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 2e9w_1_A DATA FIRST_RESID 33 DATA SEQUENCE EPSPPSIHPG KSDLIVRVGD EIRLLcTDPG FVKWTFEILD ETNENKQNEW DATA SEQUENCE ITEKAEATNT GKYTcTNKHG LSNSIYVFVR DPAKLFLVDR SLYGKEDSDT DATA SEQUENCE LVRcPLTDPE VTSYSLKGcQ GKPLPKDLRF IPDPKAGIMI KSVKRAYHRL DATA SEQUENCE cLHcSVDQEG KSVLSEKFIL KVRPAFKAVP VVSVSKASYL LREGEEFTVT DATA SEQUENCE cTIKDVSSSV YSTWKRENSQ TKLQEKYNSW HHGDFNYERQ ATLTISSARV DATA SEQUENCE NDSGVFMcYA NNTFGSANVT TTLEVVDKGF INIFPMINTT VFVNDGENVD DATA SEQUENCE LIVEYEAFPK PEHQQWIYMN RTFTDKWEDY PKSENESNIR YVSELHLTRL DATA SEQUENCE KGTEGGTYTF LVSNSDVNAA IAFNVYVNTK PEILTYDRLV NGMLQcVAAG DATA SEQUENCE FPEPTIDWYF CPGXXXXCSA SVLPVDVQTL NSSXXXFGKL VVQSSIDSSA DATA SEQUENCE FKHNGTVEcK AYNDVGKTSA YFNFA 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 33 E HA 0.000 nan 4.350 nan 0.000 0.291 33 E C 0.000 176.634 176.600 0.056 0.000 1.382 33 E CA 0.000 56.424 56.400 0.040 0.000 0.976 33 E CB 0.000 29.716 29.700 0.027 0.000 0.812 34 P HA 0.655 nan 4.420 nan 0.000 0.281 34 P C -0.690 176.625 177.300 0.024 0.000 1.252 34 P CA -0.243 62.919 63.100 0.102 0.000 0.778 34 P CB 1.439 33.281 31.700 0.236 0.000 0.895 35 S N 3.295 118.973 115.700 -0.035 0.000 2.548 35 S HA 0.608 5.077 4.470 -0.002 0.000 0.286 35 S C -2.789 171.769 174.600 -0.069 0.000 1.098 35 S CA -1.626 56.552 58.200 -0.036 0.000 0.930 35 S CB 1.602 64.788 63.200 -0.024 0.000 1.070 35 S HN 0.322 nan 8.310 nan 0.000 0.480 36 P HA 0.298 nan 4.420 nan 0.000 0.273 36 P C -2.678 174.592 177.300 -0.049 0.000 1.250 36 P CA -1.155 61.915 63.100 -0.050 0.000 0.793 36 P CB -0.661 31.026 31.700 -0.023 0.000 1.011 37 P HA 0.057 nan 4.420 nan 0.000 0.273 37 P C -0.376 176.913 177.300 -0.018 0.000 1.250 37 P CA 0.040 63.114 63.100 -0.042 0.000 0.793 37 P CB 0.483 32.147 31.700 -0.061 0.000 1.011 38 S N 0.419 116.116 115.700 -0.006 0.000 2.519 38 S HA 0.584 5.054 4.470 -0.002 0.000 0.309 38 S C -0.723 173.909 174.600 0.054 0.000 1.100 38 S CA -0.704 57.510 58.200 0.023 0.000 1.059 38 S CB -0.047 63.163 63.200 0.016 0.000 1.008 38 S HN 0.383 nan 8.310 nan 0.000 0.478 39 I N 3.837 124.467 120.570 0.101 0.000 2.562 39 I HA 0.696 4.865 4.170 -0.002 0.000 0.301 39 I C -1.107 175.131 176.117 0.201 0.000 1.003 39 I CA -0.346 61.060 61.300 0.177 0.000 1.127 39 I CB 1.969 40.126 38.000 0.261 0.000 1.304 39 I HN 0.859 nan 8.210 nan 0.000 0.446 40 H N 6.198 125.317 119.070 0.082 0.000 2.589 40 H HA 0.654 5.210 4.556 -0.001 0.000 0.351 40 H C -2.761 172.581 175.328 0.023 0.000 1.074 40 H CA -2.287 53.785 56.048 0.041 0.000 1.203 40 H CB 1.933 31.713 