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 3ahz_1_A DATA FIRST_RESID 27 DATA SEQUENCE TVYTFPDEFK LGAATASYQI EGAWDENGKG PNIWDTLTHE HPDYVVDGAT DATA SEQUENCE GDIADDSYHL YKEDVKILKE LGAQVYRFSI SWARVLPEGH DNIVNQDGID DATA SEQUENCE YYNNLINELL ANGIEPMVTM YHWDLPQALQ DLGGWPNLVL AKYSENYARV DATA SEQUENCE LFKNFGDRVK LWLTFNEPLT FMDGYASEIG MAPSINTPGI GDYLAAHTVI DATA SEQUENCE HAHARIYHLY DQEFRAEQGG KVGISLNINW CEPATNSAED RASCENYQQF DATA SEQUENCE NLGLYAHPIF TEEGDYPAVL KDRVSRNSAD EGYTDSRLPQ FTAEEVEYIR DATA SEQUENCE GTHDFLGINF YTALLGKSGV EGYEPSRYRD SGVILTQDAA WPISASSWLK DATA SEQUENCE VVPWGFRKEL NWIKNEYNNP PVFITENGFS DYGGLNDTGR VHYYTEHLKE DATA SEQUENCE MLKAIHEDGV NVIGYTAWSL MDNFEWLRGY SEKFGIYAVD FEDPARPRIP DATA SEQUENCE KESAKVLAEI MNTRKIPERF RD 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.359 174.700 -0.569 0.000 1.109 27 T CA 0.000 61.913 62.100 -0.312 0.000 1.349 27 T CB 0.000 68.675 68.868 -0.322 0.000 0.612 28 V N 0.831 120.434 119.914 -0.518 0.000 3.078 28 V HA 0.163 4.283 4.120 0.001 0.000 0.265 28 V C 1.211 176.981 176.094 -0.539 0.000 1.122 28 V CA 1.215 63.175 62.300 -0.566 0.000 1.141 28 V CB -0.871 30.619 31.823 -0.555 0.000 0.735 28 V HN 0.733 nan 8.190 nan 0.000 0.498 29 Y N -0.700 119.472 120.300 -0.214 0.000 2.467 29 Y HA 0.275 4.826 4.550 0.001 0.000 0.250 29 Y C 0.990 176.758 175.900 -0.220 0.000 1.155 29 Y CA -0.283 57.703 58.100 -0.190 0.000 1.249 29 Y CB 0.592 38.987 38.460 -0.109 0.000 1.146 29 Y HN 0.132 nan 8.280 nan 0.000 0.524 30 T N 0.884 115.366 114.554 -0.120 0.000 2.824 30 T HA 0.330 4.680 4.350 0.001 0.000 0.280 30 T C -0.575 174.063 174.700 -0.104 0.000 0.995 30 T CA -0.553 61.512 62.100 -0.059 0.000 1.009 30 T CB 0.697 69.548 68.868 -0.028 0.000 0.955 30 T HN -0.146 nan 8.240 nan 0.000 0.452 31 F N 3.335 123.269 119.950 -0.027 0.000 2.429 31 F HA 0.317 4.844 4.527 0.001 0.000 0.348 31 F C -1.628 174.166 175.800 -0.010 0.000 1.109 31 F CA -2.022 55.901 58.000 -0.129 0.000 1.232 31 F CB 0.033 38.918 39.000 -0.192 0.000 1.157 31 F HN 0.331 nan 8.300 nan 0.000 0.564 32 P HA -0.037 nan 4.420 nan 0.000 0.267 32 P C 0.233 177.659 177.300 0.211 0.000 1.200 32 P CA 0.124 63.325 63.100 0.169 0.000 0.772 32 P CB 0.629 32.418 31.700 0.147 0.000 0.855 33 D N 1.598 122.090 120.400 0.153 0.000 2.149 33 D HA -0.170 4.471 4.640 0.001 0.000 0.198 33 D C 1.111 177.493 176.300 0.135 0.000 0.990 33 D CA 1.558 55.636 54.000 0.130 0.000 0.839 33 D CB -0.033 40.821 40.800 0.090 0.000 0.948 33 D HN 0.596 nan 8.370 nan 0.000 0.460 34 E N -0.808 119.476 120.200 0.139 0.000 2.489 34 E HA 0.023 4.373 4.350 0.001 0.000 0.193 34 E C 0.235 176.907 176.600 0.119 0.000 1.057 34 E CA -0.477 55.987 56.400 0.107 0.000 0.866 34 E CB 0.098 29.843 29.700 0.075 0.000 0.916 34 E HN 0.162 nan 8.360 nan 0.000 0.500 35 F N 2.541 122.510 119.950 0.032 0.000 2.538 35 F HA 0.027 4.555 4.527 0.001 0.000 0.371 35 F C 0.193 175.976 175.800 -0.027 0.000 1.087 35 F CA 0.136 58.142 58.000 0.010 0.000 1.250 35 F CB 0.447 39.505 39.000 0.095 0.000 1.110 35 F HN -0.348 nan 8.300 nan 0.000 0.570 36 K N 7.460 127.603 120.400 -0.429 0.000 2.213 36 K HA 0.476 4.797 4.320 0.001 0.000 0.270 36 K C -1.095 175.403 176.600 -0.171 0.000 1.002 36 K CA -0.560 55.608 56.287 -0.198 0.000 0.868 36 K CB 1.518 33.949 32.500 -0.116 0.000 1.093 36 K HN 0.585 nan 8.250 nan 0.000 0.454 37 L N 1.866 123.102 121.223 0.020 0.000 2.329 37 L HA 0.658 4.999 4.340 0.001 0.000 0.279 37 L C 0.511 177.450 176.870 0.114 0.000 1.014 37 L CA -0.280 54.611 54.840 0.086 0.000 0.814 37 L CB 1.881 43.917 42.059 -0.039 0.000 1.257 37 L HN 0.906 nan 8.230 nan 0.000 0.424 38 G N 1.336 110.249 108.800 0.188 0.000 2.529 38 G HA2 0.762 4.722 3.960 0.001 0.000 0.238 38 G HA3 0.762 4.722 3.960 0.001 0.000 0.238 38 G C -2.118 172.898 174.900 0.192 0.000 1.207 38 G CA 0.222 45.424 45.100 0.171 0.000 0.928 38 G HN 0.801 nan 8.290 nan 0.000 0.495 39 A N -1.590 121.357 122.820 0.211 0.000 2.566 39 A HA 1.047 5.368 4.320 0.001 0.000 0.292 39 A C -0.593 177.157 177.584 0.277 0.000 1.112 39 A CA 0.230 52.385 52.037 0.196 0.000 0.707 39 A CB 1.373 20.448 19.000 0.124 0.000 1.302 39 A HN 2.392 nan 8.150 nan 0.000 0.409 40 A N -0.019 122.916 122.820 0.191 0.000 2.435 40 A HA 0.971 5.292 4.320 0.001 0.000 0.304 40 A C -0.136 177.416 177.584 -0.053 0.000 1.064 40 A CA 0.117 52.260 52.037 0.176 0.000 0.727 40 A CB 1.414 20.624 19.000 0.350 0.000 1.284 40 A HN 2.209 nan 8.150 nan 0.000 0.415 41 T N -1.915 112.657 114.554 0.030 0.000 2.778 41 T HA 0.906 5.257 4.350 0.001 0.000 0.293 41 T C -0.424 174.373 174.700 0.161 0.000 1.144 41 T CA -0.175 61.891 62.100 -0.056 0.000 1.010 41 T CB 1.546 70.448 68.868 0.056 0.000 1.325 41 T HN 2.228 nan 8.240 nan 0.000 0.515 42 A N 0.414 123.287 122.820 0.087 0.000 2.475 42 A HA 0.736 5.057 4.320 0.001 0.000 0.301 42 A C 1.148 178.712 177.584 -0.034 0.000 1.059 42 A CA -0.130 51.795 52.037 -0.186 0.000 0.710 42 A CB 1.392 19.864 19.000 -0.880 0.000 1.288 42 A HN 1.450 nan 8.150 nan 0.000 0.408 43 S N 0.909 116.639 115.700 0.050 0.000 2.351 43 S HA -0.282 4.188 4.470 0.001 0.000 0.220 43 S C 1.708 176.374 174.600 0.110 0.000 1.035 43 S CA 2.121 60.425 58.200 0.174 0.000 1.031 43 S CB -0.940 62.429 63.200 0.282 0.000 0.928 43 S HN 0.959 nan 8.310 nan 0.000 0.433 44 Y N 2.541 122.846 120.300 0.008 0.000 2.352 44 Y HA -0.048 4.503 4.550 0.001 0.000 0.292 44 Y C 2.659 178.425 175.900 -0.222 0.000 1.136 44 Y CA 1.617 59.678 58.100 -0.065 0.000 1.227 44 Y CB -0.343 38.104 38.460 -0.021 0.000 0.991 44 Y HN 0.362 nan 8.280 nan 0.000 0.545 45 Q N -0.295 119.340 119.800 -0.274 0.000 2.230 45 Q HA -0.080 4.260 4.340 0.001 0.000 0.202 45 Q C 1.902 177.846 176.000 -0.093 0.000 0.963 45 Q CA 1.799 57.431 55.803 -0.284 0.000 0.866 45 Q CB 0.046 28.616 28.738 -0.281 0.000 0.931 45 Q HN 0.779 nan 8.270 nan 0.000 0.452 46 I N -4.404 116.139 120.570 -0.045 0.000 4.433 46 I HA 0.158 4.329 4.170 0.001 0.000 0.322 46 I C 1.517 177.666 176.117 0.054 0.000 1.284 46 I CA 0.032 61.363 61.300 0.052 0.000 1.269 46 I CB 0.253 38.304 38.000 0.085 0.000 1.219 46 I HN -0.131 nan 8.210 nan 0.000 0.436 47 E N 2.311 122.524 120.200 0.022 0.000 2.107 47 E HA 0.157 4.508 4.350 0.001 0.000 0.191 47 E C 1.551 178.162 176.600 0.019 0.000 0.982 47 E CA 0.896 57.328 56.400 0.054 0.000 0.809 47 E CB -0.128 29.611 29.700 0.066 0.000 0.756 47 E HN 0.661 nan 8.360 nan 0.000 0.459 48 G N 0.923 109.697 108.800 -0.043 0.000 2.564 48 G HA2 -0.327 3.633 3.960 0.001 0.000 0.273 48 G HA3 -0.327 3.633 3.960 0.001 0.000 0.273 48 G C 0.475 175.355 174.900 -0.033 0.000 1.242 48 G CA 0.390 45.489 45.100 -0.001 0.000 0.951 48 G HN 0.981 nan 8.290 nan 0.000 0.564 49 A N -1.499 121.307 122.820 -0.022 0.000 2.640 49 A HA -0.173 4.147 4.320 0.001 0.000 0.300 49 A C 1.368 178.788 177.584 -0.273 0.000 1.499 49 A CA 2.041 53.922 52.037 -0.261 0.000 0.759 49 A CB -2.129 16.383 19.000 -0.814 0.000 1.048 49 A HN 2.379 nan 8.150 nan 0.000 0.450 50 W N 0.639 121.863 121.300 -0.125 0.000 2.425 50 W HA 0.001 4.661 4.660 0.001 0.000 0.277 50 W C 0.417 176.922 176.519 -0.023 0.000 1.231 50 W CA 1.480 58.803 57.345 -0.037 0.000 1.248 50 W CB -0.377 29.122 29.460 0.065 0.000 1.117 50 W HN 0.821 nan 8.180 nan 0.000 0.568 51 D N -0.347 119.368 120.400 -1.141 0.000 2.599 51 D HA 0.104 4.745 4.640 0.001 0.000 0.249 51 D C -0.439 175.509 176.300 -0.587 0.000 1.313 51 D CA -0.312 53.079 54.000 -1.014 0.000 0.815 51 D CB -0.776 39.042 40.800 -1.637 0.000 1.077 51 D HN 0.210 nan 8.370 nan 0.000 0.492 52 E N 0.785 120.687 120.200 -0.497 0.000 2.301 52 E HA 0.238 4.588 4.350 0.001 0.000 0.275 52 E C -0.066 176.357 176.600 -0.296 0.000 1.030 52 E CA -0.444 55.731 56.400 -0.374 0.000 0.852 52 E CB 0.315 29.751 29.700 -0.441 0.000 1.060 52 E HN -0.075 nan 8.360 nan 0.000 0.401 53 N N 3.031 121.634 118.700 -0.161 0.000 2.705 53 N HA -0.232 4.508 4.740 0.001 0.000 0.255 53 N C 0.419 175.891 175.510 -0.064 0.000 1.008 53 N CA 1.343 54.351 53.050 -0.071 0.000 0.742 53 N CB -1.418 37.072 38.487 0.005 0.000 0.906 53 N HN 0.899 nan 8.380 nan 0.000 0.541 54 G N -1.134 107.617 108.800 -0.083 0.000 2.176 54 G HA2 -0.386 3.574 3.960 0.001 0.000 0.253 54 G HA3 -0.386 3.574 3.960 0.001 0.000 0.253 54 G C 0.093 174.967 174.900 -0.043 0.000 0.979 54 G CA 0.667 45.740 45.100 -0.046 0.000 0.641 54 G HN 0.727 nan 8.290 nan 0.000 0.530 55 K N 1.149 121.495 120.400 -0.089 0.000 2.451 55 K HA 0.462 4.782 4.320 0.001 0.000 0.280 55 K C 1.156 177.733 176.600 -0.038 0.000 1.020 55 K CA 0.371 56.630 56.287 -0.047 0.000 1.008 55 K CB 0.032 32.473 32.500 -0.098 0.000 0.917 55 K HN 0.356 nan 8.250 nan 0.000 0.478 56 G N 3.988 112.806 108.800 0.029 0.000 2.528 56 G HA2 0.351 4.311 3.960 0.001 0.000 0.289 56 G HA3 0.351 4.311 3.960 0.001 0.000 0.289 56 G C -2.514 172.444 174.900 0.097 0.000 1.192 56 G CA -1.349 43.775 45.100 0.039 0.000 0.921 56 G HN 0.557 nan 8.290 nan 0.000 0.512 57 P HA 0.198 nan 4.420 nan 0.000 0.278 57 P C -0.883 176.488 177.300 0.118 0.000 1.238 57 P CA -0.488 62.739 63.100 0.211 0.000 0.794 57 P CB 1.637 33.467 31.700 0.217 0.000 0.955 58 N N 1.201 119.985 118.700 0.140 0.000 2.619 58 N HA 0.262 5.002 4.740 0.001 0.000 0.294 58 N C 1.160 176.676 175.510 0.009 0.000 1.279 58 N CA -1.044 52.051 53.050 0.076 0.000 0.867 58 N CB 0.235 38.817 38.487 0.158 0.000 1.329 58 N HN 0.340 nan 8.380 nan 0.000 0.557 59 I N -4.518 116.039 120.570 -0.023 0.000 2.756 59 I HA 0.102 4.272 4.170 0.001 0.000 0.262 59 I C 0.590 176.504 176.117 -0.338 0.000 1.225 59 I CA 0.744 61.947 61.300 -0.161 0.000 1.472 59 I CB -0.258 37.638 38.000 -0.172 0.000 1.094 59 I HN 0.425 nan 8.210 nan 0.000 0.454 60 W N 1.925 123.084 121.300 -0.234 0.000 2.576 60 W HA 0.017 4.678 4.660 0.001 0.000 0.275 60 W C 2.201 178.419 176.519 -0.503 0.000 1.241 60 W CA 0.500 57.572 57.345 -0.454 0.000 1.328 60 W CB -0.057 28.813 29.460 -0.982 0.000 1.092 60 W HN 0.094 nan 8.180 nan 0.000 0.586 61 D N -0.301 119.971 120.400 -0.214 0.000 2.104 61 D HA -0.173 4.467 4.640 0.001 0.000 0.194 61 D C 1.922 177.853 176.300 -0.615 0.000 0.994 61 D CA 2.194 55.906 54.000 -0.480 0.000 0.830 61 D CB -0.880 39.849 40.800 -0.119 0.000 0.959 61 D HN 0.092 nan 8.370 nan 0.000 0.452 62 T N 1.633 116.013 114.554 -0.291 0.000 2.708 62 T HA -0.104 4.247 4.350 0.001 0.000 0.266 62 T C 2.140 176.701 174.700 -0.231 0.000 1.037 62 T CA 0.464 62.436 62.100 -0.214 0.000 1.146 62 T CB -0.410 68.377 68.868 -0.135 0.000 0.865 62 T HN 0.111 nan 8.240 nan 0.000 0.435 63 L N 1.248 122.321 121.223 -0.250 0.000 2.017 63 L HA -0.157 4.183 4.340 0.001 0.000 0.208 63 L C 2.800 179.599 176.870 -0.119 0.000 1.073 63 L CA 2.003 56.740 54.840 -0.172 0.000 0.745 63 L CB -0.709 41.124 42.059 -0.377 0.000 0.894 63 L HN 0.435 nan 8.230 nan 0.000 0.432 64 T N -4.584 109.905 114.554 -0.107 0.000 2.995 64 T HA -0.163 4.187 4.350 0.001 0.000 0.269 64 T C 1.523 176.213 174.700 -0.017 0.000 1.091 64 T CA 1.353 63.455 62.100 0.003 0.000 1.128 64 T CB -0.717 68.194 68.868 0.073 0.000 0.891 64 T HN 0.584 nan 8.240 nan 0.000 0.492 65 H N 0.748 119.714 119.070 -0.173 0.000 2.384 65 H HA 0.210 4.766 4.556 0.001 0.000 0.300 65 H C 2.288 177.474 175.328 -0.236 0.000 1.057 65 H CA 1.035 56.954 56.048 -0.215 0.000 1.370 65 H CB 0.328 29.931 29.762 -0.265 0.000 1.417 65 H HN 0.459 nan 8.280 nan 0.000 0.527 66 E N 0.079 120.145 120.200 -0.222 0.000 2.276 66 E HA -0.000 4.350 4.350 0.001 0.000 0.193 66 E C -0.012 176.133 176.600 -0.757 0.000 0.983 66 E CA 0.326 56.434 56.400 -0.486 0.000 0.861 66 E CB 0.626 29.936 29.700 -0.649 0.000 0.817 66 E HN 0.537 nan 8.360 nan 0.000 0.485 67 H N 0.225 119.108 119.070 -0.311 0.000 2.471 67 H HA 0.146 4.703 4.556 0.001 0.000 0.234 67 H C -1.944 173.164 175.328 -0.366 0.000 1.388 67 H CA -1.636 54.063 56.048 -0.582 0.000 1.198 67 H CB 0.630 29.567 29.762 -1.375 0.000 1.714 67 H HN 0.121 nan 8.280 nan 0.000 0.536 68 P HA -0.134 nan 4.420 nan 0.000 0.225 68 P C 1.023 178.367 177.300 0.073 0.000 1.148 68 P CA 0.940 64.056 63.100 0.027 0.000 0.779 68 P CB 0.355 32.073 31.700 0.030 0.000 0.780 69 D N -1.430 118.999 120.400 0.049 0.000 2.350 69 D HA -0.191 4.450 4.640 0.001 0.000 0.216 69 D C 1.206 177.686 176.300 0.301 0.000 0.968 69 D CA 0.849 54.935 54.000 0.143 0.000 0.894 69 D CB -0.989 39.895 40.800 0.139 0.000 0.909 69 D HN 0.181 nan 8.370 nan 0.000 0.520 70 Y N 0.594 120.951 120.300 0.096 0.000 2.523 70 Y HA 0.235 4.785 4.550 0.001 0.000 0.279 70 Y C 0.919 176.886 175.900 0.111 0.000 1.139 70 Y CA -0.747 57.398 58.100 0.075 0.000 1.296 70 Y CB -0.025 38.463 38.460 0.045 0.000 1.045 70 Y HN -0.164 nan 8.280 nan 0.000 0.538 71 V N 0.185 120.267 119.914 0.281 0.000 2.604 71 V HA 0.281 4.402 4.120 0.001 0.000 0.305 71 V C 0.080 176.275 176.094 0.169 0.000 1.043 71 V CA -1.607 60.838 62.300 0.242 0.000 0.888 71 V CB 2.298 34.303 31.823 0.304 0.000 0.995 71 V HN -0.289 nan 8.190 nan 0.000 0.429 72 V N 4.641 124.629 119.914 0.123 0.000 2.617 72 V HA 0.053 4.174 4.120 0.001 0.000 0.304 72 V C 0.971 177.132 176.094 0.112 0.000 1.040 72 V CA 0.854 63.214 62.300 0.100 0.000 1.149 72 V CB -0.041 31.828 31.823 0.075 0.000 0.914 72 V HN 1.120 nan 8.190 nan 0.000 0.487 73 D N 3.091 123.555 120.400 0.108 0.000 3.046 73 D HA -0.212 4.429 4.640 0.001 0.000 0.210 73 D C 1.230 177.607 176.300 0.127 0.000 1.124 73 D CA 1.464 55.531 54.000 0.113 0.000 0.986 73 D CB -1.342 39.535 40.800 0.128 0.000 1.118 73 D HN 1.475 nan 8.370 nan 0.000 0.416 74 G N -0.016 108.866 108.800 0.136 0.000 2.249 74 G HA2 -0.103 3.857 3.960 0.001 0.000 0.273 74 G HA3 -0.103 3.857 3.960 0.001 0.000 0.273 74 G C 0.544 175.554 174.900 0.183 0.000 1.036 74 G CA 1.110 46.295 45.100 0.141 0.000 0.824 74 G HN 1.199 nan 8.290 nan 0.000 0.504 75 A N -0.429 122.537 122.820 0.245 0.000 2.406 75 A HA 0.789 5.109 4.320 0.001 0.000 0.243 75 A C 0.930 178.741 177.584 0.378 0.000 1.082 75 A CA 1.228 53.471 52.037 0.345 0.000 0.786 75 A CB 0.490 19.715 19.000 0.375 0.000 1.029 75 A HN 1.991 nan 8.150 nan 0.000 0.495 76 T N -2.103 112.603 114.554 0.254 0.000 2.901 76 T HA 0.595 4.946 4.350 0.001 0.000 0.293 76 T C 0.575 175.019 174.700 -0.427 0.000 1.084 76 T CA 0.002 62.072 62.100 -0.051 0.000 1.008 76 T CB 1.594 70.461 68.868 -0.002 0.000 1.170 76 T HN 1.164 nan 8.240 nan 0.000 0.509 77 G N 0.068 108.382 108.800 -0.811 0.000 3.383 77 G HA2 0.168 4.128 3.960 0.001 0.000 0.251 77 G HA3 0.168 4.128 3.960 0.001 0.000 0.251 77 G C 0.523 175.153 174.900 -0.450 0.000 1.203 77 G CA -0.241 44.269 45.100 -0.983 0.000 0.852 77 G HN 0.750 nan 8.290 nan 0.000 0.531 78 D N 0.732 121.022 120.400 -0.184 0.000 2.149 78 D HA -0.097 4.543 4.640 0.001 0.000 0.198 78 D C 2.192 178.572 176.300 0.134 0.000 0.990 78 D CA 0.951 54.963 54.000 0.020 0.000 0.839 78 D CB 0.275 41.093 40.800 0.032 0.000 0.948 78 D HN 0.480 nan 8.370 nan 0.000 0.460 79 I N -0.933 119.675 120.570 0.063 0.000 3.673 79 I HA 0.195 4.365 4.170 0.001 0.000 0.281 79 I C 1.477 177.643 176.117 0.083 0.000 1.182 79 I CA 0.400 61.755 61.300 0.092 0.000 1.391 79 I CB 0.005 38.063 38.000 0.097 0.000 1.383 79 I HN -0.037 nan 8.210 nan 0.000 0.456 80 A N 1.859 124.742 122.820 0.106 0.000 5.483 80 A HA -0.348 3.972 4.320 0.001 0.000 0.309 80 A C 1.035 178.821 177.584 0.337 0.000 1.898 80 A CA 1.881 54.059 52.037 0.234 0.000 0.716 80 A CB -1.782 17.262 19.000 0.074 0.000 1.309 80 A HN 0.478 nan 8.150 nan 0.000 0.380 81 D N 0.683 121.261 120.400 0.297 0.000 2.349 81 D HA 0.219 4.859 4.640 0.001 0.000 0.224 81 D C 0.442 176.809 176.300 0.111 0.000 1.029 81 D CA 1.188 55.304 54.000 0.194 0.000 0.879 81 D CB -0.113 40.777 40.800 0.150 0.000 0.906 81 D HN 0.651 nan 8.370 nan 0.000 0.528 82 D N 0.059 120.537 120.400 0.131 0.000 2.837 82 D HA -0.168 4.472 4.640 0.001 0.000 0.230 82 D C 0.744 177.135 176.300 0.152 0.000 1.152 82 D CA 0.379 54.475 54.000 0.159 0.000 0.736 82 D CB -1.294 39.606 40.800 0.166 0.000 1.084 82 D HN -0.046 nan 8.370 nan 0.000 0.429 83 S N -1.289 114.490 115.700 0.130 0.000 2.474 83 S HA -0.143 4.328 4.470 0.001 0.000 0.235 83 S C 1.388 176.111 174.600 0.204 0.000 0.997 83 S CA 0.696 58.990 58.200 0.157 0.000 0.949 83 S CB -0.217 63.082 63.200 0.165 0.000 0.766 83 S HN 0.611 nan 8.310 nan 0.000 0.517 84 Y N 2.017 122.251 120.300 -0.110 0.000 2.165 84 Y HA -0.251 4.299 4.550 0.001 0.000 0.286 84 Y C 1.989 177.718 175.900 -0.286 0.000 1.155 84 Y CA 1.949 59.735 58.100 -0.523 0.000 1.164 84 Y CB -0.383 37.632 38.460 -0.742 0.000 0.978 84 Y HN 0.405 nan 8.280 nan 0.000 0.513 85 H N -1.144 117.959 119.070 0.054 