N 1.217 121.301 119.950 0.222 0.000 2.084 289 F HA -0.099 4.428 4.527 0.001 0.000 0.296 289 F C 2.367 178.311 175.800 0.240 0.000 1.111 289 F CA 1.741 59.876 58.000 0.225 0.000 1.224 289 F CB -0.417 38.693 39.000 0.184 0.000 0.991 289 F HN 0.115 nan 8.300 nan 0.000 0.471 290 A N 0.570 123.637 122.820 0.412 0.000 1.873 290 A HA -0.177 4.143 4.320 0.001 0.000 0.218 290 A C 2.416 180.067 177.584 0.110 0.000 1.193 290 A CA 2.108 54.312 52.037 0.278 0.000 0.629 290 A CB -1.903 17.282 19.000 0.308 0.000 0.826 290 A HN 0.556 nan 8.150 nan 0.000 0.447 291 G N -1.571 107.309 108.800 0.133 0.000 2.511 291 G HA2 -0.032 3.929 3.960 0.001 0.000 0.217 291 G HA3 -0.032 3.929 3.960 0.001 0.000 0.217 291 G C 1.506 176.418 174.900 0.019 0.000 1.133 291 G CA 1.175 46.353 45.100 0.129 0.000 0.792 291 G HN 0.567 nan 8.290 nan 0.000 0.539 292 Q N 0.809 120.564 119.800 -0.076 0.000 1.967 292 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 292 Q C 2.245 178.056 176.000 -0.314 0.000 0.985 292 Q CA 1.752 57.412 55.803 -0.238 0.000 0.839 292 Q CB -0.632 27.873 28.738 -0.389 0.000 0.906 292 Q HN 0.611 nan 8.270 nan 0.000 0.423 293 H N -0.608 118.330 119.070 -0.221 0.000 2.403 293 H HA 0.006 4.562 4.556 0.001 0.000 0.298 293 H C 2.131 177.392 175.328 -0.112 0.000 1.059 293 H CA 1.843 57.775 56.048 -0.193 0.000 1.363 293 H CB -0.357 29.234 29.762 -0.284 0.000 1.410 293 H HN 0.573 nan 8.280 nan 0.000 0.528 294 T N -0.526 114.048 114.554 0.034 0.000 2.674 294 T HA -0.124 4.226 4.350 0.001 0.000 0.265 294 T C 2.373 177.105 174.700 0.054 0.000 1.039 294 T CA 1.521 63.656 62.100 0.058 0.000 1.150 294 T CB -0.637 68.282 68.868 0.086 0.000 0.864 294 T HN 0.134 nan 8.240 nan 0.000 0.427 295 S N 1.153 116.874 115.700 0.035 0.000 2.370 295 S HA -0.135 4.335 4.470 0.001 0.000 0.226 295 S C 2.354 176.940 174.600 -0.024 0.000 1.033 295 S CA 1.703 59.912 58.200 0.015 0.000 1.011 295 S CB -1.056 62.134 63.200 -0.018 0.000 0.852 295 S HN 0.793 nan 8.310 nan 0.000 0.457 296 T N 1.726 116.242 114.554 -0.064 0.000 2.746 296 T HA 0.009 4.359 4.350 0.001 0.000 0.267 296 T C 1.681 176.329 174.700 -0.087 0.000 1.039 296 T CA 1.070 63.110 62.100 -0.099 0.000 1.142 296 T CB -0.450 68.333 68.868 -0.141 0.000 0.866 296 T HN 0.347 nan 8.240 nan 0.000 0.444 297 I N 0.924 121.462 120.570 -0.054 0.000 2.252 297 I HA -0.105 4.066 4.170 0.001 0.000 0.245 297 I C 2.728 178.879 176.117 0.057 0.000 1.102 297 I CA 1.404 62.661 61.300 -0.071 0.000 1.385 297 I CB -0.508 37.490 38.000 -0.004 0.000 1.064 297 I HN 0.281 nan 8.210 nan 0.000 0.414 298 T N -0.186 114.445 114.554 0.130 0.000 2.915 298 T HA -0.116 4.235 4.350 0.001 0.000 0.269 298 T C 1.837 176.625 174.700 0.147 0.000 1.071 298 T CA 1.685 63.906 62.100 0.201 0.000 1.132 298 T CB -0.217 68.747 68.868 0.159 0.000 0.878 298 T HN 0.373 nan 8.240 nan 0.000 0.479 299 T N 1.554 116.139 114.554 0.052 0.000 2.814 299 T HA -0.052 4.298 4.350 0.001 0.000 0.254 299 T C 2.370 177.053 174.700 -0.029 0.000 1.037 299 T CA 1.282 63.386 62.100 0.007 0.000 1.143 299 T CB -0.653 68.189 68.868 -0.043 0.000 0.866 299 T HN 0.328 nan 8.240 nan 0.000 0.431 300 T N 0.895 115.392 114.554 -0.096 0.000 2.665 300 T HA -0.163 4.188 4.350 0.001 0.000 0.268 300 T C 1.572 176.169 174.700 -0.170 0.000 1.035 300 T CA 1.370 63.352 62.100 -0.197 0.000 1.151 300 T CB -0.521 68.166 68.868 -0.301 0.000 0.862 300 T HN 0.484 nan 8.240 nan 0.000 0.438 301 W N 1.359 122.596 121.300 -0.106 0.000 2.322 301 W HA -0.208 4.452 4.660 0.000 0.000 0.326 301 W C 3.053 179.522 176.519 -0.083 0.000 1.224 301 W CA 0.999 58.286 57.345 -0.096 0.000 1.257 301 W CB -0.659 28.829 29.460 0.047 0.000 1.174 301 W HN 0.124 nan 8.180 nan 0.000 0.460 302 S N 0.861 116.714 115.700 0.255 0.000 2.401 302 S HA -0.320 4.151 4.470 0.001 0.000 0.236 302 S C 1.727 176.266 174.600 -0.101 0.000 1.058 302 S CA 1.971 60.176 58.200 0.009 0.000 1.151 302 S CB -1.137 62.101 63.200 0.063 0.000 1.049 302 S HN 0.209 nan 8.310 nan 0.000 0.432 303 L N 0.900 122.068 121.223 -0.091 0.000 2.021 303 L HA -0.208 4.133 4.340 0.001 0.000 0.215 303 L C 2.358 179.108 176.870 -0.200 0.000 1.074 303 L CA 1.360 56.099 54.840 -0.168 0.000 0.760 303 L CB -0.752 41.121 42.059 -0.310 0.000 0.889 303 L HN 0.327 nan 8.230 nan 0.000 0.433 304 L N -1.440 119.646 121.223 -0.229 0.000 2.083 304 L HA -0.235 4.105 4.340 0.001 0.000 0.209 304 L C 2.706 179.384 176.870 -0.320 0.000 1.083 304 L CA 1.044 55.723 54.840 -0.268 0.000 0.752 304 L CB -0.812 41.079 42.059 -0.281 0.000 0.899 304 L HN 0.396 nan 8.230 nan 0.000 0.433 305 H N -0.178 118.684 119.070 -0.347 0.000 2.317 305 H HA -0.044 4.512 4.556 0.001 0.000 0.304 305 H C 2.448 177.601 175.328 -0.291 0.000 1.067 305 H CA 1.187 56.912 56.048 -0.538 0.000 1.352 305 H CB -0.237 28.540 29.762 -1.642 0.000 1.398 305 H HN 0.270 nan 8.280 nan 0.000 0.510 306 L N 1.119 122.259 121.223 -0.139 0.000 2.129 306 L HA -0.213 4.128 4.340 0.001 0.000 0.212 306 L C 2.679 179.636 176.870 0.144 0.000 1.087 306 L CA 1.430 56.336 54.840 0.110 0.000 0.757 306 L CB -0.398 41.752 42.059 0.151 0.000 0.896 306 L HN 0.338 nan 8.230 nan 0.000 0.434 307 M N -2.273 117.373 119.600 0.077 0.000 2.556 307 M HA 0.140 4.620 4.480 0.001 0.000 0.245 307 M C 0.351 176.695 176.300 0.073 0.000 1.128 307 M CA 0.437 55.801 55.300 0.107 0.000 1.069 307 M CB -0.155 32.512 32.600 0.112 0.000 1.469 307 M HN -0.092 nan 8.290 nan 0.000 0.494 308 D N 2.735 123.166 120.400 0.053 0.000 2.383 308 D HA 0.151 4.791 4.640 0.001 0.000 0.252 308 D C -1.782 174.576 176.300 0.096 0.000 1.166 308 D CA -1.784 52.252 54.000 0.060 0.000 0.879 308 D CB 1.539 42.373 40.800 0.056 0.000 1.164 308 D HN -0.006 nan 8.370 nan 0.000 0.462 309 P HA -0.116 nan 4.420 nan 0.000 0.218 309 P C 0.788 178.137 177.300 0.080 0.000 1.146 309 P CA 1.117 64.259 63.100 0.070 0.000 0.813 309 P CB 0.173 31.904 31.700 0.051 0.000 0.778 310 R N -1.199 119.361 120.500 0.100 0.000 2.339 310 R HA 0.060 4.401 4.340 0.001 0.000 0.199 310 R C 0.620 177.001 176.300 0.135 0.000 1.018 310 R CA 0.467 56.632 56.100 0.109 0.000 1.036 310 R CB -0.437 29.940 30.300 0.128 0.000 0.899 310 R HN 0.226 nan 8.270 nan 0.000 0.473 311 N N -0.112 118.687 118.700 0.166 0.000 2.170 311 N HA 0.061 4.802 4.740 0.001 0.000 0.222 311 N C 0.513 176.111 175.510 0.147 0.000 1.218 311 N CA -0.010 53.178 53.050 0.230 0.000 0.889 311 N CB 0.551 39.319 38.487 0.468 0.000 1.083 311 N HN 0.052 nan 8.380 nan 0.000 0.520 312 K N 1.052 121.508 120.400 0.093 0.000 2.189 