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 3jyh_1_D DATA FIRST_RESID 28 DATA SEQUENCE DPGFQERFFQ QRLDHFNFER FGNKTFPQRF LVSDRFWVRG EGPIFFYTGN DATA SEQUENCE EGDVWAFANN SAFVAELAAE RGALLVFAEH RYYGKSLPFG AQSTQRGHTE DATA SEQUENCE LLTVEQALAD FAELLRALRR DLGAQDAPAI AFGGSYGGML SAYLRMKYPH DATA SEQUENCE LVAGALAASA PVLAVAGLGD SNQFFRDVTA DFEGQSPKcT QGVREAFRQI DATA SEQUENCE KDLFLQGAYD TVRWEFGTcQ PLSDEKDLTQ LFMFARNAFT VLAMMDYPYP DATA SEQUENCE TDFLGPLPAN PVKVGcDRLL SEAQRITGLR ALAGLVYNAS GSEHcYDIYR DATA SEQUENCE LYHScADPTG cGTGPDARAW DYQAcTEINL TFASNNVTDM FPDLPFTDEL DATA SEQUENCE RQRYcLDTWG VWPRPDWLLT SFWGGDLRAA SNIIFSNGNL DPWAGGGIRR DATA SEQUENCE NLSASVIAVT IQGGAHHLDL RASHPEDPAS VVEARKLEAT IIGEWVKAAR 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 D HA 0.000 nan 4.640 nan 0.000 0.175 28 D C 0.000 176.277 176.300 -0.039 0.000 2.045 28 D CA 0.000 53.949 54.000 -0.084 0.000 0.868 28 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 29 P HA 0.533 nan 4.420 nan 0.000 0.271 29 P C 0.749 177.774 177.300 -0.459 0.000 1.233 29 P CA 0.048 62.927 63.100 -0.367 0.000 0.789 29 P CB 1.054 32.462 31.700 -0.486 0.000 0.951 30 G N 1.166 109.709 108.800 -0.429 0.000 3.714 30 G HA2 0.336 4.297 3.960 0.001 0.000 0.276 30 G HA3 0.336 4.297 3.960 0.001 0.000 0.276 30 G C -0.331 174.484 174.900 -0.141 0.000 1.058 30 G CA -0.438 44.524 45.100 -0.229 0.000 1.700 30 G HN 0.230 nan 8.290 nan 0.000 0.605 31 F N 0.870 120.819 119.950 -0.002 0.000 2.590 31 F HA 0.111 4.639 4.527 0.001 0.000 0.389 31 F C 1.171 176.996 175.800 0.042 0.000 1.049 31 F CA 0.114 58.100 58.000 -0.024 0.000 1.199 31 F CB 0.668 39.611 39.000 -0.095 0.000 1.058 31 F HN 0.346 nan 8.300 nan 0.000 0.556 32 Q N 2.458 122.356 119.800 0.164 0.000 2.307 32 Q HA 0.227 4.567 4.340 0.001 0.000 0.262 32 Q C -0.350 175.619 176.000 -0.051 0.000 0.961 32 Q CA -0.770 55.076 55.803 0.071 0.000 0.882 32 Q CB 1.725 30.468 28.738 0.009 0.000 1.264 32 Q HN 0.559 nan 8.270 nan 0.000 0.446 33 E N 3.782 123.994 120.200 0.019 0.000 2.220 33 E HA 0.026 4.377 4.350 0.001 0.000 0.272 33 E C -0.558 175.887 176.600 -0.259 0.000 1.099 33 E CA -0.067 56.259 56.400 -0.124 0.000 0.907 33 E CB 0.438 30.213 29.700 0.126 0.000 1.022 33 E HN 0.324 nan 8.360 nan 0.000 0.428 34 R N 3.261 123.392 120.500 -0.615 0.000 2.939 34 R HA 0.548 4.889 4.340 0.001 0.000 0.254 34 R C -0.958 174.897 176.300 -0.742 0.000 1.123 34 R CA -0.782 54.936 56.100 -0.635 0.000 1.020 34 R CB 0.992 30.658 30.300 -1.057 0.000 1.206 34 R HN 0.457 nan 8.270 nan 0.000 0.491 35 F N 0.090 119.968 119.950 -0.121 0.000 2.569 35 F HA 0.423 4.950 4.527 0.001 0.000 0.312 35 F C -0.598 175.441 175.800 0.398 0.000 1.109 35 F CA -0.810 57.279 58.000 0.148 0.000 0.919 35 F CB 1.758 40.796 39.000 0.063 0.000 1.211 35 F HN 0.257 nan 8.300 nan 0.000 0.446 36 F N 3.124 123.325 119.950 0.418 0.000 2.482 36 F HA 0.457 4.984 4.527 0.001 0.000 0.331 36 F C -0.310 175.492 175.800 0.004 0.000 1.115 36 F CA -0.789 57.332 58.000 0.202 0.000 0.955 36 F CB 1.331 40.367 39.000 0.059 0.000 1.136 36 F HN 0.301 nan 8.300 nan 0.000 0.452 37 Q N 4.963 124.365 119.800 -0.664 0.000 2.381 37 Q HA 0.075 4.415 4.340 0.001 0.000 0.243 37 Q C -0.670 174.760 176.000 -0.950 0.000 1.154 37 Q CA -0.022 55.399 55.803 -0.636 0.000 0.899 37 Q CB 0.804 29.296 28.738 -0.409 0.000 1.396 37 Q HN 0.639 nan 8.270 nan 0.000 0.485 38 Q N 2.276 121.601 119.800 -0.792 0.000 2.241 38 Q HA 0.211 4.552 4.340 0.001 0.000 0.254 38 Q C -0.636 175.135 176.000 -0.381 0.000 0.917 38 Q CA -0.363 55.087 55.803 -0.587 0.000 0.919 38 Q CB 0.823 29.150 28.738 -0.686 0.000 1.237 38 Q HN 0.326 nan 8.270 nan 0.000 0.434 39 R N 3.276 123.632 120.500 -0.239 0.000 2.538 39 R HA -0.057 4.284 4.340 0.001 0.000 0.282 39 R C 0.687 176.890 176.300 -0.162 0.000 1.009 39 R CA -0.229 55.709 56.100 -0.271 0.000 1.063 39 R CB 0.313 30.327 30.300 -0.476 0.000 0.945 39 R HN 0.665 nan 8.270 nan 0.000 0.414 40 L N 1.353 122.528 121.223 -0.079 0.000 2.017 40 L HA -0.142 4.198 4.340 0.001 0.000 0.208 40 L C 0.770 177.532 176.870 -0.180 0.000 1.073 40 L CA 1.940 56.701 54.840 -0.133 0.000 0.745 40 L CB -0.247 41.648 42.059 -0.275 0.000 0.894 40 L HN 0.595 nan 8.230 nan 0.000 0.432 41 D N -2.459 117.839 120.400 -0.169 0.000 2.473 41 D HA 0.119 4.759 4.640 0.001 0.000 0.253 41 D C 0.680 176.855 176.300 -0.208 0.000 1.233 41 D CA -0.250 53.728 54.000 -0.037 0.000 0.908 41 D CB 0.626 41.557 40.800 0.219 0.000 1.170 41 D HN 0.181 nan 8.370 nan 0.000 0.558 42 H N 2.656 121.628 119.070 -0.164 0.000 2.547 42 H HA 0.030 4.586 4.556 0.001 0.000 0.272 42 H C 0.499 175.423 175.328 -0.673 0.000 0.989 42 H CA 0.676 56.422 56.048 -0.505 0.000 1.214 42 H CB 0.706 30.040 29.762 -0.713 0.000 1.389 42 H HN 0.385 nan 8.280 nan 0.000 0.577 43 F N -0.465 119.569 119.950 0.140 0.000 2.706 43 F HA 0.201 4.729 4.527 0.001 0.000 0.313 43 F C 0.664 176.576 175.800 0.188 0.000 1.096 43 F CA -0.298 57.805 58.000 0.172 0.000 1.219 43 F CB 0.722 39.829 39.000 0.178 0.000 1.051 43 F HN -0.051 nan 8.300 nan 0.000 0.568 44 N N -0.165 118.691 118.700 0.260 0.000 2.500 44 N HA 0.154 4.894 4.740 0.001 0.000 0.291 44 N C -0.279 175.344 175.510 0.189 0.000 1.092 44 N CA -0.358 52.854 53.050 0.270 0.000 0.890 44 N CB 0.741 39.368 38.487 0.233 0.000 1.466 44 N HN 0.013 nan 8.380 nan 0.000 0.507 45 F N 1.536 121.537 119.950 0.085 0.000 2.748 45 F HA 0.156 4.684 4.527 0.001 0.000 0.299 45 F C 1.708 177.537 175.800 0.047 0.000 1.154 45 F CA 0.573 58.610 58.000 0.061 0.000 1.446 45 F CB 0.664 39.693 39.000 0.048 0.000 1.112 45 F HN 0.513 nan 8.300 nan 0.000 0.584 46 E N -0.621 119.693 120.200 0.190 0.000 2.288 46 E HA 0.038 4.388 4.350 0.001 0.000 0.200 46 E C 2.006 178.603 176.600 -0.005 0.000 0.880 46 E CA -0.214 56.242 56.400 0.092 0.000 0.971 46 E CB -0.041 29.700 29.700 0.069 0.000 0.954 46 E HN 0.106 nan 8.360 nan 0.000 0.489 47 R N 0.203 120.662 120.500 -0.069 0.000 2.127 47 R HA -0.080 4.260 4.340 0.001 0.000 0.238 47 R C 0.257 176.173 176.300 -0.640 0.000 1.134 47 R CA 1.229 57.118 56.100 -0.351 0.000 0.975 47 R CB 0.111 30.161 30.300 -0.417 0.000 0.865 47 R HN 0.077 nan 8.270 nan 0.000 0.447 48 F N -0.501 119.493 119.950 0.073 0.000 2.841 48 F HA 0.335 4.862 4.527 0.001 0.000 0.358 48 F C 1.342 177.160 175.800 0.029 0.000 1.261 48 F CA -0.033 58.007 58.000 0.068 0.000 1.233 48 F CB 0.669 39.720 39.000 0.086 0.000 1.008 48 F HN 0.123 nan 8.300 nan 0.000 0.507 49 G N 2.589 111.456 108.800 0.112 0.000 2.850 49 G HA2 -0.501 3.459 3.960 0.001 0.000 0.353 49 G HA3 -0.501 3.459 3.960 0.001 0.000 0.353 49 G C 1.415 176.350 174.900 0.059 0.000 0.983 49 G CA 1.788 46.938 45.100 0.082 0.000 0.832 49 G HN 0.503 nan 8.290 nan 0.000 0.889 50 N N 0.687 119.417 118.700 0.049 0.000 2.184 50 N HA 0.114 4.855 4.740 0.001 0.000 0.206 50 N C 0.498 176.006 175.510 -0.002 0.000 1.151 50 N CA 0.366 53.423 53.050 0.011 0.000 0.878 50 N CB 0.200 38.698 38.487 0.018 0.000 1.014 50 N HN 0.621 nan 8.380 nan 0.000 0.512 51 K N 0.901 121.323 120.400 0.038 0.000 2.440 51 K HA 0.122 4.442 4.320 0.001 0.000 0.270 51 K C 0.437 177.026 176.600 -0.019 0.000 0.980 51 K CA 0.523 56.829 56.287 0.032 0.000 0.953 51 K CB 0.398 32.959 32.500 0.102 0.000 0.925 51 K HN 0.374 nan 8.250 nan 0.000 0.497 52 T N -1.253 113.281 114.554 -0.033 0.000 2.887 52 T HA 0.709 5.060 4.350 0.001 0.000 0.292 52 T C -0.724 173.985 174.700 0.016 0.000 1.087 52 T CA -1.021 61.038 62.100 -0.069 0.000 1.009 52 T CB 0.892 69.651 68.868 -0.181 0.000 1.203 52 T HN 0.530 nan 8.240 nan 0.000 0.518 53 F N -1.619 118.217 119.950 -0.189 0.000 2.613 53 F HA 0.841 5.368 4.527 0.001 0.000 0.314 53 F C -3.319 172.434 175.800 -0.078 0.000 1.075 53 F CA -3.109 54.793 58.000 -0.162 0.000 0.945 53 F CB 1.125 39.980 39.000 -0.241 0.000 1.310 53 F HN 0.339 nan 8.300 nan 0.000 0.467 54 P HA 0.144 nan 4.420 nan 0.000 0.281 54 P C -1.496 175.871 177.300 0.112 0.000 1.286 54 P CA -0.080 63.013 63.100 -0.011 0.000 0.772 54 P CB 1.239 32.952 31.700 0.022 0.000 0.862 55 Q N 3.808 123.577 119.800 -0.052 0.000 2.331 55 Q HA 0.233 4.573 4.340 0.001 0.000 0.257 55 Q C -0.122 176.029 176.000 0.252 0.000 0.957 55 Q CA -0.876 55.005 55.803 0.130 0.000 0.923 55 Q CB 0.756 29.494 28.738 -0.001 0.000 1.212 55 Q HN 0.285 nan 8.270 nan 0.000 0.443 56 R N 4.160 124.717 120.500 0.095 0.000 2.537 56 R HA 0.211 4.551 4.340 0.001 0.000 0.280 56 R C -1.060 175.220 176.300 -0.035 0.000 1.058 56 R CA 0.264 56.139 56.100 -0.375 0.000 1.057 56 R CB 0.268 30.303 30.300 -0.441 0.000 0.973 56 R HN 0.552 nan 8.270 nan 0.000 0.438 57 F N 2.222 121.965 119.950 -0.345 0.000 2.626 57 F HA 0.555 5.082 4.527 0.001 0.000 0.311 57 F C -1.748 173.845 175.800 -0.344 0.000 1.088 57 F CA -1.470 56.361 58.000 -0.282 0.000 0.949 57 F CB 1.292 40.178 39.000 -0.189 0.000 1.322 57 F HN 0.138 nan 8.300 nan 0.000 0.461 58 L N 3.333 124.368 121.223 -0.313 0.000 2.322 58 L HA 0.825 5.165 4.340 0.001 0.000 0.281 58 L C -0.853 175.956 176.870 -0.102 0.000 1.014 58 L CA -1.284 53.282 54.840 -0.456 0.000 0.815 58 L CB 1.667 43.136 42.059 -0.984 0.000 1.247 58 L HN 0.717 nan 8.230 nan 0.000 0.421 59 V N 1.924 121.846 119.914 0.013 0.000 2.876 59 V HA 0.724 4.845 4.120 0.001 0.000 0.312 59 V C -0.905 175.303 176.094 0.190 0.000 1.085 59 V CA -0.089 62.305 62.300 0.157 0.000 0.945 59 V CB 2.452 34.349 31.823 0.124 0.000 1.017 59 V HN 0.797 nan 8.190 nan 0.000 0.428 60 S N 2.880 118.655 115.700 0.125 0.000 2.706 60 S HA 0.377 4.847 4.470 0.001 0.000 0.270 60 S C -0.329 174.238 174.600 -0.055 0.000 1.163 60 S CA -0.114 58.055 58.200 -0.051 0.000 1.042 60 S CB 1.187 64.203 63.200 -0.308 0.000 1.079 60 S HN 1.004 nan 8.310 nan 0.000 0.474 61 D N 3.757 124.138 120.400 -0.031 0.000 2.339 61 D HA 0.140 4.780 4.640 0.001 0.000 0.217 61 D C 1.932 178.203 176.300 -0.048 0.000 1.050 61 D CA 0.404 54.460 54.000 0.094 0.000 0.856 61 D CB -0.314 40.636 40.800 0.251 0.000 0.922 61 D HN 0.547 nan 8.370 nan 0.000 0.518 62 R N 1.049 121.359 120.500 -0.317 0.000 2.178 62 R HA -0.201 4.140 4.340 0.001 0.000 0.257 62 R C 1.620 177.532 176.300 -0.646 0.000 1.163 62 R CA 2.116 57.839 56.100 -0.629 0.000 0.981 62 R CB -1.983 27.668 30.300 -1.083 0.000 0.878 62 R HN 0.454 nan 8.270 nan 0.000 0.454 63 F N -3.710 116.233 119.950 -0.012 0.000 2.682 63 F HA 0.318 4.845 4.527 0.001 0.000 0.308 63 F C 0.449 176.282 175.800 0.055 0.000 1.093 63 F CA -1.730 56.261 58.000 -0.016 0.000 1.244 63 F CB 0.076 39.033 39.000 -0.071 0.000 1.052 63 F HN 0.287 nan 8.300 nan 0.000 0.573 64 W N 2.650 123.942 121.300 -0.013 0.000 2.358 64 W HA 0.497 5.157 4.660 0.001 0.000 0.307 64 W C -0.429 176.072 176.519 -0.030 0.000 1.203 64 W CA -1.422 55.906 57.345 -0.028 0.000 1.279 64 W CB 0.713 30.151 29.460 -0.036 0.000 1.264 64 W HN -0.287 nan 8.180 nan 0.000 0.474 65 V N 8.837 128.599 119.914 -0.254 0.000 2.359 65 V HA 0.035 4.156 4.120 0.001 0.000 0.248 65 V C 1.886 177.370 176.094 -1.017 0.000 1.091 65 V CA 0.913 62.950 62.300 -0.439 0.000 1.103 65 V CB -0.785 30.911 31.823 -0.212 0.000 1.176 65 V HN 0.682 nan 8.190 nan 0.000 0.488 66 R N 3.262 123.036 120.500 -1.210 0.000 2.438 66 R HA -0.055 4.285 4.340 0.001 0.000 0.227 66 R C 1.621 177.322 176.300 -0.999 0.000 1.153 66 R CA 1.434 56.476 56.100 -1.762 0.000 1.059 66 R CB -0.929 28.817 30.300 -0.924 0.000 0.831 66 R HN 0.917 nan 8.270 nan 0.000 0.487 67 G N -4.050 104.403 108.800 -0.578 0.000 3.581 67 G HA2 0.380 4.340 3.960 0.001 0.000 0.248 67 G HA3 0.380 4.340 3.960 0.001 0.000 0.248 67 G C 0.895 175.725 174.900 -0.117 0.000 1.037 67 G CA 1.106 46.060 45.100 -0.243 0.000 0.902 67 G HN 0.677 nan 8.290 nan 0.000 0.512 68 E N -0.118 120.001 120.200 -0.135 0.000 2.603 68 E HA 0.474 4.824 4.350 0.001 0.000 0.218 68 E C 1.061 177.691 176.600 0.050 0.000 0.878 68 E CA 0.346 56.729 56.400 -0.029 0.000 1.348 68 E CB 0.209 29.879 29.700 -0.050 0.000 1.318 68 E HN 0.545 nan 8.360 nan 0.000 0.673 69 G N 2.403 111.259 108.800 0.093 0.000 2.420 69 G HA2 0.549 4.510 3.960 0.001 0.000 0.284 69 G HA3 0.549 4.510 3.960 0.001 0.000 0.284 69 G C -2.317 172.801 174.900 0.364 0.000 1.177 69 G CA -0.763 44.485 45.100 0.245 0.000 0.841 69 G HN 0.141 nan 8.290 nan 0.000 0.527 70 P HA 0.288 nan 4.420 nan 0.000 0.275 70 P C -0.352 176.979 177.300 0.051 0.000 1.266 70 P CA -0.372 62.829 63.100 0.169 0.000 0.793 70 P CB 1.308 33.151 31.700 0.239 0.000 1.074 71 I N 0.040 120.665 120.570 0.091 0.000 2.377 71 I HA 0.272 4.442 4.170 0.001 0.000 0.293 71 I C -0.187 176.157 176.117 0.379 0.000 0.987 71 I CA -0.618 60.699 61.300 0.027 0.000 1.185 71 I CB 0.572 38.539 38.000 -0.053 0.000 1.341 71 I HN 0.061 nan 8.210 nan 0.000 0.455 72 F N 6.462 126.422 119.950 0.017 0.000 2.361 72 F HA 0.355 4.883 4.527 0.001 0.000 0.364 72 F C -0.389 175.425 175.800 0.023 0.000 1.117 72 F CA -1.243 56.801 58.000 0.074 0.000 1.071 72 F CB 0.905 39.806 39.000 -0.164 0.000 1.188 72 F HN 0.214 nan 8.300 nan 0.000 0.464 73 F N 5.253 125.251 119.950 0.080 0.000 2.382 73 F HA 0.340 4.868 4.527 0.001 0.000 0.361 73 F C -1.004 174.615 175.800 -0.301 0.000 1.109 73 F CA -1.046 56.859 58.000 -0.159 0.000 1.031 73 F CB 0.574 39.450 39.000 -0.207 0.000 1.234 73 F HN 0.390 nan 8.300 nan 0.000 0.445 74 Y N 5.400 125.172 120.300 -0.880 0.000 2.436 74 Y HA 0.196 4.746 4.550 0.001 0.000 0.343 74 Y C 0.693 176.020 175.900 -0.955 0.000 1.008 74 Y CA -0.515 57.011 58.100 -0.957 0.000 1.241 74 Y CB 0.744 38.180 38.460 -1.706 0.000 1.153 74 Y HN 0.638 nan 8.280 nan 0.000 0.521 75 T N 3.483 117.499 114.554 -0.897 0.000 2.978 75 T HA 0.322 4.673 4.350 0.001 0.000 0.278 75 T C 0.747 175.056 174.700 -0.651 0.000 0.945 75 T CA -0.427 61.045 62.100 -1.046 0.000 1.070 75 T CB -0.305 68.051 68.868 -0.854 0.000 0.948 75 T HN 0.889 nan 8.240 nan 0.000 0.617 76 G N 3.899 112.551 108.800 -0.248 0.000 2.484 76 G HA2 0.310 4.271 3.960 0.001 0.000 0.235 76 G HA3 0.310 4.271 3.960 0.001 0.000 0.235 76 G C 0.372 175.311 174.900 0.065 0.000 1.282 76 G CA -0.725 44.423 45.100 0.081 0.000 0.857 76 G HN 0.865 nan 8.290 nan 0.000 0.571 77 N N 0.138 118.682 118.700 -0.260 0.000 3.223 77 N HA 0.126 4.866 4.740 0.001 0.000 0.350 77 N C 0.561 175.957 175.510 -0.190 0.000 1.425 77 N CA -0.595 52.319 53.050 -0.227 0.000 0.668 77 N CB 0.268 38.504 38.487 -0.418 0.000 1.435 77 N HN 0.507 nan 8.380 nan 0.000 0.569 78 E N 0.459 120.469 120.200 -0.316 0.000 2.888 78 E HA 0.268 4.618 4.350 0.001 0.000 0.271 78 E C 0.001 176.388 176.600 -0.355 0.000 1.527 78 E CA -0.285 55.579 56.400 -0.893 0.000 1.700 78 E CB -0.984 28.338 29.700 -0.631 0.000 1.410 78 E HN 0.629 nan 8.360 nan 0.000 0.445 79 G N 0.256 109.026 108.800 -0.049 0.000 2.428 79 G HA2 0.027 3.987 3.960 0.001 0.000 0.304 79 G HA3 0.027 3.987 3.960 0.001 0.000 0.304 79 G C -1.603 173.386 174.900 0.148 0.000 1.303 79 G CA -0.802 44.385 45.100 0.146 0.000 0.825 79 G HN 0.119 nan 8.290 nan 0.000 0.484 80 D N 0.225 120.636 120.400 0.017 0.000 2.472 80 D HA 0.032 4.673 4.640 0.001 0.000 0.248 80 D C 1.600 177.801 176.300 -0.165 0.000 1.174 80 D CA 0.162 54.175 54.000 0.021 0.000 0.883 80 D CB 1.691 42.514 40.800 0.039 0.000 1.149 80 D HN 0.193 nan 8.370 nan 0.000 0.488 81 V N 5.404 125.308 119.914 -0.017 0.000 2.720 81 V HA -0.199 3.921 4.120 0.001 0.000 0.256 81 V C 1.445 177.351 176.094 -0.313 0.000 1.082 81 V CA 1.346 63.613 62.300 -0.054 0.000 1.101 81 V CB -0.482 31.307 31.823 -0.055 0.000 0.693 81 V HN 0.639 nan 8.190 nan 0.000 0.479 82 W N -0.222 120.932 121.300 -0.244 0.000 2.425 82 W HA 0.005 4.665 4.660 0.001 0.000 0.277 82 W C 2.496 178.812 176.519 -0.338 0.000 1.231 82 W CA 1.141 58.308 57.345 -0.295 0.000 1.248 82 W CB -0.371 28.969 29.460 -0.199 0.000 1.117 82 W HN 0.287 nan 8.180 nan 0.000 0.568 83 A N -0.213 122.484 122.820 -0.205 