0.000 2.465 85 H HA 0.200 4.756 4.556 0.001 0.000 0.289 85 H C 1.160 176.489 175.328 0.002 0.000 1.022 85 H CA 1.107 57.160 56.048 0.008 0.000 1.340 85 H CB 0.123 29.915 29.762 0.049 0.000 1.437 85 H HN 0.247 nan 8.280 nan 0.000 0.539 86 L N 1.539 122.833 121.223 0.119 0.000 2.872 86 L HA 0.084 4.424 4.340 0.001 0.000 0.245 86 L C 0.957 177.780 176.870 -0.079 0.000 1.211 86 L CA -0.277 54.552 54.840 -0.019 0.000 1.013 86 L CB -0.236 41.820 42.059 -0.005 0.000 1.326 86 L HN 0.425 nan 8.230 nan 0.000 0.525 87 Y N -0.436 119.844 120.300 -0.033 0.000 2.256 87 Y HA -0.165 4.385 4.550 0.001 0.000 0.288 87 Y C 2.101 177.919 175.900 -0.137 0.000 1.155 87 Y CA 0.853 58.903 58.100 -0.082 0.000 1.203 87 Y CB -0.587 37.810 38.460 -0.106 0.000 0.980 87 Y HN 0.016 nan 8.280 nan 0.000 0.530 88 K N 0.302 120.212 120.400 -0.817 0.000 2.148 88 K HA -0.128 4.192 4.320 0.001 0.000 0.204 88 K C 1.819 178.235 176.600 -0.308 0.000 1.050 88 K CA 1.331 57.292 56.287 -0.542 0.000 0.942 88 K CB -0.083 32.076 32.500 -0.569 0.000 0.724 88 K HN 0.399 nan 8.250 nan 0.000 0.446 89 E N 1.155 121.194 120.200 -0.268 0.000 2.107 89 E HA -0.146 4.204 4.350 0.001 0.000 0.191 89 E C 1.497 177.952 176.600 -0.242 0.000 0.982 89 E CA 1.011 57.282 56.400 -0.215 0.000 0.809 89 E CB -0.112 29.484 29.700 -0.173 0.000 0.756 89 E HN 0.290 nan 8.360 nan 0.000 0.459 90 D N 0.554 120.815 120.400 -0.232 0.000 2.117 90 D HA -0.112 4.528 4.640 0.001 0.000 0.197 90 D C 2.129 178.205 176.300 -0.373 0.000 0.987 90 D CA 0.710 54.528 54.000 -0.302 0.000 0.829 90 D CB -0.239 40.417 40.800 -0.239 0.000 0.961 90 D HN 0.013 nan 8.370 nan 0.000 0.460 91 V N 0.994 120.733 119.914 -0.292 0.000 2.407 91 V HA -0.224 3.896 4.120 0.001 0.000 0.248 91 V C 2.442 178.399 176.094 -0.229 0.000 1.055 91 V CA 1.457 63.601 62.300 -0.260 0.000 1.049 91 V CB -0.437 31.287 31.823 -0.166 0.000 0.662 91 V HN 0.179 nan 8.190 nan 0.000 0.455 92 K N 0.680 120.951 120.400 -0.215 0.000 2.032 92 K HA -0.216 4.104 4.320 0.001 0.000 0.209 92 K C 2.148 178.625 176.600 -0.205 0.000 1.048 92 K CA 2.357 58.536 56.287 -0.180 0.000 0.927 92 K CB -0.323 32.078 32.500 -0.165 0.000 0.712 92 K HN 0.666 nan 8.250 nan 0.000 0.441 93 I N -1.470 118.913 120.570 -0.311 0.000 2.394 93 I HA -0.180 3.990 4.170 0.001 0.000 0.251 93 I C 1.908 177.822 176.117 -0.338 0.000 1.136 93 I CA 1.014 62.050 61.300 -0.439 0.000 1.425 93 I CB -0.326 37.100 38.000 -0.956 0.000 1.079 93 I HN 0.044 nan 8.210 nan 0.000 0.425 94 L N 1.189 122.217 121.223 -0.325 0.000 2.083 94 L HA -0.159 4.182 4.340 0.001 0.000 0.209 94 L C 2.828 179.621 176.870 -0.127 0.000 1.083 94 L CA 1.654 56.353 54.840 -0.234 0.000 0.752 94 L CB -0.584 41.283 42.059 -0.320 0.000 0.899 94 L HN 0.295 nan 8.230 nan 0.000 0.433 95 K N 0.278 120.603 120.400 -0.125 0.000 2.097 95 K HA -0.177 4.144 4.320 0.001 0.000 0.205 95 K C 1.909 178.483 176.600 -0.044 0.000 1.050 95 K CA 1.299 57.543 56.287 -0.073 0.000 0.938 95 K CB 0.081 32.536 32.500 -0.075 0.000 0.718 95 K HN 0.339 nan 8.250 nan 0.000 0.442 96 E N 0.608 120.782 120.200 -0.044 0.000 2.077 96 E HA -0.203 4.147 4.350 0.001 0.000 0.193 96 E C 1.947 178.572 176.600 0.040 0.000 0.989 96 E CA 0.956 57.360 56.400 0.007 0.000 0.800 96 E CB -0.077 29.642 29.700 0.031 0.000 0.746 96 E HN 0.177 nan 8.360 nan 0.000 0.452 97 L N -0.023 121.232 121.223 0.053 0.000 2.191 97 L HA -0.019 4.321 4.340 0.001 0.000 0.212 97 L C 1.375 178.258 176.870 0.022 0.000 1.103 97 L CA 1.999 56.879 54.840 0.067 0.000 0.769 97 L CB -0.255 41.856 42.059 0.087 0.000 0.908 97 L HN 0.277 nan 8.230 nan 0.000 0.438 98 G N -1.539 107.263 108.800 0.003 0.000 2.132 98 G HA2 -0.195 3.765 3.960 0.001 0.000 0.228 98 G HA3 -0.195 3.765 3.960 0.001 0.000 0.228 98 G C 0.478 175.378 174.900 -0.000 0.000 1.000 98 G CA 0.215 45.314 45.100 -0.002 0.000 0.693 98 G HN 0.898 nan 8.290 nan 0.000 0.515 99 A N -0.436 122.385 122.820 0.002 0.000 2.546 99 A HA 0.540 4.860 4.320 0.001 0.000 0.243 99 A C 1.240 178.842 177.584 0.030 0.000 1.063 99 A CA 1.302 53.353 52.037 0.024 0.000 0.757 99 A CB 0.248 19.266 19.000 0.030 0.000 0.991 99 A HN 0.598 nan 8.150 nan 0.000 0.503 100 Q N 0.890 120.717 119.800 0.045 0.000 2.302 100 Q HA 0.195 4.535 4.340 0.001 0.000 0.202 100 Q C 0.233 176.276 176.000 0.072 0.000 0.936 100 Q CA 0.818 56.649 55.803 0.046 0.000 0.886 100 Q CB 0.486 29.247 28.738 0.038 0.000 0.986 100 Q HN 0.580 nan 8.270 nan 0.000 0.487 101 V N -0.181 119.800 119.914 0.111 0.000 2.841 101 V HA 0.418 4.538 4.120 0.001 0.000 0.310 101 V C -2.162 174.066 176.094 0.224 0.000 1.090 101 V CA -0.955 61.432 62.300 0.144 0.000 0.930 101 V CB 1.961 33.886 31.823 0.170 0.000 1.014 101 V HN 0.142 nan 8.190 nan 0.000 0.425 102 Y N 6.486 126.825 120.300 0.065 0.000 2.326 102 Y HA 0.615 5.165 4.550 0.001 0.000 0.331 102 Y C -0.170 175.803 175.900 0.123 0.000 0.962 102 Y CA -1.114 57.048 58.100 0.102 0.000 1.167 102 Y CB 1.237 39.763 38.460 0.110 0.000 1.148 102 Y HN 0.780 nan 8.280 nan 0.000 0.463 103 R N 7.415 127.865 120.500 -0.083 0.000 2.221 103 R HA 0.524 4.864 4.340 0.001 0.000 0.327 103 R C -1.593 174.443 176.300 -0.440 0.000 1.033 103 R CA -0.209 55.729 56.100 -0.269 0.000 0.887 103 R CB 0.215 30.461 30.300 -0.089 0.000 1.057 103 R HN 0.601 nan 8.270 nan 0.000 0.455 104 F N 0.785 120.395 119.950 -0.565 0.000 2.650 104 F HA 0.645 5.172 4.527 0.001 0.000 0.320 104 F C -0.986 174.676 175.800 -0.230 0.000 1.091 104 F CA -1.137 56.578 58.000 -0.476 0.000 0.962 104 F CB 1.344 39.954 39.000 -0.649 0.000 1.363 104 F HN 0.439 nan 8.300 nan 0.000 0.482 105 S N 0.836 116.566 115.700 0.050 0.000 2.648 105 S HA 0.784 5.255 4.470 0.001 0.000 0.305 105 S C -1.035 173.616 174.600 0.085 0.000 1.094 105 S CA -0.761 57.426 58.200 -0.020 0.000 0.983 105 S CB 1.624 64.853 63.200 0.047 0.000 1.101 105 S HN 0.729 nan 8.310 nan 0.000 0.514 106 I N 2.016 122.547 120.570 -0.066 0.000 2.359 106 I HA 0.304 4.474 4.170 0.001 0.000 0.294 106 I C 0.350 176.554 176.117 0.144 0.000 0.987 106 I CA -0.507 60.646 61.300 -0.245 0.000 1.225 106 I CB 1.949 39.663 38.000 -0.477 0.000 1.366 106 I HN 0.763 nan 8.210 nan 0.000 0.466 107 S N 6.511 122.401 115.700 0.317 0.000 2.430 107 S HA -0.007 4.463 4.470 0.001 0.000 0.282 107 S C 0.875 175.731 174.600 0.427 0.000 1.186 107 S CA -0.365 58.075 58.200 0.401 0.000 1.060 107 S CB 0.185 63.646 63.200 0.435 0.000 0.966 107 S HN 0.698 nan 8.310 nan 0.000 0.501 108 W N 5.452 126.823 121.300 0.118 0.000 2.318 108 W HA -0.231 4.430 4.660 0.001 0.000 0.313 108 W C 1.970 178.471 176.519 -0.029 0.000 1.221 108 W CA 1.895 59.127 57.345 -0.188 0.000 1.266 108 W CB -1.099 28.079 29.460 -0.470 0.000 1.150 108 W HN 0.844 nan 8.180 nan 0.000 0.496 109 A N 0.158 123.163 122.820 0.308 0.000 2.168 109 A HA -0.076 4.244 4.320 0.001 0.000 0.215 109 A C 2.098 179.810 177.584 0.214 0.000 1.152 109 A CA 1.262 53.413 52.037 0.190 0.000 0.716 109 A CB -0.723 18.337 19.000 0.102 0.000 0.794 109 A HN 0.369 nan 8.150 nan 0.000 0.465 110 R N -0.634 120.034 120.500 0.280 0.000 2.115 110 R HA -0.019 4.321 4.340 0.001 0.000 0.226 110 R C 1.504 177.991 176.300 0.312 0.000 1.100 110 R CA 1.469 57.728 56.100 0.265 0.000 0.980 110 R CB -0.048 30.451 30.300 0.332 0.000 0.875 110 R HN 0.347 nan 8.270 nan 0.000 0.445 111 V N 0.463 120.608 119.914 0.385 0.000 2.492 111 V HA 0.039 4.159 4.120 0.001 0.000 0.241 111 V C 0.960 177.231 176.094 0.295 0.000 1.041 111 V CA 0.896 63.423 62.300 0.380 0.000 1.057 111 V CB 0.145 32.245 31.823 0.463 0.000 0.711 111 V HN 0.157 nan 8.190 nan 0.000 0.468 112 L N 1.151 122.565 121.223 0.319 0.000 2.408 112 L HA 0.324 4.664 4.340 0.001 0.000 0.257 112 L C -2.064 174.924 176.870 0.198 0.000 1.053 112 L CA -1.313 53.690 54.840 0.271 0.000 0.922 112 L CB 1.636 43.911 42.059 0.360 0.000 1.261 112 L HN 0.134 nan 8.230 nan 0.000 0.458 113 P HA -0.107 nan 4.420 nan 0.000 0.222 113 P C 0.766 178.088 177.300 0.038 0.000 1.147 113 P CA 1.124 64.273 63.100 0.082 0.000 0.790 113 P CB 0.369 32.107 31.700 0.063 0.000 0.780 114 E N -1.786 118.442 120.200 0.047 0.000 2.474 114 E HA 0.195 4.545 4.350 0.001 0.000 0.195 114 E C 1.415 177.991 176.600 -0.040 0.000 1.039 114 E CA 0.425 56.842 56.400 0.028 0.000 0.881 114 E CB -0.074 29.669 29.700 0.072 0.000 0.970 114 E HN 0.135 nan 8.360 nan 0.000 0.486 115 G N 1.790 110.534 108.800 -0.093 0.000 3.329 115 G HA2 -0.293 3.668 3.960 0.001 0.000 0.220 115 G HA3 -0.293 3.668 3.960 0.001 0.000 0.220 115 G C 0.388 175.223 174.900 -0.108 0.000 1.358 115 G CA 0.208 45.127 45.100 -0.302 0.000 0.856 115 G HN 0.379 nan 8.290 nan 0.000 0.551 116 H N 2.209 121.228 119.070 -0.085 0.000 2.822 116 H HA 0.265 4.821 4.556 0.001 0.000 0.373 116 H C 1.022 176.394 175.328 0.072 0.000 1.223 116 H CA 1.016 57.023 56.048 -0.068 0.000 1.436 116 H CB 0.692 30.356 29.762 -0.163 0.000 1.439 116 H HN 0.593 nan 8.280 nan 0.000 0.618 117 D N 0.294 120.820 120.400 0.210 0.000 2.336 117 D HA -0.112 4.528 4.640 0.001 0.000 0.228 117 D C 0.938 177.315 176.300 0.129 0.000 1.120 117 D CA -0.201 53.902 54.000 0.172 0.000 0.839 117 D CB -0.379 40.517 40.800 0.160 0.000 0.932 117 D HN 0.506 nan 8.370 nan 0.000 0.509 118 N N 0.949 119.719 118.700 0.117 0.000 2.244 118 N HA -0.118 4.622 4.740 0.001 0.000 0.183 118 N C 0.404 175.958 175.510 0.072 0.000 1.016 118 N CA 0.468 53.564 53.050 0.076 0.000 0.866 118 N CB 0.171 38.686 38.487 0.046 0.000 0.980 118 N HN 0.295 nan 8.380 nan 0.000 0.430 119 I N 1.383 122.005 120.570 0.087 0.000 2.418 119 I HA 0.245 4.415 4.170 0.001 0.000 0.287 119 I C -0.940 175.239 176.117 0.104 0.000 1.008 119 I CA -0.899 60.450 61.300 0.081 0.000 1.104 119 I CB 2.578 40.619 38.000 0.069 0.000 1.264 119 I HN -0.264 nan 8.210 nan 0.000 0.438 120 V N 5.318 125.290 119.914 0.096 0.000 2.370 120 V HA 0.259 4.379 4.120 0.001 0.000 0.283 120 V C 0.080 176.240 176.094 0.111 0.000 1.023 120 V CA -0.728 61.640 62.300 0.114 0.000 0.857 120 V CB 1.590 33.470 31.823 0.095 0.000 0.985 120 V HN 0.648 nan 8.190 nan 0.000 0.443 121 N N 3.499 122.282 118.700 0.137 0.000 2.402 121 N HA 0.093 4.834 4.740 0.001 0.000 0.252 121 N C 0.899 176.493 175.510 0.141 0.000 1.118 121 N CA -0.024 53.101 53.050 0.126 0.000 0.945 121 N CB 1.378 39.945 38.487 0.134 0.000 1.147 121 N HN 0.667 nan 8.380 nan 0.000 0.495 122 Q N 2.868 122.734 119.800 0.111 0.000 2.181 122 Q HA -0.175 4.165 4.340 0.001 0.000 0.205 122 Q C 0.937 177.017 176.000 0.132 0.000 0.980 122 Q CA 1.894 57.764 55.803 0.113 0.000 0.862 122 Q CB -0.182 28.605 28.738 0.082 0.000 0.905 122 Q HN 0.804 nan 8.270 nan 0.000 0.429 123 D N -1.535 118.939 120.400 0.123 0.000 2.117 123 D HA -0.117 4.523 4.640 0.001 0.000 0.197 123 D C 1.751 178.163 176.300 0.185 0.000 0.987 123 D CA 1.553 55.635 54.000 0.135 0.000 0.829 123 D CB -0.552 40.319 40.800 0.119 0.000 0.961 123 D HN 0.412 nan 8.370 nan 0.000 0.460 124 G N 0.605 109.535 108.800 0.218 0.000 2.418 124 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 124 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 124 G C 1.558 176.717 174.900 0.431 0.000 1.158 124 G CA 0.649 45.940 45.100 0.318 0.000 0.771 124 G HN 0.252 nan 8.290 nan 0.000 0.545 125 I N 1.819 122.623 120.570 0.391 0.000 2.163 125 I HA -0.119 4.051 4.170 0.001 0.000 0.243 125 I C 2.240 178.579 176.117 0.370 0.000 1.085 125 I CA 1.320 62.895 61.300 0.458 0.000 1.347 125 I CB -0.962 37.179 38.000 0.234 0.000 1.044 125 I HN 0.104 nan 8.210 nan 0.000 0.408 126 D N -0.137 120.389 120.400 0.211 0.000 2.117 126 D HA -0.232 4.409 4.640 0.001 0.000 0.197 126 D C 2.084 178.391 176.300 0.012 0.000 0.987 126 D CA 1.144 55.213 54.000 0.114 0.000 0.829 126 D CB -0.482 40.367 40.800 0.083 0.000 0.961 126 D HN 0.355 nan 8.370 nan 0.000 0.460 127 Y N 0.689 120.887 120.300 -0.170 0.000 2.114 127 Y HA -0.303 4.247 4.550 0.001 0.000 0.284 127 Y C 2.019 177.575 175.900 -0.573 0.000 1.143 127 Y CA 1.532 59.345 58.100 -0.478 0.000 1.135 127 Y CB -0.818 37.308 38.460 -0.556 0.000 0.980 127 Y HN -0.030 nan 8.280 nan 0.000 0.499 128 Y N 0.412 120.500 120.300 -0.354 0.000 2.274 128 Y HA -0.203 4.347 4.550 0.001 0.000 0.290 128 Y C 2.461 178.077 175.900 -0.474 0.000 1.145 128 Y CA 1.450 59.187 58.100 -0.605 0.000 1.203 128 Y CB -0.918 37.155 38.460 -0.645 0.000 0.984 128 Y HN 0.205 nan 8.280 nan 0.000 0.533 129 N N 0.273 118.975 118.700 0.003 0.000 2.120 129 N HA -0.170 4.571 4.740 0.001 0.000 0.188 129 N C 1.433 176.876 175.510 -0.111 0.000 1.024 129 N CA 1.178 54.269 53.050 0.067 0.000 0.852 129 N CB -0.466 38.139 38.487 0.197 0.000 1.003 129 N HN 0.371 nan 8.380 nan 0.000 0.424 130 N N 1.091 119.641 118.700 -0.251 0.000 2.104 130 N HA -0.129 4.612 4.740 0.001 0.000 0.190 130 N C 1.791 177.067 175.510 -0.391 0.000 1.024 130 N CA 0.484 53.351 53.050 -0.305 0.000 0.853 130 N CB -0.576 37.650 38.487 -0.435 0.000 1.008 130 N HN 0.202 nan 8.380 nan 0.000 0.424 131 L N 1.180 121.963 121.223 -0.733 0.000 2.017 131 L HA 0.013 4.354 4.340 0.001 0.000 0.208 131 L C 1.968 178.669 176.870 -0.281 0.000 1.073 131 L CA 1.298 55.790 54.840 -0.580 0.000 0.745 131 L CB -0.654 40.859 42.059 -0.910 0.000 0.894 131 L HN 0.096 nan 8.230 nan 0.000 0.432 132 I N 0.116 120.546 120.570 -0.234 0.000 2.163 132 I HA -0.321 3.849 4.170 0.001 0.000 0.243 132 I C 2.062 178.164 176.117 -0.025 0.000 1.085 132 I CA 1.361 62.621 61.300 -0.067 0.000 1.347 132 I CB -0.572 37.418 38.000 -0.016 0.000 1.044 132 I HN 0.393 nan 8.210 nan 0.000 0.408 133 N N 0.418 119.101 118.700 -0.027 0.000 2.188 133 N HA -0.205 4.535 4.740 0.001 0.000 0.184 133 N C 1.811 177.325 175.510 0.007 0.000 1.018 133 N CA 1.107 54.159 53.050 0.005 0.000 0.858 133 N CB -0.299 38.196 38.487 0.014 0.000 0.989 133 N HN 0.344 nan 8.380 nan 0.000 0.426 134 E N 1.037 121.243 120.200 0.010 0.000 2.072 134 E HA -0.009 4.342 4.350 0.001 0.000 0.191 134 E C 2.014 178.611 176.600 -0.005 0.000 0.985 134 E CA 0.671 57.084 56.400 0.022 0.000 0.801 134 E CB -0.241 29.512 29.700 0.088 0.000 0.750 134 E HN 0.265 nan 8.360 nan 0.000 0.452 135 L N -0.100 121.118 121.223 -0.007 0.000 1.989 135 L HA -0.199 4.142 4.340 0.001 0.000 0.211 135 L C 2.532 179.408 176.870 0.009 0.000 1.071 135 L CA 1.177 56.019 54.840 0.003 0.000 0.749 135 L CB -0.485 41.603 42.059 0.048 0.000 0.890 135 L HN 0.221 nan 8.230 nan 0.000 0.431 136 L N -0.522 120.710 121.223 0.014 0.000 2.083 136 L HA -0.179 4.161 4.340 0.001 0.000 0.209 136 L C 2.781 179.656 176.870 0.009 0.000 1.083 136 L CA 1.032 55.881 54.840 0.015 0.000 0.752 136 L CB -0.703 41.368 42.059 0.020 0.000 0.899 136 L HN 0.254 nan 8.230 nan 0.000 0.433 137 A N -0.486 122.337 122.820 0.005 0.000 2.070 137 A HA -0.142 4.178 4.320 0.001 0.000 0.220 137 A C 1.739 179.319 177.584 -0.007 0.000 1.159 137 A CA 1.337 53.374 52.037 0.000 0.000 0.656 137 A CB -0.371 18.628 19.000 -0.001 0.000 0.800 137 A HN 0.472 nan 8.150 nan 0.000 0.453 138 N N -0.893 117.800 118.700 -0.012 0.000 2.214 138 N HA 0.180 4.920 4.740 0.001 0.000 0.214 138 N C 0.823 176.326 175.510 -0.013 0.000 1.132 138 N CA 0.717 53.755 53.050 -0.020 0.000 0.856 138 N CB 0.595 39.059 38.487 -0.039 0.000 1.020 138 N HN 0.540 nan 8.380 nan 0.000 0.509 139 G N 1.578 110.377 108.800 -0.002 0.000 2.176 139 G HA2 -0.267 3.693 3.960 0.001 0.000 0.252 139 G HA3 -0.267 3.693 3.960 0.001 0.000 0.252 139 G C -0.088 174.819 174.900 0.011 0.000 1.024 139 G CA 0.044 45.147 45.100 0.005 0.000 0.755 139 G HN 0.327 nan 8.290 nan 0.000 0.507 140 I N 0.170 120.749 120.570 0.015 0.000 2.378 140 I HA 0.358 4.529 4.170 0.001 0.000 0.291 140 I C 0.417 176.564 176.117 0.050 0.000 0.992 140 I CA -0.804 60.516 61.300 0.033 0.000 1.154 140 I CB 1.827 39.844 38.000 0.027 0.000 1.315 140 I HN 0.204 nan 8.210 nan 0.000 0.448 141 E N 8.429 128.660 120.200 0.052 0.000 2.259 141 E HA 0.277 4.627 4.350 0.001 0.000 0.281 141 E C -2.327 174.301 176.600 0.046 0.000 1.037 141 E CA -1.828 54.591 56.400 0.031 0.000 0.854 141 E CB 0.976 30.682 29.700 0.010 0.000 1.051 141 E HN 0.215 nan 8.360 nan 0.000 0.409 142 P HA 0.072 nan 4.420 nan 0.000 0.280 142 P C -0.959 176.197 177.300 -0.239 0.000 1.244 142 P CA -0.083 63.027 63.100 0.017 0.000 0.784 142 P CB 0.785 32.520 31.700 0.059 0.000 0.913 143 M N 3.775 123.158 119.600 -0.362 0.000 2.142 143 M HA 0.353 4.834 4.480 0.001 0.000 0.299 143 M C -1.818 174.029 176.300 -0.755 0.000 0.960 143 M CA -0.821 54.173 55.300 -0.510 0.000 0.920 143 M CB 1.492 33.844 32.600 -0.412 0.000 1.541 143 M HN -0.037 nan 8.290 nan 0.000 0.429 144 V N 4.167 123.594 119.914 -0.813 0.000 2.384 144 V HA 0.395 4.515 4.120 0.001 