312 K HA -0.197 4.123 4.320 0.001 0.000 0.207 312 K C 1.473 178.105 176.600 0.054 0.000 1.046 312 K CA 1.422 57.755 56.287 0.076 0.000 0.928 312 K CB 0.125 32.650 32.500 0.043 0.000 0.720 312 K HN 0.151 nan 8.250 nan 0.000 0.458 313 R N -0.158 120.320 120.500 -0.037 0.000 2.070 313 R HA -0.093 4.248 4.340 0.001 0.000 0.232 313 R C 2.296 178.613 176.300 0.029 0.000 1.138 313 R CA 1.544 57.591 56.100 -0.088 0.000 0.936 313 R CB -0.745 29.403 30.300 -0.253 0.000 0.839 313 R HN 0.334 nan 8.270 nan 0.000 0.429 314 H N 0.167 119.391 119.070 0.257 0.000 2.387 314 H HA -0.066 4.490 4.556 0.001 0.000 0.299 314 H C 1.976 177.583 175.328 0.466 0.000 1.090 314 H CA 1.153 57.459 56.048 0.430 0.000 1.332 314 H CB -0.446 29.630 29.762 0.524 0.000 1.386 314 H HN 0.066 nan 8.280 nan 0.000 0.516 315 L N 1.120 122.620 121.223 0.462 0.000 2.017 315 L HA -0.081 4.259 4.340 0.001 0.000 0.208 315 L C 2.541 179.645 176.870 0.391 0.000 1.073 315 L CA 1.887 56.977 54.840 0.416 0.000 0.745 315 L CB -1.085 41.159 42.059 0.309 0.000 0.894 315 L HN 0.196 nan 8.230 nan 0.000 0.432 316 A N -0.574 122.390 122.820 0.239 0.000 1.865 316 A HA -0.297 4.023 4.320 0.001 0.000 0.217 316 A C 2.468 180.156 177.584 0.174 0.000 1.191 316 A CA 2.139 54.272 52.037 0.159 0.000 0.623 316 A CB -0.714 18.327 19.000 0.069 0.000 0.826 316 A HN 0.502 nan 8.150 nan 0.000 0.444 317 K N -0.911 119.559 120.400 0.117 0.000 2.044 317 K HA -0.193 4.127 4.320 0.001 0.000 0.210 317 K C 1.926 178.581 176.600 0.092 0.000 1.049 317 K CA 1.705 57.967 56.287 -0.040 0.000 0.927 317 K CB -0.326 31.947 32.500 -0.378 0.000 0.713 317 K HN 0.317 nan 8.250 nan 0.000 0.443 318 L N 1.142 122.606 121.223 0.401 0.000 1.989 318 L HA -0.194 4.146 4.340 0.001 0.000 0.211 318 L C 1.893 178.938 176.870 0.292 0.000 1.071 318 L CA 2.049 57.194 54.840 0.508 0.000 0.749 318 L CB -0.947 41.423 42.059 0.518 0.000 0.890 318 L HN 0.296 nan 8.230 nan 0.000 0.431 319 H N -0.780 118.419 119.070 0.215 0.000 2.390 319 H HA -0.202 4.355 4.556 0.001 0.000 0.298 319 H C 2.314 177.719 175.328 0.127 0.000 1.106 319 H CA 2.126 58.270 56.048 0.161 0.000 1.297 319 H CB -0.007 29.832 29.762 0.128 0.000 1.375 319 H HN 0.510 nan 8.280 nan 0.000 0.509 320 Q N -0.025 119.901 119.800 0.210 0.000 2.030 320 Q HA -0.239 4.102 4.340 0.001 0.000 0.204 320 Q C 2.258 178.316 176.000 0.097 0.000 0.986 320 Q CA 1.717 57.587 55.803 0.111 0.000 0.843 320 Q CB -0.106 28.662 28.738 0.050 0.000 0.904 320 Q HN 0.605 nan 8.270 nan 0.000 0.420 321 E N 0.599 120.881 120.200 0.136 0.000 2.267 321 E HA -0.192 4.159 4.350 0.001 0.000 0.197 321 E C 1.701 178.454 176.600 0.256 0.000 0.998 321 E CA 1.237 57.739 56.400 0.170 0.000 0.830 321 E CB -0.016 29.838 29.700 0.258 0.000 0.751 321 E HN 0.595 nan 8.360 nan 0.000 0.491 322 I N -3.721 117.003 120.570 0.257 0.000 4.187 322 I HA 0.173 4.344 4.170 0.001 0.000 0.326 322 I C 0.851 177.129 176.117 0.268 0.000 1.302 322 I CA -0.106 61.429 61.300 0.392 0.000 1.196 322 I CB 0.205 38.338 38.000 0.223 0.000 1.095 322 I HN -0.224 nan 8.210 nan 0.000 0.411 323 D N 2.102 122.596 120.400 0.156 0.000 2.263 323 D HA -0.185 4.455 4.640 0.001 0.000 0.208 323 D C 1.823 178.152 176.300 0.049 0.000 0.971 323 D CA 1.213 55.283 54.000 0.117 0.000 0.867 323 D CB 0.010 40.878 40.800 0.113 0.000 0.929 323 D HN 0.451 nan 8.370 nan 0.000 0.492 324 E N -0.855 119.317 120.200 -0.046 0.000 2.502 324 E HA 0.048 4.399 4.350 0.001 0.000 0.194 324 E C -0.430 176.001 176.600 -0.282 0.000 1.062 324 E CA -0.084 56.201 56.400 -0.191 0.000 0.867 324 E CB -0.149 29.368 29.700 -0.306 0.000 0.888 324 E HN 0.108 nan 8.360 nan 0.000 0.510 325 F N 1.398 121.368 119.950 0.033 0.000 2.425 325 F HA 0.412 4.939 4.527 0.001 0.000 0.331 325 F C -1.460 174.359 175.800 0.033 0.000 1.085 325 F CA -2.387 55.631 58.000 0.031 0.000 1.028 325 F CB 0.986 40.004 39.000 0.030 0.000 1.177 325 F HN -0.038 nan 8.300 nan 0.000 0.487 326 P HA 0.181 nan 4.420 nan 0.000 0.275 326 P C 0.008 177.390 177.300 0.136 0.000 1.266 326 P CA -0.220 62.970 63.100 0.150 0.000 0.793 326 P CB 0.739 32.514 31.700 0.125 0.000 1.074 327 A N -0.006 122.872 122.820 0.097 0.000 1.851 327 A HA -0.186 4.135 4.320 0.001 0.000 0.216 327 A C 1.436 179.064 177.584 0.074 0.000 1.195 327 A CA 1.354 53.440 52.037 0.081 0.000 0.622 327 A CB -1.205 17.835 19.000 0.066 0.000 0.831 327 A HN 0.701 nan 8.150 nan 0.000 0.444 328 Q N 0.479 120.323 119.800 0.073 0.000 2.337 328 Q HA 0.495 4.835 4.340 0.001 0.000 0.255 328 Q C -1.063 174.976 176.000 0.065 0.000 0.997 328 Q CA -0.300 55.542 55.803 0.066 0.000 0.925 328 Q CB 0.271 29.048 28.738 0.065 0.000 1.212 328 Q HN 0.544 nan 8.270 nan 0.000 0.436 329 L N 3.390 124.635 121.223 0.036 0.000 2.421 329 L HA 0.380 4.721 4.340 0.001 0.000 0.263 329 L C 0.255 177.142 176.870 0.029 0.000 1.122 329 L CA -0.723 54.116 54.840 -0.003 0.000 0.804 329 L CB 0.783 42.779 42.059 -0.106 0.000 1.150 329 L HN 0.754 nan 8.230 nan 0.000 0.457 330 N N -0.599 118.119 118.700 0.031 0.000 2.545 330 N HA 0.100 4.840 4.740 0.001 0.000 0.289 330 N C 0.481 176.042 175.510 0.085 0.000 1.279 330 N CA -0.728 52.372 53.050 0.084 0.000 0.824 330 N CB 0.387 38.938 38.487 0.106 0.000 1.395 330 N HN 0.546 nan 8.380 nan 0.000 0.526 331 Y N 0.513 120.826 120.300 0.022 0.000 2.014 331 Y HA -0.278 4.272 4.550 0.001 0.000 0.272 331 Y C 1.218 177.105 175.900 -0.021 0.000 1.164 331 Y CA 2.492 60.597 58.100 0.008 0.000 1.114 331 Y CB -0.568 37.900 38.460 0.013 0.000 0.961 331 Y HN 0.602 nan 8.280 nan 0.000 0.489 332 D N -0.065 120.309 120.400 -0.042 0.000 2.158 332 D HA -0.214 4.427 4.640 0.001 0.000 0.197 332 D C 1.794 178.025 176.300 -0.115 0.000 0.995 332 D CA 1.675 55.594 54.000 -0.135 0.000 0.846 332 D CB -0.656 40.174 40.800 0.051 0.000 0.941 332 D HN 0.635 nan 8.370 nan 0.000 0.456 333 N N -0.160 118.511 118.700 -0.048 0.000 2.061 333 N HA -0.139 4.601 4.740 0.001 0.000 0.193 333 N C 1.727 177.094 175.510 -0.238 0.000 1.030 333 N CA 1.075 54.094 53.050 -0.051 0.000 0.856 333 N CB 0.143 38.528 38.487 -0.170 0.000 1.023 333 N HN 0.063 nan 8.380 nan 0.000 0.424 334 V N 0.599 120.344 119.914 -0.282 0.000 2.992 334 V HA -0.001 4.119 4.120 0.001 0.000 0.250 334 V C 2.025 177.974 176.094 -0.242 0.000 1.090 334 V CA 0.802 62.941 62.300 -0.268 0.000 1.101 334 V CB -0.096 31.591 31.823 -0.227 0.000 0.743 334 V HN 0.285 nan 8.190 nan 0.000 0.468 335 M N 0.338 119.726 119.600 -0.353 0.000 2.134 335 M HA 0.006 4.487 4.480 0.001 0.000 0.262 335 M C 1.799 177.958 