0.000 1.933 83 A HA -0.171 4.149 4.320 0.001 0.000 0.218 83 A C 1.600 178.949 177.584 -0.392 0.000 1.175 83 A CA 1.447 53.303 52.037 -0.301 0.000 0.628 83 A CB -1.076 17.722 19.000 -0.337 0.000 0.814 83 A HN 0.276 nan 8.150 nan 0.000 0.444 84 F N -0.032 119.824 119.950 -0.157 0.000 2.293 84 F HA 0.154 4.681 4.527 0.001 0.000 0.297 84 F C 2.708 178.227 175.800 -0.468 0.000 1.089 84 F CA 0.203 57.998 58.000 -0.343 0.000 1.377 84 F CB -0.979 37.696 39.000 -0.541 0.000 1.051 84 F HN 0.231 nan 8.300 nan 0.000 0.511 85 A N 0.732 123.216 122.820 -0.560 0.000 1.902 85 A HA -0.183 4.138 4.320 0.001 0.000 0.217 85 A C 2.102 179.418 177.584 -0.446 0.000 1.181 85 A CA 1.907 53.273 52.037 -1.119 0.000 0.623 85 A CB -0.818 17.313 19.000 -1.449 0.000 0.818 85 A HN 0.315 nan 8.150 nan 0.000 0.443 86 N N 0.606 119.166 118.700 -0.234 0.000 2.188 86 N HA -0.086 4.654 4.740 0.001 0.000 0.184 86 N C 1.088 176.501 175.510 -0.162 0.000 1.018 86 N CA 1.284 54.262 53.050 -0.120 0.000 0.858 86 N CB -0.392 38.050 38.487 -0.075 0.000 0.989 86 N HN 0.530 nan 8.380 nan 0.000 0.426 87 N N -0.455 118.083 118.700 -0.269 0.000 2.254 87 N HA 0.101 4.841 4.740 0.001 0.000 0.190 87 N C -0.380 175.030 175.510 -0.166 0.000 1.107 87 N CA 0.169 53.015 53.050 -0.340 0.000 0.869 87 N CB 0.523 38.475 38.487 -0.893 0.000 0.983 87 N HN -0.039 nan 8.380 nan 0.000 0.487 88 S N 0.749 116.408 115.700 -0.069 0.000 2.438 88 S HA 0.319 4.790 4.470 0.001 0.000 0.227 88 S C 1.291 175.972 174.600 0.135 0.000 1.265 88 S CA -0.475 57.780 58.200 0.091 0.000 1.265 88 S CB 0.799 64.111 63.200 0.187 0.000 0.987 88 S HN 0.272 nan 8.310 nan 0.000 0.502 89 A N 0.987 123.860 122.820 0.088 0.000 2.076 89 A HA -0.115 4.205 4.320 0.001 0.000 0.220 89 A C 1.570 179.231 177.584 0.129 0.000 1.160 89 A CA 1.211 53.300 52.037 0.085 0.000 0.653 89 A CB -0.659 nan 19.000 nan 0.000 0.801 89 A HN 0.647 nan 8.150 nan 0.000 0.455 90 F N 0.665 120.630 119.950 0.025 0.000 2.293 90 F HA -0.103 4.425 4.527 0.001 0.000 0.300 90 F C 1.969 177.758 175.800 -0.017 0.000 1.086 90 F CA 1.503 59.511 58.000 0.013 0.000 1.375 90 F CB -0.229 38.795 39.000 0.040 0.000 1.045 90 F HN 0.040 nan 8.300 nan 0.000 0.516 91 V N 0.567 120.364 119.914 -0.196 0.000 2.323 91 V HA -0.207 3.914 4.120 0.001 0.000 0.244 91 V C 2.839 178.818 176.094 -0.191 0.000 1.041 91 V CA 1.607 63.641 62.300 -0.442 0.000 1.025 91 V CB -1.742 29.854 31.823 -0.378 0.000 0.656 91 V HN 0.405 nan 8.190 nan 0.000 0.451 92 A N 0.075 122.875 122.820 -0.033 0.000 1.892 92 A HA -0.285 4.036 4.320 0.001 0.000 0.218 92 A C 2.183 179.579 177.584 -0.314 0.000 1.188 92 A CA 2.177 54.163 52.037 -0.085 0.000 0.631 92 A CB -0.551 18.445 19.000 -0.006 0.000 0.822 92 A HN 0.650 nan 8.150 nan 0.000 0.447 93 E N -0.992 119.072 120.200 -0.228 0.000 2.110 93 E HA -0.167 4.183 4.350 0.001 0.000 0.193 93 E C 1.902 178.344 176.600 -0.264 0.000 0.988 93 E CA 1.167 57.429 56.400 -0.231 0.000 0.804 93 E CB -0.226 29.442 29.700 -0.052 0.000 0.745 93 E HN 0.501 nan 8.360 nan 0.000 0.458 94 L N 0.740 121.780 121.223 -0.305 0.000 2.156 94 L HA 0.005 4.346 4.340 0.001 0.000 0.208 94 L C 2.140 178.951 176.870 -0.098 0.000 1.095 94 L CA 1.416 56.142 54.840 -0.189 0.000 0.770 94 L CB -0.378 41.480 42.059 -0.335 0.000 0.914 94 L HN 0.001 nan 8.230 nan 0.000 0.439 95 A N -0.462 122.223 122.820 -0.225 0.000 1.933 95 A HA -0.084 4.237 4.320 0.001 0.000 0.218 95 A C 2.450 179.752 177.584 -0.470 0.000 1.175 95 A CA 1.610 53.362 52.037 -0.475 0.000 0.628 95 A CB -1.020 17.791 19.000 -0.315 0.000 0.814 95 A HN 0.519 nan 8.150 nan 0.000 0.444 96 A N -0.699 121.662 122.820 -0.765 0.000 1.877 96 A HA 0.064 4.384 4.320 0.001 0.000 0.216 96 A C 2.174 179.578 177.584 -0.300 0.000 1.186 96 A CA 2.371 53.923 52.037 -0.808 0.000 0.620 96 A CB -1.064 17.331 19.000 -1.008 0.000 0.822 96 A HN 0.738 nan 8.150 nan 0.000 0.443 97 E N -0.390 119.672 120.200 -0.230 0.000 2.150 97 E HA -0.134 4.217 4.350 0.001 0.000 0.193 97 E C 2.036 178.593 176.600 -0.072 0.000 0.985 97 E CA 1.335 57.669 56.400 -0.109 0.000 0.814 97 E CB -0.438 29.222 29.700 -0.066 0.000 0.752 97 E HN 0.492 nan 8.360 nan 0.000 0.466 98 R N -1.641 118.799 120.500 -0.099 0.000 2.334 98 R HA 0.227 4.568 4.340 0.001 0.000 0.212 98 R C 1.461 177.721 176.300 -0.066 0.000 0.897 98 R CA 0.664 56.729 56.100 -0.058 0.000 1.056 98 R CB 0.774 31.073 30.300 -0.002 0.000 1.046 98 R HN 0.627 nan 8.270 nan 0.000 0.513 99 G N 0.907 109.666 108.800 -0.069 0.000 2.136 99 G HA2 -0.284 3.676 3.960 0.001 0.000 0.242 99 G HA3 -0.284 3.676 3.960 0.001 0.000 0.242 99 G C 0.179 175.119 174.900 0.066 0.000 0.989 99 G CA 0.275 45.384 45.100 0.016 0.000 0.682 99 G HN 0.521 nan 8.290 nan 0.000 0.522 100 A N -0.446 122.267 122.820 -0.179 0.000 2.316 100 A HA 0.800 5.120 4.320 0.001 0.000 0.284 100 A C 0.377 177.851 177.584 -0.184 0.000 1.115 100 A CA -0.048 51.758 52.037 -0.385 0.000 0.812 100 A CB 1.007 19.097 19.000 -1.517 0.000 1.064 100 A HN 1.621 nan 8.150 nan 0.000 0.489 101 L N 1.707 122.736 121.223 -0.322 0.000 2.395 101 L HA 0.583 4.923 4.340 0.001 0.000 0.269 101 L C -0.738 176.026 176.870 -0.176 0.000 1.133 101 L CA -0.211 54.395 54.840 -0.390 0.000 0.812 101 L CB 1.008 42.416 42.059 -1.086 0.000 1.125 101 L HN 0.528 nan 8.230 nan 0.000 0.452 102 L N 5.630 126.845 121.223 -0.013 0.000 2.366 102 L HA 0.497 4.837 4.340 0.001 0.000 0.266 102 L C -1.110 175.914 176.870 0.256 0.000 1.010 102 L CA -0.085 54.869 54.840 0.189 0.000 0.879 102 L CB 1.268 43.510 42.059 0.305 0.000 1.228 102 L HN 0.411 nan 8.230 nan 0.000 0.439 103 V N 5.054 125.029 119.914 0.103 0.000 2.384 103 V HA 0.420 4.541 4.120 0.001 0.000 0.287 103 V C -0.366 175.557 176.094 -0.286 0.000 1.020 103 V CA -0.411 61.872 62.300 -0.027 0.000 0.850 103 V CB 1.300 33.047 31.823 -0.126 0.000 0.987 103 V HN 0.406 nan 8.190 nan 0.000 0.436 104 F N 3.494 123.199 119.950 -0.408 0.000 2.332 104 F HA 0.672 5.200 4.527 0.001 0.000 0.368 104 F C 0.683 176.220 175.800 -0.438 0.000 1.110 104 F CA -0.463 57.239 58.000 -0.496 0.000 1.087 104 F CB 1.367 39.973 39.000 -0.657 0.000 1.235 104 F HN 0.560 nan 8.300 nan 0.000 0.470 105 A N 3.810 126.339 122.820 -0.486 0.000 2.274 105 A HA 0.362 4.683 4.320 0.001 0.000 0.309 105 A C -0.148 177.504 177.584 0.114 0.000 1.226 105 A CA -0.566 51.354 52.037 -0.194 0.000 0.853 105 A CB 0.481 19.309 19.000 -0.286 0.000 1.146 105 A HN 0.762 nan 8.150 nan 0.000 0.518 106 E N 1.614 121.948 120.200 0.224 0.000 2.354 106 E HA 0.074 4.424 4.350 0.001 0.000 0.269 106 E C -0.321 176.599 176.600 0.532 0.000 1.036 106 E CA -0.378 56.229 56.400 0.345 0.000 0.876 106 E CB 0.405 30.258 29.700 0.255 0.000 1.009 106 E HN 0.743 nan 8.360 nan 0.000 0.416 107 H N 4.600 123.976 119.070 0.511 0.000 2.690 107 H HA 0.091 4.647 4.556 0.001 0.000 0.314 107 H C -0.199 175.477 175.328 0.581 0.000 1.069 107 H CA -0.439 55.942 56.048 0.556 0.000 1.436 107 H CB 0.436 30.534 29.762 0.560 0.000 1.462 107 H HN 0.574 nan 8.280 nan 0.000 0.511 108 R N 3.541 124.374 120.500 0.555 0.000 2.619 108 R HA -0.128 4.213 4.340 0.001 0.000 0.268 108 R C -0.402 176.297 176.300 0.665 0.000 0.990 108 R CA 0.342 56.751 56.100 0.515 0.000 1.092 108 R CB -0.046 30.458 30.300 0.341 0.000 0.935 108 R HN 0.845 nan 8.270 nan 0.000 0.415 109 Y N -1.822 118.531 120.300 0.088 0.000 4.929 109 Y HA -0.319 4.232 4.550 0.001 0.000 0.253 109 Y C -0.631 175.123 175.900 -0.244 0.000 0.946 109 Y CA 1.585 59.605 58.100 -0.134 0.000 1.905 109 Y CB -1.941 36.361 38.460 -0.264 0.000 1.400 109 Y HN 0.664 nan 8.280 nan 0.000 0.531 110 Y N -0.243 120.281 120.300 0.373 0.000 2.487 110 Y HA 0.566 5.116 4.550 0.001 0.000 0.337 110 Y C 1.400 177.457 175.900 0.260 0.000 1.076 110 Y CA -0.240 58.045 58.100 0.309 0.000 1.115 110 Y CB 1.280 39.941 38.460 0.335 0.000 1.235 110 Y HN 0.123 nan 8.280 nan 0.000 0.468 111 G N 1.058 110.083 108.800 0.375 0.000 2.698 111 G HA2 -0.381 3.579 3.960 0.001 0.000 0.337 111 G HA3 -0.381 3.579 3.960 0.001 0.000 0.337 111 G C 0.852 175.895 174.900 0.239 0.000 1.196 111 G CA 1.095 46.359 45.100 0.274 0.000 0.965 111 G HN 0.464 nan 8.290 nan 0.000 0.550 112 K N 0.324 120.879 120.400 0.258 0.000 2.374 112 K HA 0.540 4.861 4.320 0.001 0.000 0.202 112 K C 0.932 177.727 176.600 0.324 0.000 1.040 112 K CA 0.830 57.284 56.287 0.277 0.000 1.085 112 K CB 1.189 33.891 32.500 0.337 0.000 0.873 112 K HN 0.608 nan 8.250 nan 0.000 0.539 113 S N 2.172 118.064 115.700 0.321 0.000 3.489 113 S HA 0.407 4.877 4.470 0.001 0.000 0.227 113 S C -0.272 174.470 174.600 0.236 0.000 1.360 113 S CA -0.402 58.039 58.200 0.401 0.000 0.934 113 S CB -0.426 63.047 63.200 0.455 0.000 1.410 113 S HN 0.272 nan 8.310 nan 0.000 0.483 114 L N 2.741 124.021 121.223 0.095 0.000 2.316 114 L HA 0.366 4.707 4.340 0.001 0.000 0.280 114 L C -2.000 174.584 176.870 -0.477 0.000 1.006 114 L CA -2.329 52.361 54.840 -0.250 0.000 0.836 114 L CB 1.669 43.658 42.059 -0.116 0.000 1.221 114 L HN 0.159 nan 8.230 nan 0.000 0.418 115 P HA -0.105 nan 4.420 nan 0.000 0.218 115 P C 0.369 177.000 177.300 -1.114 0.000 1.148 115 P CA 1.430 63.642 63.100 -1.480 0.000 0.822 115 P CB 0.139 30.674 31.700 -1.941 0.000 0.784 116 F N -1.800 117.909 119.950 -0.401 0.000 2.850 116 F HA 0.470 4.998 4.527 0.001 0.000 0.329 116 F C 1.582 177.280 175.800 -0.171 0.000 1.182 116 F CA -0.104 57.765 58.000 -0.219 0.000 1.270 116 F CB -0.201 38.705 39.000 -0.157 0.000 0.979 116 F HN -0.066 nan 8.300 nan 0.000 0.506 117 G N 1.526 110.301 108.800 -0.042 0.000 2.564 117 G HA2 -0.248 3.713 3.960 0.001 0.000 0.273 117 G HA3 -0.248 3.713 3.960 0.001 0.000 0.273 117 G C 1.326 176.214 174.900 -0.020 0.000 1.242 117 G CA 0.288 45.377 45.100 -0.018 0.000 0.951 117 G HN 0.588 nan 8.290 nan 0.000 0.564 118 A N -1.678 121.136 122.820 -0.010 0.000 1.948 118 A HA 0.177 4.497 4.320 0.001 0.000 0.220 118 A C 2.824 180.394 177.584 -0.023 0.000 1.177 118 A CA 3.680 55.716 52.037 -0.002 0.000 0.636 118 A CB -1.126 17.875 19.000 0.003 0.000 0.815 118 A HN 2.271 nan 8.150 nan 0.000 0.449 119 Q N -0.755 118.987 119.800 -0.097 0.000 2.482 119 Q HA 0.132 4.473 4.340 0.001 0.000 0.209 119 Q C 2.007 177.910 176.000 -0.160 0.000 0.961 119 Q CA 1.301 56.969 55.803 -0.225 0.000 0.945 119 Q CB -1.137 27.284 28.738 -0.528 0.000 1.012 119 Q HN 0.695 nan 8.270 nan 0.000 0.515 120 S N 1.128 116.828 115.700 0.000 0.000 2.380 120 S HA -0.149 4.322 4.470 0.001 0.000 0.229 120 S C 2.047 176.833 174.600 0.309 0.000 1.043 120 S CA 1.958 60.252 58.200 0.157 0.000 1.038 120 S CB -0.312 62.821 63.200 -0.112 0.000 0.872 120 S HN 0.965 nan 8.310 nan 0.000 0.456 121 T N -0.246 114.441 114.554 0.222 0.000 3.244 121 T HA 0.244 4.594 4.350 0.001 0.000 0.254 121 T C 0.154 175.075 174.700 0.368 0.000 1.024 121 T CA -0.351 61.910 62.100 0.269 0.000 0.920 121 T CB 0.042 69.040 68.868 0.216 0.000 1.042 121 T HN 0.012 nan 8.240 nan 0.000 0.572 122 Q N 1.555 121.551 119.800 0.325 0.000 2.257 122 Q HA 0.377 4.718 4.340 0.001 0.000 0.262 122 Q C -0.140 176.119 176.000 0.432 0.000 0.997 122 Q CA -0.753 55.240 55.803 0.317 0.000 0.873 122 Q CB 1.838 30.692 28.738 0.192 0.000 1.312 122 Q HN 0.428 nan 8.270 nan 0.000 0.450 123 R N -0.046 120.601 120.500 0.245 0.000 2.502 123 R HA 0.143 4.483 4.340 0.001 0.000 0.292 123 R C 0.579 176.958 176.300 0.131 0.000 0.998 123 R CA 1.562 57.782 56.100 0.201 0.000 1.056 123 R CB -0.292 29.978 30.300 -0.049 0.000 0.939 123 R HN 0.926 nan 8.270 nan 0.000 0.411 124 G N 3.509 112.346 108.800 0.062 0.000 2.176 124 G HA2 -0.208 3.753 3.960 0.001 0.000 0.232 124 G HA3 -0.208 3.753 3.960 0.001 0.000 0.232 124 G C 0.302 174.887 174.900 -0.525 0.000 0.986 124 G CA 0.144 45.120 45.100 -0.207 0.000 0.643 124 G HN 0.810 nan 8.290 nan 0.000 0.522 125 H N -0.321 118.747 119.070 -0.005 0.000 3.233 125 H HA 0.132 4.688 4.556 0.001 0.000 0.263 125 H C 2.188 177.594 175.328 0.129 0.000 1.168 125 H CA 0.999 57.004 56.048 -0.073 0.000 1.159 125 H CB 0.511 30.243 29.762 -0.050 0.000 1.593 125 H HN 0.511 nan 8.280 nan 0.000 0.580 126 T N -0.852 113.700 114.554 -0.003 0.000 3.081 126 T HA -0.092 4.258 4.350 0.001 0.000 0.255 126 T C 1.686 176.102 174.700 -0.474 0.000 1.113 126 T CA 0.522 62.324 62.100 -0.496 0.000 1.082 126 T CB 0.055 68.119 68.868 -1.341 0.000 0.939 126 T HN 0.534 nan 8.240 nan 0.000 0.506 127 E N 1.835 121.997 120.200 -0.063 0.000 2.284 127 E HA -0.164 4.187 4.350 0.001 0.000 0.200 127 E C 1.555 178.249 176.600 0.156 0.000 1.008 127 E CA 1.046 57.505 56.400 0.098 0.000 0.829 127 E CB -0.700 29.110 29.700 0.184 0.000 0.744 127 E HN 0.546 nan 8.360 nan 0.000 0.491 128 L N 0.780 122.119 121.223 0.193 0.000 2.628 128 L HA 0.223 4.563 4.340 0.001 0.000 0.229 128 L C 0.422 177.397 176.870 0.175 0.000 1.137 128 L CA -0.587 54.384 54.840 0.219 0.000 0.909 128 L CB 0.317 42.474 42.059 0.163 0.000 1.137 128 L HN 0.153 nan 8.230 nan 0.000 0.470 129 L N 1.987 123.111 121.223 -0.166 0.000 2.302 129 L HA 0.391 4.731 4.340 0.001 0.000 0.285 129 L C 0.172 177.116 176.870 0.123 0.000 1.090 129 L CA 0.393 55.072 54.840 -0.270 0.000 0.866 129 L CB 0.188 41.637 42.059 -1.017 0.000 1.244 129 L HN 0.146 nan 8.230 nan 0.000 0.435 130 T N 0.341 115.042 114.554 0.244 0.000 2.843 130 T HA 0.391 4.741 4.350 0.001 0.000 0.302 130 T C 0.934 175.857 174.700 0.371 0.000 1.232 130 T CA -0.326 61.943 62.100 0.282 0.000 1.009 130 T CB 0.920 69.931 68.868 0.238 0.000 1.254 130 T HN 0.002 nan 8.240 nan 0.000 0.504 131 V N 1.112 121.273 119.914 0.411 0.000 2.332 131 V HA -0.121 3.999 4.120 0.001 0.000 0.248 131 V C 2.660 178.994 176.094 0.400 0.000 1.055 131 V CA 2.276 64.849 62.300 0.455 0.000 1.038 131 V CB -1.079 30.990 31.823 0.410 0.000 0.651 131 V HN 0.936 nan 8.190 nan 0.000 0.450 132 E N -0.244 120.219 120.200 0.438 0.000 2.077 132 E HA -0.196 4.154 4.350 0.001 0.000 0.193 132 E C 2.376 179.288 176.600 0.520 0.000 0.989 132 E CA 1.077 57.737 56.400 0.433 0.000 0.800 132 E CB -0.290 29.485 29.700 0.124 0.000 0.746 132 E HN 0.554 nan 8.360 nan 0.000 0.452 133 Q N -0.100 119.991 119.800 0.485 0.000 2.050 133 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 133 Q C 2.317 178.399 176.000 0.137 0.000 0.980 133 Q CA 1.459 57.531 55.803 0.449 0.000 0.840 133 Q CB -0.438 28.547 28.738 0.411 0.000 0.898 133 Q HN 0.325 nan 8.270 nan 0.000 0.424 134 A N 1.130 123.952 122.820 0.003 0.000 1.908 134 A HA -0.167 4.153 4.320 0.001 0.000 0.218 134 A C 2.255 179.426 177.584 -0.687 0.000 1.181 134 A CA 1.279 53.042 52.037 -0.455 0.000 0.627 134 A CB -0.777 17.854 19.000 -0.615 0.000 0.818 134 A HN 0.302 nan 8.150 nan 0.000 0.445 135 L N -1.045 120.056 121.223 -0.203 0.000 2.093 135 L HA -0.144 4.196 4.340 0.001 0.000 0.208 135 L C 3.059 179.779 176.870 -0.251 0.000 1.085 135 L CA 0.931 55.734 54.840 -0.062 0.000 0.755 135 L CB -0.505 41.737 42.059 0.305 0.000 0.904 135 L HN 0.435 nan 8.230 nan 0.000 0.435 136 A N -0.250 122.428 122.820 -0.237 0.000 1.969 136 A HA -0.208 4.112 4.320 0.001 0.000 0.218 136 A C 1.865 179.009 177.584 -0.733 0.000 1.169 136 A CA 1.713 53.403 52.037 -0.578 0.000 0.635 136 A CB -0.432 18.070 19.000 -0.829 0.000 0.810 136 A HN 0.319 nan 8.150 nan 0.000 0.445 137 D N -0.242 119.843 120.400 -0.526 0.000 2.103 137 D HA -0.166 4.475 4.640 0.001 0.000 0.190 137 D C 1.603 177.786 176.300 -0.194 0.000 0.997 137 D CA 1.395 55.267 54.000 -0.214 0.000 0.833 137 D CB -0.527 40.140 40.800 -0.221 0.000 0.961 137 D HN 0.423 nan 8.370 nan 0.000 0.447 138 F N 1.241 121.096 119.950 -0.157 0.000 2.126 138 F HA -0.075 4.453 4.527 0.001 0.000 0.299 138 F C 2.526 178.018 175.800 -0.513 0.000 1.096 138 F CA 0.636 58.505 58.000 -0.218 0.000 1.255 138 F CB -1.317 37.575 39.000 -0.179 0.000 0.997 138 F HN -0.071 nan 8.300 nan 0.000 0.479 139 A N -0.208 122.351 122.820 -0.434 