0.000 0.287 144 V C -0.024 175.836 176.094 -0.391 0.000 1.020 144 V CA -0.498 61.267 62.300 -0.892 0.000 0.850 144 V CB 1.781 33.001 31.823 -1.006 0.000 0.987 144 V HN 0.863 nan 8.190 nan 0.000 0.436 145 T N 6.959 121.322 114.554 -0.319 0.000 2.749 145 T HA 0.290 4.640 4.350 0.001 0.000 0.295 145 T C 1.265 175.929 174.700 -0.059 0.000 0.936 145 T CA -0.184 61.860 62.100 -0.093 0.000 1.060 145 T CB 0.975 69.855 68.868 0.019 0.000 0.904 145 T HN 0.512 nan 8.240 nan 0.000 0.500 146 M N 1.929 121.502 119.600 -0.045 0.000 2.156 146 M HA 0.043 4.524 4.480 0.001 0.000 0.264 146 M C 0.312 176.717 176.300 0.175 0.000 1.067 146 M CA 1.375 56.630 55.300 -0.074 0.000 1.131 146 M CB 0.075 32.480 32.600 -0.326 0.000 1.368 146 M HN 0.583 nan 8.290 nan 0.000 0.416 147 Y N 0.045 120.337 120.300 -0.013 0.000 2.363 147 Y HA 0.275 4.826 4.550 0.001 0.000 0.325 147 Y C -0.754 175.269 175.900 0.205 0.000 0.984 147 Y CA -0.885 57.301 58.100 0.144 0.000 1.248 147 Y CB 0.513 38.990 38.460 0.028 0.000 1.116 147 Y HN 0.074 nan 8.280 nan 0.000 0.470 148 H N 6.120 124.975 119.070 -0.359 0.000 2.500 148 H HA 0.210 4.766 4.556 0.001 0.000 0.243 148 H C -0.824 174.242 175.328 -0.436 0.000 1.318 148 H CA -0.139 55.685 56.048 -0.373 0.000 1.077 148 H CB 0.026 29.644 29.762 -0.239 0.000 1.748 148 H HN 0.855 nan 8.280 nan 0.000 0.556 149 W N -0.021 120.675 121.300 -1.006 0.000 1.124 149 W HA -0.210 4.450 4.660 0.001 0.000 0.238 149 W C -0.224 176.231 176.519 -0.108 0.000 0.984 149 W CA 0.609 57.597 57.345 -0.595 0.000 0.381 149 W CB -1.988 27.237 29.460 -0.392 0.000 1.990 149 W HN 0.583 nan 8.180 nan 0.000 1.123 150 D N 1.134 121.564 120.400 0.051 0.000 3.110 150 D HA 0.375 5.016 4.640 0.001 0.000 0.254 150 D C 0.312 176.816 176.300 0.339 0.000 1.283 150 D CA -0.366 53.831 54.000 0.328 0.000 0.944 150 D CB -0.401 40.606 40.800 0.344 0.000 1.066 150 D HN 0.106 nan 8.370 nan 0.000 0.496 151 L N 1.145 122.636 121.223 0.446 0.000 2.499 151 L HA 0.218 4.558 4.340 0.001 0.000 0.273 151 L C -2.340 174.468 176.870 -0.103 0.000 1.195 151 L CA -1.182 53.788 54.840 0.215 0.000 0.882 151 L CB 0.222 42.369 42.059 0.146 0.000 1.133 151 L HN -0.044 nan 8.230 nan 0.000 0.483 152 P HA -0.026 nan 4.420 nan 0.000 0.262 152 P C -0.205 176.942 177.300 -0.254 0.000 1.182 152 P CA 0.109 63.006 63.100 -0.339 0.000 0.761 152 P CB 0.580 31.936 31.700 -0.573 0.000 0.795 153 Q N 4.728 124.450 119.800 -0.130 0.000 2.181 153 Q HA -0.213 4.127 4.340 0.001 0.000 0.205 153 Q C 1.920 177.849 176.000 -0.118 0.000 0.980 153 Q CA 2.345 58.088 55.803 -0.100 0.000 0.862 153 Q CB -1.075 27.638 28.738 -0.041 0.000 0.905 153 Q HN 0.520 nan 8.270 nan 0.000 0.429 154 A N -0.230 122.510 122.820 -0.133 0.000 2.019 154 A HA -0.119 4.201 4.320 0.001 0.000 0.219 154 A C 1.942 179.432 177.584 -0.157 0.000 1.164 154 A CA 1.395 53.366 52.037 -0.111 0.000 0.644 154 A CB -0.531 18.420 19.000 -0.081 0.000 0.805 154 A HN 0.460 nan 8.150 nan 0.000 0.449 155 L N -1.637 119.413 121.223 -0.289 0.000 2.162 155 L HA -0.086 4.254 4.340 0.001 0.000 0.205 155 L C 2.671 179.405 176.870 -0.228 0.000 1.086 155 L CA 1.179 55.828 54.840 -0.319 0.000 0.778 155 L CB -0.473 41.250 42.059 -0.560 0.000 0.928 155 L HN 0.416 nan 8.230 nan 0.000 0.446 156 Q N 0.803 120.477 119.800 -0.210 0.000 2.170 156 Q HA -0.222 4.118 4.340 0.001 0.000 0.203 156 Q C 1.507 177.474 176.000 -0.055 0.000 0.976 156 Q CA 1.664 57.400 55.803 -0.112 0.000 0.858 156 Q CB -0.176 28.513 28.738 -0.082 0.000 0.907 156 Q HN 0.329 nan 8.270 nan 0.000 0.433 157 D N -0.531 119.835 120.400 -0.057 0.000 2.310 157 D HA -0.078 4.562 4.640 0.001 0.000 0.212 157 D C 1.062 177.358 176.300 -0.006 0.000 0.965 157 D CA 0.653 54.639 54.000 -0.023 0.000 0.879 157 D CB 0.061 40.849 40.800 -0.021 0.000 0.921 157 D HN 0.356 nan 8.370 nan 0.000 0.510 158 L N -1.153 120.066 121.223 -0.007 0.000 2.599 158 L HA 0.214 4.555 4.340 0.001 0.000 0.230 158 L C 1.659 178.531 176.870 0.004 0.000 1.141 158 L CA 0.458 55.309 54.840 0.020 0.000 0.877 158 L CB 0.131 42.232 42.059 0.070 0.000 1.009 158 L HN 0.142 nan 8.230 nan 0.000 0.447 159 G N -1.331 107.466 108.800 -0.004 0.000 2.284 159 G HA2 -0.079 3.882 3.960 0.001 0.000 0.201 159 G HA3 -0.079 3.882 3.960 0.001 0.000 0.201 159 G C 0.734 175.636 174.900 0.003 0.000 0.998 159 G CA -0.333 44.773 45.100 0.009 0.000 0.651 159 G HN 0.678 nan 8.290 nan 0.000 0.489 160 G N -0.496 108.255 108.800 -0.082 0.000 2.552 160 G HA2 -0.269 3.691 3.960 0.001 0.000 0.265 160 G HA3 -0.269 3.691 3.960 0.001 0.000 0.265 160 G C 0.855 175.585 174.900 -0.284 0.000 1.234 160 G CA 0.846 45.828 45.100 -0.197 0.000 0.944 160 G HN 1.037 nan 8.290 nan 0.000 0.568 161 W N 0.823 122.074 121.300 -0.082 0.000 2.350 161 W HA 0.083 4.744 4.660 0.001 0.000 0.289 161 W C -0.089 176.274 176.519 -0.259 0.000 1.215 161 W CA 1.697 58.951 57.345 -0.152 0.000 1.236 161 W CB -1.027 28.415 29.460 -0.030 0.000 1.130 161 W HN 0.430 nan 8.180 nan 0.000 0.541 162 P HA -0.149 nan 4.420 nan 0.000 0.225 162 P C 0.254 177.519 177.300 -0.060 0.000 1.148 162 P CA 1.368 64.371 63.100 -0.163 0.000 0.779 162 P CB -0.077 31.487 31.700 -0.227 0.000 0.780 163 N N 0.487 119.148 118.700 -0.065 0.000 2.420 163 N HA 0.032 4.773 4.740 0.001 0.000 0.249 163 N C 0.854 176.335 175.510 -0.048 0.000 1.033 163 N CA -0.248 52.771 53.050 -0.052 0.000 0.944 163 N CB 0.354 38.805 38.487 -0.059 0.000 1.113 163 N HN -0.190 nan 8.380 nan 0.000 0.502 164 L N 5.639 126.844 121.223 -0.031 0.000 2.349 164 L HA -0.122 4.218 4.340 0.001 0.000 0.220 164 L C 2.019 178.815 176.870 -0.123 0.000 1.130 164 L CA 1.293 56.113 54.840 -0.033 0.000 0.791 164 L CB -0.524 41.506 42.059 -0.049 0.000 0.918 164 L HN 0.589 nan 8.230 nan 0.000 0.444 165 V N -3.901 115.896 119.914 -0.196 0.000 2.688 165 V HA -0.237 3.884 4.120 0.001 0.000 0.256 165 V C 2.306 177.956 176.094 -0.740 0.000 1.084 165 V CA 1.524 63.579 62.300 -0.409 0.000 1.103 165 V CB -1.032 30.570 31.823 -0.369 0.000 0.688 165 V HN 0.353 nan 8.190 nan 0.000 0.480 166 L N 0.945 121.912 121.223 -0.428 0.000 2.265 166 L HA 0.082 4.423 4.340 0.001 0.000 0.215 166 L C 2.782 179.675 176.870 0.038 0.000 1.117 166 L CA 1.811 56.493 54.840 -0.263 0.000 0.782 166 L CB -1.078 40.795 42.059 -0.309 0.000 0.914 166 L HN 0.406 nan 8.230 nan 0.000 0.441 167 A N -0.665 122.196 122.820 0.068 0.000 1.902 167 A HA -0.245 4.076 4.320 0.001 0.000 0.217 167 A C 2.374 180.059 177.584 0.169 0.000 1.181 167 A CA 1.853 54.020 52.037 0.217 0.000 0.623 167 A CB -0.379 18.732 19.000 0.186 0.000 0.818 167 A HN 0.277 nan 8.150 nan 0.000 0.443 168 K N -1.038 119.375 120.400 0.021 0.000 2.097 168 K HA -0.101 4.219 4.320 0.001 0.000 0.205 168 K C 1.624 178.372 176.600 0.246 0.000 1.050 168 K CA 1.380 57.719 56.287 0.087 0.000 0.938 168 K CB -0.562 31.953 32.500 0.024 0.000 0.718 168 K HN 0.485 nan 8.250 nan 0.000 0.442 169 Y N 0.611 121.030 120.300 0.199 0.000 2.224 169 Y HA -0.085 4.465 4.550 0.001 0.000 0.289 169 Y C 2.439 178.540 175.900 0.335 0.000 1.146 169 Y CA 1.004 59.256 58.100 0.253 0.000 1.182 169 Y CB -0.948 37.625 38.460 0.189 0.000 0.983 169 Y HN 0.026 nan 8.280 nan 0.000 0.524 170 S N -0.345 115.657 115.700 0.503 0.000 2.368 170 S HA -0.201 4.269 4.470 0.001 0.000 0.224 170 S C 1.999 176.689 174.600 0.150 0.000 1.029 170 S CA 1.200 59.612 58.200 0.352 0.000 0.988 170 S CB -0.258 63.273 63.200 0.550 0.000 0.838 170 S HN 0.568 nan 8.310 nan 0.000 0.462 171 E N 1.493 121.806 120.200 0.189 0.000 2.058 171 E HA -0.234 4.117 4.350 0.001 0.000 0.194 171 E C 1.507 178.151 176.600 0.073 0.000 0.997 171 E CA 1.323 57.795 56.400 0.121 0.000 0.801 171 E CB -0.116 29.684 29.700 0.166 0.000 0.746 171 E HN 0.323 nan 8.360 nan 0.000 0.450 172 N N -0.239 118.549 118.700 0.146 0.000 2.188 172 N HA -0.165 4.575 4.740 0.001 0.000 0.184 172 N C 1.564 177.111 175.510 0.061 0.000 1.018 172 N CA 1.034 54.164 53.050 0.132 0.000 0.858 172 N CB -0.616 37.997 38.487 0.210 0.000 0.989 172 N HN 0.324 nan 8.380 nan 0.000 0.426 173 Y N 1.687 121.888 120.300 -0.165 0.000 2.145 173 Y HA -0.094 4.457 4.550 0.001 0.000 0.286 173 Y C 2.223 177.850 175.900 -0.454 0.000 1.145 173 Y CA 1.487 59.336 58.100 -0.418 0.000 1.148 173 Y CB -0.829 37.016 38.460 -1.024 0.000 0.981 173 Y HN 0.057 nan 8.280 nan 0.000 0.507 174 A N 0.838 123.255 122.820 -0.671 0.000 1.933 174 A HA -0.213 4.107 4.320 0.001 0.000 0.218 174 A C 2.477 179.530 177.584 -0.884 0.000 1.175 174 A CA 1.786 53.209 52.037 -1.023 0.000 0.628 174 A CB -0.884 17.599 19.000 -0.862 0.000 0.814 174 A HN 0.555 nan 8.150 nan 0.000 0.444 175 R N -0.315 119.976 120.500 -0.347 0.000 2.091 175 R HA -0.120 4.221 4.340 0.001 0.000 0.238 175 R C 1.922 178.107 176.300 -0.192 0.000 1.136 175 R CA 1.865 57.911 56.100 -0.089 0.000 0.959 175 R CB -0.448 29.928 30.300 0.126 0.000 0.856 175 R HN 0.319 nan 8.270 nan 0.000 0.437 176 V N 1.527 121.321 119.914 -0.201 0.000 2.332 176 V HA -0.270 3.850 4.120 0.001 0.000 0.248 176 V C 2.387 178.287 176.094 -0.323 0.000 1.055 176 V CA 1.762 63.956 62.300 -0.177 0.000 1.038 176 V CB -0.413 31.371 31.823 -0.066 0.000 0.651 176 V HN 0.347 nan 8.190 nan 0.000 0.450 177 L N -1.501 119.437 121.223 -0.476 0.000 2.027 177 L HA -0.131 4.209 4.340 0.001 0.000 0.206 177 L C 2.511 179.169 176.870 -0.354 0.000 1.074 177 L CA 1.533 56.148 54.840 -0.376 0.000 0.745 177 L CB -0.721 40.987 42.059 -0.585 0.000 0.898 177 L HN 0.240 nan 8.230 nan 0.000 0.433 178 F N 0.673 120.208 119.950 -0.691 0.000 2.134 178 F HA -0.206 4.321 4.527 0.001 0.000 0.299 178 F C 2.664 178.078 175.800 -0.644 0.000 1.097 178 F CA 1.290 58.761 58.000 -0.882 0.000 1.264 178 F CB -0.798 37.151 39.000 -1.751 0.000 1.001 178 F HN 0.037 nan 8.300 nan 0.000 0.479 179 K N 0.288 120.482 120.400 -0.344 0.000 2.057 179 K HA -0.175 4.145 4.320 0.001 0.000 0.207 179 K C 1.763 178.305 176.600 -0.096 0.000 1.049 179 K CA 1.627 57.898 56.287 -0.026 0.000 0.931 179 K CB -0.221 32.318 32.500 0.066 0.000 0.714 179 K HN 0.245 nan 8.250 nan 0.000 0.440 180 N N -0.764 117.742 118.700 -0.325 0.000 2.333 180 N HA -0.039 4.701 4.740 0.001 0.000 0.178 180 N C 1.059 176.321 175.510 -0.413 0.000 1.018 180 N CA 0.963 53.693 53.050 -0.534 0.000 0.882 180 N CB 0.172 38.026 38.487 -1.055 0.000 0.984 180 N HN 0.172 nan 8.380 nan 0.000 0.434 181 F N -0.711 119.332 119.950 0.156 0.000 2.752 181 F HA 0.368 4.895 4.527 0.001 0.000 0.310 181 F C 2.237 178.189 175.800 0.253 0.000 1.097 181 F CA -0.443 57.672 58.000 0.192 0.000 1.238 181 F CB -0.613 38.514 39.000 0.212 0.000 1.061 181 F HN -0.123 nan 8.300 nan 0.000 0.591 182 G N 0.710 109.794 108.800 0.473 0.000 2.509 182 G HA2 -0.194 3.766 3.960 0.001 0.000 0.218 182 G HA3 -0.194 3.766 3.960 0.001 0.000 0.218 182 G C 1.358 176.452 174.900 0.324 0.000 1.124 182 G CA 1.035 46.458 45.100 0.538 0.000 0.776 182 G HN 0.425 nan 8.290 nan 0.000 0.547 183 D N 0.503 121.042 120.400 0.232 0.000 2.264 183 D HA -0.091 4.549 4.640 0.001 0.000 0.208 183 D C 2.091 178.474 176.300 0.138 0.000 0.966 183 D CA 0.634 54.732 54.000 0.164 0.000 0.864 183 D CB -0.170 40.707 40.800 0.128 0.000 0.933 183 D HN 0.358 nan 8.370 nan 0.000 0.499 184 R N -0.543 120.045 120.500 0.148 0.000 2.394 184 R HA 0.262 4.602 4.340 0.001 0.000 0.220 184 R C -0.135 176.184 176.300 0.031 0.000 0.887 184 R CA -0.086 56.069 56.100 0.091 0.000 1.034 184 R CB 1.661 32.018 30.300 0.095 0.000 1.179 184 R HN -0.040 nan 8.270 nan 0.000 0.561 185 V N 2.185 122.107 119.914 0.012 0.000 2.370 185 V HA 0.222 4.343 4.120 0.001 0.000 0.279 185 V C 0.277 176.256 176.094 -0.192 0.000 1.029 185 V CA -0.308 61.848 62.300 -0.240 0.000 0.870 185 V CB 1.719 33.158 31.823 -0.640 0.000 0.984 185 V HN 0.068 nan 8.190 nan 0.000 0.451 186 K N 4.431 124.700 120.400 -0.219 0.000 2.402 186 K HA 0.448 4.768 4.320 0.001 0.000 0.204 186 K C -0.519 176.000 176.600 -0.136 0.000 1.056 186 K CA 0.166 56.413 56.287 -0.067 0.000 1.069 186 K CB 0.953 33.455 32.500 0.004 0.000 0.888 186 K HN 0.467 nan 8.250 nan 0.000 0.546 187 L N 0.574 121.570 121.223 -0.378 0.000 2.404 187 L HA 0.446 4.786 4.340 0.001 0.000 0.272 187 L C -1.464 175.153 176.870 -0.421 0.000 0.980 187 L CA -0.765 53.909 54.840 -0.277 0.000 0.836 187 L CB 1.339 43.200 42.059 -0.330 0.000 1.238 187 L HN -0.055 nan 8.230 nan 0.000 0.408 188 W N 4.370 125.666 121.300 -0.005 0.000 2.819 188 W HA 0.709 5.370 4.660 0.001 0.000 0.337 188 W C -0.979 175.534 176.519 -0.010 0.000 1.077 188 W CA -0.492 56.809 57.345 -0.073 0.000 1.226 188 W CB 1.862 31.261 29.460 -0.101 0.000 1.419 188 W HN 0.147 nan 8.180 nan 0.000 0.502 189 L N 2.268 123.601 121.223 0.184 0.000 2.356 189 L HA 0.401 4.742 4.340 0.001 0.000 0.277 189 L C 1.342 178.255 176.870 0.072 0.000 0.996 189 L CA -0.513 54.390 54.840 0.106 0.000 0.822 189 L CB 1.991 44.087 42.059 0.062 0.000 1.256 189 L HN 0.684 nan 8.230 nan 0.000 0.413 190 T N -0.381 114.231 114.554 0.096 0.000 2.668 190 T HA 0.055 4.405 4.350 0.001 0.000 0.262 190 T C 0.412 174.943 174.700 -0.282 0.000 1.045 190 T CA 1.065 63.132 62.100 -0.055 0.000 1.152 190 T CB -0.106 68.908 68.868 0.244 0.000 0.864 190 T HN 0.126 nan 8.240 nan 0.000 0.419 191 F N 1.258 121.324 119.950 0.195 0.000 2.577 191 F HA 0.605 5.132 4.527 0.001 0.000 0.318 191 F C -0.193 175.691 175.800 0.140 0.000 1.065 191 F CA -1.536 56.610 58.000 0.242 0.000 0.929 191 F CB 1.857 40.989 39.000 0.220 0.000 1.237 191 F HN 0.082 nan 8.300 nan 0.000 0.468 192 N N 0.938 119.844 118.700 0.343 0.000 2.392 192 N HA 0.257 4.997 4.740 0.001 0.000 0.283 192 N C -1.209 174.484 175.510 0.306 0.000 1.003 192 N CA -0.280 52.817 53.050 0.078 0.000 0.892 192 N CB 0.775 38.964 38.487 -0.498 0.000 1.193 192 N HN 0.638 nan 8.380 nan 0.000 0.487 193 E N 1.774 122.042 120.200 0.113 0.000 2.222 193 E HA -0.168 4.182 4.350 0.001 0.000 0.189 193 E C -1.752 174.766 176.600 -0.135 0.000 1.415 193 E CA 0.118 56.548 56.400 0.051 0.000 0.689 193 E CB -0.551 29.269 29.700 0.200 0.000 1.107 193 E HN 0.669 nan 8.360 nan 0.000 0.350 194 P HA -0.181 nan 4.420 nan 0.000 0.220 194 P C 1.513 178.258 177.300 -0.926 0.000 1.148 194 P CA 0.718 62.966 63.100 -1.419 0.000 0.803 194 P CB 0.149 30.913 31.700 -1.561 0.000 0.782 195 L N 0.178 121.079 121.223 -0.537 0.000 2.079 195 L HA -0.117 4.224 4.340 0.001 0.000 0.210 195 L C 2.110 178.809 176.870 -0.286 0.000 1.081 195 L CA 2.223 56.957 54.840 -0.177 0.000 0.752 195 L CB -1.574 40.443 42.059 -0.070 0.000 0.896 195 L HN -0.072 nan 8.230 nan 0.000 0.433 196 T N -0.378 113.963 114.554 -0.356 0.000 2.770 196 T HA -0.108 4.243 4.350 0.001 0.000 0.258 196 T C 1.551 175.917 174.700 -0.557 0.000 1.039 196 T CA 1.566 63.403 62.100 -0.438 0.000 1.143 196 T CB -0.503 68.102 68.868 -0.439 0.000 0.866 196 T HN 0.569 nan 8.240 nan 0.000 0.428 197 F N 2.343 121.867 119.950 -0.710 0.000 2.407 197 F HA 0.108 4.635 4.527 0.001 0.000 0.299 197 F C 2.193 177.837 175.800 -0.259 0.000 1.097 197 F CA 0.311 57.894 58.000 -0.695 0.000 1.422 197 F CB -1.004 37.502 39.000 -0.823 0.000 1.067 197 F HN 0.070 nan 8.300 nan 0.000 0.539 198 M N 0.400 119.759 119.600 -0.402 0.000 2.279 198 M HA -0.125 4.355 4.480 0.001 0.000 0.264 198 M C 1.186 177.482 176.300 -0.008 0.000 1.062 198 M CA 2.163 57.401 55.300 -0.105 0.000 1.099 198 M CB -0.939 31.547 32.600 -0.191 0.000 1.394 198 M HN 0.156 nan 8.290 nan 0.000 0.426 199 D N 0.959 121.266 120.400 -0.156 0.000 2.350 199 D HA 0.011 4.652 4.640 0.001 0.000 0.216 199 D C 2.111 178.303 176.300 -0.179 0.000 0.968 199 D CA 1.232 55.133 54.000 -0.166 0.000 0.894 199 D CB -0.145 40.523 40.800 -0.220 0.000 0.909 199 D HN 0.557 nan 8.370 nan 0.000 0.520 200 G N -0.999 107.677 108.800 -0.208 0.000 2.535 200 G HA2 -0.225 3.735 3.960 0.001 0.000 0.218 200 G HA3 -0.225 3.735 3.960 0.001 0.000 0.218 200 G C 0.553 175.111 174.900 -0.569 0.000 1.122 200 G CA 0.401 45.272 45.100 -0.382 0.000 0.769 200 G HN 0.359 nan 8.290 nan 0.000 0.549 201 Y N -0.582 119.677 120.300 -0.067 0.000 2.607 201 Y HA 0.543 5.093 4.550 0.001 0.000 0.266 201 Y C 1.682 177.527 175.900 -0.093 0.000 1.178 201 Y CA -0.004 58.062 58.100 -0.056 0.000 1.226 201 Y CB 0.696 39.149 38.460 -0.012 0.000 1.144 201 Y HN 0.183 nan 8.280 nan 0.000 0.528 202 A N -0.772 122.015 122.820 -0.056 0.000 2.609 202 A HA 0.522 4.842 4.320 0.001 0.000 0.286 202 A C 0.263 177.780 177.584 -0.111 0.000 1.138 202 A CA 0.046 52.037 52.037 -0.078 0.000 0.960 202 A CB 0.340 19.281 19.000 -0.099 0.000 1.208 202 A HN 0.040 nan 8.150 nan 0.000 0.541 203 S N -0.959 114.652 115.700 -0.148 0.000 2.548 203 S HA 0.274 4.744 4.470 0.001 