29.762 0.030 0.000 1.558 40 H HN 0.392 nan 8.280 nan 0.000 0.522 41 P HA 0.093 nan 4.420 nan 0.000 0.265 41 P C 0.496 177.768 177.300 -0.047 0.000 1.193 41 P CA 0.318 63.191 63.100 -0.379 0.000 0.765 41 P CB 0.730 32.255 31.700 -0.293 0.000 0.823 42 G N 3.187 112.034 108.800 0.078 0.000 3.340 42 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.240 42 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.240 42 G C 0.309 175.239 174.900 0.051 0.000 1.327 42 G CA -0.082 45.077 45.100 0.098 0.000 1.170 42 G HN 0.370 nan 8.290 nan 0.000 0.520 43 K N -0.609 119.802 120.400 0.018 0.000 2.109 43 K HA 0.352 4.671 4.320 -0.002 0.000 0.243 43 K C 0.936 177.557 176.600 0.034 0.000 1.006 43 K CA -0.461 55.838 56.287 0.020 0.000 0.917 43 K CB 1.565 34.065 32.500 0.001 0.000 1.081 43 K HN 0.042 nan 8.250 nan 0.000 0.468 44 S N 0.255 115.983 115.700 0.046 0.000 2.503 44 S HA 0.032 4.501 4.470 -0.002 0.000 0.215 44 S C -0.685 173.965 174.600 0.083 0.000 1.003 44 S CA 0.388 58.626 58.200 0.063 0.000 0.910 44 S CB 0.194 63.431 63.200 0.062 0.000 0.790 44 S HN 0.554 nan 8.310 nan 0.000 0.514 45 D N 0.296 120.746 120.400 0.083 0.000 2.990 45 D HA 0.519 5.158 4.640 -0.002 0.000 0.227 45 D C -1.541 174.819 176.300 0.101 0.000 1.249 45 D CA -0.361 53.714 54.000 0.125 0.000 0.891 45 D CB 1.943 42.856 40.800 0.188 0.000 1.647 45 D HN 0.197 nan 8.370 nan 0.000 0.530 46 L N 1.720 122.997 121.223 0.091 0.000 2.381 46 L HA 0.699 5.038 4.340 -0.002 0.000 0.268 46 L C -1.747 175.193 176.870 0.117 0.000 0.997 46 L CA -0.452 54.415 54.840 0.045 0.000 0.818 46 L CB 1.610 43.631 42.059 -0.063 0.000 1.310 46 L HN 0.478 nan 8.230 nan 0.000 0.416 47 I N 4.906 125.529 120.570 0.089 0.000 2.436 47 I HA 0.541 4.710 4.170 -0.002 0.000 0.289 47 I C -0.998 175.142 176.117 0.038 0.000 1.010 47 I CA -0.824 60.543 61.300 0.111 0.000 1.098 47 I CB 1.989 40.033 38.000 0.074 0.000 1.266 47 I HN 0.304 nan 8.210 nan 0.000 0.434 48 V N 6.158 126.098 119.914 0.043 0.000 2.680 48 V HA 0.462 4.581 4.120 -0.002 0.000 0.309 48 V C 0.061 176.164 176.094 0.015 0.000 1.052 48 V CA -0.912 61.392 62.300 0.007 0.000 0.908 48 V CB 2.074 33.885 31.823 -0.020 0.000 1.001 48 V HN 0.647 nan 8.190 nan 0.000 0.431 49 R N 1.967 122.469 120.500 0.002 0.000 2.347 49 R HA 0.372 4.711 4.340 -0.002 0.000 0.304 49 R C -0.111 176.194 176.300 0.008 0.000 1.072 49 R CA -0.359 55.743 56.100 0.004 0.000 0.980 49 R CB 1.450 31.748 30.300 -0.004 0.000 0.986 49 R HN 0.612 nan 8.270 nan 0.000 0.448 50 V N 3.381 123.306 119.914 0.017 0.000 2.975 50 V HA 0.039 4.158 4.120 -0.002 0.000 0.300 50 V