0.000 1.902 139 A HA -0.185 4.135 4.320 0.001 0.000 0.217 139 A C 2.195 179.531 177.584 -0.413 0.000 1.181 139 A CA 1.755 53.422 52.037 -0.617 0.000 0.623 139 A CB -0.720 17.631 19.000 -1.082 0.000 0.818 139 A HN 0.442 nan 8.150 nan 0.000 0.443 140 E N -0.900 119.124 120.200 -0.293 0.000 2.107 140 E HA -0.113 4.238 4.350 0.001 0.000 0.191 140 E C 1.927 178.353 176.600 -0.290 0.000 0.982 140 E CA 0.813 57.127 56.400 -0.144 0.000 0.809 140 E CB -0.218 29.525 29.700 0.072 0.000 0.756 140 E HN 0.456 nan 8.360 nan 0.000 0.459 141 L N 1.308 122.275 121.223 -0.426 0.000 1.990 141 L HA -0.214 4.126 4.340 0.001 0.000 0.213 141 L C 2.128 178.648 176.870 -0.583 0.000 1.072 141 L CA 1.609 55.976 54.840 -0.788 0.000 0.755 141 L CB -0.555 41.217 42.059 -0.479 0.000 0.889 141 L HN 0.121 nan 8.230 nan 0.000 0.432 142 L N -1.010 119.936 121.223 -0.462 0.000 2.042 142 L HA -0.243 4.098 4.340 0.001 0.000 0.210 142 L C 2.802 179.479 176.870 -0.321 0.000 1.076 142 L CA 1.401 55.984 54.840 -0.429 0.000 0.749 142 L CB -0.431 41.288 42.059 -0.566 0.000 0.893 142 L HN 0.256 nan 8.230 nan 0.000 0.432 143 R N -0.625 119.700 120.500 -0.292 0.000 2.081 143 R HA -0.148 4.192 4.340 0.001 0.000 0.235 143 R C 2.354 178.566 176.300 -0.148 0.000 1.131 143 R CA 1.405 57.394 56.100 -0.185 0.000 0.960 143 R CB -0.485 29.737 30.300 -0.130 0.000 0.856 143 R HN 0.383 nan 8.270 nan 0.000 0.436 144 A N 1.272 123.968 122.820 -0.205 0.000 1.873 144 A HA -0.100 4.220 4.320 0.001 0.000 0.215 144 A C 2.226 179.720 177.584 -0.150 0.000 1.186 144 A CA 0.940 52.892 52.037 -0.142 0.000 0.616 144 A CB -0.543 18.344 19.000 -0.189 0.000 0.823 144 A HN 0.157 nan 8.150 nan 0.000 0.442 145 L N -0.861 120.204 121.223 -0.263 0.000 1.990 145 L HA -0.275 4.065 4.340 0.001 0.000 0.213 145 L C 2.955 179.765 176.870 -0.100 0.000 1.072 145 L CA 1.868 56.595 54.840 -0.189 0.000 0.755 145 L CB -0.539 41.375 42.059 -0.242 0.000 0.889 145 L HN 0.388 nan 8.230 nan 0.000 0.432 146 R N -0.517 119.921 120.500 -0.103 0.000 2.073 146 R HA -0.146 4.194 4.340 0.001 0.000 0.234 146 R C 2.461 178.766 176.300 0.007 0.000 1.134 146 R CA 1.339 57.416 56.100 -0.039 0.000 0.952 146 R CB -0.323 29.947 30.300 -0.051 0.000 0.850 146 R HN 0.362 nan 8.270 nan 0.000 0.433 147 R N 0.591 121.088 120.500 -0.005 0.000 2.082 147 R HA -0.145 4.196 4.340 0.001 0.000 0.234 147 R C 1.804 178.131 176.300 0.044 0.000 1.136 147 R CA 1.830 57.944 56.100 0.023 0.000 0.935 147 R CB -0.357 29.957 30.300 0.023 0.000 0.842 147 R HN 0.227 nan 8.270 nan 0.000 0.430 148 D N 0.123 120.550 120.400 0.045 0.000 2.218 148 D HA -0.108 4.533 4.640 0.001 0.000 0.204 148 D C 1.175 177.528 176.300 0.088 0.000 0.976 148 D CA 1.032 55.073 54.000 0.069 0.000 0.853 148 D CB 0.113 40.960 40.800 0.078 0.000 0.939 148 D HN 0.076 nan 8.370 nan 0.000 0.481 149 L N -1.010 120.274 121.223 0.101 0.000 2.693 149 L HA 0.322 4.663 4.340 0.001 0.000 0.235 149 L C 1.399 178.382 176.870 0.188 0.000 1.127 149 L CA 0.111 55.055 54.840 0.174 0.000 0.914 149 L CB -0.193 41.995 42.059 0.216 0.000 1.193 149 L HN 0.056 nan 8.230 nan 0.000 0.502 150 G N 0.488 109.361 108.800 0.122 0.000 2.283 150 G HA2 -0.272 3.688 3.960 0.001 0.000 0.280 150 G HA3 -0.272 3.688 3.960 0.001 0.000 0.280 150 G C 0.768 175.748 174.900 0.134 0.000 1.029 150 G CA 0.489 45.650 45.100 0.102 0.000 0.840 150 G HN 0.554 nan 8.290 nan 0.000 0.505 151 A N -0.888 122.031 122.820 0.166 0.000 2.684 151 A HA 0.568 4.888 4.320 0.001 0.000 0.288 151 A C 1.710 179.358 177.584 0.108 0.000 1.337 151 A CA 0.948 53.108 52.037 0.205 0.000 0.946 151 A CB 0.012 19.185 19.000 0.288 0.000 1.093 151 A HN 0.447 nan 8.150 nan 0.000 0.543 152 Q N 0.881 120.724 119.800 0.072 0.000 2.197 152 Q HA -0.209 4.131 4.340 0.001 0.000 0.207 152 Q C 0.921 176.945 176.000 0.041 0.000 0.984 152 Q CA 2.075 57.902 55.803 0.041 0.000 0.869 152 Q CB -0.147 28.613 28.738 0.036 0.000 0.906 152 Q HN 0.848 nan 8.270 nan 0.000 0.426 153 D N -1.218 119.218 120.400 0.059 0.000 2.349 153 D HA 0.170 4.810 4.640 0.001 0.000 0.214 153 D C -0.277 176.067 176.300 0.073 0.000 1.063 153 D CA 0.138 54.172 54.000 0.056 0.000 0.847 153 D CB -0.119 40.712 40.800 0.051 0.000 0.933 153 D HN 0.129 nan 8.370 nan 0.000 0.513 154 A N 1.544 124.422 122.820 0.097 0.000 2.347 154 A HA 0.476 4.797 4.320 0.001 0.000 0.287 154 A C -2.409 175.223 177.584 0.079 0.000 1.199 154 A CA -1.158 50.956 52.037 0.128 0.000 0.851 154 A CB 0.104 19.228 19.000 0.207 0.000 1.118 154 A HN -0.004 nan 8.150 nan 0.000 0.525 155 P HA 0.371 nan 4.420 nan 0.000 0.271 155 P C -0.305 177.044 177.300 0.082 0.000 1.216 155 P CA 0.124 63.266 63.100 0.069 0.000 0.776 155 P CB 1.144 32.901 31.700 0.096 0.000 0.881 156 A N 3.342 126.178 122.820 0.027 0.000 2.337 156 A HA 0.776 5.096 4.320 0.001 0.000 0.331 156 A C -0.894 176.704 177.584 0.025 0.000 1.137 156 A CA -0.553 51.508 52.037 0.040 0.000 0.807 156 A CB 0.768 19.724 19.000 -0.074 0.000 1.250 156 A HN 0.384 nan 8.150 nan 0.000 0.468 157 I N 1.069 121.691 120.570 0.086 0.000 2.499 157 I HA 0.502 4.672 4.170 0.001 0.000 0.288 157 I C 0.398 176.423 176.117 -0.152 0.000 1.048 157 I CA -0.379 60.870 61.300 -0.084 0.000 1.062 157 I CB 1.136 39.085 38.000 -0.085 0.000 1.238 157 I HN 0.761 nan 8.210 nan 0.000 0.426 158 A N 6.472 129.080 122.820 -0.354 0.000 2.310 158 A HA 0.820 5.140 4.320 0.001 0.000 0.299 158 A C -1.166 176.045 177.584 -0.622 0.000 1.147 158 A CA -0.107 51.732 52.037 -0.329 0.000 0.818 158 A CB 0.401 19.190 19.000 -0.352 0.000 1.096 158 A HN 0.499 nan 8.150 nan 0.000 0.495 159 F N 0.513 120.176 119.950 -0.477 0.000 2.556 159 F HA 0.692 5.219 4.527 0.001 0.000 0.314 159 F C 0.652 175.854 175.800 -0.996 0.000 1.106 159 F CA 0.036 57.699 58.000 -0.563 0.000 0.911 159 F CB 3.039 41.779 39.000 -0.433 0.000 1.190 159 F HN 0.868 nan 8.300 nan 0.000 0.448 160 G N 0.501 108.858 108.800 -0.740 0.000 2.667 160 G HA2 0.533 4.493 3.960 0.001 0.000 0.294 160 G HA3 0.533 4.493 3.960 0.001 0.000 0.294 160 G C -1.731 172.819 174.900 -0.583 0.000 1.467 160 G CA -0.650 43.816 45.100 -1.057 0.000 0.852 160 G HN 0.894 nan 8.290 nan 0.000 0.521 161 G N -0.478 108.008 108.800 -0.522 0.000 2.452 161 G HA2 0.714 4.675 3.960 0.001 0.000 0.324 161 G HA3 0.714 4.675 3.960 0.001 0.000 0.324 161 G C 0.277 174.987 174.900 -0.317 0.000 1.214 161 G CA 0.874 45.662 45.100 -0.520 0.000 0.947 161 G HN 1.885 nan 8.290 nan 0.000 0.478 162 S N -0.006 115.600 115.700 -0.158 0.000 3.820 162 S HA -0.360 4.110 4.470 0.001 0.000 0.628 162 S C 1.370 175.881 174.600 -0.147 0.000 2.302 162 S CA 1.222 59.375 58.200 -0.079 0.000 3.868 162 S CB -1.645 61.609 63.200 0.090 0.000 0.241 162 S HN 1.736 nan 8.310 nan 0.000 0.946 163 Y N 2.395 122.511 120.300 -0.307 0.000 2.241 163 Y HA -0.026 4.524 4.550 0.001 0.000 0.286 163 Y C 2.224 177.964 175.900 -0.267 0.000 1.166 163 Y CA 2.745 60.688 58.100 -0.262 0.000 1.203 163 Y CB -1.164 37.114 38.460 -0.303 0.000 0.977 163 Y HN 0.551 nan 8.280 nan 0.000 0.529 164 G N -0.568 107.921 108.800 -0.517 0.000 2.432 164 G HA2 -0.216 3.744 3.960 0.001 0.000 0.219 164 G HA3 -0.216 3.744 3.960 0.001 0.000 0.219 164 G C 1.919 176.436 174.900 -0.638 0.000 1.135 164 G CA 0.700 45.395 45.100 -0.676 0.000 0.767 164 G HN 0.625 nan 8.290 nan 0.000 0.550 165 G N 0.710 109.215 108.800 -0.491 0.000 2.408 165 G HA2 -0.153 3.807 3.960 0.001 0.000 0.217 165 G HA3 -0.153 3.807 3.960 0.001 0.000 0.217 165 G C 1.861 176.490 174.900 -0.452 0.000 1.150 165 G CA 0.922 45.766 45.100 -0.426 0.000 0.776 165 G HN 0.423 nan 8.290 nan 0.000 0.542 166 M N -0.002 119.320 119.600 -0.464 0.000 2.065 166 M HA -0.003 4.478 4.480 0.001 0.000 0.259 166 M C 2.570 178.234 176.300 -1.061 0.000 1.069 166 M CA 1.258 56.093 55.300 -0.775 0.000 1.110 166 M CB -0.518 31.764 32.600 -0.530 0.000 1.328 166 M HN 0.142 nan 8.290 nan 0.000 0.405 167 L N -0.739 120.068 121.223 -0.695 0.000 2.012 167 L HA -0.238 4.103 4.340 0.001 0.000 0.210 167 L C 2.610 179.268 176.870 -0.353 0.000 1.073 167 L CA 1.232 55.824 54.840 -0.413 0.000 0.748 167 L CB -0.859 41.017 42.059 -0.306 0.000 0.891 167 L HN 0.269 nan 8.230 nan 0.000 0.431 168 S N -0.153 115.267 115.700 -0.467 0.000 2.368 168 S HA -0.189 4.281 4.470 0.001 0.000 0.225 168 S C 2.201 176.568 174.600 -0.388 0.000 1.030 168 S CA 1.260 59.198 58.200 -0.436 0.000 0.999 168 S CB -0.376 62.511 63.200 -0.522 0.000 0.844 168 S HN 0.511 nan 8.310 nan 0.000 0.459 169 A N 0.895 123.452 122.820 -0.439 0.000 1.873 169 A HA -0.069 4.252 4.320 0.001 0.000 0.215 169 A C 1.926 179.404 177.584 -0.177 0.000 1.186 169 A CA 1.347 53.164 52.037 -0.366 0.000 0.616 169 A CB -0.921 17.881 19.000 -0.330 0.000 0.823 169 A HN 0.502 nan 8.150 nan 0.000 0.442 170 Y N -0.762 119.400 120.300 -0.231 0.000 2.224 170 Y HA -0.126 4.424 4.550 0.001 0.000 0.289 170 Y C 2.205 178.061 175.900 -0.074 0.000 1.146 170 Y CA 0.687 58.669 58.100 -0.196 0.000 1.182 170 Y CB -1.149 37.127 38.460 -0.307 0.000 0.983 170 Y HN 0.293 nan 8.280 nan 0.000 0.524 171 L N 0.385 121.662 121.223 0.090 0.000 2.046 171 L HA -0.183 4.158 4.340 0.001 0.000 0.208 171 L C 2.591 179.492 176.870 0.051 0.000 1.077 171 L CA 1.740 56.654 54.840 0.124 0.000 0.747 171 L CB -0.551 41.487 42.059 -0.034 0.000 0.896 171 L HN 0.023 nan 8.230 nan 0.000 0.432 172 R N -0.680 119.757 120.500 -0.104 0.000 2.075 172 R HA -0.105 4.235 4.340 0.001 0.000 0.232 172 R C 2.079 178.316 176.300 -0.105 0.000 1.126 172 R CA 1.965 57.971 56.100 -0.157 0.000 0.963 172 R CB -0.504 29.619 30.300 -0.296 0.000 0.858 172 R HN 0.395 nan 8.270 nan 0.000 0.435 173 M N 0.084 119.604 119.600 -0.132 0.000 2.099 173 M HA -0.099 4.382 4.480 0.001 0.000 0.262 173 M C 1.781 178.016 176.300 -0.108 0.000 1.067 173 M CA 1.675 56.846 55.300 -0.215 0.000 1.124 173 M CB -0.034 32.223 32.600 -0.572 0.000 1.353 173 M HN -0.069 nan 8.290 nan 0.000 0.410 174 K N -0.878 119.469 120.400 -0.089 0.000 2.262 174 K HA 0.050 4.370 4.320 0.001 0.000 0.200 174 K C -0.101 176.279 176.600 -0.367 0.000 1.049 174 K CA 0.972 57.129 56.287 -0.217 0.000 0.979 174 K CB 0.330 32.670 32.500 -0.265 0.000 0.773 174 K HN 0.360 nan 8.250 nan 0.000 0.474 175 Y N 0.828 121.178 120.300 0.082 0.000 2.473 175 Y HA 0.207 4.758 4.550 0.001 0.000 0.345 175 Y C -1.843 174.103 175.900 0.077 0.000 0.932 175 Y CA -1.829 56.359 58.100 0.147 0.000 1.124 175 Y CB 1.083 39.541 38.460 -0.004 0.000 1.162 175 Y HN -0.021 nan 8.280 nan 0.000 0.629 176 P HA -0.176 nan 4.420 nan 0.000 0.230 176 P C 1.034 178.400 177.300 0.111 0.000 1.158 176 P CA 1.529 64.677 63.100 0.081 0.000 0.769 176 P CB 0.142 31.872 31.700 0.051 0.000 0.807 177 H N -0.877 118.197 119.070 0.007 0.000 2.535 177 H HA 0.149 4.705 4.556 0.001 0.000 0.273 177 H C 1.574 176.895 175.328 -0.011 0.000 0.983 177 H CA 0.434 56.484 56.048 0.003 0.000 1.238 177 H CB -0.994 28.782 29.762 0.022 0.000 1.412 177 H HN 0.182 nan 8.280 nan 0.000 0.562 178 L N 0.827 121.817 121.223 -0.389 0.000 2.537 178 L HA 0.194 4.534 4.340 0.001 0.000 0.224 178 L C 0.522 177.235 176.870 -0.261 0.000 1.065 178 L CA 0.079 54.685 54.840 -0.389 0.000 0.860 178 L CB 0.751 42.498 42.059 -0.519 0.000 1.086 178 L HN 0.127 nan 8.230 nan 0.000 0.482 179 V N -3.273 116.517 119.914 -0.207 0.000 2.588 179 V HA 0.723 4.843 4.120 0.001 0.000 0.304 179 V C 0.572 176.553 176.094 -0.188 0.000 1.042 179 V CA -0.329 61.849 62.300 -0.205 0.000 0.877 179 V CB 1.602 33.269 31.823 -0.260 0.000 0.996 179 V HN 0.041 nan 8.190 nan 0.000 0.425 180 A N 3.540 126.258 122.820 -0.171 0.000 2.072 180 A HA 0.757 5.077 4.320 0.001 0.000 0.216 180 A C 1.238 178.569 177.584 -0.421 0.000 1.156 180 A CA 1.010 52.933 52.037 -0.189 0.000 0.701 180 A CB -0.438 18.527 19.000 -0.058 0.000 0.816 180 A HN 2.008 nan 8.150 nan 0.000 0.458 181 G N -2.948 105.550 108.800 -0.504 0.000 2.559 181 G HA2 0.644 4.604 3.960 0.001 0.000 0.291 181 G HA3 0.644 4.604 3.960 0.001 0.000 0.291 181 G C -1.464 173.002 174.900 -0.724 0.000 1.424 181 G CA 0.092 44.573 45.100 -1.032 0.000 0.786 181 G HN 1.124 nan 8.290 nan 0.000 0.485 182 A N -0.476 121.858 122.820 -0.810 0.000 2.459 182 A HA 0.690 5.010 4.320 0.001 0.000 0.296 182 A C -1.623 175.746 177.584 -0.359 0.000 1.039 182 A CA -0.563 51.151 52.037 -0.538 0.000 0.698 182 A CB 1.877 20.568 19.000 -0.515 0.000 1.261 182 A HN 1.770 nan 8.150 nan 0.000 0.405 183 L N 2.703 123.637 121.223 -0.482 0.000 2.262 183 L HA 0.761 5.102 4.340 0.001 0.000 0.288 183 L C 0.174 176.806 176.870 -0.396 0.000 1.035 183 L CA -0.217 54.408 54.840 -0.359 0.000 0.820 183 L CB 0.916 42.758 42.059 -0.361 0.000 1.204 183 L HN 0.910 nan 8.230 nan 0.000 0.424 184 A N 5.238 127.820 122.820 -0.397 0.000 2.322 184 A HA 0.828 5.148 4.320 0.001 0.000 0.327 184 A C -0.082 177.389 177.584 -0.189 0.000 1.394 184 A CA -0.112 51.696 52.037 -0.381 0.000 0.921 184 A CB 0.196 18.867 19.000 -0.548 0.000 1.153 184 A HN 0.973 nan 8.150 nan 0.000 0.523 185 A N 1.984 124.711 122.820 -0.155 0.000 2.274 185 A HA 0.628 4.948 4.320 0.001 0.000 0.309 185 A C 0.825 178.401 177.584 -0.013 0.000 1.226 185 A CA -0.050 51.962 52.037 -0.043 0.000 0.853 185 A CB -0.171 18.820 19.000 -0.014 0.000 1.146 185 A HN 1.796 nan 8.150 nan 0.000 0.518 186 S N -0.128 115.612 115.700 0.066 0.000 3.550 186 S HA -0.170 4.301 4.470 0.001 0.000 0.372 186 S C 0.375 175.028 174.600 0.088 0.000 0.966 186 S CA 0.757 59.013 58.200 0.093 0.000 1.229 186 S CB -1.557 61.616 63.200 -0.045 0.000 0.917 186 S HN 1.967 nan 8.310 nan 0.000 0.496 187 A N 1.926 124.809 122.820 0.105 0.000 2.341 187 A HA 0.597 4.917 4.320 0.001 0.000 0.326 187 A C -1.730 175.928 177.584 0.123 0.000 1.402 187 A CA -1.691 50.382 52.037 0.060 0.000 0.957 187 A CB 0.414 19.432 19.000 0.029 0.000 1.151 187 A HN 0.215 nan 8.150 nan 0.000 0.533 188 P HA 0.092 nan 4.420 nan 0.000 0.220 188 P C 1.090 178.506 177.300 0.193 0.000 1.806 188 P CA -0.063 63.181 63.100 0.240 0.000 0.976 188 P CB -0.095 31.872 31.700 0.445 0.000 1.952 189 V N -0.734 119.254 119.914 0.124 0.000 2.720 189 V HA -0.202 3.918 4.120 0.001 0.000 0.256 189 V C 1.949 178.129 176.094 0.144 0.000 1.082 189 V CA 1.174 63.554 62.300 0.134 0.000 1.101 189 V CB -1.325 30.563 31.823 0.110 0.000 0.693 189 V HN 0.117 nan 8.190 nan 0.000 0.479 190 L N 0.589 121.882 121.223 0.117 0.000 2.049 190 L HA 0.113 4.453 4.340 0.001 0.000 0.203 190 L C 3.082 180.033 176.870 0.135 0.000 1.074 190 L CA 1.459 56.362 54.840 0.106 0.000 0.749 190 L CB -1.103 41.004 42.059 0.079 0.000 0.907 190 L HN 0.367 nan 8.230 nan 0.000 0.439 191 A N 0.659 123.602 122.820 0.205 0.000 1.883 191 A HA -0.188 4.133 4.320 0.001 0.000 0.217 191 A C 2.289 179.953 177.584 0.134 0.000 1.186 191 A CA 2.225 54.391 52.037 0.215 0.000 0.624 191 A CB -1.053 18.241 19.000 0.489 0.000 0.822 191 A HN 0.343 nan 8.150 nan 0.000 0.444 192 V N -2.755 117.278 119.914 0.199 0.000 2.594 192 V HA 0.035 4.155 4.120 0.001 0.000 0.253 192 V C 2.287 178.443 176.094 0.102 0.000 1.069 192 V CA 1.727 64.121 62.300 0.156 0.000 1.082 192 V CB -1.314 30.628 31.823 0.198 0.000 0.680 192 V HN 0.541 nan 8.190 nan 0.000 0.469 193 A N 0.151 123.035 122.820 0.106 0.000 2.238 193 A HA 0.465 4.786 4.320 0.001 0.000 0.208 193 A C 2.029 179.633 177.584 0.034 0.000 1.177 193 A CA 0.917 53.000 52.037 0.078 0.000 0.804 193 A CB -0.870 18.186 19.000 0.094 0.000 0.823 193 A HN 1.765 nan 8.150 nan 0.000 0.482 194 G N -1.223 107.582 108.800 0.009 0.000 2.136 194 G HA2 -0.200 3.761 3.960 0.001 0.000 0.242 194 G HA3 -0.200 3.761 3.960 0.001 0.000 0.242 194 G C -0.023 174.866 174.900 -0.017 0.000 0.989 194 G CA 0.300 45.379 45.100 -0.034 0.000 0.682 194 G HN 0.460 nan 8.290 nan 0.000 0.522 195 L N -0.053 121.179 121.223 0.014 0.000 2.379 195 L HA 0.719 5.059 4.340 0.001 0.000 0.269 195 L C 1.363 178.255 176.870 