0.000 0.278 203 S C 0.073 174.541 174.600 -0.220 0.000 1.150 203 S CA -0.039 58.054 58.200 -0.178 0.000 0.907 203 S CB 1.466 64.550 63.200 -0.193 0.000 1.108 203 S HN 0.347 nan 8.310 nan 0.000 0.459 204 E N 2.633 122.699 120.200 -0.223 0.000 2.347 204 E HA 0.022 4.373 4.350 0.001 0.000 0.196 204 E C 1.202 177.538 176.600 -0.439 0.000 1.008 204 E CA 1.371 57.622 56.400 -0.249 0.000 0.852 204 E CB -0.042 29.551 29.700 -0.179 0.000 0.783 204 E HN 0.746 nan 8.360 nan 0.000 0.505 205 I N -4.005 116.232 120.570 -0.555 0.000 4.050 205 I HA 0.469 4.639 4.170 0.001 0.000 0.327 205 I C 0.773 176.424 176.117 -0.777 0.000 1.473 205 I CA -0.629 60.040 61.300 -1.052 0.000 1.124 205 I CB 0.837 38.374 38.000 -0.773 0.000 1.129 205 I HN -0.076 nan 8.210 nan 0.000 0.428 206 G N 1.133 109.661 108.800 -0.453 0.000 2.890 206 G HA2 0.448 4.408 3.960 0.001 0.000 0.189 206 G HA3 0.448 4.408 3.960 0.001 0.000 0.189 206 G C 0.120 174.899 174.900 -0.201 0.000 1.342 206 G CA -0.812 44.130 45.100 -0.262 0.000 1.026 206 G HN -0.013 nan 8.290 nan 0.000 0.579 207 M N 1.022 120.525 119.600 -0.161 0.000 2.234 207 M HA 0.186 4.667 4.480 0.001 0.000 0.326 207 M C 1.045 177.127 176.300 -0.362 0.000 1.077 207 M CA -0.455 54.762 55.300 -0.138 0.000 1.052 207 M CB 0.064 32.544 32.600 -0.200 0.000 1.607 207 M HN 0.543 nan 8.290 nan 0.000 0.445 208 A N 6.340 128.743 122.820 -0.696 0.000 2.531 208 A HA 0.243 4.563 4.320 0.001 0.000 0.236 208 A C -1.469 175.826 177.584 -0.483 0.000 1.062 208 A CA -0.682 50.897 52.037 -0.764 0.000 0.760 208 A CB -0.593 17.570 19.000 -1.394 0.000 0.995 208 A HN 0.672 nan 8.150 nan 0.000 0.501 209 P HA 0.123 nan 4.420 nan 0.000 0.258 209 P C -0.368 176.730 177.300 -0.338 0.000 1.416 209 P CA 0.134 62.995 63.100 -0.397 0.000 0.927 209 P CB -0.095 31.424 31.700 -0.302 0.000 1.444 210 S N -0.662 114.814 115.700 -0.373 0.000 3.797 210 S HA -0.153 4.318 4.470 0.001 0.000 0.374 210 S C 0.296 174.754 174.600 -0.237 0.000 0.970 210 S CA 0.325 58.353 58.200 -0.286 0.000 1.177 210 S CB -2.535 60.561 63.200 -0.174 0.000 0.891 210 S HN 0.374 nan 8.310 nan 0.000 0.491 211 I N 1.300 121.717 120.570 -0.254 0.000 2.404 211 I HA 0.316 4.486 4.170 0.001 0.000 0.293 211 I C 0.462 176.520 176.117 -0.100 0.000 0.992 211 I CA -0.655 60.563 61.300 -0.137 0.000 1.149 211 I CB 1.526 39.491 38.000 -0.058 0.000 1.315 211 I HN 0.123 nan 8.210 nan 0.000 0.446 212 N N 4.325 122.979 118.700 -0.076 0.000 3.034 212 N HA 0.121 4.862 4.740 0.001 0.000 0.265 212 N C -0.177 175.314 175.510 -0.031 0.000 1.166 212 N CA -0.230 52.776 53.050 -0.073 0.000 1.081 212 N CB 0.181 38.614 38.487 -0.090 0.000 1.378 212 N HN 0.637 nan 8.380 nan 0.000 0.520 213 T N -0.507 114.045 114.554 -0.004 0.000 3.516 213 T HA 0.354 4.704 4.350 0.001 0.000 0.245 213 T C -2.709 171.985 174.700 -0.010 0.000 1.077 213 T CA -1.687 60.421 62.100 0.013 0.000 1.222 213 T CB 0.507 69.404 68.868 0.048 0.000 1.045 213 T HN 0.168 nan 8.240 nan 0.000 0.585 214 P HA 0.250 nan 4.420 nan 0.000 0.266 214 P C 1.209 178.470 177.300 -0.064 0.000 1.195 214 P CA 1.000 64.062 63.100 -0.063 0.000 0.768 214 P CB 0.499 32.175 31.700 -0.040 0.000 0.838 215 G N 2.069 110.773 108.800 -0.161 0.000 2.184 215 G HA2 -0.282 3.678 3.960 0.001 0.000 0.264 215 G HA3 -0.282 3.678 3.960 0.001 0.000 0.264 215 G C 0.556 175.467 174.900 0.019 0.000 0.975 215 G CA 0.507 45.542 45.100 -0.109 0.000 0.642 215 G HN 0.536 nan 8.290 nan 0.000 0.536 216 I N -1.567 118.988 120.570 -0.025 0.000 3.557 216 I HA 0.259 4.430 4.170 0.001 0.000 0.259 216 I C 2.579 178.699 176.117 0.005 0.000 1.108 216 I CA 0.571 61.884 61.300 0.022 0.000 1.536 216 I CB -0.650 37.355 38.000 0.008 0.000 1.727 216 I HN 0.039 nan 8.210 nan 0.000 0.408 217 G N 1.696 110.491 108.800 -0.008 0.000 2.421 217 G HA2 -0.195 3.765 3.960 0.001 0.000 0.217 217 G HA3 -0.195 3.765 3.960 0.001 0.000 0.217 217 G C 1.115 175.989 174.900 -0.043 0.000 1.143 217 G CA 1.189 46.282 45.100 -0.012 0.000 0.784 217 G HN 0.516 nan 8.290 nan 0.000 0.541 218 D N 0.451 120.818 120.400 -0.056 0.000 2.117 218 D HA -0.167 4.473 4.640 0.001 0.000 0.198 218 D C 1.875 178.095 176.300 -0.134 0.000 0.982 218 D CA 0.788 54.727 54.000 -0.100 0.000 0.828 218 D CB -0.752 39.938 40.800 -0.183 0.000 0.967 218 D HN 0.357 nan 8.370 nan 0.000 0.464 219 Y N 0.832 121.068 120.300 -0.107 0.000 2.224 219 Y HA 0.032 4.583 4.550 0.001 0.000 0.289 219 Y C 2.605 178.432 175.900 -0.122 0.000 1.146 219 Y CA 0.399 58.400 58.100 -0.164 0.000 1.182 219 Y CB -0.682 37.642 38.460 -0.228 0.000 0.983 219 Y HN -0.034 nan 8.280 nan 0.000 0.524 220 L N -0.935 120.313 121.223 0.043 0.000 2.046 220 L HA -0.243 4.097 4.340 0.001 0.000 0.208 220 L C 2.650 179.550 176.870 0.051 0.000 1.077 220 L CA 1.131 55.980 54.840 0.014 0.000 0.747 220 L CB -0.810 41.226 42.059 -0.037 0.000 0.896 220 L HN 0.225 nan 8.230 nan 0.000 0.432 221 A N -0.014 122.786 122.820 -0.034 0.000 1.902 221 A HA -0.205 4.115 4.320 0.001 0.000 0.217 221 A C 2.533 180.147 177.584 0.050 0.000 1.181 221 A CA 1.801 53.834 52.037 -0.006 0.000 0.623 221 A CB -0.753 18.176 19.000 -0.119 0.000 0.818 221 A HN 0.411 nan 8.150 nan 0.000 0.443 222 A N -1.165 121.681 122.820 0.045 0.000 1.908 222 A HA -0.204 4.117 4.320 0.001 0.000 0.218 222 A C 2.035 179.733 177.584 0.190 0.000 1.181 222 A CA 2.181 54.275 52.037 0.096 0.000 0.627 222 A CB -0.901 18.070 19.000 -0.048 0.000 0.818 222 A HN 0.710 nan 8.150 nan 0.000 0.445 223 H N -0.294 118.845 119.070 0.115 0.000 2.321 223 H HA -0.084 4.473 4.556 0.001 0.000 0.300 223 H C 2.259 177.760 175.328 0.288 0.000 1.087 223 H CA 2.347 58.501 56.048 0.177 0.000 1.319 223 H CB -0.270 29.530 29.762 0.063 0.000 1.379 223 H HN 0.426 nan 8.280 nan 0.000 0.501 224 T N -0.554 114.195 114.554 0.325 0.000 2.746 224 T HA -0.129 4.222 4.350 0.001 0.000 0.267 224 T C 2.270 177.136 174.700 0.277 0.000 1.039 224 T CA 1.280 63.578 62.100 0.331 0.000 1.142 224 T CB -0.480 68.603 68.868 0.358 0.000 0.866 224 T HN 0.107 nan 8.240 nan 0.000 0.444 225 V N 1.365 121.318 119.914 0.065 0.000 2.343 225 V HA -0.149 3.972 4.120 0.001 0.000 0.247 225 V C 2.356 178.357 176.094 -0.155 0.000 1.051 225 V CA 1.477 63.555 62.300 -0.370 0.000 1.036 225 V CB -0.600 30.788 31.823 -0.726 0.000 0.654 225 V HN 0.485 nan 8.190 nan 0.000 0.451 226 I N -1.067 119.528 120.570 0.042 0.000 2.226 226 I HA -0.236 3.935 4.170 0.001 0.000 0.245 226 I C 2.555 178.728 176.117 0.095 0.000 1.100 226 I CA 1.427 62.767 61.300 0.066 0.000 1.374 226 I CB -0.606 37.418 38.000 0.039 0.000 1.057 226 I HN 0.370 nan 8.210 nan 0.000 0.413 227 H N 0.610 119.761 119.070 0.137 0.000 2.353 227 H HA -0.097 4.459 4.556 0.001 0.000 0.300 227 H C 2.337 177.812 175.328 0.244 0.000 1.090 227 H CA 1.700 57.849 56.048 0.168 0.000 1.327 227 H CB -0.109 29.730 29.762 0.127 0.000 1.383 227 H HN 0.372 nan 8.280 nan 0.000 0.508 228 A N 0.459 123.525 122.820 0.410 0.000 1.873 228 A HA -0.225 4.095 4.320 0.001 0.000 0.215 228 A C 2.217 180.089 177.584 0.479 0.000 1.186 228 A CA 1.912 54.231 52.037 0.470 0.000 0.616 228 A CB -0.897 18.493 19.000 0.650 0.000 0.823 228 A HN 0.568 nan 8.150 nan 0.000 0.442 229 H N 0.146 119.473 119.070 0.429 0.000 2.319 229 H HA -0.058 4.498 4.556 0.001 0.000 0.297 229 H C 2.090 177.575 175.328 0.261 0.000 1.097 229 H CA 2.337 58.617 56.048 0.387 0.000 1.285 229 H CB -0.292 29.623 29.762 0.255 0.000 1.368 229 H HN 0.378 nan 8.280 nan 0.000 0.495 230 A N 0.899 123.816 122.820 0.162 0.000 1.902 230 A HA -0.143 4.177 4.320 0.001 0.000 0.217 230 A C 2.469 180.210 177.584 0.263 0.000 1.181 230 A CA 1.534 53.644 52.037 0.122 0.000 0.623 230 A CB -0.491 18.632 19.000 0.205 0.000 0.818 230 A HN 0.513 nan 8.150 nan 0.000 0.443 231 R N -0.620 120.111 120.500 0.385 0.000 2.081 231 R HA -0.068 4.272 4.340 0.001 0.000 0.235 231 R C 1.977 178.434 176.300 0.262 0.000 1.131 231 R CA 1.615 57.948 56.100 0.388 0.000 0.960 231 R CB -0.495 29.997 30.300 0.320 0.000 0.856 231 R HN 0.584 nan 8.270 nan 0.000 0.436 232 I N -0.594 120.080 120.570 0.173 0.000 2.252 232 I HA -0.301 3.870 4.170 0.001 0.000 0.245 232 I C 2.232 178.425 176.117 0.127 0.000 1.102 232 I CA 1.213 62.583 61.300 0.118 0.000 1.385 232 I CB -0.311 37.689 38.000 -0.001 0.000 1.064 232 I HN 0.136 nan 8.210 nan 0.000 0.414 233 Y N 1.180 121.400 120.300 -0.133 0.000 2.145 233 Y HA -0.311 4.240 4.550 0.001 0.000 0.286 233 Y C 2.824 178.648 175.900 -0.126 0.000 1.145 233 Y CA 1.839 59.825 58.100 -0.190 0.000 1.148 233 Y CB -0.301 37.920 38.460 -0.398 0.000 0.981 233 Y HN 0.181 nan 8.280 nan 0.000 0.507 234 H N -0.802 118.293 119.070 0.040 0.000 2.387 234 H HA -0.171 4.385 4.556 0.001 0.000 0.299 234 H C 2.221 177.543 175.328 -0.011 0.000 1.090 234 H CA 1.671 57.706 56.048 -0.022 0.000 1.332 234 H CB -0.398 29.333 29.762 -0.051 0.000 1.386 234 H HN 0.406 nan 8.280 nan 0.000 0.516 235 L N 0.517 121.854 121.223 0.190 0.000 2.012 235 L HA -0.233 4.107 4.340 0.001 0.000 0.210 235 L C 2.403 179.341 176.870 0.114 0.000 1.073 235 L CA 1.581 56.534 54.840 0.189 0.000 0.748 235 L CB -0.936 41.299 42.059 0.294 0.000 0.891 235 L HN 0.085 nan 8.230 nan 0.000 0.431 236 Y N 0.626 120.832 120.300 -0.157 0.000 2.128 236 Y HA -0.274 4.276 4.550 0.001 0.000 0.284 236 Y C 2.327 178.005 175.900 -0.369 0.000 1.154 236 Y CA 2.102 59.904 58.100 -0.496 0.000 1.149 236 Y CB -0.471 37.499 38.460 -0.817 0.000 0.976 236 Y HN 0.344 nan 8.280 nan 0.000 0.505 237 D N -0.546 119.649 120.400 -0.342 0.000 2.123 237 D HA -0.188 4.452 4.640 0.001 0.000 0.196 237 D C 2.073 178.218 176.300 -0.259 0.000 0.992 237 D CA 1.442 55.247 54.000 -0.326 0.000 0.833 237 D CB -0.144 40.510 40.800 -0.243 0.000 0.954 237 D HN 0.407 nan 8.370 nan 0.000 0.455 238 Q N -0.060 119.631 119.800 -0.180 0.000 2.163 238 Q HA 0.022 4.362 4.340 0.001 0.000 0.198 238 Q C 1.602 177.446 176.000 -0.261 0.000 0.954 238 Q CA 0.820 56.531 55.803 -0.153 0.000 0.851 238 Q CB 0.235 28.938 28.738 -0.058 0.000 0.928 238 Q HN 0.486 nan 8.270 nan 0.000 0.459 239 E N -1.789 118.185 120.200 -0.376 0.000 2.434 239 E HA 0.128 4.478 4.350 0.001 0.000 0.207 239 E C 0.535 176.454 176.600 -1.134 0.000 0.929 239 E CA 0.070 56.036 56.400 -0.722 0.000 1.001 239 E CB 0.593 29.826 29.700 -0.778 0.000 1.016 239 E HN 0.175 nan 8.360 nan 0.000 0.502 240 F N -0.805 118.849 119.950 -0.495 0.000 2.835 240 F HA 0.257 4.784 4.527 0.001 0.000 0.341 240 F C 2.013 177.325 175.800 -0.813 0.000 0.940 240 F CA -0.432 57.189 58.000 -0.631 0.000 1.125 240 F CB 0.381 38.908 39.000 -0.789 0.000 0.974 240 F HN -0.222 nan 8.300 nan 0.000 0.601 241 R N 1.447 121.421 120.500 -0.877 0.000 2.081 241 R HA -0.111 4.229 4.340 0.001 0.000 0.235 241 R C 2.263 178.372 176.300 -0.318 0.000 1.131 241 R CA 1.500 57.150 56.100 -0.749 0.000 0.960 241 R CB -0.349 29.608 30.300 -0.572 0.000 0.856 241 R HN 0.243 nan 8.270 nan 0.000 0.436 242 A N 0.940 123.604 122.820 -0.261 0.000 1.908 242 A HA -0.214 4.106 4.320 0.001 0.000 0.218 242 A C 1.879 179.397 177.584 -0.109 0.000 1.181 242 A CA 1.952 53.897 52.037 -0.153 0.000 0.627 242 A CB -0.394 18.520 19.000 -0.143 0.000 0.818 242 A HN 0.432 nan 8.150 nan 0.000 0.445 243 E N -0.399 119.730 120.200 -0.119 0.000 2.076 243 E HA -0.079 4.272 4.350 0.001 0.000 0.190 243 E C 2.218 178.813 176.600 -0.009 0.000 0.979 243 E CA 1.408 57.776 56.400 -0.054 0.000 0.807 243 E CB -0.169 29.505 29.700 -0.043 0.000 0.761 243 E HN 0.773 nan 8.360 nan 0.000 0.454 244 Q N -1.120 118.671 119.800 -0.014 0.000 2.349 244 Q HA 0.174 4.514 4.340 0.001 0.000 0.209 244 Q C 0.867 176.932 176.000 0.110 0.000 0.920 244 Q CA 0.522 56.374 55.803 0.082 0.000 0.901 244 Q CB 0.637 29.474 28.738 0.165 0.000 1.021 244 Q HN 0.354 nan 8.270 nan 0.000 0.519 245 G N 1.158 109.998 108.800 0.067 0.000 2.198 245 G HA2 -0.256 3.704 3.960 0.001 0.000 0.260 245 G HA3 -0.256 3.704 3.960 0.001 0.000 0.260 245 G C 0.307 175.312 174.900 0.176 0.000 1.025 245 G CA 0.141 45.297 45.100 0.094 0.000 0.769 245 G HN 0.491 nan 8.290 nan 0.000 0.507 246 G N -1.062 107.935 108.800 0.327 0.000 2.583 246 G HA2 0.681 4.642 3.960 0.001 0.000 0.280 246 G HA3 0.681 4.642 3.960 0.001 0.000 0.280 246 G C -0.208 174.864 174.900 0.287 0.000 1.376 246 G CA -0.657 44.623 45.100 0.301 0.000 1.043 246 G HN 0.400 nan 8.290 nan 0.000 0.538 247 K N -0.949 119.583 120.400 0.220 0.000 2.422 247 K HA 0.555 4.875 4.320 0.001 0.000 0.251 247 K C -1.561 175.222 176.600 0.305 0.000 0.933 247 K CA -0.640 55.815 56.287 0.279 0.000 0.798 247 K CB 2.905 35.628 32.500 0.371 0.000 1.238 247 K HN 0.191 nan 8.250 nan 0.000 0.428 248 V N 1.752 121.792 119.914 0.209 0.000 2.487 248 V HA 0.596 4.716 4.120 0.001 0.000 0.298 248 V C 0.251 176.347 176.094 0.003 0.000 1.028 248 V CA -0.511 61.862 62.300 0.123 0.000 0.860 248 V CB 1.509 33.287 31.823 -0.074 0.000 0.991 248 V HN 1.017 nan 8.190 nan 0.000 0.427 249 G N 3.435 112.029 108.800 -0.344 0.000 3.222 249 G HA2 0.867 4.827 3.960 0.001 0.000 0.263 249 G HA3 0.867 4.827 3.960 0.001 0.000 0.263 249 G C -1.454 173.368 174.900 -0.130 0.000 1.312 249 G CA -0.629 44.070 45.100 -0.668 0.000 0.934 249 G HN 0.692 nan 8.290 nan 0.000 0.577 250 I N -0.804 119.697 120.570 -0.114 0.000 2.827 250 I HA 0.549 4.719 4.170 0.001 0.000 0.298 250 I C -1.072 175.054 176.117 0.014 0.000 1.235 250 I CA -0.667 60.650 61.300 0.029 0.000 1.021 250 I CB 2.310 40.282 38.000 -0.048 0.000 1.259 250 I HN 0.375 nan 8.210 nan 0.000 0.427 251 S N 7.237 122.967 115.700 0.049 0.000 2.420 251 S HA 0.598 5.068 4.470 0.001 0.000 0.313 251 S C -0.634 173.969 174.600 0.005 0.000 1.079 251 S CA -0.526 57.703 58.200 0.048 0.000 1.104 251 S CB 0.530 63.763 63.200 0.056 0.000 0.969 251 S HN 0.334 nan 8.310 nan 0.000 0.471 252 L N 4.786 126.010 121.223 0.001 0.000 2.322 252 L HA 0.510 4.850 4.340 0.001 0.000 0.281 252 L C 0.185 177.081 176.870 0.043 0.000 1.014 252 L CA -0.992 53.832 54.840 -0.027 0.000 0.815 252 L CB 1.095 43.135 42.059 -0.032 0.000 1.247 252 L HN 0.586 nan 8.230 nan 0.000 0.421 253 N N 3.646 122.363 118.700 0.029 0.000 2.524 253 N HA 0.567 5.308 4.740 0.001 0.000 0.283 253 N C -1.048 174.523 175.510 0.101 0.000 1.142 253 N CA -0.479 52.619 53.050 0.081 0.000 0.984 253 N CB 2.935 41.447 38.487 0.041 0.000 1.155 253 N HN 0.484 nan 8.380 nan 0.000 0.467 254 I N 0.533 121.207 120.570 0.173 0.000 2.710 254 I HA 0.301 4.472 4.170 0.001 0.000 0.290 254 I C -1.821 174.458 176.117 0.270 0.000 1.318 254 I CA -0.588 60.839 61.300 0.212 0.000 1.045 254 I CB 1.752 39.898 38.000 0.245 0.000 1.307 254 I HN 0.456 nan 8.210 nan 0.000 0.424 255 N N 6.431 125.293 118.700 0.270 0.000 2.518 255 N HA 0.193 4.934 4.740 0.001 0.000 0.283 255 N C -0.896 174.845 175.510 0.385 0.000 1.119 255 N CA -0.369 52.820 53.050 0.231 0.000 0.983 255 N CB 1.293 39.876 38.487 0.160 0.000 1.139 255 N HN 0.676 nan 8.380 nan 0.000 0.465 256 W N 2.077 123.564 121.300 0.312 0.000 2.158 256 W HA 0.186 4.846 4.660 0.001 0.000 0.339 256 W C -0.652 175.888 176.519 0.034 0.000 1.294 256 W CA -0.435 57.040 57.345 0.217 0.000 1.231 256 W CB 0.826 30.422 29.460 0.227 0.000 1.143 256 W HN 0.244 nan 8.180 nan 0.000 0.571 257 C N 6.623 125.178 119.300 -1.241 0.000 2.356 257 C HA 0.269 4.730 4.460 0.001 0.000 0.324 257 C C -0.357 174.024 174.990 -1.015 0.000 1.167 257 C CA -0.538 57.909 59.018 -0.951 0.000 1.420 257 C CB 0.149 27.379 27.740 -0.849 0.000 2.036 257 C HN 0.649 nan 8.230 nan 0.000 0.435 258 E N 6.441 126.427 120.200 -0.357 0.000 2.227 258 E HA 0.513 4.863 4.350 0.001 0.000 0.282 258 E C -2.521 174.152 176.600 0.122 0.000 1.015 258 E CA -1.909 54.590 56.400 0.166 0.000 0.823 258 E CB 1.062 31.185 29.700 0.705 0.000 1.081 258 E HN 0.447 nan 8.360 nan 0.000 0.396 259 P HA 0.005 nan 4.420 nan 0.000 0.264 259 P C -0.280 177.086 177.300 0.110 0.000 1.193 259 P CA 0.246 63.402 63.100 0.093 0.000 0.763 259 P CB 1.130 32.894 31.700 0.107 0.000 0.810 260 A N 3.405 126.265 122.820 0.067 0.000 1.933 260 A HA -0.047 4.273 4.320 0.001 0.000 0.218 260 A C 1.092 178.709 177.584 0.055 0.000 1.175 260 A CA 2.112 54.183 52.037 0.057 0.000 0.628 260 A CB -1.010 18.004 19.000 0.023 0.000 0.814 260 A HN 0.607 nan 8.150 nan 0.000 0.444 261 T N -5.139 109.445 114.554 0.050 0.000 2.887 261 T HA 0.426 4.776 4.350 0.001 0.000 0.292 261 T C 0.026 174.759 174.700 0.056 0.000 1.087 261 T CA -0.249 61.879 62.100 0.046 0.000 1.009 261 T CB 1.230 70.116 68.868 0.030 0.000 1.203 261 T HN -0.012 nan 8.240 nan 0.000 0.518 262 N N 0.954 119.684 118.700 0.050 0.000 2.485 262 N HA 0.087 4.827 4.740 0.001 0.000 0.199 262 N C 0.512 176.051 175.510 