C 1.282 177.383 176.094 0.012 0.000 1.186 50 V CA 2.048 64.361 62.300 0.022 0.000 1.311 50 V CB 0.390 32.231 31.823 0.029 0.000 0.917 50 V HN 1.082 nan 8.190 nan 0.000 0.512 51 G N 3.759 112.566 108.800 0.011 0.000 2.195 51 G HA2 -0.190 3.770 3.960 -0.002 0.000 0.246 51 G HA3 -0.190 3.770 3.960 -0.002 0.000 0.246 51 G C -0.025 174.874 174.900 -0.002 0.000 0.984 51 G CA 0.318 45.422 45.100 0.005 0.000 0.633 51 G HN 0.909 nan 8.290 nan 0.000 0.525 52 D N 0.318 120.714 120.400 -0.006 0.000 2.529 52 D HA 0.543 5.182 4.640 -0.002 0.000 0.273 52 D C 0.549 176.836 176.300 -0.022 0.000 1.197 52 D CA -0.408 53.583 54.000 -0.015 0.000 1.070 52 D CB 0.603 41.392 40.800 -0.019 0.000 1.134 52 D HN 0.390 nan 8.370 nan 0.000 0.590 53 E N -0.228 119.954 120.200 -0.031 0.000 2.283 53 E HA 0.496 4.845 4.350 -0.002 0.000 0.267 53 E C -0.492 176.071 176.600 -0.061 0.000 1.045 53 E CA -0.497 55.879 56.400 -0.038 0.000 0.884 53 E CB 1.359 31.037 29.700 -0.037 0.000 1.106 53 E HN 0.229 nan 8.360 nan 0.000 0.408 54 I N 2.870 123.400 120.570 -0.066 0.000 2.476 54 I HA 0.302 4.471 4.170 -0.002 0.000 0.281 54 I C -0.544 175.521 176.117 -0.086 0.000 1.040 54 I CA -0.435 60.788 61.300 -0.128 0.000 1.094 54 I CB 1.237 39.115 38.000 -0.203 0.000 1.219 54 I HN 0.249 nan 8.210 nan 0.000 0.450 55 R N 7.058 127.490 120.500 -0.113 0.000 2.275 55 R HA 0.636 4.975 4.340 -0.002 0.000 0.326 55 R C -1.105 175.121 176.300 -0.125 0.000 0.973 55 R CA -0.707 55.352 56.100 -0.068 0.000 0.854 55 R CB 2.001 32.276 30.300 -0.041 0.000 1.156 55 R HN 0.518 nan 8.270 nan 0.000 0.487 56 L N 4.357 125.489 121.223 -0.152 0.000 2.329 56 L HA 0.557 4.896 4.340 -0.002 0.000 0.279 56 L C -0.766 176.140 176.870 0.061 0.000 1.014 56 L CA -1.102 53.613 54.840 -0.207 0.000 0.814 56 L CB 1.789 43.432 42.059 -0.694 0.000 1.257 56 L HN 0.364 nan 8.230 nan 0.000 0.424 57 L N 3.769 125.122 121.223 0.217 0.000 2.446 57 L HA 0.445 4.784 4.340 -0.002 0.000 0.268 57 L C -0.857 176.192 176.870 0.298 0.000 0.975 57 L CA -0.030 54.981 54.840 0.286 0.000 0.848 57 L CB 1.512 43.673 42.059 0.170 0.000 1.225 57 L HN 0.676 nan 8.230 nan 0.000 0.410 58 c N 3.465 122.222 118.600 0.262 0.000 2.415 58 c HA 0.705 5.274 4.570 -0.002 0.000 0.369 58 c C 0.365 174.387 174.090 -0.113 0.000 1.279 58 c CA 0.031 56.343 56.329 -0.030 0.000 1.886 58 c CB -0.008 42.237 42.510 -0.442 0.000 2.468 58 c HN 0.906 nan 8.230 nan 0.000 0.553 59 T N 4.990 119.518 114.554 -0.043 0.000 2.893 59 T HA 0.449 4.798 4.350 -0.002 0.000 0.324 59 T C -1.181 173.505 174.700 -0.023 0.000 1.082 59 T CA -0.077 62.001 62.100 -0.037 