176.300 -0.235 0.000 1.076 335 M CA 1.646 56.706 55.300 -0.399 0.000 1.143 335 M CB -0.837 31.294 32.600 -0.781 0.000 1.346 335 M HN 0.399 nan 8.290 nan 0.000 0.421 336 E N -0.668 119.424 120.200 -0.180 0.000 2.526 336 E HA 0.082 4.433 4.350 0.001 0.000 0.208 336 E C 0.515 177.110 176.600 -0.010 0.000 0.997 336 E CA 0.039 56.388 56.400 -0.084 0.000 0.961 336 E CB 0.529 30.189 29.700 -0.067 0.000 1.030 336 E HN 0.536 nan 8.360 nan 0.000 0.483 337 E N 0.533 120.750 120.200 0.030 0.000 2.676 337 E HA 0.205 4.555 4.350 0.001 0.000 0.222 337 E C -0.064 176.662 176.600 0.211 0.000 0.968 337 E CA 0.009 56.502 56.400 0.155 0.000 1.090 337 E CB 0.669 30.553 29.700 0.306 0.000 1.066 337 E HN 0.137 nan 8.360 nan 0.000 0.496 338 M N 1.286 120.939 119.600 0.088 0.000 2.746 338 M HA 0.255 4.735 4.480 0.001 0.000 0.209 338 M C -2.294 174.040 176.300 0.057 0.000 1.077 338 M CA -1.484 53.873 55.300 0.094 0.000 0.695 338 M CB 0.979 33.576 32.600 -0.005 0.000 1.416 338 M HN -0.160 nan 8.290 nan 0.000 0.459 339 P HA -0.105 nan 4.420 nan 0.000 0.215 339 P C 1.403 178.761 177.300 0.097 0.000 1.157 339 P CA 1.179 64.317 63.100 0.063 0.000 0.856 339 P CB 0.087 31.828 31.700 0.070 0.000 0.786 340 F N 1.579 121.534 119.950 0.010 0.000 2.146 340 F HA -0.007 4.521 4.527 0.001 0.000 0.298 340 F C 2.344 178.156 175.800 0.020 0.000 1.096 340 F CA 1.199 59.203 58.000 0.006 0.000 1.275 340 F CB -1.122 37.897 39.000 0.032 0.000 1.008 340 F HN -0.087 nan 8.300 nan 0.000 0.480 341 A N 0.222 123.021 122.820 -0.036 0.000 1.859 341 A HA -0.332 3.989 4.320 0.001 0.000 0.217 341 A C 2.266 179.767 177.584 -0.138 0.000 1.198 341 A CA 2.131 54.102 52.037 -0.110 0.000 0.629 341 A CB -1.338 17.659 19.000 -0.005 0.000 0.830 341 A HN 0.569 nan 8.150 nan 0.000 0.446 342 E N -0.497 119.654 120.200 -0.082 0.000 2.160 342 E HA -0.276 4.075 4.350 0.001 0.000 0.195 342 E C 2.172 178.710 176.600 -0.104 0.000 0.991 342 E CA 1.451 57.810 56.400 -0.068 0.000 0.810 342 E CB -0.168 29.498 29.700 -0.057 0.000 0.742 342 E HN 0.788 nan 8.360 nan 0.000 0.466 343 Q N -0.420 119.276 119.800 -0.173 0.000 2.084 343 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 343 Q C 2.473 178.290 176.000 -0.305 0.000 0.978 343 Q CA 1.612 57.275 55.803 -0.233 0.000 0.844 343 Q CB -0.109 28.498 28.738 -0.219 0.000 0.898 343 Q HN 0.446 nan 8.270 nan 0.000 0.426 344 C N 0.306 119.386 119.300 -0.367 0.000 2.453 344 C HA -0.089 4.372 4.460 0.001 0.000 0.277 344 C C 2.907 177.948 174.990 0.086 0.000 1.262 344 C CA 0.702 59.634 59.018 -0.144 0.000 1.718 344 C CB -1.191 26.519 27.740 -0.049 0.000 2.031 344 C HN 0.625 nan 8.230 nan 0.000 0.480 345 A N 0.268 123.110 122.820 0.037 0.000 1.908 345 A HA -0.233 4.087 4.320 0.001 0.000 0.218 345 A C 2.258 179.920 177.584 0.129 0.000 1.181 345 A CA 1.790 53.889 52.037 0.104 0.000 0.627 345 A CB -0.601 18.450 19.000 0.084 0.000 0.818 345 A HN 0.652 nan 8.150 nan 0.000 0.445 346 R N -0.958 119.581 120.500 0.065 0.000 2.236 346 R HA -0.067 4.274 4.340 0.001 0.000 0.208 346 R C 1.930 178.219 176.300 -0.018 0.000 1.036 346 R CA 1.232 57.376 56.100 0.073 0.000 1.001 346 R CB -0.000 30.276 30.300 -0.040 0.000 0.896 346 R HN 0.569 nan 8.270 nan 0.000 0.464 347 E N -0.376 119.771 120.200 -0.088 0.000 2.122 347 E HA -0.002 4.348 4.350 0.001 0.000 0.190 347 E C 1.440 178.028 176.600 -0.020 0.000 0.977 347 E CA 1.392 57.671 56.400 -0.203 0.000 0.820 347 E CB 0.088 29.440 29.700 -0.580 0.000 0.770 347 E HN 0.079 nan 8.360 nan 0.000 0.462 348 S N 0.150 115.991 115.700 0.235 0.000 2.383 348 S HA -0.049 4.422 4.470 0.001 0.000 0.227 348 S C 1.882 176.468 174.600 -0.024 0.000 1.026 348 S CA 1.116 59.395 58.200 0.131 0.000 0.981 348 S CB -0.236 63.062 63.200 0.164 0.000 0.818 348 S HN 0.305 nan 8.310 nan 0.000 0.472 349 I N 0.956 121.571 120.570 0.074 0.000 2.546 349 I HA -0.049 4.121 4.170 0.001 0.000 0.255 349 I C 2.697 178.897 176.117 0.138 0.000 1.163 349 I CA 0.630 61.973 61.300 0.072 0.000 1.457 349 I CB -0.133 37.904 38.000 0.063 0.000 1.092 349 I HN 0.124 nan 8.210 nan 0.000 0.434 350 R N 1.483 122.076 120.500 0.155 0.000 2.093 350 R HA -0.070 4.270 4.340 0.001 0.000 0.224 350 R C 2.236 178.530 176.300 -0.010 0.000 1.101 350 R CA 1.321 57.456 56.100 0.059 0.000 0.979 350 R CB -0.339 29.837 30.300 -0.207 0.000 0.877 350 R HN 0.287 nan 8.270 nan 0.000 0.441 351 R N 0.366 120.812 120.500 -0.089 0.000 2.055 351 R HA -0.079 4.261 4.340 0.001 0.000 0.228 351 R C -0.339 175.892 176.300 -0.115 0.000 1.143 351 R CA 1.919 57.951 56.100 -0.114 0.000 0.945 351 R CB 0.028 30.259 30.300 -0.114 0.000 0.841 351 R HN 0.094 nan 8.270 nan 0.000 0.429 352 D N 2.047 122.309 120.400 -0.229 0.000 2.434 352 D HA 0.224 4.864 4.640 0.001 0.000 0.275 352 D C -2.520 173.748 176.300 -0.053 0.000 1.172 352 D CA -1.458 52.422 54.000 -0.199 0.000 0.916 352 D CB 1.572 42.049 40.800 -0.539 0.000 1.041 352 D HN 0.174 nan 8.370 nan 0.000 0.501 353 P HA 0.038 nan 4.420 nan 0.000 0.267 353 P C -1.988 175.333 177.300 0.035 0.000 1.205 353 P CA -1.151 61.921 63.100 -0.046 0.000 0.765 353 P CB 1.204 32.783 31.700 -0.201 0.000 0.828 354 P HA -0.032 nan 4.420 nan 0.000 0.218 354 P C 0.271 177.609 177.300 0.062 0.000 1.149 354 P CA 1.382 64.532 63.100 0.083 0.000 0.817 354 P CB 0.185 31.926 31.700 0.069 0.000 0.785 355 L N -0.497 120.742 121.223 0.027 0.000 2.297 355 L HA 0.174 4.514 4.340 0.001 0.000 0.277 355 L C 1.240 178.128 176.870 0.030 0.000 1.040 355 L CA -0.552 54.317 54.840 0.048 0.000 0.867 355 L CB 1.553 43.644 42.059 0.054 0.000 1.244 355 L HN -0.254 nan 8.230 nan 0.000 0.433 356 V N 2.858 122.817 119.914 0.075 0.000 2.626 356 V HA -0.038 4.082 4.120 0.001 0.000 0.252 356 V C 0.948 177.071 176.094 0.048 0.000 1.067 356 V CA 1.390 63.733 62.300 0.072 0.000 1.081 356 V CB -0.208 31.701 31.823 0.143 0.000 0.686 356 V HN 0.644 nan 8.190 nan 0.000 0.468 357 M N 0.582 120.228 119.600 0.077 0.000 2.122 357 M HA 0.382 4.862 4.480 0.001 0.000 0.269 357 M C -1.467 174.888 176.300 0.090 0.000 0.954 357 M CA -0.015 55.321 55.300 0.060 0.000 0.998 357 M CB 1.990 34.660 32.600 0.116 0.000 1.755 357 M HN 0.047 nan 8.290 nan 0.000 0.459 358 L N 4.280 125.519 121.223 0.027 0.000 2.265 358 L HA 0.559 4.899 4.340 0.001 0.000 0.288 358 L C -0.195 176.735 176.870 0.100 0.000 1.058 358 L CA 0.018 54.950 54.840 0.153 0.000 0.809 358 L CB 0.835 43.024 42.059 0.217 0.000 1.179 358 L HN 0.667 nan 8.230 nan 0.000 0.429 359 M N 3.708 123.415 119.600 0.178 0.000 2.664 359 M HA 0.642 