0.049 0.000 1.236 262 N CA 0.046 53.130 53.050 0.055 0.000 0.852 262 N CB -0.466 38.050 38.487 0.048 0.000 1.018 262 N HN 0.745 nan 8.380 nan 0.000 0.457 263 S N -1.610 114.115 115.700 0.043 0.000 2.593 263 S HA 0.394 4.865 4.470 0.001 0.000 0.269 263 S C 1.553 176.179 174.600 0.043 0.000 1.334 263 S CA -0.256 57.966 58.200 0.036 0.000 1.015 263 S CB 1.493 64.709 63.200 0.027 0.000 0.912 263 S HN 0.210 nan 8.310 nan 0.000 0.541 264 A N 1.500 124.344 122.820 0.039 0.000 1.940 264 A HA -0.076 4.244 4.320 0.001 0.000 0.219 264 A C 1.973 179.581 177.584 0.041 0.000 1.176 264 A CA 1.770 53.834 52.037 0.043 0.000 0.631 264 A CB -1.067 17.955 19.000 0.037 0.000 0.814 264 A HN 0.914 nan 8.150 nan 0.000 0.446 265 E N 0.298 120.517 120.200 0.031 0.000 2.106 265 E HA -0.113 4.237 4.350 0.001 0.000 0.192 265 E C 1.427 178.042 176.600 0.025 0.000 0.984 265 E CA 1.276 57.691 56.400 0.024 0.000 0.806 265 E CB -0.187 29.522 29.700 0.014 0.000 0.750 265 E HN 0.542 nan 8.360 nan 0.000 0.458 266 D N 0.106 120.523 120.400 0.028 0.000 2.183 266 D HA -0.041 4.599 4.640 0.001 0.000 0.203 266 D C 1.796 178.118 176.300 0.037 0.000 0.969 266 D CA 0.642 54.659 54.000 0.027 0.000 0.842 266 D CB -0.076 40.743 40.800 0.031 0.000 0.957 266 D HN 0.077 nan 8.370 nan 0.000 0.484 267 R N 0.738 121.271 120.500 0.055 0.000 2.081 267 R HA -0.051 4.290 4.340 0.001 0.000 0.235 267 R C 2.259 178.602 176.300 0.073 0.000 1.131 267 R CA 1.258 57.403 56.100 0.075 0.000 0.960 267 R CB -0.305 30.052 30.300 0.095 0.000 0.856 267 R HN 0.095 nan 8.270 nan 0.000 0.436 268 A N 1.203 124.061 122.820 0.064 0.000 1.908 268 A HA -0.228 4.093 4.320 0.001 0.000 0.218 268 A C 2.259 179.877 177.584 0.057 0.000 1.181 268 A CA 2.099 54.176 52.037 0.066 0.000 0.627 268 A CB -0.655 18.375 19.000 0.051 0.000 0.818 268 A HN 0.475 nan 8.150 nan 0.000 0.445 269 S N -0.978 114.742 115.700 0.034 0.000 2.383 269 S HA -0.185 4.285 4.470 0.001 0.000 0.227 269 S C 1.902 176.522 174.600 0.033 0.000 1.026 269 S CA 1.464 59.677 58.200 0.021 0.000 0.981 269 S CB -1.233 61.968 63.200 0.002 0.000 0.818 269 S HN 0.582 nan 8.310 nan 0.000 0.472 270 C N 1.367 120.671 119.300 0.006 0.000 2.457 270 C HA 0.157 4.617 4.460 0.001 0.000 0.278 270 C C 2.805 177.787 174.990 -0.014 0.000 1.309 270 C CA 0.863 59.846 59.018 -0.058 0.000 1.735 270 C CB -1.253 26.393 27.740 -0.156 0.000 1.992 270 C HN 0.730 nan 8.230 nan 0.000 0.493 271 E N 1.970 122.212 120.200 0.069 0.000 2.077 271 E HA -0.143 4.208 4.350 0.001 0.000 0.193 271 E C 1.841 178.532 176.600 0.151 0.000 0.989 271 E CA 1.465 57.957 56.400 0.154 0.000 0.800 271 E CB -0.318 29.514 29.700 0.219 0.000 0.746 271 E HN 0.492 nan 8.360 nan 0.000 0.452 272 N N -0.415 118.369 118.700 0.140 0.000 2.104 272 N HA -0.210 4.530 4.740 0.001 0.000 0.190 272 N C 1.595 177.221 175.510 0.193 0.000 1.024 272 N CA 1.414 54.572 53.050 0.179 0.000 0.853 272 N CB -0.728 37.802 38.487 0.072 0.000 1.008 272 N HN 0.302 nan 8.380 nan 0.000 0.424 273 Y N 1.986 122.287 120.300 0.000 0.000 2.128 273 Y HA -0.232 4.319 4.550 0.001 0.000 0.284 273 Y C 2.324 178.193 175.900 -0.051 0.000 1.154 273 Y CA 1.732 59.816 58.100 -0.025 0.000 1.149 273 Y CB -0.201 38.194 38.460 -0.110 0.000 0.976 273 Y HN 0.055 nan 8.280 nan 0.000 0.505 274 Q N -0.079 119.663 119.800 -0.095 0.000 2.096 274 Q HA -0.226 4.115 4.340 0.001 0.000 0.204 274 Q C 2.092 177.990 176.000 -0.169 0.000 0.982 274 Q CA 1.666 57.239 55.803 -0.383 0.000 0.850 274 Q CB -0.427 27.660 28.738 -1.085 0.000 0.901 274 Q HN 0.604 nan 8.270 nan 0.000 0.422 275 Q N -0.693 119.132 119.800 0.042 0.000 2.172 275 Q HA -0.027 4.313 4.340 0.001 0.000 0.200 275 Q C 1.872 177.873 176.000 0.001 0.000 0.964 275 Q CA 0.786 56.662 55.803 0.121 0.000 0.855 275 Q CB -0.221 28.613 28.738 0.160 0.000 0.918 275 Q HN 0.351 nan 8.270 nan 0.000 0.444 276 F N 0.847 120.726 119.950 -0.118 0.000 2.661 276 F HA 0.010 4.538 4.527 0.001 0.000 0.298 276 F C 1.841 177.519 175.800 -0.203 0.000 1.137 276 F CA 0.570 58.484 58.000 -0.143 0.000 1.454 276 F CB 0.280 39.204 39.000 -0.127 0.000 1.103 276 F HN 0.131 nan 8.300 nan 0.000 0.577 277 N N -1.157 117.456 118.700 -0.145 0.000 2.742 277 N HA 0.036 4.776 4.740 0.001 0.000 0.233 277 N C 1.563 177.056 175.510 -0.029 0.000 1.033 277 N CA 0.357 53.292 53.050 -0.192 0.000 0.993 277 N CB -0.200 37.969 38.487 -0.530 0.000 1.544 277 N HN 0.156 nan 8.380 nan 0.000 0.459 278 L N 1.489 122.707 121.223 -0.008 0.000 2.145 278 L HA 0.320 4.660 4.340 0.001 0.000 0.201 278 L C 2.077 179.078 176.870 0.219 0.000 1.075 278 L CA 1.584 56.504 54.840 0.133 0.000 0.773 278 L CB -1.029 41.129 42.059 0.165 0.000 0.936 278 L HN 0.114 nan 8.230 nan 0.000 0.451 279 G N -0.168 108.776 108.800 0.240 0.000 2.448 279 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 279 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 279 G C 1.575 176.587 174.900 0.187 0.000 1.127 279 G CA 0.896 46.199 45.100 0.337 0.000 0.766 279 G HN 0.405 nan 8.290 nan 0.000 0.552 280 L N -0.522 120.704 121.223 0.005 0.000 2.051 280 L HA -0.151 4.190 4.340 0.001 0.000 0.214 280 L C 2.423 179.194 176.870 -0.164 0.000 1.076 280 L CA 1.848 56.593 54.840 -0.158 0.000 0.758 280 L CB -0.516 41.321 42.059 -0.370 0.000 0.890 280 L HN 0.367 nan 8.230 nan 0.000 0.433 281 Y N -1.659 118.702 120.300 0.102 0.000 2.441 281 Y HA 0.278 4.828 4.550 0.001 0.000 0.288 281 Y C 2.369 178.296 175.900 0.046 0.000 1.118 281 Y CA 0.600 58.728 58.100 0.046 0.000 1.215 281 Y CB -0.445 37.990 38.460 -0.042 0.000 1.118 281 Y HN 0.202 nan 8.280 nan 0.000 0.547 282 A N -0.985 121.958 122.820 0.206 0.000 2.021 282 A HA -0.120 4.201 4.320 0.001 0.000 0.216 282 A C 1.915 179.580 177.584 0.135 0.000 1.163 282 A CA 0.937 53.020 52.037 0.075 0.000 0.676 282 A CB -0.746 18.038 19.000 -0.359 0.000 0.818 282 A HN 0.493 nan 8.150 nan 0.000 0.453 283 H N 0.748 119.944 119.070 0.211 0.000 2.353 283 H HA -0.049 4.507 4.556 0.001 0.000 0.300 283 H C -0.812 174.552 175.328 0.060 0.000 1.090 283 H CA 2.056 58.242 56.048 0.230 0.000 1.327 283 H CB -0.737 29.161 29.762 0.228 0.000 1.383 283 H HN 0.277 nan 8.280 nan 0.000 0.508 284 P HA -0.084 nan 4.420 nan 0.000 0.218 284 P C 1.503 178.676 177.300 -0.211 0.000 1.149 284 P CA 1.396 64.406 63.100 -0.150 0.000 0.817 284 P CB 0.013 31.513 31.700 -0.333 0.000 0.785 285 I N -3.623 116.830 120.570 -0.194 0.000 2.810 285 I HA -0.004 4.166 4.170 0.001 0.000 0.262 285 I C 1.416 177.244 176.117 -0.481 0.000 1.131 285 I CA 0.873 61.952 61.300 -0.369 0.000 1.453 285 I CB -0.133 37.556 38.000 -0.519 0.000 1.161 285 I HN -0.217 nan 8.210 nan 0.000 0.444 286 F N 0.778 120.540 119.950 -0.313 0.000 2.695 286 F HA 0.106 4.634 4.527 0.001 0.000 0.303 286 F C 1.386 177.116 175.800 -0.116 0.000 1.091 286 F CA -0.142 57.599 58.000 -0.431 0.000 1.300 286 F CB 0.026 38.579 39.000 -0.745 0.000 1.071 286 F HN -0.030 nan 8.300 nan 0.000 0.578 287 T N -3.313 111.245 114.554 0.007 0.000 2.944 287 T HA 0.233 4.584 4.350 0.001 0.000 0.284 287 T C 1.116 175.782 174.700 -0.057 0.000 1.010 287 T CA -0.650 61.426 62.100 -0.040 0.000 1.025 287 T CB 1.689 70.356 68.868 -0.335 0.000 1.079 287 T HN -0.079 nan 8.240 nan 0.000 0.516 288 E N 0.788 120.967 120.200 -0.035 0.000 2.150 288 E HA -0.088 4.262 4.350 0.001 0.000 0.193 288 E C 1.799 178.377 176.600 -0.037 0.000 0.985 288 E CA 1.159 57.543 56.400 -0.026 0.000 0.814 288 E CB -0.055 29.640 29.700 -0.007 0.000 0.752 288 E HN 0.767 nan 8.360 nan 0.000 0.466 289 E N 0.108 120.279 120.200 -0.047 0.000 2.112 289 E HA 0.086 4.436 4.350 0.001 0.000 0.190 289 E C 1.149 177.746 176.600 -0.005 0.000 0.979 289 E CA 0.694 57.094 56.400 0.000 0.000 0.814 289 E CB -0.185 29.561 29.700 0.077 0.000 0.762 289 E HN 0.285 nan 8.360 nan 0.000 0.460 290 G N 0.845 109.602 108.800 -0.073 0.000 2.697 290 G HA2 -0.252 3.708 3.960 0.001 0.000 0.240 290 G HA3 -0.252 3.708 3.960 0.001 0.000 0.240 290 G C -0.356 174.606 174.900 0.103 0.000 1.346 290 G CA -0.322 44.740 45.100 -0.064 0.000 0.887 290 G HN 0.401 nan 8.290 nan 0.000 0.569 291 D N -3.790 116.586 120.400 -0.040 0.000 10.579 291 D HA -0.129 4.511 4.640 0.001 0.000 0.361 291 D C 0.171 176.545 176.300 0.123 0.000 3.052 291 D CA 1.246 55.251 54.000 0.008 0.000 2.480 291 D CB -0.712 40.152 40.800 0.108 0.000 1.162 291 D HN 0.905 nan 8.370 nan 0.000 0.997 292 Y N 0.117 120.531 120.300 0.190 0.000 2.426 292 Y HA 0.275 4.825 4.550 0.001 0.000 0.344 292 Y C -1.112 174.636 175.900 -0.253 0.000 1.256 292 Y CA -1.081 57.022 58.100 0.006 0.000 1.451 292 Y CB -0.375 38.044 38.460 -0.068 0.000 1.342 292 Y HN 0.160 nan 8.280 nan 0.000 0.600 293 P HA -0.012 nan 4.420 nan 0.000 0.266 293 P C -0.130 177.024 177.300 -0.244 0.000 1.195 293 P CA 0.579 63.398 63.100 -0.468 0.000 0.768 293 P CB 0.726 32.288 31.700 -0.231 0.000 0.838 294 A N 3.305 126.006 122.820 -0.198 0.000 1.940 294 A HA -0.180 4.141 4.320 0.001 0.000 0.219 294 A C 2.149 179.695 177.584 -0.063 0.000 1.176 294 A CA 2.026 54.011 52.037 -0.087 0.000 0.631 294 A CB -1.572 17.404 19.000 -0.039 0.000 0.814 294 A HN 0.467 nan 8.150 nan 0.000 0.446 295 V N -0.458 119.432 119.914 -0.040 0.000 2.490 295 V HA -0.173 3.948 4.120 0.001 0.000 0.250 295 V C 2.262 178.365 176.094 0.014 0.000 1.061 295 V CA 1.988 64.311 62.300 0.039 0.000 1.064 295 V CB -0.289 31.610 31.823 0.127 0.000 0.670 295 V HN 0.607 nan 8.190 nan 0.000 0.461 296 L N -0.443 120.632 121.223 -0.246 0.000 2.005 296 L HA -0.152 4.189 4.340 0.001 0.000 0.207 296 L C 2.722 179.385 176.870 -0.345 0.000 1.072 296 L CA 1.950 56.422 54.840 -0.612 0.000 0.744 296 L CB -0.360 41.173 42.059 -0.877 0.000 0.895 296 L HN 0.278 nan 8.230 nan 0.000 0.433 297 K N -0.325 119.928 120.400 -0.244 0.000 2.032 297 K HA -0.201 4.120 4.320 0.001 0.000 0.209 297 K C 1.662 178.195 176.600 -0.112 0.000 1.048 297 K CA 1.786 57.968 56.287 -0.175 0.000 0.927 297 K CB -0.250 32.201 32.500 -0.081 0.000 0.712 297 K HN 0.358 nan 8.250 nan 0.000 0.441 298 D N 0.316 120.680 120.400 -0.059 0.000 2.123 298 D HA -0.080 4.560 4.640 0.001 0.000 0.200 298 D C 2.018 178.316 176.300 -0.004 0.000 0.976 298 D CA 1.035 55.021 54.000 -0.024 0.000 0.831 298 D CB -0.102 40.697 40.800 -0.002 0.000 0.974 298 D HN 0.142 nan 8.370 nan 0.000 0.469 299 R N 0.394 120.922 120.500 0.045 0.000 2.092 299 R HA -0.031 4.310 4.340 0.001 0.000 0.231 299 R C 2.345 178.669 176.300 0.040 0.000 1.119 299 R CA 0.578 56.723 56.100 0.075 0.000 0.970 299 R CB -0.249 30.160 30.300 0.183 0.000 0.864 299 R HN 0.092 nan 8.270 nan 0.000 0.440 300 V N 0.216 120.132 119.914 0.005 0.000 2.358 300 V HA -0.228 3.892 4.120 0.001 0.000 0.246 300 V C 2.412 178.443 176.094 -0.104 0.000 1.047 300 V CA 1.966 64.218 62.300 -0.081 0.000 1.035 300 V CB -0.410 31.254 31.823 -0.264 0.000 0.658 300 V HN 0.349 nan 8.190 nan 0.000 0.452 301 S N -0.046 115.593 115.700 -0.102 0.000 2.359 301 S HA -0.288 4.182 4.470 0.001 0.000 0.224 301 S C 2.255 176.832 174.600 -0.039 0.000 1.035 301 S CA 2.127 60.280 58.200 -0.079 0.000 1.018 301 S CB -0.337 62.823 63.200 -0.066 0.000 0.876 301 S HN 0.550 nan 8.310 nan 0.000 0.448 302 R N 0.573 121.060 120.500 -0.022 0.000 2.073 302 R HA -0.075 4.265 4.340 0.001 0.000 0.234 302 R C 1.983 178.285 176.300 0.004 0.000 1.134 302 R CA 1.852 57.949 56.100 -0.006 0.000 0.952 302 R CB -0.469 29.829 30.300 -0.003 0.000 0.850 302 R HN 0.411 nan 8.270 nan 0.000 0.433 303 N N 0.199 118.899 118.700 0.001 0.000 2.166 303 N HA -0.098 4.643 4.740 0.001 0.000 0.186 303 N C 1.773 177.313 175.510 0.050 0.000 1.019 303 N CA 1.640 54.701 53.050 0.017 0.000 0.856 303 N CB -0.319 38.174 38.487 0.010 0.000 0.993 303 N HN 0.139 nan 8.380 nan 0.000 0.426 304 S N 0.718 116.426 115.700 0.014 0.000 2.368 304 S HA -0.042 4.429 4.470 0.001 0.000 0.225 304 S C 2.083 176.789 174.600 0.177 0.000 1.030 304 S CA 1.064 59.298 58.200 0.057 0.000 0.999 304 S CB -0.312 62.809 63.200 -0.131 0.000 0.844 304 S HN 0.503 nan 8.310 nan 0.000 0.459 305 A N 2.107 124.974 122.820 0.079 0.000 1.902 305 A HA -0.158 4.162 4.320 0.001 0.000 0.217 305 A C 1.788 179.411 177.584 0.064 0.000 1.181 305 A CA 1.709 53.786 52.037 0.068 0.000 0.623 305 A CB -0.699 18.319 19.000 0.029 0.000 0.818 305 A HN 0.338 nan 8.150 nan 0.000 0.443 306 D N -0.155 120.277 120.400 0.054 0.000 2.178 306 D HA -0.090 4.551 4.640 0.001 0.000 0.201 306 D C 1.532 177.858 176.300 0.042 0.000 0.980 306 D CA 0.936 54.958 54.000 0.037 0.000 0.842 306 D CB -0.168 40.647 40.800 0.025 0.000 0.948 306 D HN 0.406 nan 8.370 nan 0.000 0.472 307 E N -0.525 119.728 120.200 0.090 0.000 2.489 307 E HA 0.118 4.469 4.350 0.001 0.000 0.193 307 E C 1.376 177.950 176.600 -0.044 0.000 1.057 307 E CA 0.479 56.919 56.400 0.066 0.000 0.866 307 E CB 0.527 30.341 29.700 0.189 0.000 0.916 307 E HN 0.334 nan 8.360 nan 0.000 0.500 308 G N 0.815 109.614 108.800 -0.001 0.000 2.176 308 G HA2 -0.277 3.683 3.960 0.001 0.000 0.232 308 G HA3 -0.277 3.683 3.960 0.001 0.000 0.232 308 G C -0.077 174.775 174.900 -0.081 0.000 0.986 308 G CA -0.126 44.935 45.100 -0.065 0.000 0.643 308 G HN 0.220 nan 8.290 nan 0.000 0.522 309 Y N 1.102 121.394 120.300 -0.015 0.000 2.511 309 Y HA 0.349 4.899 4.550 0.001 0.000 0.332 309 Y C 2.242 178.129 175.900 -0.021 0.000 1.177 309 Y CA 1.078 59.168 58.100 -0.018 0.000 1.422 309 Y CB 0.741 39.189 38.460 -0.021 0.000 1.271 309 Y HN 0.062 nan 8.280 nan 0.000 0.550 310 T N 0.965 115.594 114.554 0.125 0.000 2.788 310 T HA -0.104 4.246 4.350 0.001 0.000 0.268 310 T C -0.001 174.735 174.700 0.060 0.000 1.044 310 T CA 1.263 63.404 62.100 0.067 0.000 1.139 310 T CB -0.136 68.755 68.868 0.040 0.000 0.867 310 T HN 0.539 nan 8.240 nan 0.000 0.454 311 D N 0.780 121.225 120.400 0.075 0.000 2.350 311 D HA 0.331 4.971 4.640 0.001 0.000 0.245 311 D C -0.443 175.827 176.300 -0.051 0.000 1.036 311 D CA -0.205 53.797 54.000 0.004 0.000 0.848 311 D CB 1.764 42.554 40.800 -0.015 0.000 1.307 311 D HN 0.029 nan 8.370 nan 0.000 0.469 312 S N 0.602 116.242 115.700 -0.101 0.000 2.558 312 S HA -0.023 4.448 4.470 0.001 0.000 0.288 312 S C 1.310 175.752 174.600 -0.264 0.000 1.318 312 S CA -0.063 58.029 58.200 -0.180 0.000 1.056 312 S CB 0.467 63.560 63.200 -0.177 0.000 0.853 312 S HN 0.315 nan 8.310 nan 0.000 0.505 313 R N 1.570 121.852 120.500 -0.364 0.000 2.285 313 R HA 0.043 4.383 4.340 0.001 0.000 0.213 313 R C 0.193 176.283 176.300 -0.350 0.000 1.068 313 R CA 0.311 56.200 56.100 -0.351 0.000 1.004 313 R CB -0.202 29.891 30.300 -0.346 0.000 0.873 313 R HN 0.470 nan 8.270 nan 0.000 0.467 314 L N 2.034 122.977 121.223 -0.467 0.000 2.265 314 L HA 0.303 4.643 4.340 0.001 0.000 0.288 314 L C -2.341 174.254 176.870 -0.459 0.000 1.058 314 L CA -2.286 52.173 54.840 -0.634 0.000 0.809 314 L CB 0.911 42.527 42.059 -0.737 0.000 1.179 314 L HN -0.198 nan 8.230 nan 0.000 0.429 315 P HA 0.152 nan 4.420 nan 0.000 0.270 315 P C -1.381 175.583 177.300 -0.559 0.000 1.223 315 P CA -0.235 62.490 63.100 -0.625 0.000 0.785 315 P CB 0.431 31.469 31.700 -1.104 0.000 0.923 316 Q N 0.503 120.053 119.800 -0.417 0.000 2.306 316 Q HA 0.483 4.823 4.340 0.001 0.000 0.265 316 Q C -0.951 175.012 176.000 -0.061 0.000 1.022 316 Q CA -0.602 55.098 55.803 -0.171 0.000 0.853 316 Q CB 1.215 29.913 28.738 -0.065 0.000 1.327 316 Q HN 0.317 nan 8.270 nan 0.000 0.449 317 F N 0.815 120.875 119.950 0.184 0.000 2.404 317 F HA 0.225 4.753 4.527 0.001 0.000 0.339 317 F C 1.146 176.983 175.800 0.062 0.000 1.105 317 F CA -0.633 57.432 58.000 0.109 0.000 1.087 317 F CB 1.213 40.175 39.000 -0.063 0.000 1.143 317 F HN 0.431 nan 8.300 nan 0.000 0.491 318 T N -0.676 114.033 114.554 0.259 0.000 2.766 318 T HA 0.423 4.773 4.350 0.001 0.000 0.295 318 T C 1.246 176.016 174.700 0.118 0.000 1.024 318 T CA -0.255 61.931 62.100 0.144 0.000 1.018 318 T CB 1.140 70.070 68.868 0.103 0.000 1.002 318 T HN 0.684 nan 8.240 nan 0.000 0.532 319 A N 0.015 122.879 122.820 0.074 0.000 1.908 319 A HA -0.102 4.218 4.320 0.001 0.000 0.218 319 A C 2.308 179.915 177.584 0.040 0.000 1.181 319 A CA 1.959 54.026 52.037 0.050 0.000 0.627 319 A CB -1.169 17.854 19.000 0.038 0.000 0.818 319 A HN 1.046 nan 8.150 nan 0.000 0.445 320 E N -0.207 120.017 120.200 0.041 0.000 2.110 320 E HA -0.219 4.131 4.350 0.001 0.000 0.193 320 E C 1.870 178.496 176.600 0.044 0.000 0.988 320 E CA 1.337 57.758 56.400 0.034 0.000 0.804 320 E CB -0.125 29.584 29.700 0.015 0.000 0.745 320 E HN 0.757 nan 8.360 nan 0.000 0.458 321 E N -0.168 120.066 120.200 0.056 0.000 2.072 321 E HA -0.151 4.199 4.350 0.001 0.000 0.191 321 E C 2.181 178.730 176.600 -0.085 0.000 0.985 321 