0.000 0.983 59 T CB 0.528 69.386 68.868 -0.017 0.000 1.005 59 T HN 0.845 nan 8.240 nan 0.000 0.475 60 D N 2.902 123.297 120.400 -0.007 0.000 2.878 60 D HA 0.357 4.996 4.640 -0.002 0.000 0.211 60 D C -1.963 174.355 176.300 0.030 0.000 1.271 60 D CA -1.390 52.612 54.000 0.004 0.000 0.845 60 D CB 1.851 42.651 40.800 -0.001 0.000 1.679 60 D HN 0.044 nan 8.370 nan 0.000 0.536 61 P HA 0.023 nan 4.420 nan 0.000 0.217 61 P C 0.863 178.181 177.300 0.029 0.000 1.151 61 P CA 1.002 64.112 63.100 0.017 0.000 0.849 61 P CB 0.280 31.981 31.700 0.002 0.000 0.787 62 G N -1.705 107.093 108.800 -0.004 0.000 3.959 62 G HA2 0.144 4.103 3.960 -0.002 0.000 0.298 62 G HA3 0.144 4.103 3.960 -0.002 0.000 0.298 62 G C -0.338 174.555 174.900 -0.012 0.000 1.211 62 G CA -0.461 44.632 45.100 -0.011 0.000 1.001 62 G HN 0.082 nan 8.290 nan 0.000 0.561 63 F N 0.913 120.815 119.950 -0.079 0.000 2.628 63 F HA 0.229 4.755 4.527 -0.002 0.000 0.362 63 F C 0.771 176.525 175.800 -0.076 0.000 1.148 63 F CA 0.459 58.397 58.000 -0.105 0.000 1.352 63 F CB 1.286 40.227 39.000 -0.097 0.000 1.081 63 F HN -0.066 nan 8.300 nan 0.000 0.605 64 V N 3.233 122.368 119.914 -1.297 0.000 3.229 64 V HA 0.184 4.303 4.120 -0.002 0.000 0.239 64 V C -0.481 174.930 176.094 -1.139 0.000 1.390 64 V CA 0.624 62.360 62.300 -0.940 0.000 1.231 64 V CB -0.035 31.519 31.823 -0.448 0.000 1.025 64 V HN 0.870 nan 8.190 nan 0.000 0.461 65 K N -1.439 118.133 120.400 -1.380 0.000 2.818 65 K HA 0.182 4.501 4.320 -0.002 0.000 0.287 65 K C -2.318 174.300 176.600 0.030 0.000 1.061 65 K CA -0.761 55.244 56.287 -0.469 0.000 0.858 65 K CB 0.457 32.866 32.500 -0.151 0.000 1.456 65 K HN 0.016 nan 8.250 nan 0.000 0.364 66 W N 1.367 122.917 121.300 0.418 0.000 2.496 66 W HA 0.476 5.136 4.660 -0.002 0.000 0.327 66 W C -0.568 176.136 176.519 0.309 0.000 1.086 66 W CA -0.482 57.123 57.345 0.433 0.000 1.222 66 W CB 2.471 32.339 29.460 0.680 0.000 1.304 66 W HN 0.487 nan 8.180 nan 0.000 0.547 67 T N 4.336 119.227 114.554 0.561 0.000 3.008 67 T HA 0.184 4.533 4.350 -0.002 0.000 0.328 67 T C -1.172 173.610 174.700 0.138 0.000 1.020 67 T CA -0.527 61.749 62.100 0.294 0.000 1.043 67 T CB 0.166 69.124 68.868 0.151 0.000 1.010 67 T HN 0.163 nan 8.240 nan 0.000 0.466 68 F N 3.573 123.441 119.950 -0.137 0.000 2.375 68 F HA 0.648 5.174 4.527 -0.002 0.000 0.333 68 F C 0.141 175.760 175.800 -0.302 0.000 1.104 68 F CA -1.197 56.475 58.000 -0.546 0.000 1.149 68 F CB 0.780 39.341 39.000 -0.730 0.000 1.190 68 F HN 0.667 nan 8.300 nan 0.000 0.533 69 E N 5.472 124.939 120.200 -1.222 0.000 2.481 69 E HA 0.334 4.683 4.350 -0.002 