5.122 4.480 0.001 0.000 0.314 359 M C -0.536 175.731 176.300 -0.056 0.000 1.200 359 M CA -0.721 54.608 55.300 0.049 0.000 0.916 359 M CB 2.412 34.979 32.600 -0.055 0.000 1.717 359 M HN 0.456 nan 8.290 nan 0.000 0.470 360 R N 0.959 121.440 120.500 -0.032 0.000 2.764 360 R HA 0.515 4.855 4.340 0.001 0.000 0.270 360 R C -1.534 174.692 176.300 -0.124 0.000 1.014 360 R CA -1.108 54.893 56.100 -0.166 0.000 0.904 360 R CB 1.833 32.013 30.300 -0.200 0.000 1.236 360 R HN 0.392 nan 8.270 nan 0.000 0.466 361 K N 0.878 121.197 120.400 -0.135 0.000 2.240 361 K HA 0.290 4.610 4.320 0.001 0.000 0.271 361 K C -0.800 175.763 176.600 -0.060 0.000 1.018 361 K CA -0.453 55.785 56.287 -0.083 0.000 0.874 361 K CB 1.250 33.706 32.500 -0.073 0.000 1.098 361 K HN 0.333 nan 8.250 nan 0.000 0.458 362 V N 7.870 127.758 119.914 -0.044 0.000 2.381 362 V HA 0.045 4.166 4.120 0.001 0.000 0.257 362 V C 1.216 177.293 176.094 -0.028 0.000 1.057 362 V CA 0.085 62.363 62.300 -0.037 0.000 1.013 362 V CB -0.082 31.725 31.823 -0.027 0.000 1.069 362 V HN 0.781 nan 8.190 nan 0.000 0.484 363 L N 3.355 124.560 121.223 -0.031 0.000 2.162 363 L HA 0.178 4.518 4.340 0.001 0.000 0.205 363 L C 1.022 177.878 176.870 -0.023 0.000 1.086 363 L CA 1.029 55.856 54.840 -0.022 0.000 0.778 363 L CB -0.091 41.954 42.059 -0.025 0.000 0.928 363 L HN 0.473 nan 8.230 nan 0.000 0.446 364 K N 0.461 120.844 120.400 -0.029 0.000 2.371 364 K HA 0.376 4.696 4.320 0.001 0.000 0.251 364 K C -2.514 174.076 176.600 -0.017 0.000 0.934 364 K CA -2.074 54.200 56.287 -0.023 0.000 0.798 364 K CB 2.075 34.559 32.500 -0.028 0.000 1.204 364 K HN -0.263 nan 8.250 nan 0.000 0.427 365 P HA -0.030 nan 4.420 nan 0.000 0.265 365 P C -0.553 176.748 177.300 0.002 0.000 1.193 365 P CA -0.208 62.891 63.100 -0.001 0.000 0.765 365 P CB 0.526 32.228 31.700 0.003 0.000 0.823 366 V N 0.425 120.344 119.914 0.009 0.000 2.531 366 V HA 0.424 4.544 4.120 0.001 0.000 0.301 366 V C -0.248 175.867 176.094 0.034 0.000 1.034 366 V CA -1.210 61.099 62.300 0.016 0.000 0.865 366 V CB 1.562 33.391 31.823 0.011 0.000 0.995 366 V HN 0.191 nan 8.190 nan 0.000 0.424 367 Q N 2.674 122.495 119.800 0.035 0.000 2.271 367 Q HA 0.587 4.927 4.340 0.001 0.000 0.273 367 Q C -0.549 175.487 176.000 0.060 0.000 1.051 367 Q CA 0.402 56.232 55.803 0.045 0.000 0.901 367 Q CB 1.339 30.096 28.738 0.032 0.000 1.174 367 Q HN 0.794 nan 8.270 nan 0.000 0.385 368 V N 3.114 123.077 119.914 0.083 0.000 2.569 368 V HA 0.672 4.793 4.120 0.001 0.000 0.301 368 V C 0.713 176.875 176.094 0.113 0.000 1.044 368 V CA 0.133 62.495 62.300 0.103 0.000 0.874 368 V CB 1.207 33.098 31.823 0.113 0.000 1.002 368 V HN 1.000 nan 8.190 nan 0.000 0.424 369 G N 5.559 114.405 108.800 0.077 0.000 2.611 369 G HA2 -0.301 3.659 3.960 0.001 0.000 0.301 369 G HA3 -0.301 3.659 3.960 0.001 0.000 0.301 369 G C 0.606 175.450 174.900 -0.092 0.000 1.233 369 G CA 0.803 45.914 45.100 0.017 0.000 0.993 369 G HN 0.749 nan 8.290 nan 0.000 0.553 370 K N 0.250 120.463 120.400 -0.312 0.000 2.458 370 K HA 0.284 4.604 4.320 0.001 0.000 0.194 370 K C 0.081 176.398 176.600 -0.471 0.000 1.024 370 K CA 0.322 56.347 56.287 -0.436 0.000 1.108 370 K CB 0.284 32.440 32.500 -0.573 0.000 0.846 370 K HN 0.483 nan 8.250 nan 0.000 0.518 371 Y N -0.447 119.869 120.300 0.027 0.000 2.587 371 Y HA 0.412 4.962 4.550 0.000 0.000 0.337 371 Y C -0.011 175.898 175.900 0.014 0.000 1.065 371 Y CA -1.479 56.633 58.100 0.021 0.000 1.126 371 Y CB 1.808 40.281 38.460 0.021 0.000 1.279 371 Y HN -0.396 nan 8.280 nan 0.000 0.489 372 V N 2.649 122.679 119.914 0.194 0.000 2.357 372 V HA 0.207 4.328 4.120 0.001 0.000 0.281 372 V C -0.695 175.440 176.094 0.069 0.000 1.015 372 V CA -0.871 61.489 62.300 0.100 0.000 0.827 372 V CB 1.174 33.036 31.823 0.066 0.000 1.018 372 V HN 0.526 nan 8.190 nan 0.000 0.432 373 V N 9.158 129.102 119.914 0.050 0.000 2.446 373 V HA 0.198 4.318 4.120 0.001 0.000 0.276 373 V C -1.554 174.543 176.094 0.006 0.000 1.030 373 V CA -0.785 61.523 62.300 0.013 0.000 1.033 373 V CB 1.154 32.978 31.823 0.002 0.000 0.993 373 V HN 0.676 nan 8.190 nan 0.000 0.477 374 P HA 0.244 nan 4.420 nan 0.000 0.278 374 P C -0.503 176.790 177.300 -0.011 0.000 1.266 374 P CA -0.656 62.441 63.100 -0.004 0.000 0.807 374 P CB 0.728 32.424 31.700 -0.006 0.000 1.094 375 E N -0.076 120.118 120.200 -0.009 0.000 2.404 375 E HA 0.190 4.541 4.350 0.001 0.000 0.261 375 E C 0.953 177.545 176.600 -0.013 0.000 1.074 375 E CA 0.139 56.532 56.400 -0.012 0.000 0.917 375 E CB -0.542 29.152 29.700 -0.009 0.000 0.965 375 E HN 0.821 nan 8.360 nan 0.000 0.433 376 G N 1.842 110.634 108.800 -0.014 0.000 2.225 376 G HA2 -0.274 3.687 3.960 0.001 0.000 0.254 376 G HA3 -0.274 3.687 3.960 0.001 0.000 0.254 376 G C 0.126 175.016 174.900 -0.017 0.000 0.988 376 G CA 0.393 45.485 45.100 -0.013 0.000 0.625 376 G HN 0.719 nan 8.290 nan 0.000 0.527 377 D N 0.267 120.654 120.400 -0.022 0.000 2.344 377 D HA 0.419 5.059 4.640 0.001 0.000 0.244 377 D C 0.521 176.804 176.300 -0.029 0.000 1.134 377 D CA -0.234 53.749 54.000 -0.028 0.000 0.930 377 D CB 0.531 41.310 40.800 -0.034 0.000 1.175 377 D HN 0.237 nan 8.370 nan 0.000 0.437 378 I N 3.890 124.442 120.570 -0.029 0.000 2.297 378 I HA 0.228 4.398 4.170 0.001 0.000 0.291 378 I C 0.423 176.516 176.117 -0.041 0.000 1.033 378 I CA -0.492 60.791 61.300 -0.028 0.000 1.253 378 I CB 1.220 39.221 38.000 0.001 0.000 1.396 378 I HN 0.213 nan 8.210 nan 0.000 0.476 379 I N 6.501 127.059 120.570 -0.021 0.000 2.385 379 I HA 0.650 4.820 4.170 0.001 0.000 0.294 379 I C -0.244 175.881 176.117 0.014 0.000 0.988 379 I CA -0.131 61.165 61.300 -0.007 0.000 1.265 379 I CB 1.140 39.173 38.000 0.056 0.000 1.388 379 I HN 0.663 nan 8.210 nan 0.000 0.480 380 A N 6.578 129.290 122.820 -0.179 0.000 2.455 380 A HA 0.516 4.837 4.320 0.001 0.000 0.300 380 A C -1.382 175.754 177.584 -0.748 0.000 1.040 380 A CA -0.494 51.306 52.037 -0.394 0.000 0.697 380 A CB 1.331 20.190 19.000 -0.234 0.000 1.265 380 A HN 0.788 nan 8.150 nan 0.000 0.407 381 C N 2.304 120.813 119.300 -1.318 0.000 2.281 381 C HA 0.761 5.221 4.460 0.001 0.000 0.325 381 C C 0.638 175.298 174.990 -0.549 0.000 1.282 381 C CA -0.164 58.226 59.018 -1.046 0.000 1.640 381 C CB -0.028 26.785 27.740 -1.546 0.000 2.288 381 C HN 0.986 nan 8.230 nan 0.000 0.507 382 S N 6.895 122.405 115.700 -0.317 0.000 2.404 382 S HA 0.425 4.895 4.470 0.001 0.000 0.309 382 S C -1.475 173.036 174.600 -0.147 0.000 1.076 382 S CA -1.105 56.999 58.200 -0.160 0.000 1.095 382 S CB 