0.036 0.000 1.084 195 L CA 0.066 54.922 54.840 0.025 0.000 0.802 195 L CB 1.217 43.300 42.059 0.040 0.000 1.175 195 L HN 1.156 nan 8.230 nan 0.000 0.448 196 G N 1.631 110.453 108.800 0.037 0.000 2.681 196 G HA2 -0.219 3.742 3.960 0.001 0.000 0.220 196 G HA3 -0.219 3.742 3.960 0.001 0.000 0.220 196 G C -1.124 173.806 174.900 0.050 0.000 1.353 196 G CA -0.396 44.737 45.100 0.056 0.000 0.872 196 G HN 0.735 nan 8.290 nan 0.000 0.557 197 D N -0.318 120.135 120.400 0.088 0.000 2.233 197 D HA 0.536 5.176 4.640 0.001 0.000 0.240 197 D C 1.818 178.208 176.300 0.149 0.000 1.074 197 D CA 0.495 54.550 54.000 0.091 0.000 0.838 197 D CB 1.319 42.173 40.800 0.090 0.000 1.124 197 D HN 0.872 nan 8.370 nan 0.000 0.475 198 S N 3.402 119.158 115.700 0.094 0.000 2.500 198 S HA -0.147 4.323 4.470 0.001 0.000 0.239 198 S C 1.013 175.839 174.600 0.376 0.000 0.989 198 S CA 0.578 58.855 58.200 0.130 0.000 0.951 198 S CB -0.126 63.099 63.200 0.042 0.000 0.759 198 S HN 0.460 nan 8.310 nan 0.000 0.523 199 N N 1.084 119.942 118.700 0.263 0.000 2.373 199 N HA 0.026 4.766 4.740 0.001 0.000 0.181 199 N C 1.725 177.358 175.510 0.204 0.000 1.082 199 N CA 0.440 53.632 53.050 0.236 0.000 0.885 199 N CB -0.395 38.173 38.487 0.135 0.000 0.977 199 N HN 0.573 nan 8.380 nan 0.000 0.462 200 Q N 0.598 120.535 119.800 0.228 0.000 2.030 200 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 200 Q C 1.709 177.652 176.000 -0.096 0.000 0.986 200 Q CA 1.164 57.030 55.803 0.105 0.000 0.843 200 Q CB -0.491 28.351 28.738 0.172 0.000 0.904 200 Q HN 0.294 nan 8.270 nan 0.000 0.420 201 F N 0.536 120.180 119.950 -0.510 0.000 2.043 201 F HA -0.263 4.265 4.527 0.001 0.000 0.297 201 F C 1.914 177.271 175.800 -0.737 0.000 1.121 201 F CA 1.967 59.336 58.000 -1.052 0.000 1.199 201 F CB -0.572 37.081 39.000 -2.244 0.000 0.968 201 F HN 0.089 nan 8.300 nan 0.000 0.478 202 F N 0.047 119.876 119.950 -0.202 0.000 2.367 202 F HA 0.022 4.549 4.527 0.001 0.000 0.298 202 F C 2.546 178.313 175.800 -0.056 0.000 1.094 202 F CA 1.063 59.000 58.000 -0.105 0.000 1.409 202 F CB -0.885 38.132 39.000 0.027 0.000 1.064 202 F HN -0.101 nan 8.300 nan 0.000 0.528 203 R N 0.731 121.265 120.500 0.058 0.000 2.083 203 R HA -0.182 4.159 4.340 0.001 0.000 0.237 203 R C 1.537 177.785 176.300 -0.085 0.000 1.137 203 R CA 2.185 58.278 56.100 -0.012 0.000 0.951 203 R CB -0.424 29.870 30.300 -0.010 0.000 0.851 203 R HN 0.149 nan 8.270 nan 0.000 0.434 204 D N -0.178 120.105 120.400 -0.195 0.000 2.144 204 D HA -0.097 4.543 4.640 0.001 0.000 0.200 204 D C 1.970 178.131 176.300 -0.232 0.000 0.978 204 D CA 0.813 54.671 54.000 -0.236 0.000 0.833 204 D CB -0.123 40.487 40.800 -0.316 0.000 0.961 204 D HN 0.065 nan 8.370 nan 0.000 0.470 205 V N 1.030 120.761 119.914 -0.306 0.000 2.255 205 V HA -0.269 3.851 4.120 0.001 0.000 0.247 205 V C 2.457 178.644 176.094 0.155 0.000 1.051 205 V CA 2.065 64.318 62.300 -0.079 0.000 1.018 205 V CB -0.886 30.931 31.823 -0.010 0.000 0.641 205 V HN 0.244 nan 8.190 nan 0.000 0.445 206 T N 0.592 115.187 114.554 0.068 0.000 2.635 206 T HA -0.270 4.081 4.350 0.001 0.000 0.267 206 T C 2.064 176.775 174.700 0.018 0.000 1.040 206 T CA 1.885 63.950 62.100 -0.058 0.000 1.156 206 T CB -0.628 68.133 68.868 -0.178 0.000 0.863 206 T HN 0.595 nan 8.240 nan 0.000 0.430 207 A N 2.075 124.886 122.820 -0.016 0.000 1.958 207 A HA -0.240 4.081 4.320 0.001 0.000 0.221 207 A C 2.109 179.693 177.584 -0.000 0.000 1.178 207 A CA 2.033 54.059 52.037 -0.020 0.000 0.642 207 A CB -0.734 18.237 19.000 -0.048 0.000 0.816 207 A HN 0.429 nan 8.150 nan 0.000 0.453 208 D N -1.031 119.380 120.400 0.019 0.000 2.117 208 D HA -0.111 4.530 4.640 0.001 0.000 0.197 208 D C 1.599 177.857 176.300 -0.071 0.000 0.987 208 D CA 1.197 55.170 54.000 -0.045 0.000 0.829 208 D CB -0.399 40.354 40.800 -0.079 0.000 0.961 208 D HN 0.565 nan 8.370 nan 0.000 0.460 209 F N 0.753 120.690 119.950 -0.023 0.000 2.293 209 F HA -0.048 4.479 4.527 0.001 0.000 0.297 209 F C 2.429 178.214 175.800 -0.025 0.000 1.089 209 F CA 0.486 58.488 58.000 0.003 0.000 1.377 209 F CB 0.059 39.091 39.000 0.053 0.000 1.051 209 F HN -0.140 nan 8.300 nan 0.000 0.511 210 E N 0.569 120.838 120.200 0.114 0.000 2.051 210 E HA -0.116 4.235 4.350 0.001 0.000 0.192 210 E C 2.474 179.078 176.600 0.007 0.000 0.991 210 E CA 1.568 57.989 56.400 0.035 0.000 0.799 210 E CB -0.828 28.872 29.700 -0.001 0.000 0.748 210 E HN 0.234 nan 8.360 nan 0.000 0.449 211 G N -0.133 108.659 108.800 -0.013 0.000 2.448 211 G HA2 -0.316 3.644 3.960 0.001 0.000 0.219 211 G HA3 -0.316 3.644 3.960 0.001 0.000 0.219 211 G C 1.594 176.467 174.900 -0.045 0.000 1.127 211 G CA 0.949 46.029 45.100 -0.034 0.000 0.766 211 G HN 0.301 nan 8.290 nan 0.000 0.552 212 Q N 0.787 120.551 119.800 -0.059 0.000 1.969 212 Q HA 0.046 4.386 4.340 0.001 0.000 0.198 212 Q C 1.021 177.007 176.000 -0.023 0.000 0.978 212 Q CA 1.617 57.380 55.803 -0.067 0.000 0.830 212 Q CB -0.151 28.513 28.738 -0.124 0.000 0.896 212 Q HN 0.383 nan 8.270 nan 0.000 0.431 213 S N -1.304 114.402 115.700 0.009 0.000 2.626 213 S HA 0.449 4.919 4.470 0.001 0.000 0.275 213 S C -2.576 172.042 174.600 0.031 0.000 1.175 213 S CA -1.181 57.031 58.200 0.020 0.000 0.982 213 S CB 1.534 64.751 63.200 0.029 0.000 1.093 213 S HN 0.066 nan 8.310 nan 0.000 0.472 214 P HA 0.018 nan 4.420 nan 0.000 0.222 214 P C 0.888 178.194 177.300 0.009 0.000 1.147 214 P CA 0.883 63.986 63.100 0.006 0.000 0.790 214 P CB 0.117 31.815 31.700 -0.003 0.000 0.780 215 K N -1.237 119.173 120.400 0.016 0.000 2.097 215 K HA -0.110 4.211 4.320 0.001 0.000 0.205 215 K C 2.211 178.829 176.600 0.030 0.000 1.050 215 K CA 1.081 57.379 56.287 0.018 0.000 0.938 215 K CB -0.982 31.530 32.500 0.019 0.000 0.718 215 K HN 0.167 nan 8.250 nan 0.000 0.442 216 c N 1.309 119.943 118.600 0.055 0.000 2.413 216 c HA -0.171 4.399 4.570 0.001 0.000 0.277 216 c C 3.023 177.152 174.090 0.065 0.000 1.228 216 c CA 2.069 58.455 56.329 0.096 0.000 1.731 216 c CB -1.078 41.534 42.510 0.171 0.000 2.042 216 c HN 0.687 nan 8.230 nan 0.000 0.468 217 T N -1.047 113.530 114.554 0.038 0.000 2.788 217 T HA -0.128 4.223 4.350 0.001 0.000 0.268 217 T C 2.077 176.731 174.700 -0.076 0.000 1.044 217 T CA 2.672 64.741 62.100 -0.051 0.000 1.139 217 T CB -0.959 67.869 68.868 -0.066 0.000 0.867 217 T HN 0.777 nan 8.240 nan 0.000 0.454 218 Q N 1.278 121.054 119.800 -0.039 0.000 2.084 218 Q HA 0.145 4.485 4.340 0.001 0.000 0.202 218 Q C 2.758 178.742 176.000 -0.028 0.000 0.978 218 Q CA 2.103 57.884 55.803 -0.036 0.000 0.844 218 Q CB -1.778 26.948 28.738 -0.019 0.000 0.898 218 Q HN 0.791 nan 8.270 nan 0.000 0.426 219 G N 0.096 108.891 108.800 -0.008 0.000 2.421 219 G HA2 -0.136 3.824 3.960 0.001 0.000 0.216 219 G HA3 -0.136 3.824 3.960 0.001 0.000 0.216 219 G C 1.817 176.704 174.900 -0.022 0.000 1.171 219 G CA 1.468 46.569 45.100 0.001 0.000 0.775 219 G HN 0.511 nan 8.290 nan 0.000 0.543 220 V N 0.763 120.653 119.914 -0.041 0.000 2.255 220 V HA -0.237 3.883 4.120 0.001 0.000 0.247 220 V C 2.913 178.954 176.094 -0.088 0.000 1.051 220 V CA 2.259 64.494 62.300 -0.108 0.000 1.018 220 V CB -0.579 31.109 31.823 -0.224 0.000 0.641 220 V HN 0.314 nan 8.190 nan 0.000 0.445 221 R N -0.019 120.433 120.500 -0.080 0.000 2.091 221 R HA -0.199 4.142 4.340 0.001 0.000 0.238 221 R C 2.564 178.858 176.300 -0.009 0.000 1.136 221 R CA 2.021 58.092 56.100 -0.048 0.000 0.959 221 R CB -0.607 29.637 30.300 -0.093 0.000 0.856 221 R HN 0.740 nan 8.270 nan 0.000 0.437 222 E N 0.810 120.998 120.200 -0.020 0.000 2.077 222 E HA -0.106 4.244 4.350 0.001 0.000 0.193 222 E C 1.929 178.532 176.600 0.005 0.000 0.989 222 E CA 1.251 57.650 56.400 -0.001 0.000 0.800 222 E CB -0.594 29.106 29.700 0.000 0.000 0.746 222 E HN 0.531 nan 8.360 nan 0.000 0.452 223 A N -0.085 122.712 122.820 -0.038 0.000 1.865 223 A HA 0.069 4.389 4.320 0.001 0.000 0.217 223 A C 2.197 179.742 177.584 -0.066 0.000 1.191 223 A CA 1.672 53.663 52.037 -0.075 0.000 0.623 223 A CB -0.657 18.239 19.000 -0.174 0.000 0.826 223 A HN 0.461 nan 8.150 nan 0.000 0.444 224 F N -0.244 119.678 119.950 -0.047 0.000 2.134 224 F HA -0.103 4.425 4.527 0.001 0.000 0.299 224 F C 2.460 178.226 175.800 -0.058 0.000 1.097 224 F CA 1.584 59.505 58.000 -0.131 0.000 1.264 224 F CB -0.436 38.341 39.000 -0.371 0.000 1.001 224 F HN 0.198 nan 8.300 nan 0.000 0.479 225 R N 0.512 121.088 120.500 0.127 0.000 2.083 225 R HA -0.210 4.130 4.340 0.001 0.000 0.237 225 R C 2.145 178.520 176.300 0.125 0.000 1.137 225 R CA 1.891 58.047 56.100 0.094 0.000 0.951 225 R CB -0.447 29.881 30.300 0.047 0.000 0.851 225 R HN 0.353 nan 8.270 nan 0.000 0.434 226 Q N 0.116 119.981 119.800 0.109 0.000 2.077 226 Q HA -0.195 4.146 4.340 0.001 0.000 0.206 226 Q C 2.260 178.358 176.000 0.164 0.000 0.989 226 Q CA 2.078 57.949 55.803 0.113 0.000 0.853 226 Q CB -0.179 28.614 28.738 0.091 0.000 0.907 226 Q HN 0.423 nan 8.270 nan 0.000 0.418 227 I N 0.681 121.379 120.570 0.213 0.000 2.179 227 I HA -0.317 3.854 4.170 0.001 0.000 0.242 227 I C 2.515 178.830 176.117 0.329 0.000 1.088 227 I CA 1.286 62.752 61.300 0.277 0.000 1.357 227 I CB -0.272 37.915 38.000 0.311 0.000 1.051 227 I HN 0.157 nan 8.210 nan 0.000 0.409 228 K N 0.927 121.560 120.400 0.389 0.000 2.032 228 K HA -0.242 4.078 4.320 0.001 0.000 0.209 228 K C 1.697 178.444 176.600 0.245 0.000 1.048 228 K CA 2.062 58.553 56.287 0.340 0.000 0.927 228 K CB -0.096 32.599 32.500 0.326 0.000 0.712 228 K HN 0.196 nan 8.250 nan 0.000 0.441 229 D N 0.910 121.420 120.400 0.184 0.000 2.117 229 D HA -0.160 4.480 4.640 0.001 0.000 0.197 229 D C 2.021 178.390 176.300 0.116 0.000 0.987 229 D CA 1.133 55.209 54.000 0.127 0.000 0.829 229 D CB -0.180 40.675 40.800 0.092 0.000 0.961 229 D HN 0.246 nan 8.370 nan 0.000 0.460 230 L N -0.539 120.765 121.223 0.134 0.000 2.046 230 L HA -0.161 4.179 4.340 0.001 0.000 0.208 230 L C 2.401 179.297 176.870 0.043 0.000 1.077 230 L CA 0.808 55.696 54.840 0.080 0.000 0.747 230 L CB -0.380 41.742 42.059 0.104 0.000 0.896 230 L HN -0.033 nan 8.230 nan 0.000 0.432 231 F N 0.101 120.071 119.950 0.032 0.000 2.134 231 F HA -0.260 4.267 4.527 0.001 0.000 0.299 231 F C 2.529 178.344 175.800 0.026 0.000 1.097 231 F CA 1.832 59.877 58.000 0.074 0.000 1.264 231 F CB -0.420 38.652 39.000 0.119 0.000 1.001 231 F HN -0.000 nan 8.300 nan 0.000 0.479 232 L N -0.759 120.601 121.223 0.227 0.000 2.046 232 L HA -0.246 4.095 4.340 0.001 0.000 0.208 232 L C 1.984 178.865 176.870 0.019 0.000 1.077 232 L CA 2.393 57.311 54.840 0.130 0.000 0.747 232 L CB -1.662 40.466 42.059 0.115 0.000 0.896 232 L HN 0.308 nan 8.230 nan 0.000 0.432 233 Q N -0.171 119.613 119.800 -0.027 0.000 2.500 233 Q HA 0.222 4.562 4.340 0.001 0.000 0.213 233 Q C 1.627 177.501 176.000 -0.210 0.000 0.974 233 Q CA 0.583 56.334 55.803 -0.087 0.000 0.918 233 Q CB -0.197 28.502 28.738 -0.066 0.000 0.980 233 Q HN 1.008 nan 8.270 nan 0.000 0.505 234 G N 0.329 108.895 108.800 -0.390 0.000 2.147 234 G HA2 -0.308 3.653 3.960 0.001 0.000 0.244 234 G HA3 -0.308 3.653 3.960 0.001 0.000 0.244 234 G C 0.259 174.614 174.900 -0.908 0.000 1.005 234 G CA 0.100 44.702 45.100 -0.830 0.000 0.713 234 G HN 0.476 nan 8.290 nan 0.000 0.515 235 A N 0.037 122.492 122.820 -0.607 0.000 3.202 235 A HA 0.676 4.996 4.320 0.001 0.000 0.258 235 A C 1.208 178.604 177.584 -0.314 0.000 1.572 235 A CA 0.133 51.954 52.037 -0.360 0.000 1.241 235 A CB -0.333 18.568 19.000 -0.165 0.000 1.127 235 A HN 0.489 nan 8.150 nan 0.000 0.648 236 Y N 0.122 120.261 120.300 -0.269 0.000 2.165 236 Y HA -0.211 4.339 4.550 0.001 0.000 0.286 236 Y C 1.805 177.636 175.900 -0.116 0.000 1.155 236 Y CA 1.545 59.430 58.100 -0.358 0.000 1.164 236 Y CB -0.394 37.823 38.460 -0.405 0.000 0.978 236 Y HN 0.443 nan 8.280 nan 0.000 0.513 237 D N -0.751 119.700 120.400 0.085 0.000 2.144 237 D HA -0.129 4.511 4.640 0.001 0.000 0.199 237 D C 2.071 178.458 176.300 0.145 0.000 0.984 237 D CA 1.791 55.853 54.000 0.104 0.000 0.834 237 D CB -0.505 40.323 40.800 0.046 0.000 0.955 237 D HN 0.316 nan 8.370 nan 0.000 0.465 238 T N 0.423 115.032 114.554 0.092 0.000 2.788 238 T HA -0.080 4.270 4.350 0.001 0.000 0.268 238 T C 2.239 177.071 174.700 0.220 0.000 1.044 238 T CA 0.663 62.847 62.100 0.141 0.000 1.139 238 T CB -0.173 68.736 68.868 0.069 0.000 0.867 238 T HN -0.011 nan 8.240 nan 0.000 0.454 239 V N 1.513 121.544 119.914 0.195 0.000 2.307 239 V HA -0.132 3.989 4.120 0.001 0.000 0.245 239 V C 2.624 178.893 176.094 0.293 0.000 1.045 239 V CA 1.661 64.114 62.300 0.254 0.000 1.024 239 V CB -0.623 31.379 31.823 0.298 0.000 0.651 239 V HN 0.365 nan 8.190 nan 0.000 0.449 240 R N -0.752 119.904 120.500 0.260 0.000 2.083 240 R HA -0.246 4.094 4.340 0.001 0.000 0.237 240 R C 2.341 178.783 176.300 0.236 0.000 1.137 240 R CA 2.407 58.651 56.100 0.240 0.000 0.951 240 R CB -0.445 29.976 30.300 0.202 0.000 0.851 240 R HN 0.712 nan 8.270 nan 0.000 0.434 241 W N 1.668 123.020 121.300 0.087 0.000 2.378 241 W HA -0.169 4.492 4.660 0.001 0.000 0.313 241 W C 1.542 178.100 176.519 0.066 0.000 1.197 241 W CA 1.368 58.746 57.345 0.056 0.000 1.304 241 W CB -0.108 29.375 29.460 0.039 0.000 1.148 241 W HN 0.168 nan 8.180 nan 0.000 0.494 242 E N -0.148 120.220 120.200 0.279 0.000 2.072 242 E HA -0.188 4.162 4.350 0.001 0.000 0.190 242 E C 1.931 178.613 176.600 0.137 0.000 0.982 242 E CA 1.192 57.702 56.400 0.183 0.000 0.803 242 E CB -1.192 28.657 29.700 0.248 0.000 0.755 242 E HN 0.285 nan 8.360 nan 0.000 0.453 243 F N 0.747 120.744 119.950 0.078 0.000 2.367 243 F HA 0.147 4.674 4.527 0.001 0.000 0.298 243 F C 1.072 176.907 175.800 0.059 0.000 1.094 243 F CA 1.425 59.489 58.000 0.106 0.000 1.409 243 F CB 0.364 39.458 39.000 0.158 0.000 1.064 243 F HN 0.137 nan 8.300 nan 0.000 0.528 244 G N 1.695 110.452 108.800 -0.071 0.000 2.467 244 G HA2 -0.162 3.798 3.960 0.001 0.000 0.242 244 G HA3 -0.162 3.798 3.960 0.001 0.000 0.242 244 G C -0.018 174.769 174.900 -0.189 0.000 1.127 244 G CA 0.148 45.079 45.100 -0.282 0.000 0.924 244 G HN 0.687 nan 8.290 nan 0.000 0.499 245 T N -2.570 111.992 114.554 0.014 0.000 2.867 245 T HA 0.540 4.890 4.350 0.001 0.000 0.282 245 T C 1.707 176.418 174.700 0.018 0.000 1.000 245 T CA 0.103 62.230 62.100 0.046 0.000 1.042 245 T CB 1.750 70.689 68.868 0.118 0.000 0.973 245 T HN 0.523 nan 8.240 nan 0.000 0.465 246 c N 1.846 120.455 118.600 0.014 0.000 2.446 246 c HA 0.022 4.593 4.570 0.001 0.000 0.277 246 c C 1.326 175.450 174.090 0.057 0.000 1.275 246 c CA 0.235 56.582 56.329 0.029 0.000 1.727 246 c CB -1.257 41.275 42.510 0.037 0.000 2.010 246 c HN 0.844 nan 8.230 nan 0.000 0.486 247 Q N 1.945 121.791 119.800 0.076 0.000 2.373 247 Q HA 0.292 4.632 4.340 0.001 0.000 0.255 247 Q C -2.227 173.829 176.000 0.094 0.000 0.980 247 Q CA -1.052 54.807 55.803 0.094 0.000 0.882 247 Q CB 0.004 28.830 28.738 0.147 0.000 1.249 247 Q HN 0.355 nan 8.270 nan 0.000 0.438 248 P HA 0.095 nan 4.420 nan 0.000 0.274 248 P C -1.039 176.297 177.300 0.059 0.000 1.231 248 P CA -0.022 63.119 63.100 0.069 0.000 0.790 248 P CB 0.696 32.422 31.700 0.045 0.000 0.951 249 L N 1.622 122.862 121.223 0.029 0.000 2.362 249 L HA 0.413 4.753 4.340 0.001 0.000 0.275 249 L C 1.089 177.746 176.870 -0.355 0.000 0.998 249 L CA -0.268 54.571 54.840 -0.002 0.000 0.820 249 L CB 1.952 44.110 42.059 0.164 0.000 1.270 249 L HN 0.435 nan 8.230 nan 0.000 0.415 250 S N -1.274 114.181 115.700 -0.408 0.000 2.653 250 S HA 0.244 4.714 4.470 0.001 0.000 0.259 250 S C -0.148 174.069 174.600 -0.638 0.000 1.076 250 S CA -0.168 57.571 58.200 -0.769 0.000 1.051 250 S CB 0.276 63.286 63.200 -0.317 0.000 0.994 250 S HN 0.736 nan 8.310 nan 0.000 0.552 251 D N -0.289 120.036 120.400 -0.126 0.000 2.664 251 D HA 0.593 5.233 4.640 0.001 0.000 0.292 251 D C 0.902 177.320 176.300 0.198 0.000 1.214 251 