0.000 0.301 69 E C -1.278 174.810 176.600 -0.853 0.000 0.948 69 E CA -0.546 55.296 56.400 -0.929 0.000 0.804 69 E CB 0.914 30.372 29.700 -0.404 0.000 1.265 69 E HN 0.612 nan 8.360 nan 0.000 0.406 70 I N 1.283 121.442 120.570 -0.685 0.000 4.049 70 I HA 0.178 4.347 4.170 -0.002 0.000 0.237 70 I C 1.514 177.557 176.117 -0.124 0.000 1.076 70 I CA -0.415 60.689 61.300 -0.326 0.000 1.610 70 I CB -0.021 37.867 38.000 -0.188 0.000 1.544 70 I HN 0.380 nan 8.210 nan 0.000 0.458 71 L N -0.213 120.962 121.223 -0.081 0.000 2.379 71 L HA 0.190 4.529 4.340 -0.002 0.000 0.190 71 L C 1.325 178.179 176.870 -0.028 0.000 1.111 71 L CA 1.101 55.938 54.840 -0.006 0.000 0.820 71 L CB 0.145 42.231 42.059 0.044 0.000 1.046 71 L HN 0.199 nan 8.230 nan 0.000 0.485 72 D N -1.838 118.537 120.400 -0.041 0.000 2.434 72 D HA 0.072 4.711 4.640 -0.002 0.000 0.288 72 D C 0.291 176.546 176.300 -0.074 0.000 1.083 72 D CA -0.029 53.947 54.000 -0.039 0.000 0.903 72 D CB 0.469 41.265 40.800 -0.006 0.000 1.476 72 D HN 0.111 nan 8.370 nan 0.000 0.502 73 E N 0.690 120.837 120.200 -0.087 0.000 2.485 73 E HA 0.152 4.501 4.350 -0.002 0.000 0.266 73 E C -0.048 176.435 176.600 -0.194 0.000 1.090 73 E CA 0.861 57.197 56.400 -0.107 0.000 0.987 73 E CB 0.552 30.192 29.700 -0.099 0.000 0.974 73 E HN -0.111 nan 8.360 nan 0.000 0.455 74 T N 2.021 116.491 114.554 -0.141 0.000 3.767 74 T HA 0.276 4.625 4.350 -0.002 0.000 0.360 74 T C -1.651 173.041 174.700 -0.013 0.000 1.181 74 T CA -0.797 61.217 62.100 -0.145 0.000 1.110 74 T CB 0.449 69.258 68.868 -0.099 0.000 1.201 74 T HN 0.396 nan 8.240 nan 0.000 0.474 75 N N 2.491 121.232 118.700 0.067 0.000 2.381 75 N HA 0.719 5.458 4.740 -0.002 0.000 0.294 75 N C -0.970 174.688 175.510 0.248 0.000 1.216 75 N CA -0.780 52.389 53.050 0.198 0.000 0.803 75 N CB 1.725 40.426 38.487 0.357 0.000 1.372 75 N HN 0.622 nan 8.380 nan 0.000 0.500 76 E N -0.024 120.321 120.200 0.241 0.000 2.359 76 E HA 0.530 4.879 4.350 -0.002 0.000 0.266 76 E C -1.224 175.561 176.600 0.309 0.000 0.920 76 E CA -0.807 55.755 56.400 0.271 0.000 0.788 76 E CB 2.504 32.298 29.700 0.157 0.000 1.279 76 E HN 0.451 nan 8.360 nan 0.000 0.438 77 N N 0.641 119.576 118.700 0.392 0.000 2.554 77 N HA 0.145 4.884 4.740 -0.002 0.000 0.271 77 N C -2.059 173.724 175.510 0.455 0.000 1.081 77 N CA -0.416 52.856 53.050 0.371 0.000 0.994 77 N CB 1.124 39.862 38.487 0.419 0.000 1.641 77 N HN 0.194 nan 8.380 nan 0.000 0.511 78 K N 2.601 123.197 120.400 0.326 0.000 2.291 78 K HA 0.409 4.728 4.320 -0.002 0.000 0.242 78 K C -0.983 175.902 176.600 0.476 0.000 1.098 78 K CA -0.472 