1.027 64.189 63.200 -0.064 0.000 0.972 382 S HN 0.742 nan 8.310 nan 0.000 0.484 383 P HA -0.122 nan 4.420 nan 0.000 0.216 383 P C 1.585 178.596 177.300 -0.482 0.000 1.150 383 P CA 0.488 63.335 63.100 -0.421 0.000 0.843 383 P CB 0.078 31.528 31.700 -0.417 0.000 0.787 384 L N -0.864 120.228 121.223 -0.218 0.000 2.012 384 L HA -0.167 4.174 4.340 0.001 0.000 0.210 384 L C 2.104 178.960 176.870 -0.023 0.000 1.073 384 L CA 1.888 56.673 54.840 -0.091 0.000 0.748 384 L CB -1.551 40.509 42.059 0.001 0.000 0.891 384 L HN -0.105 nan 8.230 nan 0.000 0.431 385 L N -1.117 120.112 121.223 0.009 0.000 1.988 385 L HA -0.108 4.232 4.340 0.001 0.000 0.207 385 L C 2.492 179.447 176.870 0.142 0.000 1.071 385 L CA 2.160 57.051 54.840 0.086 0.000 0.744 385 L CB -1.153 40.973 42.059 0.111 0.000 0.893 385 L HN 0.284 nan 8.230 nan 0.000 0.433 386 S N -0.969 114.835 115.700 0.174 0.000 2.383 386 S HA -0.217 4.253 4.470 0.001 0.000 0.229 386 S C 1.836 176.671 174.600 0.392 0.000 1.030 386 S CA 1.269 59.663 58.200 0.323 0.000 1.002 386 S CB -0.649 62.855 63.200 0.505 0.000 0.829 386 S HN 0.595 nan 8.310 nan 0.000 0.467 387 H N 1.398 120.507 119.070 0.064 0.000 2.518 387 H HA 0.055 4.612 4.556 0.001 0.000 0.289 387 H C 1.641 176.922 175.328 -0.078 0.000 1.051 387 H CA 0.892 56.831 56.048 -0.181 0.000 1.280 387 H CB -0.103 29.483 29.762 -0.293 0.000 1.380 387 H HN 0.300 nan 8.280 nan 0.000 0.566 388 Q N 0.139 120.053 119.800 0.191 0.000 2.280 388 Q HA 0.037 4.377 4.340 0.001 0.000 0.201 388 Q C 0.053 176.178 176.000 0.209 0.000 0.890 388 Q CA -0.022 55.881 55.803 0.167 0.000 0.947 388 Q CB 0.187 28.996 28.738 0.118 0.000 1.081 388 Q HN 0.400 nan 8.270 nan 0.000 0.502 389 D N 1.886 122.452 120.400 0.277 0.000 2.346 389 D HA -0.037 4.603 4.640 0.001 0.000 0.260 389 D C 0.577 176.986 176.300 0.181 0.000 1.252 389 D CA 0.173 54.299 54.000 0.211 0.000 0.895 389 D CB 0.817 41.734 40.800 0.195 0.000 1.097 389 D HN 0.161 nan 8.370 nan 0.000 0.489 390 E N 2.849 123.126 120.200 0.128 0.000 2.267 390 E HA -0.228 4.122 4.350 0.001 0.000 0.197 390 E C 1.320 177.956 176.600 0.060 0.000 0.998 390 E CA 0.588 57.049 56.400 0.102 0.000 0.830 390 E CB 0.275 30.019 29.700 0.074 0.000 0.751 390 E HN 0.674 nan 8.360 nan 0.000 0.491 391 E N 0.844 121.073 120.200 0.048 0.000 2.047 391 E HA -0.133 4.218 4.350 0.001 0.000 0.191 391 E C 1.895 178.443 176.600 -0.087 0.000 0.987 391 E CA 1.022 57.425 56.400 0.007 0.000 0.799 391 E CB 0.024 29.753 29.700 0.048 0.000 0.752 391 E HN 0.212 nan 8.360 nan 0.000 0.449 392 A N -0.503 122.214 122.820 -0.172 0.000 2.147 392 A HA 0.126 4.447 4.320 0.001 0.000 0.211 392 A C 0.385 177.437 177.584 -0.886 0.000 1.160 392 A CA 0.111 51.829 52.037 -0.531 0.000 0.781 392 A CB 0.210 18.826 19.000 -0.641 0.000 0.842 392 A HN 0.257 nan 8.150 nan 0.000 0.475 393 F N -0.333 119.612 119.950 -0.009 0.000 2.627 393 F HA 0.297 4.824 4.527 0.001 0.000 0.344 393 F C -2.852 172.948 175.800 0.000 0.000 1.505 393 F CA -2.153 55.837 58.000 -0.016 0.000 1.111 393 F CB 1.007 39.999 39.000 -0.013 0.000 1.585 393 F HN -0.085 nan 8.300 nan 0.000 0.582 394 P HA -0.067 nan 4.420 nan 0.000 0.264 394 P C 0.405 177.755 177.300 0.083 0.000 1.183 394 P CA 0.657 63.800 63.100 0.072 0.000 0.763 394 P CB 0.409 32.127 31.700 0.031 0.000 0.807 395 N N 2.762 121.507 118.700 0.075 0.000 2.726 395 N HA -0.132 4.608 4.740 0.001 0.000 0.253 395 N C -1.692 173.867 175.510 0.080 0.000 1.059 395 N CA 0.174 53.266 53.050 0.070 0.000 0.701 395 N CB -1.000 37.522 38.487 0.059 0.000 0.899 395 N HN 0.230 nan 8.380 nan 0.000 0.548 396 P HA -0.085 nan 4.420 nan 0.000 0.216 396 P C 0.972 178.305 177.300 0.055 0.000 1.150 396 P CA 1.053 64.203 63.100 0.084 0.000 0.837 396 P CB 0.193 31.950 31.700 0.094 0.000 0.786 397 R N 0.134 120.673 120.500 0.065 0.000 2.346 397 R HA 0.106 4.447 4.340 0.001 0.000 0.225 397 R C 0.627 176.983 176.300 0.094 0.000 0.987 397 R CA 0.124 56.265 56.100 0.069 0.000 1.106 397 R CB -1.139 29.202 30.300 0.070 0.000 1.090 397 R HN 0.427 nan 8.270 nan 0.000 0.502 398 E N 0.184 120.440 120.200 0.093 0.000 2.129 398 E HA 0.042 4.392 4.350 0.001 0.000 0.268 398 E C -1.184 175.493 176.600 0.128 0.000 0.900 398 E CA -0.838 55.639 56.400 0.127 0.000 0.755 398 E CB 0.684 30.445 29.700 0.102 0.000 1.117 398 E HN 0.095 nan 8.360 nan 0.000 0.410 399 W N 6.399 127.701 121.300 0.003 0.000 2.659 399 W HA 0.155 4.815 4.660 0.000 0.000 0.342 399 W C -0.649 175.832 176.519 -0.065 0.000 1.287 399 W CA -0.151 57.124 57.345 -0.117 0.000 1.460 399 W CB 0.112 29.440 29.460 -0.220 0.000 1.503 399 W HN 0.428 nan 8.180 nan 0.000 0.483 400 N N 7.519 125.872 118.700 -0.578 0.000 2.573 400 N HA 0.349 5.089 4.740 0.001 0.000 0.262 400 N C -2.038 172.983 175.510 -0.815 0.000 1.029 400 N CA -2.271 50.428 53.050 -0.585 0.000 0.882 400 N CB 1.992 40.373 38.487 -0.177 0.000 1.204 400 N HN 0.017 nan 8.380 nan 0.000 0.519 401 P HA -0.122 nan 4.420 nan 0.000 0.216 401 P C 0.778 177.846 177.300 -0.387 0.000 1.150 401 P CA 1.118 63.708 63.100 -0.850 0.000 0.837 401 P CB 0.445 31.593 31.700 -0.921 0.000 0.786 402 E N -0.028 120.019 120.200 -0.255 0.000 2.153 402 E HA -0.129 4.222 4.350 0.001 0.000 0.194 402 E C 1.034 177.582 176.600 -0.086 0.000 0.988 402 E CA 0.535 56.893 56.400 -0.070 0.000 0.811 402 E CB -0.597 29.115 29.700 0.020 0.000 0.746 402 E HN 0.482 nan 8.360 nan 0.000 0.466 403 R N 1.535 121.963 120.500 -0.119 0.000 2.756 403 R HA 0.072 4.412 4.340 0.001 0.000 0.264 403 R C 0.251 176.502 176.300 -0.081 0.000 1.026 403 R CA 0.023 56.076 56.100 -0.078 0.000 1.121 403 R CB 0.169 30.437 30.300 -0.054 0.000 0.999 403 R HN -0.138 nan 8.270 nan 0.000 0.449 404 N N 2.057 120.713 118.700 -0.073 0.000 2.472 404 N HA 0.031 4.771 4.740 0.001 0.000 0.277 404 N C 0.580 176.033 175.510 -0.095 0.000 1.081 404 N CA -0.730 52.268 53.050 -0.088 0.000 0.973 404 N CB 0.699 39.134 38.487 -0.087 0.000 1.105 404 N HN 0.576 nan 8.380 nan 0.000 0.470 405 M N 2.896 122.435 119.600 -0.101 0.000 2.476 405 M HA -0.054 4.426 4.480 0.001 0.000 0.262 405 M C 1.552 177.802 176.300 -0.084 0.000 1.111 405 M CA 1.076 56.332 55.300 -0.073 0.000 1.127 405 M CB -0.697 31.749 32.600 -0.257 0.000 1.376 405 M HN 0.616 nan 8.290 nan 0.000 0.465 406 K N 0.632 120.972 120.400 -0.100 0.000 2.444 406 K HA 0.005 4.326 4.320 0.001 0.000 0.193 406 K C 1.693 178.222 176.600 -0.119 0.000 1.024 406 K CA 0.165 56.404 56.287 -0.080 0.000 1.077 406 K CB -0.305 32.160 32.500 -0.059 0.000 0.833 406 K HN 0.074 nan 