D CA -0.049 54.000 54.000 0.082 0.000 0.932 251 D CB 0.388 41.203 40.800 0.025 0.000 1.420 251 D HN -0.019 nan 8.370 nan 0.000 0.471 252 E N -0.554 119.709 120.200 0.105 0.000 2.153 252 E HA -0.068 4.283 4.350 0.001 0.000 0.194 252 E C 2.058 178.616 176.600 -0.070 0.000 0.988 252 E CA 2.628 59.019 56.400 -0.016 0.000 0.811 252 E CB -1.351 28.362 29.700 0.021 0.000 0.746 252 E HN 0.703 nan 8.360 nan 0.000 0.466 253 K N 1.266 121.671 120.400 0.008 0.000 2.103 253 K HA -0.208 4.112 4.320 0.001 0.000 0.207 253 K C 2.040 178.659 176.600 0.032 0.000 1.048 253 K CA 1.795 58.108 56.287 0.044 0.000 0.930 253 K CB -0.818 31.743 32.500 0.101 0.000 0.716 253 K HN 0.513 nan 8.250 nan 0.000 0.444 254 D N -0.035 120.383 120.400 0.030 0.000 2.123 254 D HA -0.068 4.572 4.640 0.001 0.000 0.200 254 D C 1.936 178.053 176.300 -0.304 0.000 0.976 254 D CA 1.147 55.151 54.000 0.008 0.000 0.831 254 D CB -0.224 40.681 40.800 0.176 0.000 0.974 254 D HN 0.260 nan 8.370 nan 0.000 0.469 255 L N 0.981 121.814 121.223 -0.650 0.000 2.046 255 L HA -0.142 4.198 4.340 0.001 0.000 0.208 255 L C 2.187 178.546 176.870 -0.852 0.000 1.077 255 L CA 1.702 55.834 54.840 -1.180 0.000 0.747 255 L CB -0.909 40.225 42.059 -1.542 0.000 0.896 255 L HN -0.052 nan 8.230 nan 0.000 0.432 256 T N -1.052 113.241 114.554 -0.435 0.000 2.652 256 T HA -0.279 4.072 4.350 0.001 0.000 0.267 256 T C 1.740 176.340 174.700 -0.168 0.000 1.039 256 T CA 1.689 63.672 62.100 -0.196 0.000 1.153 256 T CB -0.258 68.567 68.868 -0.072 0.000 0.863 256 T HN 0.362 nan 8.240 nan 0.000 0.428 257 Q N 0.924 120.600 119.800 -0.207 0.000 2.045 257 Q HA -0.080 4.260 4.340 0.001 0.000 0.206 257 Q C 2.161 178.024 176.000 -0.228 0.000 0.991 257 Q CA 1.596 57.245 55.803 -0.256 0.000 0.851 257 Q CB -0.881 27.487 28.738 -0.617 0.000 0.911 257 Q HN 0.551 nan 8.270 nan 0.000 0.418 258 L N -0.695 120.345 121.223 -0.306 0.000 2.013 258 L HA -0.218 4.122 4.340 0.001 0.000 0.212 258 L C 2.009 178.885 176.870 0.010 0.000 1.073 258 L CA 1.503 56.206 54.840 -0.228 0.000 0.753 258 L CB -0.348 41.480 42.059 -0.385 0.000 0.890 258 L HN 0.283 nan 8.230 nan 0.000 0.432 259 F N -0.751 119.116 119.950 -0.139 0.000 2.134 259 F HA -0.258 4.269 4.527 0.001 0.000 0.299 259 F C 2.535 178.222 175.800 -0.189 0.000 1.097 259 F CA 1.108 59.046 58.000 -0.103 0.000 1.264 259 F CB -0.947 37.928 39.000 -0.209 0.000 1.001 259 F HN 0.108 nan 8.300 nan 0.000 0.479 260 M N -1.082 118.486 119.600 -0.053 0.000 2.117 260 M HA -0.220 4.260 4.480 0.001 0.000 0.262 260 M C 2.379 178.319 176.300 -0.600 0.000 1.065 260 M CA 1.397 56.508 55.300 -0.315 0.000 1.114 260 M CB -1.660 30.818 32.600 -0.202 0.000 1.361 260 M HN 0.216 nan 8.290 nan 0.000 0.408 261 F N 1.240 120.869 119.950 -0.533 0.000 2.095 261 F HA -0.171 4.357 4.527 0.001 0.000 0.298 261 F C 2.320 178.035 175.800 -0.143 0.000 1.104 261 F CA 1.979 59.709 58.000 -0.450 0.000 1.232 261 F CB -0.350 38.471 39.000 -0.299 0.000 0.987 261 F HN 0.104 nan 8.300 nan 0.000 0.475 262 A N 0.766 123.663 122.820 0.129 0.000 1.898 262 A HA -0.183 4.137 4.320 0.001 0.000 0.216 262 A C 2.379 180.144 177.584 0.301 0.000 1.181 262 A CA 1.621 53.819 52.037 0.268 0.000 0.620 262 A CB -0.948 18.350 19.000 0.497 0.000 0.819 262 A HN 0.511 nan 8.150 nan 0.000 0.442 263 R N -0.114 120.445 120.500 0.098 0.000 2.091 263 R HA -0.231 4.109 4.340 0.001 0.000 0.238 263 R C 2.082 178.326 176.300 -0.094 0.000 1.136 263 R CA 1.997 57.970 56.100 -0.211 0.000 0.959 263 R CB -0.415 29.414 30.300 -0.785 0.000 0.856 263 R HN 0.601 nan 8.270 nan 0.000 0.437 264 N N 0.182 118.783 118.700 -0.165 0.000 2.166 264 N HA -0.150 4.590 4.740 0.001 0.000 0.186 264 N C 1.560 177.035 175.510 -0.057 0.000 1.019 264 N CA 1.634 54.647 53.050 -0.061 0.000 0.856 264 N CB -0.182 38.252 38.487 -0.088 0.000 0.993 264 N HN 0.360 nan 8.380 nan 0.000 0.426 265 A N -0.313 122.418 122.820 -0.150 0.000 1.927 265 A HA -0.157 4.164 4.320 0.001 0.000 0.220 265 A C 1.974 179.427 177.584 -0.219 0.000 1.185 265 A CA 1.522 53.367 52.037 -0.320 0.000 0.639 265 A CB -1.181 17.575 19.000 -0.407 0.000 0.820 265 A HN 0.418 nan 8.150 nan 0.000 0.451 266 F N 0.325 120.259 119.950 -0.027 0.000 2.146 266 F HA -0.112 4.416 4.527 0.001 0.000 0.298 266 F C 2.789 178.681 175.800 0.152 0.000 1.096 266 F CA 1.696 59.725 58.000 0.048 0.000 1.275 266 F CB -1.073 37.894 39.000 -0.054 0.000 1.008 266 F HN 0.126 nan 8.300 nan 0.000 0.480 267 T N 0.038 114.745 114.554 0.255 0.000 2.635 267 T HA -0.199 4.152 4.350 0.001 0.000 0.267 267 T C 2.211 176.967 174.700 0.094 0.000 1.040 267 T CA 1.752 63.960 62.100 0.180 0.000 1.156 267 T CB -0.755 68.260 68.868 0.244 0.000 0.863 267 T HN 0.023 nan 8.240 nan 0.000 0.430 268 V N 1.444 121.379 119.914 0.034 0.000 2.261 268 V HA -0.135 3.985 4.120 0.001 0.000 0.246 268 V C 2.564 178.625 176.094 -0.054 0.000 1.047 268 V CA 1.575 63.851 62.300 -0.040 0.000 1.015 268 V CB -0.789 30.961 31.823 -0.122 0.000 0.642 268 V HN 0.419 nan 8.190 nan 0.000 0.446 269 L N 0.055 121.261 121.223 -0.027 0.000 2.013 269 L HA -0.256 4.085 4.340 0.001 0.000 0.212 269 L C 2.754 179.580 176.870 -0.074 0.000 1.073 269 L CA 1.855 56.678 54.840 -0.029 0.000 0.753 269 L CB -0.908 41.203 42.059 0.086 0.000 0.890 269 L HN 0.394 nan 8.230 nan 0.000 0.432 270 A N -0.169 122.674 122.820 0.039 0.000 1.865 270 A HA -0.264 4.057 4.320 0.001 0.000 0.217 270 A C 2.285 179.776 177.584 -0.155 0.000 1.191 270 A CA 2.162 54.164 52.037 -0.059 0.000 0.623 270 A CB -0.566 18.462 19.000 0.046 0.000 0.826 270 A HN 0.365 nan 8.150 nan 0.000 0.444 271 M N -1.108 118.418 119.600 -0.123 0.000 2.159 271 M HA -0.046 4.435 4.480 0.001 0.000 0.263 271 M C 0.927 177.048 176.300 -0.298 0.000 1.063 271 M CA 1.042 56.257 55.300 -0.141 0.000 1.110 271 M CB -0.247 32.294 32.600 -0.099 0.000 1.374 271 M HN 0.253 nan 8.290 nan 0.000 0.411 272 M N -0.016 119.385 119.600 -0.331 0.000 2.854 272 M HA 0.110 4.590 4.480 0.001 0.000 0.251 272 M C -0.322 175.547 176.300 -0.718 0.000 1.301 272 M CA 0.245 55.206 55.300 -0.564 0.000 1.059 272 M CB -1.308 31.207 32.600 -0.143 0.000 1.419 272 M HN -0.071 nan 8.290 nan 0.000 0.467 273 D N 1.318 121.307 120.400 -0.684 0.000 2.688 273 D HA 0.089 4.730 4.640 0.001 0.000 0.228 273 D C -0.939 175.084 176.300 -0.461 0.000 1.116 273 D CA 0.183 53.905 54.000 -0.462 0.000 1.023 273 D CB -0.208 40.392 40.800 -0.333 0.000 1.100 273 D HN 0.097 nan 8.370 nan 0.000 0.487 274 Y N 0.791 120.956 120.300 -0.224 0.000 2.352 274 Y HA 0.293 4.843 4.550 0.001 0.000 0.326 274 Y C -1.093 174.578 175.900 -0.382 0.000 1.166 274 Y CA -2.731 55.142 58.100 -0.377 0.000 1.182 274 Y CB 0.836 38.942 38.460 -0.591 0.000 1.216 274 Y HN 0.130 nan 8.280 nan 0.000 0.474 275 P HA -0.065 nan 4.420 nan 0.000 0.242 275 P C -1.167 176.097 177.300 -0.059 0.000 1.197 275 P CA 1.098 64.135 63.100 -0.105 0.000 0.765 275 P CB -0.236 31.462 31.700 -0.003 0.000 0.936 276 Y N -3.856 116.390 120.300 -0.091 0.000 2.625 276 Y HA 0.776 5.327 4.550 0.001 0.000 0.338 276 Y C -3.167 172.699 175.900 -0.056 0.000 1.123 276 Y CA -3.986 54.021 58.100 -0.156 0.000 1.046 276 Y CB -0.435 37.687 38.460 -0.563 0.000 1.299 276 Y HN -0.381 nan 8.280 nan 0.000 0.464 277 P HA 0.314 nan 4.420 nan 0.000 0.271 277 P C -0.486 176.938 177.300 0.207 0.000 1.218 277 P CA 0.159 63.349 63.100 0.151 0.000 0.780 277 P CB 1.047 32.824 31.700 0.130 0.000 0.901 278 T N -2.197 112.449 114.554 0.153 0.000 2.812 278 T HA 0.561 4.912 4.350 0.001 0.000 0.294 278 T C -1.195 173.594 174.700 0.148 0.000 1.159 278 T CA -0.568 61.634 62.100 0.169 0.000 1.008 278 T CB 1.629 70.618 68.868 0.202 0.000 1.289 278 T HN 0.250 nan 8.240 nan 0.000 0.514 279 D N -0.164 120.331 120.400 0.158 0.000 2.968 279 D HA 0.290 4.931 4.640 0.001 0.000 0.301 279 D C -0.399 176.038 176.300 0.228 0.000 1.226 279 D CA -0.615 53.474 54.000 0.150 0.000 0.746 279 D CB 0.146 41.003 40.800 0.095 0.000 1.278 279 D HN 0.305 nan 8.370 nan 0.000 0.544 280 F N 0.668 120.672 119.950 0.089 0.000 2.202 280 F HA 0.301 4.828 4.527 0.001 0.000 0.279 280 F C 1.395 177.241 175.800 0.077 0.000 1.077 280 F CA 0.515 58.575 58.000 0.100 0.000 1.193 280 F CB -0.279 38.825 39.000 0.173 0.000 1.090 280 F HN 0.137 nan 8.300 nan 0.000 0.516 281 L N -0.394 120.915 121.223 0.142 0.000 2.509 281 L HA 0.334 4.674 4.340 0.001 0.000 0.222 281 L C 0.465 177.351 176.870 0.027 0.000 1.123 281 L CA 0.530 55.358 54.840 -0.021 0.000 0.856 281 L CB -0.142 41.850 42.059 -0.112 0.000 0.985 281 L HN 0.337 nan 8.230 nan 0.000 0.456 282 G N -0.669 108.174 108.800 0.071 0.000 2.358 282 G HA2 0.169 4.130 3.960 0.001 0.000 0.301 282 G HA3 0.169 4.130 3.960 0.001 0.000 0.301 282 G C -3.212 171.722 174.900 0.056 0.000 1.539 282 G CA -0.835 44.290 45.100 0.041 0.000 0.893 282 G HN -0.362 nan 8.290 nan 0.000 0.636 283 P HA 0.500 nan 4.420 nan 0.000 0.276 283 P C -0.545 176.774 177.300 0.031 0.000 1.253 283 P CA -0.001 63.129 63.100 0.049 0.000 0.766 283 P CB 1.024 32.748 31.700 0.040 0.000 0.845 284 L N 5.447 126.697 121.223 0.045 0.000 2.393 284 L HA 0.552 4.892 4.340 0.001 0.000 0.260 284 L C -2.205 174.684 176.870 0.033 0.000 1.002 284 L CA -2.618 52.236 54.840 0.023 0.000 0.818 284 L CB 2.902 44.968 42.059 0.012 0.000 1.369 284 L HN 0.176 nan 8.230 nan 0.000 0.412 285 P HA 0.167 nan 4.420 nan 0.000 0.275 285 P C -0.804 176.503 177.300 0.011 0.000 1.266 285 P CA -0.449 62.663 63.100 0.019 0.000 0.793 285 P CB 0.612 32.315 31.700 0.004 0.000 1.074 286 A N 0.853 123.685 122.820 0.020 0.000 2.483 286 A HA 0.091 4.411 4.320 0.001 0.000 0.238 286 A C 0.639 178.202 177.584 -0.036 0.000 1.070 286 A CA -0.081 51.955 52.037 -0.002 0.000 0.770 286 A CB -1.115 17.904 19.000 0.031 0.000 1.008 286 A HN 0.717 nan 8.150 nan 0.000 0.497 287 N N 0.536 119.193 118.700 -0.071 0.000 2.696 287 N HA -0.137 4.603 4.740 0.001 0.000 0.256 287 N C -1.990 173.455 175.510 -0.109 0.000 1.031 287 N CA 0.992 53.984 53.050 -0.097 0.000 0.730 287 N CB -0.976 37.469 38.487 -0.071 0.000 0.894 287 N HN 0.597 nan 8.380 nan 0.000 0.544 288 P HA -0.053 nan 4.420 nan 0.000 0.223 288 P C 1.559 178.771 177.300 -0.146 0.000 1.151 288 P CA 0.396 63.430 63.100 -0.110 0.000 0.787 288 P CB 0.372 32.010 31.700 -0.104 0.000 0.788 289 V N 1.636 121.402 119.914 -0.246 0.000 2.261 289 V HA -0.244 3.877 4.120 0.001 0.000 0.246 289 V C 2.887 178.817 176.094 -0.273 0.000 1.047 289 V CA 2.222 64.262 62.300 -0.434 0.000 1.015 289 V CB -1.188 30.225 31.823 -0.683 0.000 0.642 289 V HN 0.154 nan 8.190 nan 0.000 0.446 290 K N 0.117 120.403 120.400 -0.190 0.000 2.020 290 K HA -0.217 4.103 4.320 0.001 0.000 0.212 290 K C 2.014 178.585 176.600 -0.049 0.000 1.050 290 K CA 2.255 58.482 56.287 -0.099 0.000 0.929 290 K CB -0.338 32.115 32.500 -0.079 0.000 0.714 290 K HN 0.326 nan 8.250 nan 0.000 0.443 291 V N 0.810 120.694 119.914 -0.050 0.000 2.392 291 V HA -0.194 3.926 4.120 0.001 0.000 0.249 291 V C 2.474 178.567 176.094 -0.002 0.000 1.059 291 V CA 2.112 64.398 62.300 -0.022 0.000 1.051 291 V CB -1.015 30.793 31.823 -0.025 0.000 0.658 291 V HN 0.652 nan 8.190 nan 0.000 0.455 292 G N -1.319 107.484 108.800 0.006 0.000 2.402 292 G HA2 -0.240 3.720 3.960 0.001 0.000 0.216 292 G HA3 -0.240 3.720 3.960 0.001 0.000 0.216 292 G C 1.748 176.714 174.900 0.108 0.000 1.162 292 G CA 1.216 46.348 45.100 0.053 0.000 0.777 292 G HN 0.514 nan 8.290 nan 0.000 0.539 293 c N 0.746 119.429 118.600 0.138 0.000 2.413 293 c HA -0.047 4.523 4.570 0.001 0.000 0.278 293 c C 2.661 176.800 174.090 0.081 0.000 1.224 293 c CA 1.021 57.438 56.329 0.148 0.000 1.732 293 c CB -0.645 41.939 42.510 0.124 0.000 2.050 293 c HN 0.478 nan 8.230 nan 0.000 0.463 294 D N 0.254 120.682 120.400 0.045 0.000 2.133 294 D HA -0.152 4.489 4.640 0.001 0.000 0.192 294 D C 2.299 178.618 176.300 0.033 0.000 1.001 294 D CA 1.293 55.311 54.000 0.030 0.000 0.844 294 D CB -0.526 40.283 40.800 0.015 0.000 0.944 294 D HN 0.516 nan 8.370 nan 0.000 0.447 295 R N 0.041 120.560 120.500 0.032 0.000 2.083 295 R HA -0.093 4.248 4.340 0.001 0.000 0.237 295 R C 2.547 178.871 176.300 0.040 0.000 1.137 295 R CA 0.702 56.819 56.100 0.030 0.000 0.951 295 R CB -0.559 29.755 30.300 0.023 0.000 0.851 295 R HN 0.221 nan 8.270 nan 0.000 0.434 296 L N 0.905 122.161 121.223 0.056 0.000 2.017 296 L HA -0.163 4.178 4.340 0.001 0.000 0.208 296 L C 2.046 178.949 176.870 0.054 0.000 1.073 296 L CA 1.446 56.325 54.840 0.064 0.000 0.745 296 L CB -0.126 41.990 42.059 0.095 0.000 0.894 296 L HN 0.167 nan 8.230 nan 0.000 0.432 297 L N -0.419 120.836 121.223 0.053 0.000 2.201 297 L HA -0.116 4.224 4.340 0.001 0.000 0.212 297 L C 2.464 179.354 176.870 0.033 0.000 1.105 297 L CA 1.155 56.020 54.840 0.042 0.000 0.775 297 L CB -0.485 41.598 42.059 0.041 0.000 0.913 297 L HN 0.442 nan 8.230 nan 0.000 0.440 298 S N -2.163 113.555 115.700 0.031 0.000 2.593 298 S HA 0.084 4.554 4.470 0.001 0.000 0.217 298 S C 0.636 175.251 174.600 0.026 0.000 0.966 298 S CA -0.205 58.010 58.200 0.025 0.000 0.914 298 S CB -0.181 63.032 63.200 0.021 0.000 0.776 298 S HN 0.189 nan 8.310 nan 0.000 0.523 299 E N 1.029 121.247 120.200 0.031 0.000 2.277 299 E HA 0.566 4.917 4.350 0.001 0.000 0.274 299 E C 0.862 177.482 176.600 0.033 0.000 1.022 299 E CA 0.018 56.437 56.400 0.032 0.000 0.853 299 E CB 1.525 31.248 29.700 0.038 0.000 1.086 299 E HN 0.263 nan 8.360 nan 0.000 0.397 300 A N 3.310 126.151 122.820 0.034 0.000 1.935 300 A HA -0.064 4.256 4.320 0.001 0.000 0.214 300 A C 0.812 178.419 177.584 0.039 0.000 1.178 300 A CA 0.786 52.843 52.037 0.033 0.000 0.640 300 A CB 0.073 19.093 19.000 0.032 0.000 0.825 300 A HN 0.553 nan 8.150 nan 0.000 0.447 301 Q N -0.315 119.513 119.800 0.047 0.000 2.256 301 Q HA 0.317 4.657 4.340 0.001 0.000 0.254 301 Q C 0.586 176.622 176.000 0.060 0.000 0.916 301 Q CA -0.812 55.026 55.803 0.057 0.000 0.932 301 Q CB 1.155 29.935 28.738 0.071 0.000 1.207 301 Q HN 0.220 nan 8.270 nan 0.000 0.426 302 R N 1.879 122.414 120.500 0.058 0.000 2.096 302 R HA -0.084 4.257 4.340 0.001 0.000 0.235 302 R C 1.718 178.062 176.300 0.072 0.000 1.127 302 R CA 1.290 57.421 56.100 0.051 0.000 0.968 302 R CB -0.381 29.940 30.300 0.035 0.000 0.861 302 R HN 0.741 nan 8.270 nan 0.000 0.440 303 I N 0.337 120.969 120.570 0.104 0.000 2.226 303 I HA -0.243 3.927 4.170 0.001 0.000 0.245 303 I C 1.915 178.148 176.117 0.193 0.000 1.100 303 I CA 1.474 62.878 61.300 0.175 0.000 1.374 303 I CB -0.502 37.623 38.000 0.208 0.000 1.057 303 I HN 0.119 nan 8.210 nan 0.000 0.413 304 T N 0.456 115.083 114.554 0.121 0.000 2.788 304 T HA -0.097 4.253 4.350 0.001 0.000 0.268 304 T C 1.929 176.671 174.700 0.071 0.000 1.044 304 T CA 1.378 63.523 62.100 0.075 0.000 1.139 304 T CB -0.626 68.272 68.868 0.050 0.000 0.867 304 T HN 0.583 nan 8.240 nan 0.000 0.454 305 G N 1.360 110.205 108.800 0.075 0.000 2.421 305 G HA2 -0.140 3.820 3.960 0.001 0.000 0.216 305 G HA3 -0.140 3.820 3.960 0.001 0.000 0.216 305 G C 1.500 176.452 174.900 0.086 0.000 1.171 305 G CA 0.610 45.750 45.100 0.067 0.000 0.775 305 G HN 0.388 nan 8.290 nan 0.000 0.543 306 L N 0.710 122.004 121.223 0.119 0.000 2.017 306 L HA 0.042 4.382 4.340 0.001 0.000 0.208 306 L C 2.825 179.838 176.870 0.239 0.000 1.073 306 L CA 2.279 57.221 54.840 0.170 0.000 0.745 306 L CB -0.573 41.580 42.059 0.156 0.000 0.894 306 L HN 0.285 nan 8.230 nan 0.000 0.432 307 R N -0.575 120.059 120.500 0.224 0.000 2.103 307 R HA -0.212 4.129 4.340 0.001 0.000 0.242 307 R C 2.088 178.442 176.300 0.089 0.000 1.142 307 R CA 1.622 57.730 56.100 0.015 0.000 0.960 307 R CB -0.427 29.789 30.300 -0.140 0.000 0.858 307 R HN 0.482 nan 8.270 nan 0.000 0.439 308 A N 1.434 124.290 122.820 0.059 0.000 1.877 308 A HA -0.153 4.167 4.320 0.001 0.000 0.216 308 A C 2.208 179.813 177.584 0.036 0.000 1.186 308 A CA 1.380 53.444 