E CA 1.152 57.583 56.400 0.051 0.000 0.801 321 E CB 0.127 29.944 29.700 0.196 0.000 0.750 321 E HN 0.127 nan 8.360 nan 0.000 0.452 322 V N 1.453 121.306 119.914 -0.101 0.000 2.332 322 V HA -0.278 3.842 4.120 0.001 0.000 0.248 322 V C 2.393 178.416 176.094 -0.117 0.000 1.055 322 V CA 2.159 64.343 62.300 -0.192 0.000 1.038 322 V CB -0.411 31.366 31.823 -0.078 0.000 0.651 322 V HN 0.246 nan 8.190 nan 0.000 0.450 323 E N -0.369 119.815 120.200 -0.027 0.000 2.106 323 E HA -0.250 4.100 4.350 0.001 0.000 0.192 323 E C 2.041 178.667 176.600 0.045 0.000 0.984 323 E CA 1.575 57.977 56.400 0.003 0.000 0.806 323 E CB -0.551 29.166 29.700 0.029 0.000 0.750 323 E HN 0.670 nan 8.360 nan 0.000 0.458 324 Y N 0.218 120.481 120.300 -0.061 0.000 2.181 324 Y HA -0.070 4.480 4.550 0.001 0.000 0.288 324 Y C 1.890 177.818 175.900 0.047 0.000 1.146 324 Y CA 1.923 60.009 58.100 -0.023 0.000 1.164 324 Y CB -0.040 38.358 38.460 -0.103 0.000 0.982 324 Y HN 0.076 nan 8.280 nan 0.000 0.515 325 I N 0.577 121.136 120.570 -0.017 0.000 2.333 325 I HA -0.159 4.012 4.170 0.001 0.000 0.246 325 I C 1.045 177.030 176.117 -0.220 0.000 1.106 325 I CA 0.498 61.700 61.300 -0.164 0.000 1.411 325 I CB -0.347 37.417 38.000 -0.394 0.000 1.082 325 I HN 0.033 nan 8.210 nan 0.000 0.420 326 R N 1.658 122.036 120.500 -0.204 0.000 2.537 326 R HA 0.253 4.593 4.340 0.001 0.000 0.280 326 R C 0.798 176.965 176.300 -0.221 0.000 1.058 326 R CA 0.668 56.650 56.100 -0.198 0.000 1.057 326 R CB 0.196 30.408 30.300 -0.146 0.000 0.973 326 R HN 0.338 nan 8.270 nan 0.000 0.438 327 G N 1.848 110.501 108.800 -0.246 0.000 2.175 327 G HA2 -0.314 3.647 3.960 0.001 0.000 0.244 327 G HA3 -0.314 3.647 3.960 0.001 0.000 0.244 327 G C 0.296 174.730 174.900 -0.777 0.000 0.982 327 G CA 0.320 45.173 45.100 -0.411 0.000 0.641 327 G HN 0.900 nan 8.290 nan 0.000 0.527 328 T N -0.507 113.606 114.554 -0.734 0.000 4.309 328 T HA 0.550 4.900 4.350 0.001 0.000 0.242 328 T C 0.059 173.979 174.700 -1.299 0.000 1.142 328 T CA 0.414 61.724 62.100 -1.316 0.000 1.042 328 T CB -0.643 67.812 68.868 -0.688 0.000 1.366 328 T HN 1.456 nan 8.240 nan 0.000 0.942 329 H N -2.475 115.820 119.070 -1.293 0.000 3.079 329 H HA 0.555 5.111 4.556 0.001 0.000 0.356 329 H C -0.876 174.390 175.328 -0.105 0.000 1.221 329 H CA -1.096 54.608 56.048 -0.573 0.000 1.185 329 H CB 0.781 30.103 29.762 -0.734 0.000 1.882 329 H HN -0.015 nan 8.280 nan 0.000 0.543 330 D N 1.219 121.765 120.400 0.243 0.000 2.449 330 D HA 0.138 4.778 4.640 0.001 0.000 0.210 330 D C -0.182 176.442 176.300 0.540 0.000 1.094 330 D CA 0.756 54.972 54.000 0.360 0.000 0.846 330 D CB 0.958 42.010 40.800 0.420 0.000 1.003 330 D HN 0.429 nan 8.370 nan 0.000 0.504 331 F N -1.045 119.135 119.950 0.383 0.000 2.842 331 F HA 0.445 4.973 4.527 0.001 0.000 0.319 331 F C -2.217 173.823 175.800 0.400 0.000 1.159 331 F CA -1.620 56.590 58.000 0.350 0.000 0.902 331 F CB 0.939 40.090 39.000 0.251 0.000 1.311 331 F HN -0.299 nan 8.300 nan 0.000 0.453 332 L N 2.503 123.907 121.223 0.301 0.000 2.287 332 L HA 0.867 5.207 4.340 0.001 0.000 0.287 332 L C -0.080 176.914 176.870 0.207 0.000 1.022 332 L CA -0.370 54.443 54.840 -0.046 0.000 0.814 332 L CB 1.151 42.889 42.059 -0.535 0.000 1.217 332 L HN 0.959 nan 8.230 nan 0.000 0.420 333 G N 6.235 115.125 108.800 0.148 0.000 2.353 333 G HA2 0.547 4.507 3.960 0.001 0.000 0.284 333 G HA3 0.547 4.507 3.960 0.001 0.000 0.284 333 G C -0.704 174.297 174.900 0.168 0.000 1.172 333 G CA -0.413 44.849 45.100 0.269 0.000 0.854 333 G HN 0.486 nan 8.290 nan 0.000 0.485 334 I N 2.135 122.847 120.570 0.237 0.000 2.465 334 I HA 0.285 4.455 4.170 0.001 0.000 0.291 334 I C -0.931 175.323 176.117 0.227 0.000 1.014 334 I CA -1.242 60.193 61.300 0.224 0.000 1.093 334 I CB 1.956 40.128 38.000 0.287 0.000 1.267 334 I HN 0.304 nan 8.210 nan 0.000 0.431 335 N N 6.198 125.008 118.700 0.182 0.000 2.444 335 N HA 0.391 5.132 4.740 0.001 0.000 0.262 335 N C -1.094 174.510 175.510 0.157 0.000 0.974 335 N CA -0.188 52.940 53.050 0.130 0.000 0.933 335 N CB 1.415 39.984 38.487 0.137 0.000 1.137 335 N HN 0.394 nan 8.380 nan 0.000 0.498 336 F N 2.256 122.119 119.950 -0.145 0.000 2.507 336 F HA 0.397 4.924 4.527 0.001 0.000 0.325 336 F C -0.405 175.154 175.800 -0.401 0.000 1.116 336 F CA -0.487 57.425 58.000 -0.147 0.000 0.930 336 F CB 1.038 39.917 39.000 -0.202 0.000 1.146 336 F HN 0.467 nan 8.300 nan 0.000 0.447 337 Y N 1.902 121.722 120.300 -0.800 0.000 2.640 337 Y HA 0.297 4.847 4.550 0.001 0.000 0.274 337 Y C 0.836 176.490 175.900 -0.410 0.000 1.164 337 Y CA 0.355 58.261 58.100 -0.323 0.000 1.189 337 Y CB 0.920 39.458 38.460 0.130 0.000 1.333 337 Y HN 0.608 nan 8.280 nan 0.000 0.494 338 T N -0.770 113.434 114.554 -0.583 0.000 2.661 338 T HA 0.789 5.139 4.350 0.001 0.000 0.305 338 T C -1.914 172.679 174.700 -0.178 0.000 1.441 338 T CA -0.054 61.924 62.100 -0.203 0.000 0.999 338 T CB 1.028 69.921 68.868 0.043 0.000 1.650 338 T HN 0.113 nan 8.240 nan 0.000 0.489 339 A N 0.778 123.518 122.820 -0.132 0.000 2.479 339 A HA 0.936 5.256 4.320 0.001 0.000 0.296 339 A C -1.705 175.907 177.584 0.046 0.000 1.121 339 A CA -0.633 51.362 52.037 -0.069 0.000 0.743 339 A CB 1.231 20.077 19.000 -0.257 0.000 1.323 339 A HN 0.750 nan 8.150 nan 0.000 0.415 340 L N 0.144 121.411 121.223 0.075 0.000 2.309 340 L HA 0.578 4.918 4.340 0.001 0.000 0.261 340 L C -0.945 176.042 176.870 0.196 0.000 1.021 340 L CA -0.716 54.217 54.840 0.154 0.000 0.823 340 L CB 1.951 43.924 42.059 -0.144 0.000 1.366 340 L HN 0.604 nan 8.230 nan 0.000 0.423 341 L N 0.662 121.988 121.223 0.173 0.000 2.307 341 L HA 0.680 5.020 4.340 0.001 0.000 0.282 341 L C 0.251 177.102 176.870 -0.031 0.000 1.051 341 L CA -0.416 54.480 54.840 0.094 0.000 0.804 341 L CB 1.504 43.594 42.059 0.050 0.000 1.197 341 L HN 0.650 nan 8.230 nan 0.000 0.431 342 G N 2.274 111.042 108.800 -0.053 0.000 2.513 342 G HA2 0.643 4.603 3.960 0.001 0.000 0.317 342 G HA3 0.643 4.603 3.960 0.001 0.000 0.317 342 G C -1.296 173.593 174.900 -0.019 0.000 1.277 342 G CA -0.486 44.576 45.100 -0.064 0.000 0.955 342 G HN 0.632 nan 8.290 nan 0.000 0.484 343 K N 0.022 120.417 120.400 -0.008 0.000 2.443 343 K HA 0.736 5.056 4.320 0.001 0.000 0.251 343 K C -0.270 176.323 176.600 -0.010 0.000 0.972 343 K CA -0.753 55.532 56.287 -0.003 0.000 0.833 343 K CB 1.941 34.440 32.500 -0.002 0.000 1.317 343 K HN 0.367 nan 8.250 nan 0.000 0.441 344 S N 0.126 115.821 115.700 -0.009 0.000 2.552 344 S HA 0.488 4.959 4.470 0.001 0.000 0.289 344 S C 0.154 174.733 174.600 -0.034 0.000 1.304 344 S CA 1.194 59.383 58.200 -0.018 0.000 1.063 344 S CB -0.609 62.585 63.200 -0.009 0.000 0.848 344 S HN 1.022 nan 8.310 nan 0.000 0.499 345 G N 2.207 110.974 108.800 -0.054 0.000 2.369 345 G HA2 0.291 4.251 3.960 0.001 0.000 0.295 345 G HA3 0.291 4.251 3.960 0.001 0.000 0.295 345 G C -1.803 173.023 174.900 -0.123 0.000 1.298 345 G CA -0.330 44.724 45.100 -0.076 0.000 0.940 345 G HN 1.063 nan 8.290 nan 0.000 0.536 346 V N 1.230 121.054 119.914 -0.150 0.000 2.686 346 V HA 0.775 4.896 4.120 0.001 0.000 0.306 346 V C -0.064 175.874 176.094 -0.261 0.000 1.065 346 V CA 0.038 62.203 62.300 -0.224 0.000 0.894 346 V CB 1.480 33.196 31.823 -0.178 0.000 1.004 346 V HN 1.265 nan 8.190 nan 0.000 0.424 347 E N 3.419 123.362 120.200 -0.429 0.000 2.460 347 E HA 0.871 5.221 4.350 0.001 0.000 0.277 347 E C -0.204 176.055 176.600 -0.569 0.000 1.010 347 E CA -0.421 55.740 56.400 -0.398 0.000 0.838 347 E CB 2.423 31.974 29.700 -0.248 0.000 1.448 347 E HN 1.391 nan 8.360 nan 0.000 0.462 348 G N -0.591 107.978 108.800 -0.384 0.000 2.541 348 G HA2 -0.099 3.861 3.960 0.001 0.000 0.686 348 G HA3 -0.099 3.861 3.960 0.001 0.000 0.686 348 G C -1.434 173.264 174.900 -0.337 0.000 1.286 348 G CA -0.646 44.266 45.100 -0.314 0.000 0.894 348 G HN 0.424 nan 8.290 nan 0.000 0.575 349 Y N 0.178 120.477 120.300 -0.001 0.000 2.301 349 Y HA 0.511 5.061 4.550 0.001 0.000 0.328 349 Y C 0.865 176.756 175.900 -0.015 0.000 1.242 349 Y CA 0.289 58.383 58.100 -0.009 0.000 1.323 349 Y CB 1.297 39.758 38.460 0.000 0.000 1.266 349 Y HN 0.688 nan 8.280 nan 0.000 0.527 350 E N 4.682 124.981 120.200 0.166 0.000 2.146 350 E HA 0.344 4.694 4.350 0.001 0.000 0.282 350 E C -2.699 173.974 176.600 0.121 0.000 0.989 350 E CA -2.267 54.197 56.400 0.106 0.000 0.799 350 E CB 0.558 30.304 29.700 0.076 0.000 1.088 350 E HN 0.293 nan 8.360 nan 0.000 0.397 351 P HA 0.477 nan 4.420 nan 0.000 0.287 351 P C -1.382 175.960 177.300 0.070 0.000 1.270 351 P CA -0.686 62.470 63.100 0.093 0.000 0.844 351 P CB 1.528 33.286 31.700 0.096 0.000 1.068 352 S N -0.040 115.692 115.700 0.052 0.000 2.567 352 S HA 0.345 4.815 4.470 0.001 0.000 0.270 352 S C 0.716 175.322 174.600 0.011 0.000 1.152 352 S CA -0.950 57.262 58.200 0.020 0.000 0.835 352 S CB 2.036 65.285 63.200 0.080 0.000 1.115 352 S HN 0.489 nan 8.310 nan 0.000 0.459 353 R N -0.339 120.121 120.500 -0.067 0.000 2.096 353 R HA -0.109 4.231 4.340 0.001 0.000 0.235 353 R C 1.835 178.180 176.300 0.074 0.000 1.127 353 R CA 1.661 57.770 56.100 0.014 0.000 0.968 353 R CB -0.580 29.644 30.300 -0.126 0.000 0.861 353 R HN 0.767 nan 8.270 nan 0.000 0.440 354 Y N 1.395 121.648 120.300 -0.079 0.000 2.145 354 Y HA -0.219 4.331 4.550 0.001 0.000 0.286 354 Y C 2.361 178.177 175.900 -0.139 0.000 1.145 354 Y CA 1.879 59.920 58.100 -0.098 0.000 1.148 354 Y CB -0.468 37.955 38.460 -0.061 0.000 0.981 354 Y HN -0.022 nan 8.280 nan 0.000 0.507 355 R N 0.109 120.475 120.500 -0.224 0.000 2.081 355 R HA -0.158 4.182 4.340 0.001 0.000 0.235 355 R C 1.775 177.913 176.300 -0.270 0.000 1.131 355 R CA 1.917 57.825 56.100 -0.319 0.000 0.960 355 R CB -0.342 29.857 30.300 -0.169 0.000 0.856 355 R HN 0.300 nan 8.270 nan 0.000 0.436 356 D N -0.112 120.187 120.400 -0.168 0.000 2.218 356 D HA -0.131 4.510 4.640 0.001 0.000 0.204 356 D C 1.854 177.774 176.300 -0.633 0.000 0.976 356 D CA 1.656 55.556 54.000 -0.166 0.000 0.853 356 D CB -0.107 40.791 40.800 0.165 0.000 0.939 356 D HN 0.359 nan 8.370 nan 0.000 0.481 357 S N -0.368 114.765 115.700 -0.945 0.000 2.481 357 S HA 0.078 4.548 4.470 0.001 0.000 0.231 357 S C 1.686 175.856 174.600 -0.717 0.000 0.996 357 S CA 0.843 58.108 58.200 -1.557 0.000 0.942 357 S CB -0.231 62.443 63.200 -0.877 0.000 0.768 357 S HN 0.300 nan 8.310 nan 0.000 0.520 358 G N 0.300 108.834 108.800 -0.444 0.000 2.298 358 G HA2 -0.127 3.833 3.960 0.001 0.000 0.287 358 G HA3 -0.127 3.833 3.960 0.001 0.000 0.287 358 G C -0.262 174.537 174.900 -0.167 0.000 1.075 358 G CA 0.274 45.217 45.100 -0.262 0.000 0.960 358 G HN 1.391 nan 8.290 nan 0.000 0.502 359 V N 0.307 120.131 119.914 -0.150 0.000 2.932 359 V HA 0.734 4.854 4.120 0.001 0.000 0.307 359 V C -0.408 175.685 176.094 -0.001 0.000 1.147 359 V CA -1.273 61.008 62.300 -0.031 0.000 0.951 359 V CB 1.940 33.804 31.823 0.067 0.000 1.031 359 V HN 0.395 nan 8.190 nan 0.000 0.426 360 I N 6.803 127.383 120.570 0.017 0.000 2.312 360 I HA 0.431 4.601 4.170 0.001 0.000 0.290 360 I C -0.567 175.608 176.117 0.098 0.000 1.008 360 I CA -0.368 60.971 61.300 0.066 0.000 1.226 360 I CB 1.386 39.387 38.000 0.002 0.000 1.371 360 I HN 0.387 nan 8.210 nan 0.000 0.468 361 L N 6.806 128.135 121.223 0.176 0.000 2.309 361 L HA 0.635 4.975 4.340 0.001 0.000 0.282 361 L C 0.273 177.154 176.870 0.018 0.000 1.036 361 L CA -0.287 54.580 54.840 0.045 0.000 0.806 361 L CB 1.794 43.841 42.059 -0.021 0.000 1.220 361 L HN 0.650 nan 8.230 nan 0.000 0.429 362 T N -0.587 113.963 114.554 -0.006 0.000 2.778 362 T HA 0.548 4.898 4.350 0.001 0.000 0.293 362 T C -0.803 173.895 174.700 -0.004 0.000 1.144 362 T CA -0.985 61.107 62.100 -0.013 0.000 1.010 362 T CB 2.021 70.868 68.868 -0.035 0.000 1.325 362 T HN 0.504 nan 8.240 nan 0.000 0.515 363 Q N 0.199 119.976 119.800 -0.039 0.000 2.377 363 Q HA 0.423 4.764 4.340 0.001 0.000 0.271 363 Q C -1.429 174.330 176.000 -0.401 0.000 1.077 363 Q CA -0.952 54.801 55.803 -0.083 0.000 0.820 363 Q CB 2.269 31.101 28.738 0.156 0.000 1.347 363 Q HN 0.703 nan 8.270 nan 0.000 0.444 364 D N 0.616 120.363 120.400 -1.088 0.000 2.312 364 D HA 0.173 4.813 4.640 0.001 0.000 0.252 364 D C 0.390 176.360 176.300 -0.550 0.000 1.150 364 D CA 0.087 53.498 54.000 -0.982 0.000 0.870 364 D CB 1.726 41.500 40.800 -1.711 0.000 1.153 364 D HN 0.703 nan 8.370 nan 0.000 0.457 365 A N 3.832 126.488 122.820 -0.273 0.000 2.076 365 A HA -0.089 4.231 4.320 0.001 0.000 0.220 365 A C 1.964 179.518 177.584 -0.049 0.000 1.160 365 A CA 1.808 53.779 52.037 -0.109 0.000 0.653 365 A CB -0.327 18.632 19.000 -0.068 0.000 0.801 365 A HN 0.634 nan 8.150 nan 0.000 0.455 366 A N -1.516 121.246 122.820 -0.097 0.000 2.119 366 A HA 0.105 4.425 4.320 0.001 0.000 0.216 366 A C 0.548 178.265 177.584 0.221 0.000 1.152 366 A CA -0.039 52.024 52.037 0.044 0.000 0.708 366 A CB -0.346 18.682 19.000 0.046 0.000 0.805 366 A HN 0.579 nan 8.150 nan 0.000 0.460 367 W N 0.705 122.071 121.300 0.110 0.000 2.210 367 W HA 0.376 5.037 4.660 0.001 0.000 0.330 367 W C -2.534 174.047 176.519 0.103 0.000 1.334 367 W CA -2.743 54.674 57.345 0.121 0.000 1.227 367 W CB -0.719 28.811 29.460 0.115 0.000 1.178 367 W HN 0.055 nan 8.180 nan 0.000 0.560 368 P HA 0.037 nan 4.420 nan 0.000 0.267 368 P C 0.155 177.596 177.300 0.236 0.000 1.200 368 P CA 0.093 63.328 63.100 0.225 0.000 0.772 368 P CB 0.528 32.333 31.700 0.175 0.000 0.855 369 I N -1.070 119.611 120.570 0.184 0.000 3.062 369 I HA 0.708 4.879 4.170 0.001 0.000 0.318 369 I C 0.259 176.443 176.117 0.113 0.000 1.026 369 I CA -0.690 60.684 61.300 0.123 0.000 1.096 369 I CB 1.842 39.884 38.000 0.070 0.000 1.348 369 I HN 0.373 nan 8.210 nan 0.000 0.543 370 S N 1.644 117.270 115.700 -0.123 0.000 2.921 370 S HA 0.733 5.203 4.470 0.001 0.000 0.315 370 S C 0.495 174.783 174.600 -0.520 0.000 1.087 370 S CA -0.243 57.658 58.200 -0.499 0.000 0.877 370 S CB 0.982 63.647 63.200 -0.892 0.000 1.340 370 S HN 0.946 nan 8.310 nan 0.000 0.622 371 A N 0.277 122.605 122.820 -0.820 0.000 2.278 371 A HA 0.552 4.873 4.320 0.001 0.000 0.212 371 A C 0.418 177.640 177.584 -0.604 0.000 1.213 371 A CA -0.231 51.256 52.037 -0.916 0.000 0.840 371 A CB -0.719 17.348 19.000 -1.556 0.000 0.866 371 A HN 0.571 nan 8.150 nan 0.000 0.489 372 S N -0.162 115.194 115.700 -0.573 0.000 2.519 372 S HA 0.307 4.777 4.470 0.001 0.000 0.309 372 S C 1.260 175.603 174.600 -0.429 0.000 1.100 372 S CA -0.017 57.893 58.200 -0.483 0.000 1.059 372 S CB 1.762 64.487 63.200 -0.790 0.000 1.008 372 S HN 0.590 nan 8.310 nan 0.000 0.478 373 S N 2.756 118.369 115.700 -0.144 0.000 2.402 373 S HA -0.139 4.332 4.470 0.001 0.000 0.233 373 S C 1.613 176.213 174.600 0.001 0.000 1.030 373 S CA 1.006 59.191 58.200 -0.026 0.000 1.003 373 S CB -0.547 62.701 63.200 0.080 0.000 0.813 373 S HN 0.966 nan 8.310 nan 0.000 0.477 374 W N 0.881 122.176 121.300 -0.007 0.000 2.905 374 W HA 0.462 5.122 4.660 0.001 0.000 0.251 374 W C 0.464 176.991 176.519 0.013 0.000 1.305 374 W CA -0.602 56.740 57.345 -0.005 0.000 1.465 374 W CB -0.411 29.028 29.460 -0.034 0.000 1.122 374 W HN 0.227 nan 8.180 nan 0.000 0.659 375 L N 3.485 124.317 121.223 -0.651 0.000 2.295 375 L HA 0.405 4.745 4.340 0.001 0.000 0.281 375 L C -0.517 176.212 176.870 -0.236 0.000 1.018 375 L CA -0.330 54.107 54.840 -0.672 0.000 0.841 375 L CB 0.724 41.950 42.059 -1.389 0.000 1.218 375 L HN -0.349 nan 8.230 nan 0.000 0.424 376 K N 3.725 124.122 120.400 -0.005 0.000 2.156 376 K HA 0.464 4.784 4.320 0.001 0.000 0.250 376 K C -0.834 175.836 176.600 0.118 0.000 0.955 376 K CA -0.740 55.623 56.287 0.126 0.000 0.855 376 K CB 2.467 35.158 32.500 0.318 0.000 1.101 376 K HN 0.282 nan 8.250 nan 0.000 0.434 377 V N 2.246 122.270 119.914 0.184 0.000 2.389 377 V HA 0.171 4.291 4.120 0.001 0.000 0.264 377 V C -0.088 175.931 176.094 -0.124 0.000 1.049 377 V CA -0.584 61.829 62.300 0.189 0.000 0.932 377 V CB 0.764 32.766 31.823 0.297 0.000 1.011 377 V HN 0.405 nan 8.190 nan 0.000 0.475 378 V N 7.412 127.145 119.914 -0.302 0.000 2.462 378 V HA 0.218 4.339 4.120 0.001 0.000 0.257 378 V C -1.843 173.818 176.094 -0.723 0.000 0.944 378 V CA -0.832 60.997 62.300 -0.785 0.000 0.903 378 V CB 1.117 32.159 31.823 -1.302 0.000 1.128 378 V HN 0.643 nan 8.190 nan 0.000 0.486 379 P HA -0.114 nan 4.420 nan 0.000 0.217 379 P C 1.756 178.787 177.300 -0.448 0.000 1.150 379 P CA 1.322 63.941 63.100 -0.803 0.000 0.832 379 P CB 0.067 31.308 31.700 -0.763 0.000 0.787 380 W N -0.526 120.636 121.300 -0.230 0.000 2.421 380 W HA 0.043 4.703 4.660 0.001 0.000 0.270 380 W C 1.530 177.896 176.519 -0.255 0.000 1.233 380 W CA 0.738 57.958 57.345 -0.210 0.000 1.226 380 W CB -2.213 27.157 29.460 -0.150 0.000 1.121 380 W HN -0.091 nan 8.180 nan 0.000 0.579 381 G N 0.892 109.318 108.800 -0.623 0.000 2.448 381 G HA2 -0.307 3.654 3.960 0.001 0.000 0.219 381 G HA3 -0.307 3.654 3.960 0.001 0.000 0.219 381 G C 1.308 176.021 174.900 -0.312 0.000 1.127 381 G CA 0.757 45.575 45.100 -0.470 0.000 0.766 381 G HN 0.202 nan 8.290 nan 0.000 0.552 382 F N 1.607 121.158 119.950 -0.666 0.000 2.102 382 F HA 0.049 4.576 4.527 0.001 0.000 0.298 382 F C 2.550 177.992 175.800 -0.596 0.000 1.105 382 F CA 1.206 58.529 58.000 -1.128 0.000 1.239 382 F CB -0.525 38.021 39.000 -0.757 0.000 0.991 382 F HN 0.136 nan 8.300 nan 0.000 0.474 383 R N 0.599 120.884 120.500 -0.358 0.000 2.081 383 R HA -0.158 4.182 4.340 0.001 0.000 0.235 383 R C 2.300 178.403 176.300 -0.329 0.000 1.131 383 R CA 1.633 57.520 56.100 -0.355 0.000 0.960 383 R CB -0.158 29.996 30.300 -0.243 0.000 0.856 383 R HN 0.239 nan 8.270 nan 0.000 0.436 384 K N 0.015 120.150 120.400 -0.442 0.000 2.057 384 K HA -0.212 4.109 4.320 0.001 0.000 0.207 384 K C 2.044 178.344 176.600 -0.500 0.000 1.049 384 K CA 1.698 57.560 56.287 -0.707 0.000 0.931 384 K CB -0.131 31.427 32.500 -1.570 0.000 0.714 384 K HN 0.124 nan 8.250 nan 0.000 0.440 385 E N 1.428 121.466 120.200 -0.271 0.000 2.077 385 E HA -0.125 4.225 4.350 0.001 0.000 0.193 385 E C 1.868 178.598 176.600 0.216 0.000 0.989 385 E CA 1.028 57.582 56.400 0.256 0.000 0.800 385 E CB -0.182 29.744 29.700 0.376 0.000 0.746 385 E HN 0.190 nan 8.360 nan 0.000 0.452 386 L N 0.600 121.819 121.223 -0.007 0.000 2.083 386 L HA -0.181 4.159 4.340 0.001 0.000 0.209 386 L C 2.266 179.156 176.870 0.033 0.000 1.083 386 L CA 1.170 56.002 54.840 -0.014 0.000 0.752 386 L CB -0.518 41.409 42.059 -0.219 0.000 0.899 386 L HN 0.234 nan 8.230 nan 0.000 0.433 387 N N -0.813 117.884 118.700 -0.004 0.000 2.188 387 N HA -0.229 4.511 4.740 0.001 0.000 0.184 387 N C 1.653 177.226 175.510 0.105 0.000 1.018 387 N CA 1.468 54.528 53.050 0.016 0.000 0.858 387 N CB -0.209 38.260 38.487 -0.030 0.000 0.989 387 N HN 0.418 nan 8.380 nan 0.000 0.426 388 W N 2.219 123.564 121.300 0.075 0.000 2.355 388 W HA -0.026 4.634 4.660 0.001 0.000 0.309 388 W C 2.059 178.629 176.519 0.085 0.000 1.206 388 W CA 1.018 58.457 57.345 0.156 0.000 1.284 388 W CB -0.328 29.355 29.460 0.372 0.000 1.145 388 W HN -0.072 nan 8.180 nan 0.000 0.502 389 I N 0.629 121.458 120.570 0.431 0.000 2.226 389 I HA -0.347 3.823 4.170 0.001 0.000 0.245 389 I C 2.582 178.745 176.117 0.076 0.000 1.100 389 I CA 1.860 63.358 61.300 0.329 0.000 1.374 389 I CB -0.750 37.483 38.000 0.387 0.000 1.057 389 I HN -0.032 nan 8.210 nan 0.000 0.413 390 K N 1.071 121.496 120.400 0.043 0.000 2.032 390 K HA -0.225 4.095 4.320 0.001 0.000 0.209 390 K C 1.859 178.402 176.600 -0.095 0.000 1.048 390 K CA 1.825 58.108 56.287 -0.007 0.000 0.927 390 K CB -0.067 32.425 32.500 -0.013 0.000 0.712 390 K HN 0.306 nan 8.250 nan 0.000 0.441 391 N N 0.745 119.334 118.700 -0.184 0.000 2.216 391 N HA -0.144 4.596 4.740 0.001 0.000 0.183 391 N C 1.701 176.967 175.510 -0.407 0.000 1.017 391 N CA 1.128 54.025 53.050 -0.255 0.000 0.861 391 N CB -0.074 38.268 38.487 -0.242 0.000 0.986 391 N HN 0.337 nan 8.380 nan 0.000 0.428 392 E N 0.074 119.851 120.200 -0.704 0.000 2.107 392 E HA -0.071 4.280 4.350 0.001 0.000 0.191 392 E C 0.320 176.447 176.600 -0.789 0.000 0.982 392 E CA 1.138 56.946 56.400 -0.988 0.000 0.809 392 E CB -0.024 28.606 29.700 -1.784 0.000 0.756 392 E HN 0.362 nan 8.360 nan 0.000 0.459 393 Y N -0.166 120.049 120.300 -0.142 0.000 2.636 393 Y HA 0.331 4.881 4.550 0.001 0.000 0.260 393 Y C 0.222 176.109 175.900 -0.023 0.000 1.177 393 Y CA -0.220 57.843 58.100 -0.061 0.000 1.209 393 Y CB -0.182 38.245 38.460 -0.055 0.000 1.166 393 Y HN -0.048 nan 8.280 nan 0.000 0.531 394 N N 2.114 120.826 118.700 0.020 0.000 2.756 394 N HA -0.282 4.458 4.740 0.001 0.000 0.248 394 N C -0.533 175.017 175.510 0.067 0.000 1.062 394 N CA 1.003 54.072 53.050 0.032 0.000 0.696 394 N CB -1.555 36.960 38.487 0.047 0.000 0.946 394 N HN 0.444 nan 8.380 nan 0.000 0.548 395 N N -2.133 116.601 118.700 0.057 0.000 2.696 395 N HA -0.129 4.611 4.740 0.001 0.000 0.256 395 N C -2.422 173.150 175.510 0.104 0.000 1.031 395 N CA 0.971 54.060 53.050 0.065 0.000 0.730 395 N CB -0.130 38.380 38.487 0.038 0.000 0.894 395 N HN 0.543 nan 8.380 nan 0.000 0.544 396 P HA 0.238 nan 4.420 nan 0.000 0.272 396 P C -2.651 174.747 177.300 0.163 0.000 1.230 396 P CA -0.981 62.223 63.100 0.173 0.000 0.788 396 P CB 0.023 31.808 31.700 0.142 0.000 0.949 397 P HA 0.059 nan 4.420 nan 0.000 0.263 397 P C -0.548 176.904 177.300 0.255 0.000 1.195 397 P CA 0.386 63.613 63.100 0.212 0.000 0.762 397 P CB 0.224 32.075 31.700 0.252 0.000 0.799 398 V N 5.507 125.540 119.914 0.198 0.000 2.448 398 V HA 0.385 4.506 4.120 0.001 0.000 0.295 398 V C -0.447 175.793 176.094 0.244 0.000 1.025 398 V CA -0.499 61.937 62.300 0.228 0.000 0.859 398 V CB 1.150 33.068 31.823 0.159 0.000 0.988 398 V HN 0.417 nan 8.190 nan 0.000 0.431 399 F N 5.670 125.738 119.950 0.198 0.000 2.411 399 F HA 0.557 5.084 4.527 0.001 0.000 0.352 399 F C 0.161 176.067 175.800 0.176 0.000 1.123 399 F CA -0.942 57.119 58.000 0.102 0.000 1.044 399 F CB 1.039 40.037 39.000 -0.004 0.000 1.135 399 F HN 0.286 nan 8.300 nan 0.000 0.461 400 I N 6.255 127.018 120.570 0.321 0.000 2.389 400 I HA 0.008 4.179 4.170 0.001 0.000 0.295 400 I C 1.374 177.711 176.117 0.366 0.000 1.117 400 I CA 0.264 61.781 61.300 0.362 0.000 1.317 400 I CB 0.061 38.322 38.000 0.436 0.000 1.431 400 I HN 0.685 nan 8.210 nan 0.000 0.521 401 T N 2.248 117.015 114.554 0.355 0.000 3.081 401 T HA 0.203 4.553 4.350 0.001 0.000 0.255 401 T C 0.570 175.382 174.700 0.187 0.000 1.113 401 T CA 0.204 62.474 62.100 0.284 0.000 1.082 401 T CB 0.324 69.311 68.868 0.199 0.000 0.939 401 T HN 0.583 nan 8.240 nan 0.000 0.506 402 E N 0.461 120.722 120.200 0.101 0.000 2.352 402 E HA 0.592 4.942 4.350 0.001 0.000 0.280 402 E C -1.642 174.842 176.600 -0.194 0.000 0.930 402 E CA -0.908 55.532 56.400 0.067 0.000 0.765 402 E CB 1.878 31.656 29.700 0.131 0.000 1.219 402 E HN 0.166 nan 8.360 nan 0.000 0.434 403 N N 0.559 119.145 118.700 -0.189 0.000 2.521 403 N HA 0.611 5.352 4.740 0.001 0.000 0.269 403 N C -1.409 174.154 175.510 0.090 0.000 1.079 403 N CA -0.090 52.776 53.050 -0.306 0.000 0.980 403 N CB 2.099 40.539 38.487 -0.080 0.000 1.667 403 N HN 0.678 nan 8.380 nan 0.000 0.498 404 G N 0.659 109.462 108.800 0.005 0.000 2.342 404 G HA2 0.481 4.441 3.960 0.001 0.000 0.297 404 G HA3 0.481 4.441 3.960 0.001 0.000 0.297 404 G C -2.316 172.472 174.900 -0.185 0.000 1.313 404 G CA -0.671 44.479 45.100 0.083 0.000 0.830 404 G HN 0.504 nan 8.290 nan 0.000 0.506 405 F N 0.991 120.751 119.950 -0.317 0.000 2.608 405 F HA 0.719 5.247 4.527 0.001 0.000 0.309 405 F C -0.035 175.353 175.800 -0.687 0.000 1.103 405 F CA -0.489 57.092 58.000 -0.699 0.000 0.954 405 F CB 2.315 40.747 39.000 -0.947 0.000 1.267 405 F HN 0.835 nan 8.300 nan 0.000 0.444 406 S N 3.123 117.809 115.700 -1.690 0.000 2.509 406 S HA 0.831 5.301 4.470 0.001 0.000 0.297 406 S C -1.280 172.525 174.600 -1.325 0.000 1.118 406 S CA -0.537 56.688 58.200 -1.625 0.000 1.074 406 S CB 2.037 64.192 63.200 -1.743 0.000 1.038 406 S HN 0.666 nan 8.310 nan 0.000 0.498 407 D N -0.165 119.764 120.400 -0.785 0.000 2.732 407 D HA 0.324 4.964 4.640 0.001 0.000 0.292 407 D C -0.635 175.381 176.300 -0.472 0.000 1.135 407 D CA -0.851 52.819 54.000 -0.551 0.000 1.071 407 D CB -0.090 40.599 40.800 -0.184 0.000 1.457 407 D HN 0.400 nan 8.370 nan 0.000 0.547 408 Y N -0.606 119.632 120.300 -0.102 0.000 2.457 408 Y HA 0.554 5.104 4.550 0.001 0.000 0.263 408 Y C 1.176 177.076 175.900 0.001 0.000 1.164 408 Y CA 0.681 58.752 58.100 -0.049 0.000 1.274 408 Y CB 0.673 39.114 38.460 -0.032 0.000 1.097 408 Y HN 0.784 nan 8.280 nan 0.000 0.523 409 G N -1.809 107.060 108.800 0.115 0.000 2.361 409 G HA2 0.454 4.414 3.960 0.001 0.000 0.305 409 G HA3 0.454 4.414 3.960 0.001 0.000 0.305 409 G C -0.590 174.358 174.900 0.081 0.000 1.367 409 G CA -0.077 45.086 45.100 0.105 0.000 0.951 409 G HN 0.640 nan 8.290 nan 0.000 0.615 410 G N -1.799 107.041 108.800 0.068 0.000 2.674 410 G HA2 0.247 4.207 3.960 0.001 0.000 0.686 410 G HA3 0.247 4.207 3.960 0.001 0.000 0.686 410 G C 0.456 175.382 174.900 0.044 0.000 1.195 410 G CA 0.045 45.178 45.100 0.055 0.000 0.776 410 G HN 1.398 nan 8.290 nan 0.000 0.654 411 L N 0.201 121.443 121.223 0.030 0.000 2.408 411 L HA 0.198 4.539 4.340 0.001 0.000 0.215 411 L C 1.523 178.405 176.870 0.021 0.000 1.081 411 L CA 0.372 55.220 54.840 0.013 0.000 0.840 411 L CB 0.006 42.065 42.059 -0.001 0.000 1.002 411 L HN 0.479 nan 8.230 nan 0.000 0.468 412 N N 1.670 120.390 118.700 0.034 0.000 3.188 412 N HA -0.003 4.737 4.740 0.001 0.000 0.279 412 N C -0.525 175.021 175.510 0.061 0.000 1.213 412 N CA -0.285 52.790 53.050 0.042 0.000 1.138 412 N CB -0.005 38.506 38.487 0.039 0.000 1.417 412 N HN 0.129 nan 8.380 nan 0.000 0.526 413 D N 0.552 120.993 120.400 0.068 0.000 2.741 413 D HA 0.003 4.644 4.640 0.001 0.000 0.233 413 D C 1.126 177.487 176.300 0.102 0.000 1.160 413 D CA -0.352 53.705 54.000 0.096 0.000 1.003 413 D CB -0.195 40.671 40.800 0.110 0.000 1.064 413 D HN 0.416 nan 8.370 nan 0.000 0.503 414 T N -2.062 112.546 114.554 0.090 0.000 2.788 414 T HA -0.120 4.231 4.350 0.001 0.000 0.268 414 T C 2.056 176.791 174.700 0.059 0.000 1.044 414 T CA 1.116 63.269 62.100 0.087 0.000 1.139 414 T CB -0.625 68.290 68.868 0.078 0.000 0.867 414 T HN 0.294 nan 8.240 nan 0.000 0.454 415 G N 1.332 110.152 108.800 0.034 0.000 2.418 415 G HA2 -0.225 3.736 3.960 0.001 0.000 0.217 415 G HA3 -0.225 3.736 3.960 0.001 0.000 0.217 415 G C 1.744 176.382 174.900 -0.437 0.000 1.158 415 G CA 0.718 45.732 45.100 -0.145 0.000 0.771 415 G HN 0.568 nan 8.290 nan 0.000 0.545 416 R N -0.178 120.241 120.500 -0.135 0.000 2.092 416 R HA -0.011 4.329 4.340 0.001 0.000 0.231 416 R C 2.626 178.988 176.300 0.103 0.000 1.119 416 R CA 1.268 57.355 56.100 -0.022 0.000 0.970 416 R CB -0.336 30.127 30.300 0.272 0.000 0.864 416 R HN 0.245 nan 8.270 nan 0.000 0.440 417 V N 0.299 120.281 119.914 0.113 0.000 2.295 417 V HA -0.277 3.843 4.120 0.001 0.000 0.246 417 V C 2.220 178.331 176.094 0.027 0.000 1.049 417 V CA 2.355 64.709 62.300 0.090 0.000 1.024 417 V CB -0.743 31.125 31.823 0.075 0.000 0.648 417 V HN 0.544 nan 8.190 nan 0.000 0.447 418 H N -1.111 117.931 119.070 -0.046 0.000 2.353 418 H HA -0.265 4.292 4.556 0.001 0.000 0.300 418 H C 2.148 177.445 175.328 -0.052 0.000 1.090 418 H CA 2.350 58.371 56.048 -0.045 0.000 1.327 418 H CB -0.354 29.383 29.762 -0.041 0.000 1.383 418 H HN 0.493 nan 8.280 nan 0.000 0.508 419 Y N -0.144 120.013 120.300 -0.238 0.000 2.128 419 Y HA -0.304 4.247 4.550 0.001 0.000 0.284 419 Y C 1.722 177.546 175.900 -0.127 0.000 1.154 419 Y CA 1.999 59.941 58.100 -0.263 0.000 1.149 419 Y CB -0.647 37.480 38.460 -0.556 0.000 0.976 419 Y HN 0.263 nan 8.280 nan 0.000 0.505 420 Y N 0.129 120.541 120.300 0.187 0.000 2.200 420 Y HA -0.214 4.336 4.550 0.001 0.000 0.290 420 Y C 2.952 178.840 175.900 -0.021 0.000 1.137 420 Y CA 2.036 60.227 58.100 0.152 0.000 1.163 420 Y CB -1.168 37.371 38.460 0.131 0.000 0.988 420 Y HN 0.307 nan 8.280 nan 0.000 0.518 421 T N -2.335 112.207 114.554 -0.021 0.000 2.777 421 T HA -0.147 4.203 4.350 0.001 0.000 0.266 421 T C 1.657 176.291 174.700 -0.109 0.000 1.040 421 T CA 1.464 63.472 62.100 -0.152 0.000 1.141 421 T CB -0.208 68.393 68.868 -0.446 0.000 0.868 421 T HN 0.178 nan 8.240 nan 0.000 0.444 422 E N 1.094 121.165 120.200 -0.215 0.000 2.047 422 E HA -0.104 4.247 4.350 0.001 0.000 0.191 422 E C 2.240 178.713 176.600 -0.211 0.000 0.987 422 E CA 1.429 57.671 56.400 -0.263 0.000 0.799 422 E CB -0.562 28.849 29.700 -0.480 0.000 0.752 422 E HN 0.710 nan 8.360 nan 0.000 0.449 423 H N 0.588 119.542 119.070 -0.194 0.000 2.387 423 H HA 0.005 4.562 4.556 0.001 0.000 0.299 423 H C 2.237 177.659 175.328 0.157 0.000 1.090 423 H CA 1.051 57.101 56.048 0.004 0.000 1.332 423 H CB -0.215 29.474 29.762 -0.122 0.000 1.386 423 H HN 0.028 nan 8.280 nan 0.000 0.516 424 L N 0.256 121.574 121.223 0.159 0.000 2.056 424 L HA -0.177 4.163 4.340 0.001 0.000 0.207 424 L C 2.220 179.047 176.870 -0.073 0.000 1.078 424 L CA 1.301 56.160 54.840 0.031 0.000 0.749 424 L CB -0.276 41.806 42.059 0.037 0.000 0.901 424 L HN 0.234 nan 8.230 nan 0.000 0.433 425 K N -0.308 120.065 120.400 -0.046 0.000 2.063 425 K HA -0.178 4.143 4.320 0.001 0.000 0.208 425 K C 2.071 178.591 176.600 -0.135 0.000 1.048 425 K CA 1.195 57.446 56.287 -0.059 0.000 0.928 425 K CB -0.080 32.439 32.500 0.032 0.000 0.713 425 K HN 0.254 nan 8.250 nan 0.000 0.442 426 E N 0.686 120.808 120.200 -0.129 0.000 2.072 426 E HA -0.179 4.172 4.350 0.001 0.000 0.191 426 E C 1.923 178.340 176.600 -0.305 0.000 0.985 426 E CA 0.931 57.220 56.400 -0.186 0.000 0.801 426 E CB -0.149 29.451 29.700 -0.166 0.000 0.750 426 E HN 0.341 nan 8.360 nan 0.000 0.452 427 M N 0.383 119.781 119.600 -0.338 0.000 2.117 427 M HA -0.150 4.330 4.480 0.001 0.000 0.262 427 M C 2.139 178.208 176.300 -0.386 0.000 1.065 427 M CA 1.246 56.261 55.300 -0.475 0.000 1.114 427 M CB -0.012 32.406 32.600 -0.305 0.000 1.361 427 M HN 0.055 nan 8.290 nan 0.000 0.408 428 L N -0.064 120.937 121.223 -0.370 0.000 2.141 428 L HA -0.210 4.130 4.340 0.001 0.000 0.209 428 L C 2.360 179.062 176.870 -0.281 0.000 1.094 428 L CA 1.183 55.781 54.840 -0.403 0.000 0.763 428 L CB -0.497 41.309 42.059 -0.422 0.000 0.908 428 L HN 0.287 nan 8.230 nan 0.000 0.437 429 K N 0.024 120.271 120.400 -0.254 0.000 2.057 429 K HA -0.133 4.187 4.320 0.001 0.000 0.207 429 K C 2.258 178.734 176.600 -0.205 0.000 1.049 429 K CA 1.297 57.460 56.287 -0.207 0.000 0.931 429 K CB -0.266 32.118 32.500 -0.193 0.000 0.714 429 K HN 0.268 nan 8.250 nan 0.000 0.440 430 A N 1.603 124.269 122.820 -0.256 0.000 1.908 430 A HA -0.177 4.143 4.320 0.001 0.000 0.218 430 A C 2.130 179.581 177.584 -0.222 0.000 1.181 430 A CA 1.403 53.295 52.037 -0.242 0.000 0.627 430 A CB -0.600 18.212 19.000 -0.314 0.000 0.818 430 A HN 0.171 nan 8.150 nan 0.000 0.445 431 I N -1.624 118.769 120.570 -0.294 0.000 2.133 431 I HA -0.207 3.963 4.170 0.001 0.000 0.238 431 I C 2.550 178.477 176.117 -0.317 0.000 1.074 431 I CA 1.382 62.474 61.300 -0.347 0.000 1.342 431 I CB -0.490 37.178 38.000 -0.553 0.000 1.053 431 I HN 0.378 nan 8.210 nan 0.000 0.404 432 H N 0.429 119.392 119.070 -0.177 0.000 2.384 432 H HA 0.027 4.584 4.556 0.001 0.000 0.300 432 H C 1.966 177.213 175.328 -0.136 0.000 1.057 432 H CA 1.117 57.071 56.048 -0.157 0.000 1.370 432 H CB 0.066 29.708 29.762 -0.200 0.000 1.417 432 H HN 0.433 nan 8.280 nan 0.000 0.527 433 E N 0.105 120.285 120.200 -0.033 0.000 2.190 433 E HA -0.058 4.293 4.350 0.001 0.000 0.191 433 E C 0.686 177.246 176.600 -0.067 0.000 0.978 433 E CA 0.625 56.989 56.400 -0.061 0.000 0.839 433 E CB 0.371 30.018 29.700 -0.089 0.000 0.787 433 E HN 0.369 nan 8.360 nan 0.000 0.473 434 D N -0.808 119.540 120.400 -0.086 0.000 2.407 434 D HA 0.097 4.737 4.640 0.001 0.000 0.208 434 D C 0.930 177.189 176.300 -0.070 0.000 1.083 434 D CA 0.569 54.520 54.000 -0.080 0.000 0.844 434 D CB 1.074 41.815 40.800 -0.099 0.000 0.967 434 D HN 0.223 nan 8.370 nan 0.000 0.506 435 G N 1.166 109.922 108.800 -0.073 0.000 2.176 435 G HA2 -0.277 3.684 3.960 0.001 0.000 0.252 435 G HA3 -0.277 3.684 3.960 0.001 0.000 0.252 435 G C 0.327 175.196 174.900 -0.052 0.000 1.024 435 G CA 0.230 45.297 45.100 -0.055 0.000 0.755 435 G HN 0.276 nan 8.290 nan 0.000 0.507 436 V N 0.539 120.408 119.914 -0.075 0.000 2.530 436 V HA 0.267 4.388 4.120 0.001 0.000 0.282 436 V C 0.988 177.062 176.094 -0.033 0.000 1.048 436 V CA -0.234 62.034 62.300 -0.053 0.000 0.997 436 V CB 1.546 33.322 31.823 -0.079 0.000 0.987 436 V HN 0.389 nan 8.190 nan 0.000 0.477 437 N N 4.738 123.445 118.700 0.011 0.000 3.178 437 N HA 0.094 4.835 4.740 0.001 0.000 0.300 437 N C -0.528 175.021 175.510 0.066 0.000 1.242 437 N CA -0.036 53.037 53.050 0.039 0.000 1.192 437 N CB -0.055 38.469 38.487 0.061 0.000 1.463 437 N HN 0.464 nan 8.380 nan 0.000 0.539 438 V N 3.884 123.842 119.914 0.074 0.000 2.488 438 V HA 0.137 4.258 4.120 0.001 0.000 0.277 438 V C 1.692 177.884 176.094 0.163 0.000 1.046 438 V CA -0.318 62.066 62.300 0.139 0.000 0.986 438 V CB 0.836 32.777 31.823 0.195 0.000 0.989 438 V HN 0.488 nan 8.190 nan 0.000 0.475 439 I N 1.327 121.835 120.570 -0.103 0.000 4.181 439 I HA 0.719 4.889 4.170 0.001 0.000 0.331 439 I C 0.749 