8.250 nan 0.000 0.517 407 L N 1.317 122.432 121.223 -0.180 0.000 2.081 407 L HA -0.051 4.289 4.340 0.001 0.000 0.212 407 L C 0.075 176.834 176.870 -0.184 0.000 1.080 407 L CA 1.566 56.295 54.840 -0.186 0.000 0.754 407 L CB -0.194 41.712 42.059 -0.254 0.000 0.893 407 L HN 0.079 nan 8.230 nan 0.000 0.433 408 V N 1.342 121.111 119.914 -0.241 0.000 2.444 408 V HA 0.301 4.422 4.120 0.001 0.000 0.294 408 V C -0.549 175.451 176.094 -0.157 0.000 1.022 408 V CA -1.229 60.937 62.300 -0.223 0.000 0.850 408 V CB 1.285 32.902 31.823 -0.343 0.000 0.992 408 V HN 0.085 nan 8.190 nan 0.000 0.426 409 D N 3.478 123.817 120.400 -0.101 0.000 2.417 409 D HA 0.396 5.036 4.640 0.001 0.000 0.250 409 D C 1.239 177.523 176.300 -0.026 0.000 1.166 409 D CA 1.868 55.846 54.000 -0.037 0.000 0.881 409 D CB 1.206 42.002 40.800 -0.006 0.000 1.164 409 D HN 0.996 nan 8.370 nan 0.000 0.467 410 G N 2.753 111.576 108.800 0.038 0.000 2.179 410 G HA2 -0.329 3.631 3.960 0.001 0.000 0.260 410 G HA3 -0.329 3.631 3.960 0.001 0.000 0.260 410 G C 1.111 176.055 174.900 0.074 0.000 0.977 410 G CA 0.831 45.986 45.100 0.091 0.000 0.641 410 G HN 0.778 nan 8.290 nan 0.000 0.533 411 A N -0.422 122.389 122.820 -0.015 0.000 1.929 411 A HA 0.488 4.808 4.320 0.001 0.000 0.216 411 A C 1.046 178.829 177.584 0.331 0.000 1.176 411 A CA 1.359 53.362 52.037 -0.056 0.000 0.628 411 A CB -0.131 18.809 19.000 -0.100 0.000 0.816 411 A HN 1.316 nan 8.150 nan 0.000 0.444 412 F N 0.910 121.001 119.950 0.235 0.000 2.445 412 F HA 0.369 4.896 4.527 0.001 0.000 0.359 412 F C 0.449 176.423 175.800 0.290 0.000 1.101 412 F CA -0.783 57.377 58.000 0.268 0.000 1.177 412 F CB 0.851 39.947 39.000 0.160 0.000 1.110 412 F HN 0.228 nan 8.300 nan 0.000 0.522 413 C N 3.768 122.925 119.300 -0.239 0.000 3.061 413 C HA 0.419 4.880 4.460 0.001 0.000 0.249 413 C C 1.701 176.407 174.990 -0.474 0.000 2.060 413 C CA -0.252 58.590 59.018 -0.294 0.000 1.649 413 C CB -0.465 27.247 27.740 -0.047 0.000 3.268 413 C HN 0.988 nan 8.230 nan 0.000 0.457 414 G N 0.823 108.986 108.800 -1.061 0.000 2.448 414 G HA2 -0.038 3.923 3.960 0.001 0.000 0.219 414 G HA3 -0.038 3.923 3.960 0.001 0.000 0.219 414 G C 0.610 175.109 174.900 -0.667 0.000 1.127 414 G CA 1.011 45.624 45.100 -0.811 0.000 0.766 414 G HN 0.609 nan 8.290 nan 0.000 0.552 415 F N 0.965 120.844 119.950 -0.118 0.000 2.772 415 F HA 0.454 4.981 4.527 0.000 0.000 0.302 415 F C 1.597 177.405 175.800 0.013 0.000 1.136 415 F CA -0.299 57.720 58.000 0.032 0.000 1.322 415 F CB 0.374 39.443 39.000 0.114 0.000 0.967 415 F HN 0.330 nan 8.300 nan 0.000 0.513 416 G N 1.411 110.237 108.800 0.044 0.000 2.598 416 G HA2 0.096 4.057 3.960 0.001 0.000 0.269 416 G HA3 0.096 4.057 3.960 0.001 0.000 0.269 416 G C -0.252 174.465 174.900 -0.303 0.000 1.289 416 G CA -0.227 44.858 45.100 -0.026 0.000 0.926 416 G HN 1.029 nan 8.290 nan 0.000 0.567 417 A N -3.301 119.299 122.820 -0.368 0.000 2.467 417 A HA 1.042 5.362 4.320 0.001 0.000 0.301 417 A C 1.510 179.145 177.584 0.085 0.000 1.126 417 A CA 1.165 53.052 52.037 -0.251 0.000 0.632 417 A CB 0.341 19.010 19.000 -0.552 0.000 1.331 417 A HN 3.013 nan 8.150 nan 0.000 0.482 418 G N -0.992 107.868 108.800 0.100 0.000 2.672 418 G HA2 -0.169 3.791 3.960 0.001 0.000 0.324 418 G HA3 -0.169 3.791 3.960 0.001 0.000 0.324 418 G C 1.245 176.211 174.900 0.109 0.000 1.286 418 G CA 2.177 47.362 45.100 0.142 0.000 1.004 418 G HN 1.812 nan 8.290 nan 0.000 0.548 419 V N 0.408 120.382 119.914 0.100 0.000 2.343 419 V HA -0.091 4.029 4.120 0.001 0.000 0.247 419 V C 1.825 177.833 176.094 -0.145 0.000 1.051 419 V CA 2.556 64.834 62.300 -0.038 0.000 1.036 419 V CB -0.537 31.252 31.823 -0.057 0.000 0.654 419 V HN 0.667 nan 8.190 nan 0.000 0.451 420 H N 0.824 119.992 119.070 0.163 0.000 2.503 420 H HA 0.221 4.778 4.556 0.000 0.000 0.296 420 H C 0.615 176.066 175.328 0.206 0.000 1.097 420 H CA -0.420 55.746 56.048 0.197 0.000 1.055 420 H CB 0.044 29.956 29.762 0.250 0.000 1.580 420 H HN 0.606 nan 8.280 nan 0.000 0.546 421 K N 0.049 120.577 120.400 0.213 0.000 2.469 421 K HA 0.022 4.343 4.320 0.001 0.000 0.274 421 K C 0.177 176.895 176.600 0.196 0.000 0.983 421 K CA -0.328 56.068 56.287 0.183 0.000 0.974 421 K CB 0.707 33.272 32.500 0.110 0.000 0.913 421 K HN 0.030 nan 8.250 nan 0.000 0.493 422 C N 5.266 124.707 119.300 0.234 0.000 2.601 422 C HA 0.039 4.499 4.460 0.001 0.000 0.405 422 C C 1.719 176.809 174.990 0.167 0.000 1.441 422 C CA -0.542 58.624 59.018 0.247 0.000 1.555 422 C CB -1.802 26.166 27.740 0.380 0.000 2.450 422 C HN 0.953 nan 8.230 nan 0.000 0.614 423 I N 3.572 124.231 120.570 0.147 0.000 3.735 423 I HA 0.314 4.484 4.170 0.001 0.000 0.310 423 I C 1.309 177.504 176.117 0.130 0.000 1.270 423 I CA 0.957 62.321 61.300 0.106 0.000 1.207 423 I CB -0.308 37.735 38.000 0.071 0.000 1.013 423 I HN 0.667 nan 8.210 nan 0.000 0.452 424 G N 0.745 109.651 108.800 0.176 0.000 3.441 424 G HA2 0.069 4.030 3.960 0.001 0.000 0.263 424 G HA3 0.069 4.030 3.960 0.001 0.000 0.263 424 G C 1.047 176.097 174.900 0.250 0.000 1.014 424 G CA -0.069 45.176 45.100 0.240 0.000 0.833 424 G HN 0.431 nan 8.290 nan 0.000 0.514 425 E N 1.050 121.327 120.200 0.128 0.000 2.070 425 E HA -0.201 4.149 4.350 0.001 0.000 0.197 425 E C 2.026 178.606 176.600 -0.035 0.000 1.004 425 E CA 1.036 57.384 56.400 -0.087 0.000 0.805 425 E CB 0.083 29.502 29.700 -0.470 0.000 0.744 425 E HN 0.133 nan 8.360 nan 0.000 0.451 426 K N 0.155 120.582 120.400 0.044 0.000 2.002 426 K HA -0.168 4.152 4.320 0.001 0.000 0.209 426 K C 2.092 178.847 176.600 0.258 0.000 1.048 426 K CA 1.200 57.525 56.287 0.063 0.000 0.930 426 K CB -0.829 31.691 32.500 0.035 0.000 0.714 426 K HN 0.219 nan 8.250 nan 0.000 0.438 427 F N 1.642 121.826 119.950 0.391 0.000 2.171 427 F HA -0.123 4.404 4.527 0.001 0.000 0.300 427 F C 2.090 178.054 175.800 0.273 0.000 1.090 427 F CA 1.813 60.115 58.000 0.502 0.000 1.293 427 F CB -0.641 38.524 39.000 0.274 0.000 1.013 427 F HN 0.072 nan 8.300 nan 0.000 0.486 428 G N 0.623 109.534 108.800 0.185 0.000 2.418 428 G HA2 -0.205 3.755 3.960 0.001 0.000 0.217 428 G HA3 -0.205 3.755 3.960 0.001 0.000 0.217 428 G C 1.781 176.686 174.900 0.009 0.000 1.158 428 G CA 0.994 46.135 45.100 0.067 0.000 0.771 428 G HN 0.434 nan 8.290 nan 0.000 0.545 429 L N -0.341 120.907 121.223 0.041 0.000 2.093 429 L HA 0.013 4.353 4.340 0.001 0.000 0.208 429 L C 2.687 179.532 176.870 -0.041 0.000 1.085 429 L CA 0.319 55.166 54.840 0.012 0.000 0.755 429 L CB -0.345 41.702 42.059 -0.018 0.000 0.904 