52.037 0.044 0.000 0.620 308 A CB -0.681 18.336 19.000 0.029 0.000 0.822 308 A HN 0.489 nan 8.150 nan 0.000 0.443 309 L N -0.577 120.655 121.223 0.015 0.000 2.017 309 L HA -0.131 4.209 4.340 0.001 0.000 0.208 309 L C 2.707 179.507 176.870 -0.117 0.000 1.073 309 L CA 1.741 56.545 54.840 -0.059 0.000 0.745 309 L CB -0.389 41.605 42.059 -0.108 0.000 0.894 309 L HN 0.362 nan 8.230 nan 0.000 0.432 310 A N 0.014 122.788 122.820 -0.077 0.000 1.978 310 A HA -0.167 4.153 4.320 0.001 0.000 0.220 310 A C 2.278 179.859 177.584 -0.005 0.000 1.170 310 A CA 1.537 53.522 52.037 -0.087 0.000 0.636 310 A CB -1.528 17.468 19.000 -0.007 0.000 0.810 310 A HN 0.591 nan 8.150 nan 0.000 0.448 311 G N -0.290 108.584 108.800 0.123 0.000 2.479 311 G HA2 -0.155 3.805 3.960 0.001 0.000 0.220 311 G HA3 -0.155 3.805 3.960 0.001 0.000 0.220 311 G C 1.434 176.368 174.900 0.056 0.000 1.115 311 G CA 0.954 46.164 45.100 0.184 0.000 0.757 311 G HN 0.477 nan 8.290 nan 0.000 0.560 312 L N -0.132 121.075 121.223 -0.027 0.000 2.191 312 L HA -0.045 4.296 4.340 0.001 0.000 0.212 312 L C 2.649 179.449 176.870 -0.117 0.000 1.103 312 L CA 0.405 55.208 54.840 -0.061 0.000 0.769 312 L CB -0.070 41.943 42.059 -0.076 0.000 0.908 312 L HN 0.146 nan 8.230 nan 0.000 0.438 313 V N -2.551 117.222 119.914 -0.235 0.000 2.922 313 V HA -0.101 4.020 4.120 0.001 0.000 0.242 313 V C 1.226 177.063 176.094 -0.429 0.000 1.094 313 V CA 0.825 62.864 62.300 -0.434 0.000 1.106 313 V CB -0.065 31.302 31.823 -0.761 0.000 0.799 313 V HN 0.279 nan 8.190 nan 0.000 0.474 314 Y N -0.568 119.700 120.300 -0.054 0.000 2.467 314 Y HA 0.385 4.935 4.550 0.001 0.000 0.250 314 Y C 1.149 177.155 175.900 0.177 0.000 1.155 314 Y CA -0.198 57.930 58.100 0.046 0.000 1.249 314 Y CB 0.270 38.719 38.460 -0.018 0.000 1.146 314 Y HN 0.314 nan 8.280 nan 0.000 0.524 315 N N -0.151 118.696 118.700 0.245 0.000 2.604 315 N HA 0.285 5.025 4.740 0.001 0.000 0.284 315 N C 0.607 176.165 175.510 0.080 0.000 1.716 315 N CA 0.544 53.703 53.050 0.181 0.000 0.859 315 N CB 0.070 38.690 38.487 0.223 0.000 1.403 315 N HN 0.065 nan 8.380 nan 0.000 0.501 316 A N -0.399 122.453 122.820 0.054 0.000 1.930 316 A HA -0.082 4.238 4.320 0.001 0.000 0.217 316 A C 2.012 179.608 177.584 0.019 0.000 1.175 316 A CA 1.920 53.972 52.037 0.024 0.000 0.627 316 A CB -0.488 18.520 19.000 0.014 0.000 0.815 316 A HN 0.505 nan 8.150 nan 0.000 0.443 317 S N -2.030 113.682 115.700 0.019 0.000 2.528 317 S HA 0.361 4.832 4.470 0.001 0.000 0.219 317 S C 1.427 176.023 174.600 -0.006 0.000 0.985 317 S CA 1.104 59.309 58.200 0.007 0.000 0.914 317 S CB -0.258 62.946 63.200 0.005 0.000 0.776 317 S HN 1.931 nan 8.310 nan 0.000 0.526 318 G N 1.221 110.016 108.800 -0.008 0.000 2.148 318 G HA2 -0.315 3.646 3.960 0.001 0.000 0.254 318 G HA3 -0.315 3.646 3.960 0.001 0.000 0.254 318 G C 0.829 175.684 174.900 -0.076 0.000 0.981 318 G CA 0.679 45.761 45.100 -0.030 0.000 0.670 318 G HN 1.266 nan 8.290 nan 0.000 0.528 319 S N -1.029 114.616 115.700 -0.091 0.000 2.503 319 S HA 0.292 4.763 4.470 0.001 0.000 0.215 319 S C 0.532 174.949 174.600 -0.304 0.000 1.003 319 S CA 0.208 58.306 58.200 -0.170 0.000 0.910 319 S CB 0.498 63.639 63.200 -0.097 0.000 0.790 319 S HN 0.388 nan 8.310 nan 0.000 0.514 320 E N 1.881 121.965 120.200 -0.193 0.000 2.257 320 E HA 0.194 4.544 4.350 0.001 0.000 0.278 320 E C -0.050 176.391 176.600 -0.265 0.000 1.049 320 E CA 0.033 56.322 56.400 -0.185 0.000 0.876 320 E CB 0.608 30.298 29.700 -0.016 0.000 1.035 320 E HN 0.584 nan 8.360 nan 0.000 0.419 321 H N 0.338 119.350 119.070 -0.097 0.000 2.482 321 H HA 0.023 4.579 4.556 0.001 0.000 0.286 321 H C 0.730 175.915 175.328 -0.240 0.000 1.017 321 H CA 0.695 56.654 56.048 -0.148 0.000 1.322 321 H CB 0.387 30.086 29.762 -0.106 0.000 1.426 321 H HN 0.592 nan 8.280 nan 0.000 0.546 322 c N -2.027 116.496 118.600 -0.128 0.000 3.241 322 c HA 0.475 5.045 4.570 0.001 0.000 0.312 322 c C -1.331 172.647 174.090 -0.187 0.000 1.350 322 c CA -1.554 54.629 56.329 -0.243 0.000 1.415 322 c CB 0.572 43.008 42.510 -0.123 0.000 1.770 322 c HN 0.089 nan 8.230 nan 0.000 0.466 323 Y N 0.946 121.172 120.300 -0.123 0.000 2.425 323 Y HA 0.373 4.923 4.550 0.001 0.000 0.347 323 Y C 0.645 176.415 175.900 -0.216 0.000 0.976 323 Y CA -0.114 57.868 58.100 -0.197 0.000 1.190 323 Y CB 0.292 38.516 38.460 -0.393 0.000 1.136 323 Y HN 0.718 nan 8.280 nan 0.000 0.517 324 D N 5.024 125.444 120.400 0.033 0.000 2.435 324 D HA 0.049 4.689 4.640 0.001 0.000 0.230 324 D C 1.241 177.491 176.300 -0.083 0.000 1.215 324 D CA 0.006 54.016 54.000 0.017 0.000 0.947 324 D CB 0.264 41.115 40.800 0.085 0.000 1.048 324 D HN 0.684 nan 8.370 nan 0.000 0.512 325 I N 0.663 121.085 120.570 -0.246 0.000 2.546 325 I HA -0.162 4.009 4.170 0.001 0.000 0.255 325 I C 1.028 177.026 176.117 -0.198 0.000 1.163 325 I CA 0.678 61.659 61.300 -0.531 0.000 1.457 325 I CB -0.329 37.251 38.000 -0.701 0.000 1.092 325 I HN 0.159 nan 8.210 nan 0.000 0.434 326 Y N 1.660 121.978 120.300 0.031 0.000 2.365 326 Y HA 0.069 4.619 4.550 0.001 0.000 0.293 326 Y C 3.130 179.170 175.900 0.234 0.000 1.119 326 Y CA 1.806 59.991 58.100 0.142 0.000 1.203 326 Y CB -0.391 38.131 38.460 0.102 0.000 1.026 326 Y HN 0.185 nan 8.280 nan 0.000 0.549 327 R N 0.230 120.916 120.500 0.310 0.000 2.173 327 R HA 0.173 4.513 4.340 0.001 0.000 0.208 327 R C 1.753 178.111 176.300 0.097 0.000 1.035 327 R CA 1.131 57.402 56.100 0.285 0.000 1.004 327 R CB -1.328 29.101 30.300 0.215 0.000 0.917 327 R HN 0.430 nan 8.270 nan 0.000 0.462 328 L N -1.757 119.534 121.223 0.113 0.000 2.307 328 L HA 0.279 4.619 4.340 0.001 0.000 0.211 328 L C 0.330 177.315 176.870 0.191 0.000 1.099 328 L CA 0.469 55.398 54.840 0.148 0.000 0.816 328 L CB 0.297 42.480 42.059 0.206 0.000 0.952 328 L HN 0.455 nan 8.230 nan 0.000 0.455 329 Y N -0.143 120.193 120.300 0.060 0.000 2.329 329 Y HA 0.358 4.909 4.550 0.001 0.000 0.328 329 Y C -0.680 175.309 175.900 0.148 0.000 0.992 329 Y CA -0.943 57.209 58.100 0.087 0.000 1.151 329 Y CB 0.800 39.371 38.460 0.184 0.000 1.150 329 Y HN 0.011 nan 8.280 nan 0.000 0.450 330 H N 3.296 122.167 119.070 -0.332 0.000 2.641 330 H HA 0.266 4.823 4.556 0.001 0.000 0.295 330 H C -0.234 174.875 175.328 -0.366 0.000 1.070 330 H CA -0.797 55.147 56.048 -0.174 0.000 1.257 330 H CB 1.334 31.075 29.762 -0.035 0.000 1.393 330 H HN 0.528 nan 8.280 nan 0.000 0.464 331 S N 3.574 119.281 115.700 0.011 0.000 2.481 331 S HA 0.173 4.644 4.470 0.001 0.000 0.282 331 S C 0.406 174.935 174.600 -0.118 0.000 1.243 331 S CA -0.665 57.540 58.200 0.008 0.000 1.078 331 S CB -0.705 62.581 63.200 0.144 0.000 0.916 331 S HN 0.736 nan 8.310 nan 0.000 0.495 332 c N 3.152 121.599 118.600 -0.254 0.000 3.256 332 c HA 0.920 5.490 4.570 0.001 0.000 0.361 332 c C 1.672 175.387 174.090 -0.624 0.000 1.665 332 c CA -0.210 55.894 56.329 -0.375 0.000 1.445 332 c CB 0.754 43.255 42.510 -0.015 0.000 2.144 332 c HN 0.809 nan 8.230 nan 0.000 0.448 333 A N -0.293 122.268 122.820 -0.432 0.000 2.239 333 A HA 0.154 4.475 4.320 0.001 0.000 0.209 333 A C 0.616 178.120 177.584 -0.134 0.000 1.171 333 A CA 1.448 53.387 52.037 -0.163 0.000 0.768 333 A CB -0.636 18.481 19.000 0.196 0.000 0.790 333 A HN 0.864 nan 8.150 nan 0.000 0.478 334 D N -0.192 120.123 120.400 -0.141 0.000 2.473 334 D HA 0.246 4.886 4.640 0.001 0.000 0.226 334 D C -1.876 174.395 176.300 -0.047 0.000 1.089 334 D CA -2.186 51.820 54.000 0.009 0.000 0.883 334 D CB 1.364 42.313 40.800 0.249 0.000 1.029 334 D HN 0.055 nan 8.370 nan 0.000 0.517 335 P HA -0.118 nan 4.420 nan 0.000 0.225 335 P C 1.136 178.541 177.300 0.175 0.000 1.148 335 P CA 0.936 64.000 63.100 -0.061 0.000 0.779 335 P CB -0.059 31.636 31.700 -0.009 0.000 0.780 336 T N -4.247 110.366 114.554 0.099 0.000 3.088 336 T HA 0.355 4.705 4.350 0.001 0.000 0.259 336 T C 0.919 175.748 174.700 0.215 0.000 1.122 336 T CA 0.408 62.538 62.100 0.051 0.000 1.095 336 T CB -0.662 67.982 68.868 -0.373 0.000 0.930 336 T HN 0.310 nan 8.240 nan 0.000 0.508 337 G N -1.124 107.815 108.800 0.233 0.000 2.841 337 G HA2 -0.012 3.948 3.960 0.001 0.000 0.684 337 G HA3 -0.012 3.948 3.960 0.001 0.000 0.684 337 G C 0.172 175.174 174.900 0.171 0.000 1.273 337 G CA -0.608 44.611 45.100 0.198 0.000 0.811 337 G HN 0.278 nan 8.290 nan 0.000 0.631 338 c N 1.692 120.365 118.600 0.120 0.000 2.735 338 c HA 0.676 5.246 4.570 0.001 0.000 0.271 338 c C 2.186 176.378 174.090 0.169 0.000 1.281 338 c CA 1.382 57.869 56.329 0.263 0.000 1.719 338 c CB -1.166 41.519 42.510 0.292 0.000 2.024 338 c HN 2.537 nan 8.230 nan 0.000 0.566 339 G N 1.139 109.980 108.800 0.069 0.000 2.527 339 G HA2 -0.020 3.940 3.960 0.001 0.000 0.227 339 G HA3 -0.020 3.940 3.960 0.001 0.000 0.227 339 G C -0.188 174.752 174.900 0.067 0.000 1.291 339 G CA 0.122 45.258 45.100 0.059 0.000 0.904 339 G HN 0.830 nan 8.290 nan 0.000 0.577 340 T N -2.599 112.015 114.554 0.100 0.000 2.865 340 T HA 0.942 5.293 4.350 0.001 0.000 0.294 340 T C 0.847 175.667 174.700 0.199 0.000 1.119 340 T CA 0.727 62.925 62.100 0.165 0.000 1.007 340 T CB 1.558 70.463 68.868 0.062 0.000 1.225 340 T HN 3.039 nan 8.240 nan 0.000 0.515 341 G N 1.513 110.452 108.800 0.232 0.000 2.710 341 G HA2 -0.009 3.951 3.960 0.001 0.000 0.668 341 G HA3 -0.009 3.951 3.960 0.001 0.000 0.668 341 G C -2.024 173.007 174.900 0.218 0.000 1.320 341 G CA -0.292 44.928 45.100 0.199 0.000 0.860 341 G HN 0.715 nan 8.290 nan 0.000 0.538 342 P HA -0.074 nan 4.420 nan 0.000 0.216 342 P C 1.068 178.499 177.300 0.220 0.000 1.150 342 P CA 1.905 65.122 63.100 0.196 0.000 0.843 342 P CB -0.045 31.751 31.700 0.160 0.000 0.787 343 D N -0.400 120.156 120.400 0.260 0.000 2.219 343 D HA -0.072 4.569 4.640 0.001 0.000 0.205 343 D C 2.052 178.612 176.300 0.434 0.000 0.970 343 D CA 1.365 55.596 54.000 0.385 0.000 0.851 343 D CB -0.605 40.448 40.800 0.421 0.000 0.943 343 D HN 0.138 nan 8.370 nan 0.000 0.488 344 A N 0.655 123.682 122.820 0.344 0.000 1.929 344 A HA -0.113 4.207 4.320 0.001 0.000 0.216 344 A C 2.174 179.993 177.584 0.392 0.000 1.176 344 A CA 0.854 53.108 52.037 0.362 0.000 0.628 344 A CB -0.224 18.957 19.000 0.302 0.000 0.816 344 A HN 0.081 nan 8.150 nan 0.000 0.444 345 R N -0.607 120.112 120.500 0.365 0.000 2.090 345 R HA -0.000 4.340 4.340 0.001 0.000 0.228 345 R C 2.488 178.921 176.300 0.222 0.000 1.110 345 R CA 1.043 57.414 56.100 0.451 0.000 0.973 345 R CB -0.377 30.233 30.300 0.516 0.000 0.869 345 R HN 0.499 nan 8.270 nan 0.000 0.440 346 A N 1.066 123.958 122.820 0.119 0.000 1.877 346 A HA -0.203 4.118 4.320 0.001 0.000 0.216 346 A C 1.901 179.549 177.584 0.106 0.000 1.186 346 A CA 0.997 52.976 52.037 -0.097 0.000 0.620 346 A CB -0.974 17.754 19.000 -0.453 0.000 0.822 346 A HN 0.619 nan 8.150 nan 0.000 0.443 347 W N 0.790 122.200 121.300 0.182 0.000 2.358 347 W HA -0.212 4.448 4.660 0.001 0.000 0.303 347 W C 1.599 178.149 176.519 0.053 0.000 1.208 347 W CA 2.021 59.462 57.345 0.159 0.000 1.274 347 W CB -0.240 29.324 29.460 0.173 0.000 1.138 347 W HN 0.506 nan 8.180 nan 0.000 0.515 348 D N -0.373 120.060 120.400 0.055 0.000 2.133 348 D HA -0.307 4.334 4.640 0.001 0.000 0.195 348 D C 1.933 178.094 176.300 -0.231 0.000 0.997 348 D CA 1.810 55.823 54.000 0.021 0.000 0.840 348 D CB -0.889 40.165 40.800 0.423 0.000 0.947 348 D HN 0.259 nan 8.370 nan 0.000 0.452 349 Y N 0.941 120.856 120.300 -0.641 0.000 2.181 349 Y HA -0.163 4.387 4.550 0.001 0.000 0.288 349 Y C 2.320 177.886 175.900 -0.556 0.000 1.146 349 Y CA 1.793 59.319 58.100 -0.955 0.000 1.164 349 Y CB -0.226 37.479 38.460 -1.258 0.000 0.982 349 Y HN 0.057 nan 8.280 nan 0.000 0.515 350 Q N -0.182 119.346 119.800 -0.453 0.000 2.061 350 Q HA -0.220 4.120 4.340 0.001 0.000 0.204 350 Q C 2.439 178.053 176.000 -0.645 0.000 0.984 350 Q CA 1.558 57.041 55.803 -0.533 0.000 0.846 350 Q CB -0.466 27.960 28.738 -0.520 0.000 0.902 350 Q HN 0.600 nan 8.270 nan 0.000 0.421 351 A N -0.220 122.136 122.820 -0.773 0.000 2.121 351 A HA -0.124 4.196 4.320 0.001 0.000 0.218 351 A C 1.950 179.375 177.584 -0.265 0.000 1.154 351 A CA 0.788 52.513 52.037 -0.521 0.000 0.679 351 A CB -0.384 18.323 19.000 -0.488 0.000 0.795 351 A HN 0.453 nan 8.150 nan 0.000 0.458 352 c N -0.991 117.427 118.600 -0.305 0.000 2.791 352 c HA 0.193 4.763 4.570 0.001 0.000 0.270 352 c C 2.392 176.300 174.090 -0.304 0.000 1.257 352 c CA 1.107 57.317 56.329 -0.197 0.000 1.699 352 c CB -1.029 41.421 42.510 -0.099 0.000 1.904 352 c HN 0.817 nan 8.230 nan 0.000 0.603 353 T N -3.099 111.225 114.554 -0.384 0.000 3.361 353 T HA 0.147 4.497 4.350 0.001 0.000 0.241 353 T C 1.315 175.918 174.700 -0.161 0.000 0.998 353 T CA 0.217 62.118 62.100 -0.331 0.000 1.215 353 T CB 0.030 68.578 68.868 -0.533 0.000 1.196 353 T HN 0.350 nan 8.240 nan 0.000 0.376 354 E N 0.499 120.623 120.200 -0.127 0.000 2.290 354 E HA 0.279 4.629 4.350 0.001 0.000 0.199 354 E C -0.020 176.584 176.600 0.006 0.000 0.912 354 E CA 0.017 56.444 56.400 0.046 0.000 0.924 354 E CB 0.539 30.341 29.700 0.170 0.000 0.901 354 E HN 0.375 nan 8.360 nan 0.000 0.487 355 I N 3.439 123.936 120.570 -0.121 0.000 2.322 355 I HA 0.123 4.293 4.170 0.001 0.000 0.292 355 I C -0.394 175.662 176.117 -0.101 0.000 1.060 355 I CA -0.201 61.025 61.300 -0.124 0.000 1.309 355 I CB -0.018 37.775 38.000 -0.345 0.000 1.415 355 I HN -0.046 nan 8.210 nan 0.000 0.492 356 N N 8.448 127.130 118.700 -0.031 0.000 2.437 356 N HA 0.308 5.048 4.740 0.001 0.000 0.243 356 N C -0.252 175.233 175.510 -0.042 0.000 1.041 356 N CA -0.219 52.803 53.050 -0.048 0.000 0.940 356 N CB 1.925 40.379 38.487 -0.054 0.000 1.133 356 N HN 0.495 nan 8.380 nan 0.000 0.506 357 L N 1.618 122.837 121.223 -0.007 0.000 2.839 357 L HA 0.193 4.533 4.340 0.001 0.000 0.259 357 L C 0.688 177.589 176.870 0.052 0.000 1.369 357 L CA -0.415 54.434 54.840 0.015 0.000 0.845 357 L CB 0.267 42.473 42.059 0.244 0.000 1.181 357 L HN 0.354 nan 8.230 nan 0.000 0.529 358 T N -3.013 111.457 114.554 -0.139 0.000 3.843 358 T HA 0.301 4.652 4.350 0.001 0.000 0.227 358 T C -0.052 174.656 174.700 0.012 0.000 1.043 358 T CA -0.210 61.889 62.100 -0.002 0.000 1.012 358 T CB -0.867 67.890 68.868 -0.185 0.000 1.279 358 T HN -0.065 nan 8.240 nan 0.000 0.730 359 F N 1.909 122.011 119.950 0.254 0.000 2.410 359 F HA 0.625 5.152 4.527 0.001 0.000 0.348 359 F C 0.735 176.711 175.800 0.293 0.000 1.106 359 F CA -1.192 56.927 58.000 0.199 0.000 1.163 359 F CB 0.880 39.914 39.000 0.057 0.000 1.129 359 F HN 0.490 nan 8.300 nan 0.000 0.516 360 A N 2.034 125.150 122.820 0.494 0.000 2.356 360 A HA 0.760 5.080 4.320 0.001 0.000 0.323 360 A C -0.575 177.197 177.584 0.314 0.000 1.119 360 A CA -0.562 51.666 52.037 0.319 0.000 0.790 360 A CB 1.037 20.153 19.000 0.194 0.000 1.273 360 A HN 0.718 nan 8.150 nan 0.000 0.452 361 S N 0.205 115.926 115.700 0.035 0.000 2.537 361 S HA 0.577 5.047 4.470 0.001 0.000 0.301 361 S C -0.073 174.491 174.600 -0.061 0.000 1.092 361 S CA -0.240 57.925 58.200 -0.058 0.000 1.048 361 S CB 1.357 64.331 63.200 -0.376 0.000 1.053 361 S HN 0.932 nan 8.310 nan 0.000 0.501 362 N N 0.506 119.178 118.700 -0.047 0.000 2.082 362 N HA 0.107 4.847 4.740 0.001 0.000 0.228 362 N C 0.165 175.621 175.510 -0.090 0.000 1.341 362 N CA 0.119 53.137 53.050 -0.053 0.000 0.873 362 N CB -0.456 38.026 38.487 -0.008 0.000 1.137 362 N HN 0.699 nan 8.380 nan 0.000 0.505 363 N N -1.023 117.598 118.700 -0.131 0.000 2.828 363 N HA -0.179 4.561 4.740 0.001 0.000 0.248 363 N C -0.372 175.067 175.510 -0.118 0.000 1.044 363 N CA 1.195 54.145 53.050 -0.166 0.000 0.851 363 N CB -1.188 37.192 38.487 -0.179 0.000 1.136 363 N HN 0.211 nan 8.380 nan 0.000 0.572 364 V N -1.765 118.099 119.914 -0.084 0.000 3.029 364 V HA 0.137 4.257 4.120 0.001 0.000 0.230 364 V C 1.920 177.980 176.094 -0.057 0.000 1.254 364 V CA 1.443 63.706 62.300 -0.061 0.000 1.276 364 V CB 0.186 31.987 31.823 -0.038 0.000 1.080 364 V HN 0.561 nan 8.190 nan 0.000 0.495 365 T N -0.582 113.949 114.554 -0.039 0.000 3.107 365 T HA 0.195 4.545 4.350 0.001 0.000 0.249 365 T C 0.068 174.743 174.700 -0.042 0.000 1.096 365 T CA 0.408 62.491 62.100 -0.027 0.000 1.012 365 T CB -0.406 68.466 68.868 0.006 0.000 0.977 365 T HN 0.679 nan 8.240 nan 0.000 0.527 366 D N -0.012 120.340 120.400 -0.080 0.000 2.596 366 D HA 0.357 4.997 4.640 0.001 0.000 0.262 366 D C 0.929 177.039 176.300 -0.317 0.000 1.210 366 D CA -1.125 52.788 54.000 -0.145 0.000 0.873 366 D CB 0.809 41.620 40.800 0.017 0.000 1.408 366 D HN 0.068 nan 8.370 nan 0.000 0.441 367 M N -0.955 118.275 119.600 -0.616 0.000 2.618 367 M HA 0.313 4.793 4.480 0.001 0.000 0.240 367 M C -1.016 174.744 176.300 -0.901 0.000 1.123 367 M CA 0.066 54.931 55.300 -0.725 0.000 1.060 367 M CB -0.383 31.761 32.600 -0.761 0.000 1.535 367 M HN 0.133 nan 8.290 nan 0.000 0.507 368 F N 1.346 120.985 119.950 -0.518 0.000 2.450 368 F HA 0.667 5.195 4.527 0.001 0.000 0.328 368 F C -2.212 173.106 175.800 -0.804 0.000 1.068 368 F CA -2.757 54.715 58.000 -0.879 0.000 1.007 368 F CB -0.271 38.202 39.000 -0.880 0.000 1.251 368 F HN -0.143 nan 8.300 nan 0.000 0.492 369 P HA -0.030 nan 4.420 nan 0.000 0.270 369 P C -0.994 176.075 177.300 -0.384 0.000 1.227 369 P CA -0.155 62.527 63.100 -0.696 0.000 0.788 369 P CB 0.405 31.404 31.700 -1.168 0.000 0.926 370 D N 1.133 121.394 120.400 -0.232 0.000 2.348 370 D HA 0.145 4.785 4.640 0.001 0.000 0.259 370 D C -0.832 175.411 176.300 -0.094 0.000 1.296 370 D CA 0.339 54.263 54.000 -0.126 0.000 0.931 370 D CB -0.676 40.085 40.800 -0.066 0.000 1.067 370 D HN 0.150 nan 8.370 nan 0.000 0.503 371 L N 6.643 127.802 121.223 -0.107 0.000 2.470 371 L HA 0.382 4.723 4.340 0.001 0.000 0.253 371 L C -2.113 174.760 176.870 0.005 0.000 1.163 371 L CA -1.759 53.038 54.840 -0.072 0.000 0.932 371 L CB 1.390 43.349 42.059 -0.166 0.000 1.213 371 L HN 0.318 nan 8.230 nan 0.000 0.485 372 P HA 0.103 nan 4.420 nan 0.000 0.271 372 P C -0.989 176.441 177.300 0.216 0.000 1.218 372 P CA -0.083 63.078 63.100 0.102 0.000 0.780 372 P CB 1.082 32.821 31.700 0.065 0.000 0.901 373 F N 2.427 122.392 119.950 0.025 0.000 2.902 373 F HA 0.270 4.797 4.527 0.001 0.000 0.368 373 F C -0.146 175.652 175.800 -0.003 0.000 1.202 373 F CA -0.232 57.777 58.000 0.015 0.000 1.109 373 F CB 0.649 39.670 39.000 0.035 0.000 1.418 373 F HN 0.262 nan 8.300 nan 0.000 0.527 374 T N 0.107 114.470 114.554 -0.319 0.000 2.936 374 T HA 0.290 4.640 4.350 0.001 0.000 0.282 374 T C 0.952 175.353 174.700 -0.498 0.000 1.003 374 T CA -0.625 61.281 62.100 -0.323 0.000 1.005 374 T CB 1.407 70.180 68.868 -0.158 0.000 1.097 374 T HN 0.414 nan 8.240 nan 0.000 0.532 375 D N 0.655 120.848 120.400 -0.345 0.000 2.178 375 D HA -0.086 4.554 4.640 0.001 0.000 0.201 375 D C 2.413 178.533 176.300 -0.300 0.000 0.980 375 D CA 1.746 55.542 54.000 -0.339 0.000 0.842 375 D CB -0.320 40.334 40.800 -0.245 0.000 0.948 375 D HN 0.890 nan 8.370 nan 0.000 0.472 376 E N 1.413 121.492 120.200 -0.203 0.000 2.051 376 E HA -0.135 4.216 4.350 0.001 0.000 0.192 376 E C 2.326 178.858 176.600 -0.114 0.000 0.991 376 E CA 0.692 57.018 56.400 -0.123 0.000 0.799 376 E CB -1.008 28.658 29.700 -0.056 0.000 0.748 376 E HN 0.251 nan 8.360 nan 0.000 0.449 377 L N -0.582 120.556 121.223 -0.142 0.000 2.046 377 L HA -0.152 4.188 4.340 0.001 0.000 0.208 377 L C 3.030 179.865 176.870 -0.058 0.000 1.077 377 L CA 1.838 56.638 54.840 -0.065 0.000 0.747 377 L CB -0.323 41.719 42.059 -0.028 0.000 0.896 377 L HN 0.313 nan 8.230 nan 0.000 0.432 378 R N 0.089 120.382 120.500 -0.345 0.000 2.083 378 R HA -0.218 4.123 4.340 0.001 0.000 0.237 378 R C 2.341 178.599 176.300 -0.070 0.000 1.137 378 R CA 1.840 57.814 56.100 -0.210 0.000 0.951 378 R CB -0.156 29.866 30.300 -0.464 0.000 0.851 378 R HN 0.420 nan 8.270 nan 0.000 0.434 379 Q N -0.738 118.921 119.800 -0.235 0.000 2.061 379 Q HA -0.232 4.109 4.340 0.001 0.000 0.204 379 Q C 2.557 178.534 176.000 -0.038 0.000 0.984 379 Q CA 2.768 58.386 55.803 -0.309 0.000 0.846 379 Q CB -0.299 28.104 28.738 -0.558 0.000 0.902 379 Q HN 0.422 nan 8.270 nan 0.000 0.421 380 R N 0.326 120.844 120.500 0.030 0.000 2.073 380 R HA -0.204 4.137 4.340 0.001 0.000 0.234 380 R C 1.882 178.254 176.300 0.121 0.000 1.134 380 R CA 1.860 58.017 56.100 0.095 0.000 0.952 380 R CB -1.874 28.483 30.300 0.095 0.000 0.850 380 R HN 0.519 nan 8.270 nan 0.000 0.433 381 Y N 0.490 120.828 120.300 0.065 0.000 2.145 381 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 381 Y C 2.608 178.570 175.900 0.103 0.000 1.145 381 Y CA 1.605 59.765 58.100 0.100 0.000 1.148 381 Y CB -0.613 37.952 38.460 0.175 0.000 0.981 381 Y HN 0.322 nan 8.280 nan 0.000 0.507 382 c N 0.195 118.872 118.600 0.128 0.000 2.440 382 c HA -0.108 4.462 4.570 0.001 0.000 0.278 382 c C 2.773 176.894 174.090 0.053 0.000 1.295 382 c CA 0.940 57.327 56.329 0.097 0.000 1.738 382 c CB -1.438 41.152 42.510 0.134 0.000 1.987 382 c HN 0.604 nan 8.230 nan 0.000 0.492 383 L N 1.214 122.474 121.223 0.062 0.000 2.056 383 L HA -0.075 4.265 4.340 0.001 0.000 0.207 383 L C 2.669 179.541 176.870 0.004 0.000 1.078 383 L CA 2.221 57.115 54.840 0.090 0.000 0.749 383 L CB -1.037 41.117 42.059 0.158 0.000 0.901 383 L HN 0.525 nan 8.230 nan 0.000 0.433 384 D N -1.456 118.904 120.400 -0.066 0.000 2.224 384 D HA -0.109 4.531 4.640 0.001 0.000 0.205 384 D C 2.101 178.258 176.300 -0.238 0.000 0.965 384 D CA 1.688 55.616 54.000 -0.120 0.000 0.852 384 D CB -0.376 40.361 40.800 -0.104 0.000 0.947 384 D HN 0.347 nan 8.370 nan 0.000 0.494 385 T N -2.222 112.100 114.554 -0.386 0.000 3.021 385 T HA 0.123 4.473 4.350 0.001 0.000 0.245 385 T C 1.221 175.495 174.700 -0.710 0.000 1.028 385 T CA 0.559 62.262 62.100 -0.662 0.000 1.139 385 T CB -0.075 68.181 68.868 -1.021 0.000 0.884 385 T HN 0.709 nan 8.240 nan 0.000 0.457 386 W N 0.494 121.751 121.300 -0.071 0.000 2.871 386 W HA 0.460 5.120 4.660 0.001 0.000 0.340 386 W C 1.362 177.923 176.519 0.069 0.000 1.058 386 W CA -0.341 57.035 57.345 0.053 0.000 1.633 386 W CB 0.571 30.125 29.460 0.158 0.000 1.067 386 W HN 0.335 nan 8.180 nan 0.000 0.554 387 G N 1.974 110.884 108.800 0.182 0.000 2.246 387 G HA2 -0.141 3.820 3.960 0.001 0.000 0.273 387 G HA3 -0.141 3.820 3.960 0.001 0.000 0.273 387 G C -0.313 174.699 174.900 0.187 0.000 1.055 387 G CA 0.402 45.589 45.100 0.146 0.000 0.851 387 G HN 0.533 nan 8.290 nan 0.000 0.500 388 V N -4.335 115.706 119.914 0.211 0.000 2.962 388 V HA 0.854 4.974 4.120 0.001 0.000 0.313 388 V C -0.009 176.213 176.094 0.213 0.000 1.099 388 V CA -1.846 60.566 62.300 0.187 0.000 0.971 388 V CB 2.184 34.074 31.823 0.112 0.000 1.028 388 V HN 0.573 nan 8.190 nan 0.000 0.430 389 W N 4.143 125.438 121.300 -0.009 0.000 2.314 389 W HA 0.562 5.222 4.660 0.001 0.000 0.310 389 W C -2.696 173.797 176.519 -0.044 0.000 1.075 389 W CA -2.144 55.190 57.345 -0.019 0.000 1.253 389 W CB 1.965 31.413 29.460 -0.020 0.000 1.238 389 W HN 0.525 nan 8.180 nan 0.000 0.440 390 P HA 0.033 nan 4.420 nan 0.000 0.267 390 P C -0.831 176.334 177.300 -0.225 0.000 1.200 390 P CA 0.555 63.482 63.100 -0.288 0.000 0.772 390 P CB 0.512 31.997 31.700 -0.358 0.000 0.855 391 R N 3.844 124.297 120.500 -0.077 0.000 2.505 391 R HA 0.233 4.573 4.340 0.001 0.000 0.284 391 R C -1.887 174.447 176.300 0.057 0.000 1.324 391 R CA -1.331 54.788 56.100 0.030 0.000 1.432 391 R CB 0.742 31.084 30.300 0.070 0.000 1.107 391 R HN 0.361 nan 8.270 nan 0.000 0.587 392 P HA -0.136 nan 4.420 nan 0.000 0.230 392 P C 0.341 177.665 177.300 0.040 0.000 1.158 392 P CA 0.961 64.055 63.100 -0.010 0.000 0.769 392 P CB 0.272 31.931 31.700 -0.068 0.000 0.807 393 D N -2.112 118.339 120.400 0.086 0.000 2.346 393 D HA -0.124 4.517 4.640 0.001 0.000 0.206 393 D C 1.784 178.163 176.300 0.131 0.000 1.001 393 D CA 0.004 54.058 54.000 0.091 0.000 0.871 393 D CB -1.200 39.657 40.800 0.094 0.000 0.943 393 D HN 0.292 nan 8.370 nan 0.000 0.518 394 W N 1.322 122.616 121.300 -0.010 0.000 2.355 394 W HA -0.133 4.528 4.660 0.001 0.000 0.309 394 W C 1.583 178.096 176.519 -0.011 0.000 1.206 394 W CA 0.273 57.606 57.345 -0.020 0.000 1.284 394 W CB -0.171 29.274 29.460 -0.024 0.000 1.145 394 W HN -0.036 nan 8.180 nan 0.000 0.502 395 L N 1.057 122.204 121.223 -0.127 0.000 2.083 395 L HA -0.218 4.122 4.340 0.001 0.000 0.209 395 L C 2.566 179.342 176.870 -0.156 0.000 1.083 395 L CA 1.492 56.250 54.840 -0.136 0.000 0.752 395 L CB -1.205 40.916 42.059 0.102 0.000 0.899 395 L HN 0.048 nan 8.230 nan 0.000 0.433 396 L N -1.389 119.775 121.223 -0.098 0.000 2.056 396 L HA -0.170 4.170 4.340 0.001 0.000 0.207 396 L C 2.317 179.098 176.870 -0.148 0.000 1.078 396 L CA 2.298 57.103 54.840 -0.059 0.000 0.749 396 L CB -1.007 41.045 42.059 -0.012 0.000 0.901 396 L HN 0.271 nan 8.230 nan 0.000 0.433 397 T N -1.395 113.001 114.554 -0.263 0.000 2.652 397 T HA -0.212 4.138 4.350 0.001 0.000 0.267 397 T C 2.049 176.414 174.700 -0.559 0.000 1.039 397 T CA 1.824 63.716 62.100 -0.347 0.000 1.153 397 T CB -0.491 68.186 68.868 -0.318 0.000 0.863 397 T HN 0.422 nan 8.240 nan 0.000 0.428 398 S N -0.100 114.962 115.700 -1.064 0.000 2.371 398 S HA 0.043 4.514 4.470 0.001 0.000 0.224 398 S C 0.926 174.902 174.600 -1.041 0.000 1.029 398 S CA 0.816 58.211 58.200 -1.341 0.000 0.978 398 S CB -0.222 61.737 63.200 -2.068 0.000 0.833 398 S HN 0.469 nan 8.310 nan 0.000 0.466 399 F N -0.677 119.037 119.950 -0.393 0.000 2.735 399 F HA 0.328 4.856 4.527 0.001 0.000 0.308 399 F C -0.197 175.483 175.800 -0.200 0.000 1.112 399 F CA -0.818 56.855 58.000 -0.546 0.000 1.235 399 F CB 0.378 38.757 39.000 -1.034 0.000 1.027 399 F HN 0.148 nan 8.300 nan 0.000 0.528 400 W N -0.777 120.470 121.300 -0.087 0.000 1.440 400 W HA -0.240 4.420 4.660 0.001 0.000 0.242 400 W C 1.550 178.066 176.519 -0.004 0.000 0.991 400 W CA 0.308 57.627 57.345 -0.044 0.000 0.407 400 W CB -1.896 27.562 29.460 -0.003 0.000 1.999 400 W HN 0.450 nan 8.180 nan 0.000 1.219 401 G N 0.463 109.393 108.800 0.216 0.000 2.672 401 G HA2 -0.238 3.722 3.960 0.001 0.000 0.332 401 G HA3 -0.238 3.722 3.960 0.001 0.000 0.332 401 G C 1.245 176.224 174.900 0.132 0.000 1.213 401 G CA 2.634 47.821 45.100 0.146 0.000 0.980 401 G HN 1.360 nan 8.290 nan 0.000 0.548 402 G N -0.178 108.677 108.800 0.091 0.000 2.986 402 G HA2 0.341 4.301 3.960 0.001 0.000 0.213 402 G HA3 0.341 4.301 3.960 0.001 0.000 0.213 402 G C 0.470 175.418 174.900 0.079 0.000 1.156 402 G CA 1.266 46.398 45.100 0.054 0.000 0.763 402 G HN 0.746 nan 8.290 nan 0.000 0.547 403 D N 1.149 121.620 120.400 0.119 0.000 2.558 403 D HA 0.199 4.839 4.640 0.001 0.000 0.221 403 D C 0.982 177.409 176.300 0.212 0.000 1.143 403 D CA -0.328 53.733 54.000 0.103 0.000 1.010 403 D CB -0.140 40.677 40.800 0.028 0.000 1.068 403 D HN 0.121 nan 8.370 nan 0.000 0.511 404 L N 2.645 124.005 121.223 0.229 0.000 2.848 404 L HA 0.314 4.654 4.340 0.001 0.000 0.240 404 L C 2.109 179.124 176.870 0.242 0.000 1.232 404 L CA -0.358 54.693 54.840 0.352 0.000 1.031 404 L CB 0.114 42.355 42.059 0.303 0.000 1.338 404 L HN 0.091 nan 8.230 nan 0.000 0.509 405 R N 1.011 121.592 120.500 0.135 0.000 2.127 405 R HA -0.115 4.226 4.340 0.001 0.000 0.238 405 R C 2.119 178.464 176.300 0.074 0.000 1.134 405 R CA 1.521 57.668 56.100 0.078 0.000 0.975 405 R CB -0.089 30.224 30.300 0.022 0.000 0.865 405 R HN 0.441 nan 8.270 nan 0.000 0.447 406 A N 0.362 123.219 122.820 0.062 0.000 2.218 406 A HA 0.325 4.646 4.320 0.001 0.000 0.209 406 A C 0.842 178.539 177.584 0.189 0.000 1.168 406 A CA 0.263 52.323 52.037 0.039 0.000 0.804 406 A CB 0.127 19.039 19.000 -0.145 0.000 0.834 406 A HN 0.305 nan 8.150 nan 0.000 0.482 407 A N 0.185 123.200 122.820 0.325 0.000 2.272 407 A HA 0.672 4.992 4.320 0.001 0.000 0.275 407 A C 0.435 178.094 177.584 0.126 0.000 1.096 407 A CA 0.343 52.554 52.037 0.290 0.000 0.822 407 A CB 0.285 19.468 19.000 0.305 0.000 1.088 407 A HN 1.172 nan 8.150 nan 0.000 0.495 408 S N -0.441 115.275 115.700 0.028 0.000 2.547 408 S HA 0.539 5.010 4.470 0.001 0.000 0.270 408 S C -0.771 173.705 174.600 -0.206 0.000 1.150 408 S CA -0.840 57.336 58.200 -0.040 0.000 0.850 408 S CB 1.018 64.198 63.200 -0.033 0.000 1.118 408 S HN 1.019 nan 8.310 nan 0.000 0.461 409 N N -0.095 118.457 118.700 -0.246 0.000 2.727 409 N HA -0.123 4.617 4.740 0.001 0.000 0.251 409 N C -1.184 173.799 175.510 -0.879 0.000 1.040 409 N CA 1.169 53.776 53.050 -0.738 0.000 0.712 409 N CB -1.631 36.067 38.487 -1.314 0.000 0.912 409 N HN 0.776 nan 8.380 nan 0.000 0.545 410 I N 0.192 120.597 120.570 -0.276 0.000 2.533 410 I HA 0.439 4.609 4.170 0.001 0.000 0.290 410 I C 0.157 176.256 176.117 -0.030 0.000 1.056 410 I CA -0.784 60.341 61.300 -0.292 0.000 1.057 410 I CB 1.805 39.534 38.000 -0.452 0.000 1.240 410 I HN -0.062 nan 8.210 nan 0.000 0.423 411 I N 5.613 126.174 120.570 -0.015 0.000 2.330 411 I HA 0.305 4.476 4.170 0.001 0.000 0.289 411 I C -0.955 175.008 176.117 -0.256 0.000 1.001 411 I CA -0.318 60.960 61.300 -0.037 0.000 1.193 411 I CB 0.865 38.872 38.000 0.012 0.000 1.345 411 I HN 0.327 nan 8.210 nan 0.000 0.461 412 F N 5.004 124.969 119.950 0.025 0.000 2.334 412 F HA 0.320 4.847 4.527 0.001 0.000 0.367 412 F C 0.777 176.586 175.800 0.015 0.000 1.115 412 F CA -0.481 57.521 58.000 0.004 0.000 1.116 412 F CB 1.206 40.215 39.000 0.014 0.000 1.230 412 F HN 0.387 nan 8.300 nan 0.000 0.484 413 S N 3.703 119.488 115.700 0.142 0.000 2.608 413 S HA 0.678 5.149 4.470 0.001 0.000 0.291 413 S C -0.670 174.003 174.600 0.122 0.000 1.146 413 S CA -0.783 57.480 58.200 0.104 0.000 1.043 413 S CB 1.868 65.098 63.200 0.050 0.000 1.037 413 S HN 0.579 nan 8.310 nan 0.000 0.520 414 N N -0.235 118.529 118.700 0.106 0.000 2.484 414 N HA 0.427 5.167 4.740 0.001 0.000 0.269 414 N C -0.975 174.587 175.510 0.088 0.000 1.237 414 N CA -0.659 52.461 53.050 0.115 0.000 0.838 414 N CB 2.232 40.796 38.487 0.128 0.000 1.593 414 N HN 0.910 nan 8.380 nan 0.000 0.485 415 G N 0.291 109.147 108.800 0.093 0.000 2.348 415 G HA2 0.113 4.074 3.960 0.001 0.000 0.312 415 G HA3 0.113 4.074 3.960 0.001 0.000 0.312 415 G C 1.075 176.002 174.900 0.044 0.000 1.126 415 G CA -0.435 44.702 45.100 0.062 0.000 0.865 415 G HN 0.664 nan 8.290 nan 0.000 0.474 416 N N 2.304 121.016 118.700 0.020 0.000 2.364 416 N HA -0.126 4.614 4.740 0.001 0.000 0.183 416 N C 1.584 177.081 175.510 -0.022 0.000 1.022 416 N CA 0.853 53.904 53.050 0.003 0.000 0.883 416 N CB -0.178 38.308 38.487 -0.003 0.000 0.965 416 N HN 0.490 nan 8.380 nan 0.000 0.438 417 L N -0.550 120.652 121.223 -0.034 0.000 2.554 417 L HA 0.118 4.458 4.340 0.001 0.000 0.226 417 L C 0.297 177.119 176.870 -0.081 0.000 1.137 417 L CA 0.067 54.863 54.840 -0.073 0.000 0.863 417 L CB -0.497 41.501 42.059 -0.101 0.000 0.985 417 L HN 0.000 nan 8.230 nan 0.000 0.451 418 D N 1.201 121.585 120.400 -0.026 0.000 2.316 418 D HA 0.113 4.754 4.640 0.001 0.000 0.245 418 D C -1.379 174.880 176.300 -0.068 0.000 1.171 418 D CA -2.341 51.669 54.000 0.016 0.000 0.856 418 D CB 1.519 42.429 40.800 0.183 0.000 1.090 418 D HN -0.136 nan 8.370 nan 0.000 0.476 419 P HA -0.113 nan 4.420 nan 0.000 0.222 419 P C 1.102 178.139 177.300 -0.438 0.000 1.147 419 P CA 0.903 63.640 63.100 -0.604 0.000 0.790 419 P CB 0.028 30.936 31.700 -1.320 0.000 0.780 420 W N 0.403 121.705 121.300 0.003 0.000 2.595 420 W HA 0.131 4.791 4.660 0.001 0.000 0.257 420 W C 2.556 179.162 176.519 0.144 0.000 1.267 420 W CA 0.624 58.077 57.345 0.179 0.000 1.300 420 W CB -0.722 28.877 29.460 0.233 0.000 1.120 420 W HN -0.035 nan 8.180 nan 0.000 0.618 421 A N 0.385 123.366 122.820 0.268 0.000 1.933 421 A HA -0.101 4.220 4.320 0.001 0.000 0.218 421 A C 2.261 179.934 177.584 0.149 0.000 1.175 421 A CA 1.835 53.989 