176.193 176.117 -1.121 0.000 1.312 439 I CA 0.281 61.374 61.300 -0.345 0.000 1.146 439 I CB 0.681 38.589 38.000 -0.152 0.000 1.074 439 I HN 0.649 nan 8.210 nan 0.000 0.402 440 G N 0.288 108.138 108.800 -1.584 0.000 2.506 440 G HA2 0.483 4.443 3.960 0.001 0.000 0.292 440 G HA3 0.483 4.443 3.960 0.001 0.000 0.292 440 G C -2.516 171.598 174.900 -1.310 0.000 1.425 440 G CA -0.513 43.288 45.100 -2.164 0.000 0.788 440 G HN 0.106 nan 8.290 nan 0.000 0.490 441 Y N 0.619 120.438 120.300 -0.801 0.000 2.348 441 Y HA 0.575 5.126 4.550 0.001 0.000 0.321 441 Y C -0.556 175.445 175.900 0.168 0.000 1.163 441 Y CA -0.488 57.603 58.100 -0.015 0.000 1.070 441 Y CB 1.921 40.594 38.460 0.356 0.000 1.250 441 Y HN 0.844 nan 8.280 nan 0.000 0.425 442 T N 3.055 117.648 114.554 0.065 0.000 2.786 442 T HA 0.833 5.183 4.350 0.001 0.000 0.283 442 T C -0.028 174.631 174.700 -0.068 0.000 0.992 442 T CA -0.538 61.640 62.100 0.130 0.000 0.954 442 T CB 1.311 70.336 68.868 0.262 0.000 0.934 442 T HN 0.965 nan 8.240 nan 0.000 0.440 443 A N 4.073 126.934 122.820 0.069 0.000 2.511 443 A HA 0.359 4.679 4.320 0.001 0.000 0.242 443 A C -0.059 177.687 177.584 0.271 0.000 1.069 443 A CA -0.705 51.454 52.037 0.203 0.000 0.763 443 A CB 0.122 19.212 19.000 0.150 0.000 1.001 443 A HN 0.940 nan 8.150 nan 0.000 0.498 444 W N 3.702 125.144 121.300 0.237 0.000 2.308 444 W HA 0.509 5.169 4.660 0.001 0.000 0.311 444 W C -0.424 176.323 176.519 0.380 0.000 1.088 444 W CA -0.162 57.333 57.345 0.250 0.000 1.309 444 W CB 1.366 30.966 29.460 0.233 0.000 1.229 444 W HN 0.699 nan 8.180 nan 0.000 0.427 445 S N 4.348 119.907 115.700 -0.235 0.000 2.632 445 S HA 0.270 4.740 4.470 0.001 0.000 0.289 445 S C 0.477 174.953 174.600 -0.206 0.000 1.115 445 S CA -0.726 57.056 58.200 -0.697 0.000 0.889 445 S CB 1.569 63.929 63.200 -1.401 0.000 1.116 445 S HN 0.537 nan 8.310 nan 0.000 0.486 446 L N 2.460 123.582 121.223 -0.168 0.000 2.021 446 L HA 0.082 4.422 4.340 0.001 0.000 0.215 446 L C 0.614 177.501 176.870 0.028 0.000 1.074 446 L CA 2.022 56.843 54.840 -0.032 0.000 0.760 446 L CB -0.465 41.559 42.059 -0.057 0.000 0.889 446 L HN 0.816 nan 8.230 nan 0.000 0.433 447 M N -2.436 117.142 119.600 -0.036 0.000 2.569 447 M HA 0.378 4.859 4.480 0.001 0.000 0.279 447 M C -1.308 175.033 176.300 0.069 0.000 1.253 447 M CA -0.901 54.431 55.300 0.054 0.000 0.867 447 M CB 0.804 33.422 32.600 0.030 0.000 1.727 447 M HN -0.253 nan 8.290 nan 0.000 0.467 448 D N 2.910 123.405 120.400 0.159 0.000 2.506 448 D HA 0.347 4.987 4.640 0.001 0.000 0.234 448 D C -0.232 176.337 176.300 0.448 0.000 1.143 448 D CA 1.100 55.277 54.000 0.295 0.000 0.871 448 D CB 0.348 41.374 40.800 0.376 0.000 1.190 448 D HN 0.796 nan 8.370 nan 0.000 0.459 449 N N -0.524 118.429 118.700 0.421 0.000 3.364 449 N HA 0.259 4.999 4.740 0.001 0.000 0.294 449 N C -1.459 174.128 175.510 0.127 0.000 1.562 449 N CA -0.914 52.359 53.050 0.372 0.000 0.862 449 N CB 0.168 38.755 38.487 0.167 0.000 1.691 449 N HN 0.212 nan 8.380 nan 0.000 0.572 450 F N 0.853 120.666 119.950 -0.229 0.000 2.462 450 F HA 0.297 4.824 4.527 0.001 0.000 0.360 450 F C 0.687 176.099 175.800 -0.646 0.000 1.134 450 F CA -0.350 57.219 58.000 -0.718 0.000 1.148 450 F CB 0.545 39.133 39.000 -0.686 0.000 1.147 450 F HN 0.646 nan 8.300 nan 0.000 0.550 451 E N 7.339 127.007 120.200 -0.886 0.000 2.392 451 E HA 0.178 4.529 4.350 0.001 0.000 0.307 451 E C -0.270 175.950 176.600 -0.633 0.000 1.505 451 E CA -0.071 55.992 56.400 -0.561 0.000 1.716 451 E CB -0.523 29.127 29.700 -0.083 0.000 1.450 451 E HN 0.722 nan 8.360 nan 0.000 0.484 452 W N -0.020 120.751 121.300 -0.883 0.000 2.152 452 W HA -0.479 4.181 4.660 0.001 0.000 0.285 452 W C 1.289 177.591 176.519 -0.361 0.000 1.275 452 W CA 0.764 57.770 57.345 -0.565 0.000 1.220 452 W CB -1.381 27.967 29.460 -0.186 0.000 0.889 452 W HN 0.213 nan 8.180 nan 0.000 0.529 453 L N 0.930 122.347 121.223 0.325 0.000 2.353 453 L HA -0.106 4.234 4.340 0.001 0.000 0.220 453 L C 2.253 179.173 176.870 0.083 0.000 1.133 453 L CA 1.043 56.038 54.840 0.259 0.000 0.798 453 L CB -0.809 41.408 42.059 0.263 0.000 0.922 453 L HN 0.217 nan 8.230 nan 0.000 0.445 454 R N 0.591 121.083 120.500 -0.014 0.000 2.310 454 R HA 0.211 4.552 4.340 0.001 0.000 0.202 454 R C 1.243 177.433 176.300 -0.184 0.000 0.933 454 R CA 0.607 56.686 56.100 -0.034 0.000 1.054 454 R CB -0.795 29.532 30.300 0.045 0.000 0.985 454 R HN 0.347 nan 8.270 nan 0.000 0.489 455 G N 1.292 109.807 108.800 -0.475 0.000 2.596 455 G HA2 -0.371 3.590 3.960 0.001 0.000 0.295 455 G HA3 -0.371 3.590 3.960 0.001 0.000 0.295 455 G C 0.219 174.669 174.900 -0.750 0.000 1.240 455 G CA 0.479 45.191 45.100 -0.647 0.000 0.985 455 G HN 0.420 nan 8.290 nan 0.000 0.555 456 Y N 1.741 121.946 120.300 -0.160 0.000 2.470 456 Y HA 0.334 4.884 4.550 0.001 0.000 0.284 456 Y C 2.757 178.635 175.900 -0.036 0.000 1.188 456 Y CA 0.908 58.887 58.100 -0.201 0.000 1.269 456 Y CB 0.308 38.527 38.460 -0.402 0.000 1.094 456 Y HN 0.572 nan 8.280 nan 0.000 0.518 457 S N -0.772 114.971 115.700 0.071 0.000 2.436 457 S HA -0.008 4.463 4.470 0.001 0.000 0.228 457 S C 0.411 175.107 174.600 0.161 0.000 1.014 457 S CA 0.173 58.462 58.200 0.149 0.000 0.950 457 S CB -0.076 63.210 63.200 0.144 0.000 0.784 457 S HN 0.387 nan 8.310 nan 0.000 0.504 458 E N 1.494 121.728 120.200 0.057 0.000 2.158 458 E HA 0.407 4.757 4.350 0.001 0.000 0.271 458 E C -1.049 175.542 176.600 -0.014 0.000 0.911 458 E CA -0.801 55.556 56.400 -0.071 0.000 0.767 458 E CB 1.044 30.701 29.700 -0.071 0.000 1.120 458 E HN 0.084 nan 8.360 nan 0.000 0.405 459 K N 2.791 123.107 120.400 -0.140 0.000 2.265 459 K HA 0.291 4.611 4.320 0.001 0.000 0.267 459 K C -0.362 176.148 176.600 -0.151 0.000 0.994 459 K CA -0.387 55.897 56.287 -0.005 0.000 0.860 459 K CB 0.714 33.227 32.500 0.022 0.000 1.099 459 K HN 0.536 nan 8.250 nan 0.000 0.448 460 F N -0.067 119.930 119.950 0.079 0.000 2.682 460 F HA 0.189 4.716 4.527 0.001 0.000 0.308 460 F C 1.454 177.303 175.800 0.082 0.000 1.093 460 F CA -0.488 57.580 58.000 0.114 0.000 1.244 460 F CB 0.850 40.029 39.000 0.299 0.000 1.052 460 F HN 0.605 nan 8.300 nan 0.000 0.573 461 G N 1.069 109.991 108.800 0.204 0.000 2.527 461 G HA2 0.303 4.263 3.960 0.001 0.000 0.248 461 G HA3 0.303 4.263 3.960 0.001 0.000 0.248 461 G C 1.116 176.108 174.900 0.153 0.000 1.231 461 G CA -0.364 44.819 45.100 0.140 0.000 0.838 461 G HN 0.406 nan 8.290 nan 0.000 0.570 462 I N -1.802 118.853 120.570 0.141 0.000 3.030 462 I HA 0.315 4.486 4.170 0.001 0.000 0.270 462 I C -0.173 175.909 176.117 -0.057 0.000 1.211 462 I CA -0.144 61.199 61.300 0.072 0.000 1.479 462 I CB 0.032 38.053 38.000 0.035 0.000 1.105 462 I HN 0.240 nan 8.210 nan 0.000 0.447 463 Y N 2.148 122.446 120.300 -0.003 0.000 2.360 463 Y HA 0.701 5.252 4.550 0.001 0.000 0.337 463 Y C 0.551 176.444 175.900 -0.012 0.000 1.039 463 Y CA -0.955 57.133 58.100 -0.020 0.000 1.109 463 Y CB 1.523 39.953 38.460 -0.050 0.000 1.201 463 Y HN 0.043 nan 8.280 nan 0.000 0.458 464 A N 2.655 125.525 122.820 0.082 0.000 2.316 464 A HA 0.711 5.032 4.320 0.001 0.000 0.284 464 A C -0.995 176.576 177.584 -0.022 0.000 1.115 464 A CA -0.484 51.577 52.037 0.040 0.000 0.812 464 A CB 0.498 19.507 19.000 0.015 0.000 1.064 464 A HN 0.528 nan 8.150 nan 0.000 0.489 465 V N 2.208 122.038 119.914 -0.140 0.000 2.588 465 V HA 0.248 4.369 4.120 0.001 0.000 0.304 465 V C -0.789 174.973 176.094 -0.552 0.000 1.042 465 V CA -0.697 61.363 62.300 -0.400 0.000 0.877 465 V CB 1.907 33.341 31.823 -0.648 0.000 0.996 465 V HN 0.953 nan 8.190 nan 0.000 0.425 466 D N 3.400 123.564 120.400 -0.394 0.000 2.374 466 D HA 0.235 4.875 4.640 0.001 0.000 0.240 466 D C 0.499 176.592 176.300 -0.345 0.000 1.229 466 D CA -0.169 53.670 54.000 -0.269 0.000 0.895 466 D CB 0.599 41.319 40.800 -0.134 0.000 1.046 466 D HN 0.377 nan 8.370 nan 0.000 0.498 467 F N 1.465 121.362 119.950 -0.087 0.000 2.771 467 F HA 0.041 4.569 4.527 0.001 0.000 0.299 467 F C 2.010 177.733 175.800 -0.129 0.000 1.177 467 F CA 0.299 58.194 58.000 -0.175 0.000 1.450 467 F CB 0.223 39.002 39.000 -0.368 0.000 1.114 467 F HN 0.359 nan 8.300 nan 0.000 0.587 468 E N -0.553 119.669 120.200 0.037 0.000 2.474 468 E HA -0.018 4.332 4.350 0.001 0.000 0.195 468 E C 0.013 176.609 176.600 -0.007 0.000 1.039 468 E CA 0.252 56.665 56.400 0.021 0.000 0.881 468 E CB 0.032 29.748 29.700 0.026 0.000 0.970 468 E HN 0.216 nan 8.360 nan 0.000 0.486 469 D N 1.009 121.388 120.400 -0.036 0.000 2.349 469 D HA 0.141 4.781 4.640 0.001 0.000 0.232 469 D C -1.961 174.311 176.300 -0.045 0.000 1.071 469 D CA -2.446 51.528 54.000 -0.044 0.000 0.832 469 D CB 1.978 42.739 40.800 -0.064 0.000 1.086 469 D HN -0.253 nan 8.370 nan 0.000 0.504 470 P HA -0.049 nan 4.420 nan 0.000 0.221 470 P C 0.756 178.035 177.300 -0.035 0.000 1.145 470 P CA 0.789 63.874 63.100 -0.025 0.000 0.795 470 P CB 0.276 31.963 31.700 -0.022 0.000 0.775 471 A N -0.758 122.034 122.820 -0.047 0.000 2.208 471 A HA -0.018 4.303 4.320 0.001 0.000 0.209 471 A C 0.632 178.174 177.584 -0.069 0.000 1.161 471 A CA 0.088 52.093 52.037 -0.054 0.000 0.782 471 A CB -0.621 18.347 19.000 -0.054 0.000 0.816 471 A HN -0.056 nan 8.150 nan 0.000 0.477 472 R N -1.481 118.963 120.500 -0.093 0.000 3.251 472 R HA -0.126 4.215 4.340 0.001 0.000 0.249 472 R C -2.619 173.594 176.300 -0.145 0.000 0.949 472 R CA 0.818 56.828 56.100 -0.151 0.000 0.645 472 R CB -2.593 27.636 30.300 -0.119 0.000 1.065 472 R HN 0.456 nan 8.270 nan 0.000 0.452 473 P HA 0.093 nan 4.420 nan 0.000 0.268 473 P C -0.206 177.035 177.300 -0.099 0.000 1.205 473 P CA 0.065 63.107 63.100 -0.096 0.000 0.771 473 P CB 0.576 32.234 31.700 -0.071 0.000 0.858 474 R N 2.903 123.362 120.500 -0.068 0.000 2.294 474 R HA 0.586 4.926 4.340 0.001 0.000 0.319 474 R C 0.180 176.551 176.300 0.119 0.000 0.984 474 R CA -0.498 55.599 56.100 -0.006 0.000 0.861 474 R CB 0.362 30.608 30.300 -0.091 0.000 1.104 474 R HN 0.542 nan 8.270 nan 0.000 0.451 475 I N -0.622 120.051 120.570 0.173 0.000 2.545 475 I HA 0.663 4.833 4.170 0.001 0.000 0.292 475 I C -2.578 173.554 176.117 0.024 0.000 1.040 475 I CA -2.980 58.399 61.300 0.133 0.000 1.068 475 I CB 2.791 40.807 38.000 0.028 0.000 1.251 475 I HN 0.379 nan 8.210 nan 0.000 0.424 476 P HA 0.239 nan 4.420 nan 0.000 0.276 476 P C -1.086 176.017 177.300 -0.329 0.000 1.230 476 P CA -0.120 62.585 63.100 -0.658 0.000 0.776 476 P CB 0.973 32.377 31.700 -0.494 0.000 0.888 477 K N 1.568 121.773 120.400 -0.324 0.000 2.127 477 K HA 0.100 4.420 4.320 0.001 0.000 0.240 477 K C 1.364 177.891 176.600 -0.122 0.000 1.024 477 K CA -0.421 55.779 56.287 -0.144 0.000 0.918 477 K CB 0.392 32.849 32.500 -0.071 0.000 1.108 477 K HN 0.290 nan 8.250 nan 0.000 0.485 478 E N 1.110 121.284 120.200 -0.042 0.000 2.118 478 E HA -0.209 4.141 4.350 0.001 0.000 0.195 478 E C 1.639 178.233 176.600 -0.010 0.000 0.992 478 E CA 2.233 58.627 56.400 -0.010 0.000 0.804 478 E CB -0.135 29.586 29.700 0.035 0.000 0.741 478 E HN 0.614 nan 8.360 nan 0.000 0.458 479 S N -0.139 115.562 115.700 0.003 0.000 2.382 479 S HA -0.119 4.351 4.470 0.001 0.000 0.228 479 S C 2.250 176.807 174.600 -0.071 0.000 1.027 479 S CA 1.062 59.272 58.200 0.016 0.000 0.991 479 S CB -0.609 62.667 63.200 0.126 0.000 0.823 479 S HN 0.388 nan 8.310 nan 0.000 0.469 480 A N 2.335 125.067 122.820 -0.147 0.000 1.933 480 A HA -0.073 4.247 4.320 0.001 0.000 0.218 480 A C 2.261 179.770 177.584 -0.125 0.000 1.175 480 A CA 1.610 53.523 52.037 -0.207 0.000 0.628 480 A CB -0.557 18.099 19.000 -0.573 0.000 0.814 480 A HN 0.614 nan 8.150 nan 0.000 0.444 481 K N -0.575 119.763 120.400 -0.103 0.000 2.057 481 K HA -0.023 4.298 4.320 0.001 0.000 0.206 481 K C 1.852 178.447 176.600 -0.007 0.000 1.050 481 K CA 1.292 57.552 56.287 -0.044 0.000 0.935 481 K CB -0.309 32.175 32.500 -0.026 0.000 0.715 481 K HN 0.289 nan 8.250 nan 0.000 0.439 482 V N 1.875 121.788 119.914 -0.001 0.000 2.358 482 V HA -0.215 3.905 4.120 0.001 0.000 0.246 482 V C 2.188 178.264 176.094 -0.030 0.000 1.047 482 V CA 1.538 63.846 62.300 0.014 0.000 1.035 482 V CB -0.373 31.439 31.823 -0.018 0.000 0.658 482 V HN 0.270 nan 8.190 nan 0.000 0.452 483 L N -0.063 121.116 121.223 -0.073 0.000 2.093 483 L HA -0.124 4.216 4.340 0.001 0.000 0.208 483 L C 2.703 179.543 176.870 -0.050 0.000 1.085 483 L CA 1.356 56.140 54.840 -0.093 0.000 0.755 483 L CB -0.711 41.253 42.059 -0.158 0.000 0.904 483 L HN 0.362 nan 8.230 nan 0.000 0.435 484 A N -0.155 122.649 122.820 -0.026 0.000 1.902 484 A HA -0.275 4.045 4.320 0.001 0.000 0.217 484 A C 2.262 179.845 177.584 -0.000 0.000 1.181 484 A CA 1.931 53.964 52.037 -0.006 0.000 0.623 484 A CB -0.518 18.487 19.000 0.008 0.000 0.818 484 A HN 0.483 nan 8.150 nan 0.000 0.443 485 E N -0.199 120.009 120.200 0.014 0.000 2.077 485 E HA -0.185 4.165 4.350 0.001 0.000 0.193 485 E C 1.877 178.499 176.600 0.036 0.000 0.989 485 E CA 1.369 57.791 56.400 0.035 0.000 0.800 485 E CB -0.233 29.507 29.700 0.067 0.000 0.746 485 E HN 0.672 nan 8.360 nan 0.000 0.452 486 I N 0.438 121.022 120.570 0.023 0.000 2.226 486 I HA -0.301 3.869 4.170 0.001 0.000 0.245 486 I C 2.599 178.685 176.117 -0.051 0.000 1.100 486 I CA 1.107 62.420 61.300 0.022 0.000 1.374 486 I CB -0.175 37.830 38.000 0.008 0.000 1.057 486 I HN 0.243 nan 8.210 nan 0.000 0.413 487 M N -0.101 119.450 119.600 -0.081 0.000 2.229 487 M HA -0.183 4.297 4.480 0.001 0.000 0.264 487 M C 2.023 178.295 176.300 -0.046 0.000 1.063 487 M CA 1.651 56.889 55.300 -0.103 0.000 1.114 487 M CB -0.558 32.000 32.600 -0.071 0.000 1.387 487 M HN 0.244 nan 8.290 nan 0.000 0.420 488 N N 0.200 118.892 118.700 -0.014 0.000 2.171 488 N HA -0.124 4.617 4.740 0.001 0.000 0.184 488 N C 1.639 177.160 175.510 0.019 0.000 1.021 488 N CA 2.098 55.150 53.050 0.005 0.000 0.854 488 N CB -0.037 38.456 38.487 0.011 0.000 0.994 488 N HN 0.359 nan 8.380 nan 0.000 0.426 489 T N -2.753 111.820 114.554 0.032 0.000 3.067 489 T HA 0.165 4.516 4.350 0.001 0.000 0.257 489 T C 0.505 175.252 174.700 0.079 0.000 1.105 489 T CA -0.096 62.035 62.100 0.052 0.000 1.104 489 T CB -0.033 68.871 68.868 0.060 0.000 0.925 489 T HN 0.167 nan 8.240 nan 0.000 0.498 490 R N 1.360 121.909 120.500 0.082 0.000 3.770 490 R HA -0.128 4.212 4.340 0.001 0.000 0.305 490 R C -0.288 176.224 176.300 0.354 0.000 1.184 490 R CA 1.356 57.551 56.100 0.160 0.000 0.823 490 R CB -2.572 27.809 30.300 0.135 0.000 1.285 490 R HN 0.862 nan 8.270 nan 0.000 0.499 491 K N -1.033 119.545 120.400 0.296 0.000 2.548 491 K HA 0.480 4.801 4.320 0.001 0.000 0.282 491 K C -0.305 176.438 176.600 0.238 0.000 1.006 491 K CA -1.143 55.299 56.287 0.259 0.000 0.892 491 K CB 1.482 34.064 32.500 0.135 0.000 1.499 491 K HN -0.155 nan 8.250 nan 0.000 0.433 492 I N 2.074 122.745 120.570 0.168 0.000 2.452 492 I HA 0.170 4.341 4.170 0.001 0.000 0.287 492 I C -2.139 174.026 176.117 0.080 0.000 1.079 492 I CA -2.339 59.041 61.300 0.133 0.000 1.387 492 I CB -0.062 38.000 38.000 0.104 0.000 1.404 492 I HN 0.456 nan 8.210 nan 0.000 0.522 493 P HA -0.007 nan 4.420 nan 0.000 0.267 493 P C 1.004 178.292 177.300 -0.019 0.000 1.200 493 P CA 0.007 63.175 63.100 0.112 0.000 0.772 493 P CB 0.748 32.585 31.700 0.228 0.000 0.855 494 E N 3.660 123.794 120.200 -0.109 0.000 2.147 494 E HA -0.302 4.048 4.350 0.001 0.000 0.199 494 E C 1.620 178.092 176.600 -0.214 0.000 1.005 494 E CA 1.245 57.538 56.400 -0.179 0.000 0.810 494 E CB -0.019 29.599 29.700 -0.136 0.000 0.736 494 E HN 0.376 nan 8.360 nan 0.000 0.460 495 R N -0.567 119.756 120.500 -0.296 0.000 2.285 495 R HA -0.092 4.248 4.340 0.001 0.000 0.213 495 R C 1.104 177.100 176.300 -0.507 0.000 1.068 495 R CA 1.159 57.002 56.100 -0.429 0.000 1.004 495 R CB -0.312 29.660 30.300 -0.547 0.000 0.873 495 R HN 0.211 nan 8.270 nan 0.000 0.467 496 F N 0.819 120.723 119.950 -0.078 0.000 2.678 496 F HA 0.356 4.883 4.527 0.001 0.000 0.305 496 F C 0.729 176.467 175.800 -0.104 0.000 1.090 496 F CA -0.772 57.193 58.000 -0.059 0.000 1.272 496 F CB 0.396 39.374 39.000 -0.036 0.000 1.060 496 F HN -0.238 nan 8.300 nan 0.000 0.576 497 R N 0.879 121.330 120.500 -0.082 0.000 2.560 497 R HA 0.142 4.482 4.340 0.001 0.000 0.270 497 R C -0.092 176.185 176.300 -0.038 0.000 1.074 497 R CA -0.786 55.193 56.100 -0.201 0.000 1.140 497 R CB 0.498 30.453 30.300 -0.575 0.000 1.073 497 R HN -0.027 nan 8.270 nan 0.000 0.527 498 D N 0.000 120.435 120.400 0.059 0.000 6.856 498 D HA 0.000 4.640 4.640 0.001 0.000 0.175 498 D CA 0.000 54.042 54.000 0.070 0.000 0.868 498 D CB 0.000 40.860 40.800 0.100 0.000 0.688 498 D HN 0.000 nan 8.370 nan 0.000 0.683