429 L HN 0.222 nan 8.230 nan 0.000 0.435 430 L N -0.276 120.919 121.223 -0.047 0.000 2.013 430 L HA -0.288 4.052 4.340 0.001 0.000 0.212 430 L C 2.588 179.399 176.870 -0.098 0.000 1.073 430 L CA 1.860 56.673 54.840 -0.046 0.000 0.753 430 L CB -0.408 41.715 42.059 0.107 0.000 0.890 430 L HN 0.271 nan 8.230 nan 0.000 0.432 431 Q N -1.290 118.392 119.800 -0.198 0.000 1.965 431 Q HA -0.185 4.156 4.340 0.001 0.000 0.200 431 Q C 2.178 178.111 176.000 -0.112 0.000 0.981 431 Q CA 2.013 57.696 55.803 -0.199 0.000 0.834 431 Q CB -0.507 28.052 28.738 -0.298 0.000 0.900 431 Q HN 0.429 nan 8.270 nan 0.000 0.426 432 V N 1.623 121.489 119.914 -0.079 0.000 2.277 432 V HA -0.366 3.754 4.120 0.001 0.000 0.255 432 V C 2.106 178.180 176.094 -0.032 0.000 1.074 432 V CA 2.314 64.594 62.300 -0.033 0.000 1.058 432 V CB -0.526 31.307 31.823 0.016 0.000 0.656 432 V HN 0.338 nan 8.190 nan 0.000 0.449 433 K N -0.750 119.624 120.400 -0.043 0.000 2.031 433 K HA -0.091 4.229 4.320 0.001 0.000 0.205 433 K C 2.218 178.781 176.600 -0.062 0.000 1.049 433 K CA 1.705 57.962 56.287 -0.050 0.000 0.939 433 K CB -0.497 31.962 32.500 -0.068 0.000 0.717 433 K HN 0.432 nan 8.250 nan 0.000 0.438 434 T N 0.860 115.371 114.554 -0.071 0.000 2.833 434 T HA -0.086 4.265 4.350 0.001 0.000 0.269 434 T C 1.913 176.585 174.700 -0.046 0.000 1.054 434 T CA 1.009 63.068 62.100 -0.068 0.000 1.135 434 T CB -0.068 68.767 68.868 -0.054 0.000 0.869 434 T HN -0.062 nan 8.240 nan 0.000 0.466 435 V N 1.216 121.102 119.914 -0.047 0.000 2.379 435 V HA -0.050 4.071 4.120 0.001 0.000 0.245 435 V C 2.412 178.512 176.094 0.009 0.000 1.044 435 V CA 1.160 63.441 62.300 -0.032 0.000 1.036 435 V CB -0.639 31.147 31.823 -0.062 0.000 0.664 435 V HN 0.412 nan 8.190 nan 0.000 0.453 436 L N 0.270 121.496 121.223 0.005 0.000 1.943 436 L HA -0.226 4.114 4.340 0.001 0.000 0.215 436 L C 2.850 179.744 176.870 0.041 0.000 1.074 436 L CA 1.954 56.813 54.840 0.033 0.000 0.759 436 L CB -1.017 41.054 42.059 0.020 0.000 0.888 436 L HN 0.352 nan 8.230 nan 0.000 0.433 437 A N -0.284 122.539 122.820 0.005 0.000 1.881 437 A HA -0.315 4.006 4.320 0.001 0.000 0.219 437 A C 2.328 179.933 177.584 0.036 0.000 1.215 437 A CA 2.995 55.031 52.037 -0.002 0.000 0.648 437 A CB -1.347 17.614 19.000 -0.065 0.000 0.832 437 A HN 0.505 nan 8.150 nan 0.000 0.455 438 T N -0.392 114.185 114.554 0.039 0.000 2.607 438 T HA -0.164 4.187 4.350 0.001 0.000 0.267 438 T C 1.897 176.689 174.700 0.153 0.000 1.049 438 T CA 1.891 64.036 62.100 0.076 0.000 1.162 438 T CB -0.720 68.179 68.868 0.051 0.000 0.863 438 T HN 0.188 nan 8.240 nan 0.000 0.424 439 V N 1.588 121.613 119.914 0.184 0.000 2.287 439 V HA -0.131 3.989 4.120 0.001 0.000 0.248 439 V C 2.515 178.823 176.094 0.356 0.000 1.053 439 V CA 1.609 64.105 62.300 0.327 0.000 1.027 439 V CB -0.758 31.273 31.823 0.347 0.000 0.646 439 V HN 0.436 nan 8.190 nan 0.000 0.447 440 L N -0.303 121.061 121.223 0.235 0.000 2.275 440 L HA -0.098 4.242 4.340 0.001 0.000 0.215 440 L C 2.648 179.593 176.870 0.125 0.000 1.119 440 L CA 1.280 56.225 54.840 0.175 0.000 0.790 440 L CB -0.591 41.468 42.059 -0.000 0.000 0.919 440 L HN 0.289 nan 8.230 nan 0.000 0.443 441 R N 0.067 120.633 120.500 0.111 0.000 2.189 441 R HA -0.135 4.205 4.340 0.001 0.000 0.223 441 R C 0.879 177.248 176.300 0.116 0.000 1.092 441 R CA 1.431 57.597 56.100 0.110 0.000 0.989 441 R CB 0.146 30.504 30.300 0.097 0.000 0.876 441 R HN 0.322 nan 8.270 nan 0.000 0.457 442 D N -1.741 118.745 120.400 0.144 0.000 2.479 442 D HA 0.099 4.739 4.640 0.001 0.000 0.221 442 D C -0.689 175.451 176.300 -0.267 0.000 1.104 442 D CA 0.448 54.440 54.000 -0.013 0.000 0.849 442 D CB 0.566 41.410 40.800 0.072 0.000 1.072 442 D HN 0.045 nan 8.370 nan 0.000 0.502 443 Y N 0.475 120.789 120.300 0.023 0.000 2.553 443 Y HA 0.367 4.918 4.550 0.001 0.000 0.347 443 Y C -0.188 175.584 175.900 -0.214 0.000 1.019 443 Y CA -1.081 56.922 58.100 -0.161 0.000 1.032 443 Y CB 1.842 40.098 38.460 -0.339 0.000 1.284 443 Y HN -0.353 nan 8.280 nan 0.000 0.466 444 D N 0.810 121.094 120.400 -0.194 0.000 2.392 444 D HA 0.587 5.227 4.640 0.001 0.000 0.246 444 D C -1.245 174.748 176.300 -0.513 0.000 1.013 444 D CA -0.235 53.665 54.000 -0.165 0.000 0.993 444 D CB 1.644 42.415 40.800 -0.048 0.000 1.219 444 D HN 0.265 nan 8.370 nan 0.000 0.538 445 F N -0.240 119.760 119.950 0.083 0.000 2.613 445 F HA 0.383 4.910 4.527 0.001 0.000 0.310 445 F C 0.192 175.999 175.800 0.012 0.000 1.085 445 F CA -0.745 57.273 58.000 0.031 0.000 0.945 445 F CB 2.277 41.279 39.000 0.003 0.000 1.298 445 F HN -0.013 nan 8.300 nan 0.000 0.455 446 E N 1.802 122.118 120.200 0.194 0.000 2.340 446 E HA 0.531 4.881 4.350 0.001 0.000 0.273 446 E C -1.394 175.243 176.600 0.062 0.000 0.891 446 E CA -0.910 55.546 56.400 0.095 0.000 0.757 446 E CB 3.078 32.803 29.700 0.042 0.000 1.231 446 E HN 0.400 nan 8.360 nan 0.000 0.439 447 L N 2.442 123.684 121.223 0.031 0.000 2.418 447 L HA 0.264 4.605 4.340 0.001 0.000 0.265 447 L C 0.887 177.755 176.870 -0.004 0.000 1.143 447 L CA -0.144 54.697 54.840 0.002 0.000 0.809 447 L CB 0.514 42.569 42.059 -0.007 0.000 1.124 447 L HN 0.516 nan 8.230 nan 0.000 0.456 448 L N 1.036 122.250 121.223 -0.015 0.000 2.693 448 L HA 0.382 4.723 4.340 0.001 0.000 0.235 448 L C 0.690 177.552 176.870 -0.014 0.000 1.127 448 L CA -0.015 54.816 54.840 -0.016 0.000 0.914 448 L CB 0.330 42.376 42.059 -0.022 0.000 1.193 448 L HN 0.778 nan 8.230 nan 0.000 0.502 449 G N -0.630 108.162 108.800 -0.014 0.000 2.634 449 G HA2 0.418 4.378 3.960 0.001 0.000 0.309 449 G HA3 0.418 4.378 3.960 0.001 0.000 0.309 449 G C -2.897 171.998 174.900 -0.007 0.000 1.299 449 G CA -0.544 44.550 45.100 -0.009 0.000 0.798 449 G HN -0.281 nan 8.290 nan 0.000 0.490 450 P HA 0.304 nan 4.420 nan 0.000 0.269 450 P C -0.103 177.196 177.300 -0.002 0.000 1.215 450 P CA -0.477 62.627 63.100 0.006 0.000 0.780 450 P CB 0.882 32.590 31.700 0.013 0.000 0.898 451 L N 4.113 125.339 121.223 0.005 0.000 2.559 451 L HA 0.059 4.400 4.340 0.001 0.000 0.282 451 L C -1.978 174.900 176.870 0.014 0.000 1.232 451 L CA -0.729 54.108 54.840 -0.004 0.000 0.885 451 L CB -1.027 41.037 42.059 0.008 0.000 1.131 451 L HN 0.328 nan 8.230 nan 0.000 0.498 452 P HA 0.108 nan 4.420 nan 0.000 0.268 452 P C -1.217 176.146 177.300 0.106 0.000 1.205 452 P CA -0.116 62.977 63.100 -0.011 0.000 0.771 452 P CB 0.556 32.172 31.700 -0.141 0.000 0.858 453 E N 4.183 124.423 120.200 0.067 0.000 2.191 453 E HA 0.324 4.674 4.350 0.001 0.000 0.278 