52.037 0.194 0.000 0.628 421 A CB -1.409 17.660 19.000 0.116 0.000 0.814 421 A HN 0.304 nan 8.150 nan 0.000 0.444 422 G N -0.816 108.044 108.800 0.099 0.000 2.470 422 G HA2 0.087 4.048 3.960 0.001 0.000 0.220 422 G HA3 0.087 4.048 3.960 0.001 0.000 0.220 422 G C 1.227 176.217 174.900 0.150 0.000 1.121 422 G CA 1.046 46.198 45.100 0.087 0.000 0.766 422 G HN 0.755 nan 8.290 nan 0.000 0.553 423 G N -0.287 108.658 108.800 0.242 0.000 2.985 423 G HA2 0.456 4.416 3.960 0.001 0.000 0.209 423 G HA3 0.456 4.416 3.960 0.001 0.000 0.209 423 G C 0.675 175.714 174.900 0.231 0.000 1.165 423 G CA 0.582 45.867 45.100 0.308 0.000 0.776 423 G HN 0.640 nan 8.290 nan 0.000 0.541 424 G N -0.366 108.534 108.800 0.166 0.000 3.075 424 G HA2 0.505 4.465 3.960 0.001 0.000 0.253 424 G HA3 0.505 4.465 3.960 0.001 0.000 0.253 424 G C -0.710 174.173 174.900 -0.029 0.000 1.353 424 G CA -0.828 44.321 45.100 0.081 0.000 1.051 424 G HN -0.030 nan 8.290 nan 0.000 0.553 425 I N 1.274 121.744 120.570 -0.166 0.000 2.352 425 I HA 0.345 4.515 4.170 0.001 0.000 0.290 425 I C 0.494 176.575 176.117 -0.059 0.000 1.036 425 I CA -0.425 60.727 61.300 -0.247 0.000 1.336 425 I CB 1.426 38.984 38.000 -0.737 0.000 1.407 425 I HN 0.406 nan 8.210 nan 0.000 0.497 426 R N 5.462 125.949 120.500 -0.021 0.000 2.437 426 R HA 0.193 4.533 4.340 0.001 0.000 0.257 426 R C 0.269 176.587 176.300 0.031 0.000 0.927 426 R CA -0.049 56.065 56.100 0.024 0.000 1.078 426 R CB 0.308 30.623 30.300 0.026 0.000 1.161 426 R HN 0.663 nan 8.270 nan 0.000 0.529 427 R N -0.266 120.248 120.500 0.023 0.000 2.771 427 R HA 0.435 4.776 4.340 0.001 0.000 0.274 427 R C -1.010 175.322 176.300 0.053 0.000 0.987 427 R CA -0.923 55.199 56.100 0.036 0.000 0.908 427 R CB 0.633 30.948 30.300 0.025 0.000 1.213 427 R HN -0.312 nan 8.270 nan 0.000 0.468 428 N N 1.473 120.213 118.700 0.066 0.000 2.412 428 N HA 0.026 4.767 4.740 0.001 0.000 0.254 428 N C 0.276 175.830 175.510 0.074 0.000 1.232 428 N CA 0.069 53.170 53.050 0.085 0.000 0.880 428 N CB 0.588 39.120 38.487 0.075 0.000 1.076 428 N HN 0.627 nan 8.380 nan 0.000 0.458 429 L N -0.175 121.106 121.223 0.096 0.000 2.575 429 L HA 0.161 4.502 4.340 0.001 0.000 0.228 429 L C 0.670 177.590 176.870 0.083 0.000 1.075 429 L CA 0.231 55.120 54.840 0.082 0.000 0.867 429 L CB 0.045 42.160 42.059 0.094 0.000 1.097 429 L HN 0.652 nan 8.230 nan 0.000 0.485 430 S N -2.391 113.366 115.700 0.096 0.000 2.672 430 S HA 0.529 5.000 4.470 0.001 0.000 0.271 430 S C 0.548 175.200 174.600 0.087 0.000 1.171 430 S CA -0.140 58.110 58.200 0.084 0.000 0.817 430 S CB 1.351 64.604 63.200 0.088 0.000 1.150 430 S HN -0.077 nan 8.310 nan 0.000 0.478 431 A N 1.202 124.068 122.820 0.076 0.000 1.986 431 A HA 0.016 4.336 4.320 0.001 0.000 0.220 431 A C 2.023 179.670 177.584 0.105 0.000 1.171 431 A CA 2.456 54.539 52.037 0.078 0.000 0.640 431 A CB -1.191 17.849 19.000 0.066 0.000 0.811 431 A HN 1.704 nan 8.150 nan 0.000 0.451 432 S N -2.377 113.396 115.700 0.122 0.000 2.603 432 S HA 0.361 4.831 4.470 0.001 0.000 0.232 432 S C -0.049 174.663 174.600 0.187 0.000 1.016 432 S CA 0.028 58.333 58.200 0.175 0.000 0.976 432 S CB 0.215 63.514 63.200 0.166 0.000 0.921 432 S HN 0.099 nan 8.310 nan 0.000 0.516 433 V N 3.938 123.948 119.914 0.160 0.000 2.318 433 V HA 0.511 4.631 4.120 0.001 0.000 0.271 433 V C -0.852 175.371 176.094 0.215 0.000 1.030 433 V CA -0.549 61.870 62.300 0.199 0.000 0.844 433 V CB 0.771 32.730 31.823 0.228 0.000 1.015 433 V HN 0.410 nan 8.190 nan 0.000 0.460 434 I N 3.972 124.679 120.570 0.229 0.000 2.509 434 I HA 0.718 4.889 4.170 0.001 0.000 0.293 434 I C 0.343 176.588 176.117 0.213 0.000 1.020 434 I CA -0.827 60.580 61.300 0.178 0.000 1.088 434 I CB 1.835 39.912 38.000 0.128 0.000 1.267 434 I HN 0.601 nan 8.210 nan 0.000 0.430 435 A N 6.011 128.930 122.820 0.166 0.000 2.312 435 A HA 0.827 5.147 4.320 0.001 0.000 0.326 435 A C -0.746 176.898 177.584 0.100 0.000 1.172 435 A CA -0.466 51.666 52.037 0.158 0.000 0.821 435 A CB 1.200 20.271 19.000 0.119 0.000 1.166 435 A HN 0.441 nan 8.150 nan 0.000 0.493 436 V N 2.001 121.972 119.914 0.094 0.000 2.623 436 V HA 0.485 4.605 4.120 0.001 0.000 0.304 436 V C -0.229 175.898 176.094 0.054 0.000 1.054 436 V CA -0.443 61.891 62.300 0.055 0.000 0.882 436 V CB 2.043 33.886 31.823 0.033 0.000 1.002 436 V HN 0.965 nan 8.190 nan 0.000 0.424 437 T N 5.816 120.394 114.554 0.039 0.000 2.824 437 T HA 0.706 5.056 4.350 0.001 0.000 0.280 437 T C -0.331 174.383 174.700 0.023 0.000 0.995 437 T CA -0.201 61.921 62.100 0.036 0.000 1.009 437 T CB 1.392 70.279 68.868 0.031 0.000 0.955 437 T HN 0.385 nan 8.240 nan 0.000 0.452 438 I N 3.447 124.032 120.570 0.026 0.000 2.359 438 I HA 0.186 4.356 4.170 0.001 0.000 0.284 438 I C 0.236 176.362 176.117 0.015 0.000 1.018 438 I CA -0.773 60.537 61.300 0.016 0.000 1.173 438 I CB 1.159 39.171 38.000 0.020 0.000 1.326 438 I HN 0.327 nan 8.210 nan 0.000 0.462 439 Q N 4.945 124.750 119.800 0.008 0.000 2.271 439 Q HA 0.196 4.537 4.340 0.001 0.000 0.273 439 Q C 1.184 177.184 176.000 0.000 0.000 1.051 439 Q CA 0.651 56.456 55.803 0.003 0.000 0.901 439 Q CB 0.830 29.569 28.738 0.001 0.000 1.174 439 Q HN 0.999 nan 8.270 nan 0.000 0.385 440 G N 2.352 111.147 108.800 -0.008 0.000 2.143 440 G HA2 -0.232 3.729 3.960 0.001 0.000 0.248 440 G HA3 -0.232 3.729 3.960 0.001 0.000 0.248 440 G C 0.430 175.326 174.900 -0.008 0.000 0.991 440 G CA -0.058 45.032 45.100 -0.017 0.000 0.689 440 G HN 0.808 nan 8.290 nan 0.000 0.522 441 G N -0.386 108.418 108.800 0.008 0.000 2.322 441 G HA2 0.817 4.778 3.960 0.001 0.000 0.309 441 G HA3 0.817 4.778 3.960 0.001 0.000 0.309 441 G C 0.572 175.480 174.900 0.013 0.000 1.121 441 G CA 0.620 45.742 45.100 0.036 0.000 0.886 441 G HN 1.195 nan 8.290 nan 0.000 0.447 442 A N 2.191 124.999 122.820 -0.019 0.000 3.155 442 A HA 0.435 4.755 4.320 0.001 0.000 0.170 442 A C 0.505 178.122 177.584 0.055 0.000 2.084 442 A CA -0.197 51.788 52.037 -0.088 0.000 1.019 442 A CB -0.520 18.258 19.000 -0.369 0.000 1.912 442 A HN 0.742 nan 8.150 nan 0.000 0.816 443 H N 0.424 119.430 119.070 -0.107 0.000 2.955 443 H HA 0.317 4.874 4.556 0.001 0.000 0.290 443 H C 0.147 175.366 175.328 -0.181 0.000 1.047 443 H CA 0.822 56.826 56.048 -0.074 0.000 1.484 443 H CB -0.729 28.970 29.762 -0.105 0.000 1.501 443 H HN 0.798 nan 8.280 nan 0.000 0.521 444 H N 2.258 121.322 119.070 -0.011 0.000 2.000 444 H HA -0.227 4.329 4.556 0.001 0.000 0.321 444 H C 0.736 176.151 175.328 0.146 0.000 0.878 444 H CA 0.604 56.670 56.048 0.030 0.000 1.061 444 H CB -1.406 28.323 29.762 -0.054 0.000 1.579 444 H HN 0.532 nan 8.280 nan 0.000 0.316 445 L N 1.233 122.584 121.223 0.214 0.000 2.141 445 L HA -0.111 4.229 4.340 0.001 0.000 0.209 445 L C 2.003 178.918 176.870 0.076 0.000 1.094 445 L CA 2.172 57.114 54.840 0.171 0.000 0.763 445 L CB -0.564 41.606 42.059 0.186 0.000 0.908 445 L HN 0.791 nan 8.230 nan 0.000 0.437 446 D N -0.618 119.808 120.400 0.043 0.000 2.263 446 D HA -0.257 4.383 4.640 0.001 0.000 0.208 446 D C 2.003 178.234 176.300 -0.115 0.000 0.971 446 D CA 1.370 55.304 54.000 -0.109 0.000 0.867 446 D CB -0.597 40.121 40.800 -0.137 0.000 0.929 446 D HN 0.474 nan 8.370 nan 0.000 0.492 447 L N -0.586 120.711 121.223 0.124 0.000 2.418 447 L HA 0.080 4.420 4.340 0.001 0.000 0.218 447 L C 1.491 178.503 176.870 0.236 0.000 1.125 447 L CA 0.039 55.037 54.840 0.263 0.000 0.835 447 L CB -0.080 42.115 42.059 0.226 0.000 0.953 447 L HN -0.156 nan 8.230 nan 0.000 0.454 448 R N 0.620 121.204 120.500 0.139 0.000 2.738 448 R HA 0.322 4.662 4.340 0.001 0.000 0.268 448 R C 0.391 176.763 176.300 0.120 0.000 1.062 448 R CA -0.133 56.019 56.100 0.086 0.000 1.158 448 R CB 0.416 30.721 30.300 0.009 0.000 1.046 448 R HN 0.050 nan 8.270 nan 0.000 0.493 449 A N 1.693 124.567 122.820 0.089 0.000 2.507 449 A HA 0.052 4.373 4.320 0.001 0.000 0.235 449 A C 0.142 177.764 177.584 0.063 0.000 1.070 449 A CA -0.031 52.053 52.037 0.078 0.000 0.768 449 A CB 0.230 19.245 19.000 0.025 0.000 1.011 449 A HN 0.697 nan 8.150 nan 0.000 0.502 450 S N 1.265 116.998 115.700 0.056 0.000 2.561 450 S HA 0.144 4.615 4.470 0.001 0.000 0.294 450 S C 0.052 174.647 174.600 -0.009 0.000 1.294 450 S CA 0.446 58.664 58.200 0.030 0.000 1.055 450 S CB -0.194 63.015 63.200 0.015 0.000 0.819 450 S HN 0.756 nan 8.310 nan 0.000 0.503 451 H N 3.088 122.084 119.070 -0.123 0.000 2.954 451 H HA 0.248 4.805 4.556 0.001 0.000 0.361 451 H C -2.207 173.056 175.328 -0.108 0.000 1.122 451 H CA -1.714 54.195 56.048 -0.231 0.000 1.217 451 H CB 2.194 31.613 29.762 -0.572 0.000 1.776 451 H HN 0.340 nan 8.280 nan 0.000 0.533 452 P HA -0.117 nan 4.420 nan 0.000 0.219 452 P C 0.607 177.996 177.300 0.149 0.000 1.146 452 P CA 1.022 64.113 63.100 -0.015 0.000 0.808 452 P CB 0.495 32.134 31.700 -0.102 0.000 0.779 453 E N -0.045 120.400 120.200 0.409 0.000 2.502 453 E HA 0.010 4.360 4.350 0.001 0.000 0.194 453 E C 0.022 176.771 176.600 0.249 0.000 1.062 453 E CA 0.286 56.876 56.400 0.317 0.000 0.867 453 E CB -0.450 29.454 29.700 0.340 0.000 0.888 453 E HN 0.369 nan 8.360 nan 0.000 0.510 454 D N 3.003 123.546 120.400 0.238 0.000 2.443 454 D HA 0.056 4.696 4.640 0.001 0.000 0.239 454 D C -1.953 174.408 176.300 0.102 0.000 1.136 454 D CA -1.069 53.036 54.000 0.175 0.000 0.879 454 D CB 0.452 41.333 40.800 0.136 0.000 1.195 454 D HN 0.012 nan 8.370 nan 0.000 0.443 455 P HA 0.091 nan 4.420 nan 0.000 0.275 455 P C 0.195 177.513 177.300 0.029 0.000 1.227 455 P CA -0.379 62.746 63.100 0.042 0.000 0.781 455 P CB 1.080 32.798 31.700 0.030 0.000 0.906 456 A N 3.138 125.970 122.820 0.021 0.000 1.954 456 A HA -0.274 4.047 4.320 0.001 0.000 0.222 456 A C 2.523 180.109 177.584 0.003 0.000 1.199 456 A CA 2.635 54.679 52.037 0.012 0.000 0.657 456 A CB -1.623 17.383 19.000 0.009 0.000 0.823 456 A HN 0.602 nan 8.150 nan 0.000 0.463 457 S N -1.527 114.176 115.700 0.004 0.000 2.382 457 S HA -0.108 4.362 4.470 0.001 0.000 0.228 457 S C 1.888 176.480 174.600 -0.013 0.000 1.027 457 S CA 1.470 59.668 58.200 -0.003 0.000 0.991 457 S CB -0.441 62.760 63.200 0.001 0.000 0.823 457 S HN 0.479 nan 8.310 nan 0.000 0.469 458 V N 1.004 120.911 119.914 -0.011 0.000 2.379 458 V HA -0.054 4.066 4.120 0.001 0.000 0.245 458 V C 2.243 178.296 176.094 -0.068 0.000 1.044 458 V CA 1.713 63.991 62.300 -0.037 0.000 1.036 458 V CB -0.347 31.467 31.823 -0.015 0.000 0.664 458 V HN 0.419 nan 8.190 nan 0.000 0.453 459 V N 0.342 120.234 119.914 -0.036 0.000 2.252 459 V HA -0.249 3.872 4.120 0.001 0.000 0.249 459 V C 2.673 178.742 176.094 -0.041 0.000 1.056 459 V CA 2.428 64.707 62.300 -0.035 0.000 1.022 459 V CB -0.726 31.093 31.823 -0.007 0.000 0.641 459 V HN 0.579 nan 8.190 nan 0.000 0.445 460 E N -0.067 120.115 120.200 -0.029 0.000 2.150 460 E HA -0.120 4.230 4.350 0.001 0.000 0.193 460 E C 2.303 178.879 176.600 -0.040 0.000 0.985 460 E CA 1.358 57.743 56.400 -0.025 0.000 0.814 460 E CB -0.540 29.151 29.700 -0.015 0.000 0.752 460 E HN 0.596 nan 8.360 nan 0.000 0.466 461 A N 1.479 124.264 122.820 -0.057 0.000 1.877 461 A HA -0.178 4.142 4.320 0.001 0.000 0.216 461 A C 2.200 179.715 177.584 -0.115 0.000 1.186 461 A CA 1.384 53.377 52.037 -0.073 0.000 0.620 461 A CB -0.426 18.531 19.000 -0.071 0.000 0.822 461 A HN 0.113 nan 8.150 nan 0.000 0.443 462 R N -0.417 119.962 120.500 -0.201 0.000 2.105 462 R HA -0.137 4.203 4.340 0.001 0.000 0.239 462 R C 2.619 178.912 176.300 -0.012 0.000 1.135 462 R CA 1.976 57.895 56.100 -0.303 0.000 0.967 462 R CB -0.438 29.557 30.300 -0.508 0.000 0.861 462 R HN 0.559 nan 8.270 nan 0.000 0.442 463 K N 1.059 121.454 120.400 -0.010 0.000 2.026 463 K HA -0.109 4.211 4.320 0.001 0.000 0.208 463 K C 1.931 178.534 176.600 0.005 0.000 1.048 463 K CA 1.557 57.858 56.287 0.023 0.000 0.929 463 K CB -0.979 31.524 32.500 0.005 0.000 0.713 463 K HN 0.103 nan 8.250 nan 0.000 0.439 464 L N 1.358 122.568 121.223 -0.022 0.000 2.046 464 L HA -0.120 4.221 4.340 0.001 0.000 0.208 464 L C 2.359 179.184 176.870 -0.076 0.000 1.077 464 L CA 2.286 57.099 54.840 -0.045 0.000 0.747 464 L CB -0.433 41.600 42.059 -0.043 0.000 0.896 464 L HN 0.595 nan 8.230 nan 0.000 0.432 465 E N -0.471 119.701 120.200 -0.046 0.000 2.031 465 E HA -0.241 4.109 4.350 0.001 0.000 0.193 465 E C 2.213 178.782 176.600 -0.051 0.000 0.994 465 E CA 1.266 57.634 56.400 -0.053 0.000 0.800 465 E CB -0.424 29.324 29.700 0.080 0.000 0.752 465 E HN 0.642 nan 8.360 nan 0.000 0.447 466 A N 0.843 123.722 122.820 0.098 0.000 1.892 466 A HA -0.259 4.061 4.320 0.001 0.000 0.218 466 A C 2.406 179.970 177.584 -0.034 0.000 1.188 466 A CA 2.316 54.400 52.037 0.080 0.000 0.631 466 A CB -1.117 17.970 19.000 0.145 0.000 0.822 466 A HN 0.233 nan 8.150 nan 0.000 0.447 467 T N -0.044 114.473 114.554 -0.062 0.000 2.777 467 T HA -0.054 4.296 4.350 0.001 0.000 0.266 467 T C 1.809 176.391 174.700 -0.196 0.000 1.040 467 T CA 1.465 63.509 62.100 -0.093 0.000 1.141 467 T CB -0.354 68.472 68.868 -0.070 0.000 0.868 467 T HN 0.425 nan 8.240 nan 0.000 0.444 468 I N 0.441 120.819 120.570 -0.320 0.000 2.202 468 I HA -0.091 4.079 4.170 0.001 0.000 0.242 468 I C 2.197 177.727 176.117 -0.977 0.000 1.091 468 I CA 1.186 62.116 61.300 -0.617 0.000 1.368 468 I CB -0.306 37.292 38.000 -0.669 0.000 1.058 468 I HN 0.194 nan 8.210 nan 0.000 0.410 469 I N 0.646 120.746 120.570 -0.785 0.000 2.208 469 I HA -0.241 3.929 4.170 0.001 0.000 0.245 469 I C 2.673 178.716 176.117 -0.125 0.000 1.097 469 I CA 1.633 62.635 61.300 -0.498 0.000 1.363 469 I CB -0.953 36.910 38.000 -0.228 0.000 1.051 469 I HN 0.279 nan 8.210 nan 0.000 0.413 470 G N 0.448 109.195 108.800 -0.087 0.000 2.476 470 G HA2 -0.361 3.599 3.960 0.001 0.000 0.218 470 G HA3 -0.361 3.599 3.960 0.001 0.000 0.218 470 G C 1.702 176.607 174.900 0.008 0.000 1.164 470 G CA 1.342 46.446 45.100 0.006 0.000 0.768 470 G HN 0.498 nan 8.290 nan 0.000 0.560 471 E N -0.012 120.144 120.200 -0.075 0.000 2.268 471 E HA -0.078 4.273 4.350 0.001 0.000 0.195 471 E C 2.042 178.718 176.600 0.127 0.000 0.995 471 E CA 1.242 57.634 56.400 -0.013 0.000 0.836 471 E CB -0.613 29.046 29.700 -0.069 0.000 0.763 471 E HN 0.633 nan 8.360 nan 0.000 0.491 472 W N -0.036 121.270 121.300 0.009 0.000 2.441 472 W HA 0.052 4.712 4.660 0.001 0.000 0.302 472 W C 2.339 178.868 176.519 0.017 0.000 1.191 472 W CA 0.684 58.027 57.345 -0.003 0.000 1.327 472 W CB -0.925 28.512 29.460 -0.039 0.000 1.128 472 W HN 0.241 nan 8.180 nan 0.000 0.522 473 V N 1.083 121.167 119.914 0.284 0.000 2.255 473 V HA -0.336 3.785 4.120 0.001 0.000 0.247 473 V C 2.436 178.616 176.094 0.143 0.000 1.051 473 V CA 2.392 64.812 62.300 0.199 0.000 1.018 473 V CB -1.032 30.913 31.823 0.204 0.000 0.641 473 V HN 0.100 nan 8.190 nan 0.000 0.445 474 K N 0.094 120.568 120.400 0.124 0.000 2.063 474 K HA -0.216 4.104 4.320 0.001 0.000 0.208 474 K C 2.121 178.774 176.600 0.088 0.000 1.048 474 K CA 1.752 58.093 56.287 0.090 0.000 0.928 474 K CB -0.297 32.245 32.500 0.070 0.000 0.713 474 K HN 0.460 nan 8.250 nan 0.000 0.442 475 A N 0.681 123.567 122.820 0.110 0.000 1.968 475 A HA 0.034 4.355 4.320 0.001 0.000 0.217 475 A C 2.237 179.868 177.584 0.078 0.000 1.169 475 A CA 1.371 53.466 52.037 0.096 0.000 0.638 475 A CB -0.510 18.562 19.000 0.121 0.000 0.812 475 A HN 0.444 nan 8.150 nan 0.000 0.446 476 A N 0.434 123.305 122.820 0.086 0.000 1.978 476 A HA -0.094 4.227 4.320 0.001 0.000 0.220 476 A C 1.646 179.262 177.584 0.053 0.000 1.170 476 A CA 1.359 53.433 52.037 0.061 0.000 0.636 476 A CB -0.334 18.704 19.000 0.063 0.000 0.810 476 A HN 0.730 nan 8.150 nan 0.000 0.448 477 R N 0.000 120.536 120.500 0.059 0.000 2.786 477 R HA 0.000 4.340 4.340 0.001 0.000 0.208 477 R CA 0.000 56.130 56.100 0.049 0.000 0.921 477 R CB 0.000 30.331 30.300 0.051 0.000 0.687 477 R HN 0.000 nan 8.270 nan 0.000 0.535