453 E C -2.257 174.381 176.600 0.064 0.000 0.972 453 E CA -2.842 53.623 56.400 0.108 0.000 0.804 453 E CB 0.283 30.022 29.700 0.065 0.000 1.110 453 E HN 0.285 nan 8.360 nan 0.000 0.394 454 P HA -0.088 nan 4.420 nan 0.000 0.264 454 P C -0.864 176.161 177.300 -0.459 0.000 1.183 454 P CA 0.381 63.414 63.100 -0.112 0.000 0.763 454 P CB 0.320 31.875 31.700 -0.242 0.000 0.807 455 N N 2.405 120.849 118.700 -0.427 0.000 2.469 455 N HA 0.149 4.889 4.740 0.001 0.000 0.253 455 N C -0.113 175.138 175.510 -0.433 0.000 0.970 455 N CA -0.496 52.329 53.050 -0.375 0.000 0.940 455 N CB 0.363 38.747 38.487 -0.172 0.000 1.128 455 N HN 0.291 nan 8.380 nan 0.000 0.503 456 Y N 1.623 121.779 120.300 -0.241 0.000 2.461 456 Y HA 0.130 4.680 4.550 0.001 0.000 0.277 456 Y C 0.999 176.769 175.900 -0.217 0.000 1.182 456 Y CA -0.243 57.723 58.100 -0.223 0.000 1.276 456 Y CB 0.148 38.453 38.460 -0.259 0.000 1.087 456 Y HN 0.630 nan 8.280 nan 0.000 0.519 457 H N -0.096 119.007 119.070 0.055 0.000 2.538 457 H HA 0.152 4.709 4.556 0.001 0.000 0.286 457 H C 0.553 175.885 175.328 0.006 0.000 1.035 457 H CA 0.480 56.542 56.048 0.023 0.000 1.169 457 H CB -0.229 29.537 29.762 0.006 0.000 1.417 457 H HN 0.199 nan 8.280 nan 0.000 0.567 458 T N -3.774 110.832 114.554 0.085 0.000 2.893 458 T HA 0.263 4.613 4.350 0.001 0.000 0.291 458 T C 1.365 176.089 174.700 0.039 0.000 1.028 458 T CA -0.853 61.272 62.100 0.041 0.000 0.995 458 T CB 2.383 71.251 68.868 -0.001 0.000 1.051 458 T HN 0.055 nan 8.240 nan 0.000 0.470 459 M N 2.141 121.760 119.600 0.031 0.000 2.110 459 M HA -0.039 4.442 4.480 0.001 0.000 0.257 459 M C 0.058 176.398 176.300 0.068 0.000 1.071 459 M CA 1.913 57.250 55.300 0.062 0.000 1.096 459 M CB -0.147 32.517 32.600 0.105 0.000 1.300 459 M HN 0.571 nan 8.290 nan 0.000 0.411 460 V N 2.290 122.208 119.914 0.007 0.000 2.348 460 V HA 0.200 4.320 4.120 0.001 0.000 0.270 460 V C -0.097 175.999 176.094 0.002 0.000 1.037 460 V CA -0.795 61.506 62.300 0.002 0.000 0.872 460 V CB 0.676 32.456 31.823 -0.073 0.000 1.002 460 V HN 0.098 nan 8.190 nan 0.000 0.464 461 V N 5.073 125.011 119.914 0.040 0.000 2.637 461 V HA 0.640 4.761 4.120 0.001 0.000 0.296 461 V C 0.958 177.068 176.094 0.027 0.000 1.046 461 V CA 0.784 63.095 62.300 0.018 0.000 1.066 461 V CB 0.900 32.758 31.823 0.057 0.000 0.968 461 V HN 1.030 nan 8.190 nan 0.000 0.483 462 G N 5.277 114.043 108.800 -0.056 0.000 2.788 462 G HA2 0.693 4.654 3.960 0.001 0.000 0.293 462 G HA3 0.693 4.654 3.960 0.001 0.000 0.293 462 G C -3.203 171.522 174.900 -0.292 0.000 1.392 462 G CA -1.234 43.779 45.100 -0.145 0.000 0.810 462 G HN 0.503 nan 8.290 nan 0.000 0.508 463 P HA 0.183 nan 4.420 nan 0.000 0.269 463 P C 0.136 177.206 177.300 -0.383 0.000 1.215 463 P CA 0.135 62.788 63.100 -0.745 0.000 0.780 463 P CB 0.369 31.283 31.700 -1.309 0.000 0.898 464 T N 2.065 116.472 114.554 -0.245 0.000 2.871 464 T HA 0.119 4.469 4.350 0.001 0.000 0.296 464 T C 1.704 176.304 174.700 -0.167 0.000 0.998 464 T CA 0.552 62.556 62.100 -0.159 0.000 1.162 464 T CB 0.294 69.104 68.868 -0.096 0.000 0.947 464 T HN 0.424 nan 8.240 nan 0.000 0.536 465 A N 3.713 126.454 122.820 -0.132 0.000 1.902 465 A HA -0.089 4.231 4.320 0.001 0.000 0.217 465 A C 2.423 179.954 177.584 -0.088 0.000 1.181 465 A CA 1.673 53.640 52.037 -0.117 0.000 0.623 465 A CB -0.775 18.177 19.000 -0.081 0.000 0.818 465 A HN 0.847 nan 8.150 nan 0.000 0.443 466 S N -0.567 115.095 115.700 -0.064 0.000 2.547 466 S HA -0.117 4.353 4.470 0.001 0.000 0.235 466 S C 1.357 175.926 174.600 -0.051 0.000 0.980 466 S CA 1.143 59.316 58.200 -0.045 0.000 0.941 466 S CB -0.290 62.893 63.200 -0.028 0.000 0.763 466 S HN 0.716 nan 8.310 nan 0.000 0.532 467 Q N -0.696 119.060 119.800 -0.072 0.000 2.247 467 Q HA 0.295 4.635 4.340 0.001 0.000 0.204 467 Q C 0.322 176.263 176.000 -0.099 0.000 0.872 467 Q CA -0.124 55.636 55.803 -0.073 0.000 0.951 467 Q CB 0.236 28.932 28.738 -0.070 0.000 1.099 467 Q HN 0.549 nan 8.270 nan 0.000 0.501 468 C N 1.582 120.814 119.300 -0.114 0.000 2.435 468 C HA 0.260 4.721 4.460 0.001 0.000 0.326 468 C C 0.526 175.458 174.990 -0.096 0.000 1.328 468 C CA -0.427 58.508 59.018 -0.138 0.000 1.741 468 C CB -1.132 26.501 27.740 -0.178 0.000 1.998 468 C HN 0.269 nan 8.230 nan 0.000 0.585 469 R N 0.859 121.319 120.500 -0.066 0.000 2.298 469 R HA 0.574 4.915 4.340 0.001 0.000 0.310 469 R C -0.699 175.575 176.300 -0.042 0.000 1.068 469 R CA 0.225 56.300 56.100 -0.042 0.000 0.957 469 R CB 1.001 31.283 30.300 -0.029 0.000 1.003 469 R HN 0.136 nan 8.270 nan 0.000 0.454 470 V N 2.452 122.348 119.914 -0.030 0.000 3.114 470 V HA 0.323 4.443 4.120 0.001 0.000 0.308 470 V C -0.492 175.604 176.094 0.004 0.000 1.168 470 V CA -1.055 61.238 62.300 -0.012 0.000 1.015 470 V CB 2.598 34.406 31.823 -0.024 0.000 1.050 470 V HN 0.643 nan 8.190 nan 0.000 0.433 471 K N 1.943 122.348 120.400 0.009 0.000 2.110 471 K HA 0.599 4.919 4.320 0.001 0.000 0.263 471 K C -1.645 174.964 176.600 0.015 0.000 0.975 471 K CA -0.429 55.814 56.287 -0.073 0.000 0.895 471 K CB 1.496 33.936 32.500 -0.100 0.000 1.060 471 K HN 0.731 nan 8.250 nan 0.000 0.448 472 Y N 1.197 121.424 120.300 -0.121 0.000 2.409 472 Y HA 0.545 5.095 4.550 0.001 0.000 0.343 472 Y C -1.284 174.481 175.900 -0.225 0.000 0.973 472 Y CA -1.653 56.242 58.100 -0.341 0.000 1.064 472 Y CB 0.689 38.783 38.460 -0.609 0.000 1.207 472 Y HN 0.290 nan 8.280 nan 0.000 0.452 473 I N 4.305 124.874 120.570 -0.001 0.000 2.321 473 I HA 0.348 4.519 4.170 0.001 0.000 0.291 473 I C 0.129 176.284 176.117 0.064 0.000 0.998 473 I CA -0.753 60.568 61.300 0.035 0.000 1.227 473 I CB 1.263 39.233 38.000 -0.050 0.000 1.368 473 I HN 0.645 nan 8.210 nan 0.000 0.466 474 K N 4.525 124.977 120.400 0.086 0.000 2.126 474 K HA 0.314 4.634 4.320 0.001 0.000 0.257 474 K C -0.086 176.399 176.600 -0.191 0.000 1.007 474 K CA -0.709 55.464 56.287 -0.191 0.000 0.928 474 K CB 0.704 33.189 32.500 -0.026 0.000 1.013 474 K HN 0.234 nan 8.250 nan 0.000 0.473 475 K N 3.709 123.943 120.400 -0.278 0.000 2.758 475 K HA 0.131 4.452 4.320 0.001 0.000 0.250 475 K C -0.197 176.345 176.600 -0.097 0.000 1.268 475 K CA 0.064 56.259 56.287 -0.152 0.000 1.228 475 K CB 0.046 32.462 32.500 -0.140 0.000 1.715 475 K HN 0.434 nan 8.250 nan 0.000 0.334 476 K N 0.000 120.360 120.400 -0.067 0.000 2.780 476 K HA 0.000 4.320 4.320 0.001 0.000 0.191 476 K CA 0.000 56.264 56.287 -0.038 0.000 0.838 476 K CB 0.000 32.487 32.500 -0.022 0.000 1.064 476 K HN 0.000 nan 8.250 nan 0.000 0.543