56.038 56.287 0.371 0.000 1.036 78 K CB 0.686 33.292 32.500 0.177 0.000 1.655 78 K HN 0.345 nan 8.250 nan 0.000 0.432 79 Q N 1.470 121.663 119.800 0.655 0.000 2.443 79 Q HA 0.051 4.390 4.340 -0.002 0.000 0.241 79 Q C -0.118 175.849 176.000 -0.055 0.000 0.880 79 Q CA -0.396 55.572 55.803 0.275 0.000 0.974 79 Q CB 1.097 29.962 28.738 0.212 0.000 1.482 79 Q HN 0.489 nan 8.270 nan 0.000 0.448 80 N N 1.066 119.465 118.700 -0.502 0.000 2.192 80 N HA -0.203 4.536 4.740 -0.002 0.000 0.188 80 N C 0.325 175.857 175.510 0.036 0.000 1.013 80 N CA 1.086 53.744 53.050 -0.654 0.000 0.863 80 N CB 0.461 38.694 38.487 -0.424 0.000 0.990 80 N HN 0.588 nan 8.380 nan 0.000 0.430 81 E N -0.055 120.206 120.200 0.102 0.000 2.109 81 E HA 0.061 4.410 4.350 -0.002 0.000 0.278 81 E C -1.182 175.521 176.600 0.172 0.000 0.954 81 E CA -0.811 55.684 56.400 0.159 0.000 0.779 81 E CB 0.836 30.575 29.700 0.065 0.000 1.093 81 E HN 0.202 nan 8.360 nan 0.000 0.401 82 W N 7.820 129.053 121.300 -0.111 0.000 2.391 82 W HA 0.469 5.129 4.660 -0.002 0.000 0.311 82 W C -1.535 174.841 176.519 -0.238 0.000 1.087 82 W CA -1.058 56.115 57.345 -0.285 0.000 1.209 82 W CB 0.472 29.454 29.460 -0.796 0.000 1.273 82 W HN 0.505 nan 8.180 nan 0.000 0.482 83 I N 3.298 123.730 120.570 -0.229 0.000 2.607 83 I HA 0.574 4.743 4.170 -0.002 0.000 0.290 83 I C -0.620 175.380 176.117 -0.196 0.000 1.129 83 I CA -0.620 60.627 61.300 -0.088 0.000 1.042 83 I CB 2.019 39.978 38.000 -0.069 0.000 1.242 83 I HN 0.267 nan 8.210 nan 0.000 0.421 84 T N 0.570 115.094 114.554 -0.051 0.000 2.815 84 T HA 0.513 4.862 4.350 -0.002 0.000 0.289 84 T C 0.331 175.010 174.700 -0.035 0.000 1.000 84 T CA -0.595 61.475 62.100 -0.049 0.000 0.958 84 T CB 1.757 70.657 68.868 0.053 0.000 0.944 84 T HN 0.763 nan 8.240 nan 0.000 0.442 85 E N 2.164 122.338 120.200 -0.045 0.000 2.015 85 E HA -0.031 4.318 4.350 -0.002 0.000 0.191 85 E C 0.292 176.879 176.600 -0.022 0.000 0.991 85 E CA 0.879 57.259 56.400 -0.033 0.000 0.802 85 E CB 0.168 29.848 29.700 -0.034 0.000 0.759 85 E HN 0.563 nan 8.360 nan 0.000 0.447 86 K N 0.857 121.248 120.400 -0.015 0.000 2.389 86 K HA 0.435 4.754 4.320 -0.002 0.000 0.261 86 K C -0.760 175.841 176.600 0.001 0.000 1.014 86 K CA -0.557 55.726 56.287 -0.007 0.000 0.920 86 K CB 1.886 34.384 32.500 -0.003 0.000 1.149 86 K HN 0.035 nan 8.250 nan 0.000 0.444 87 A N 3.440 126.261 122.820 0.002 0.000 2.409 87 A HA 0.179 4.498 4.320 -0.002 0.000 0.246 87 A C -0.278 177.323 177.584 0.029 0.000 1.099 87 A CA 0.196 52.241 52.037 0.013 0.000 0.789 87 A CB 0.343 19.346 19.000 0.004 0.000 1.053 87 A HN 0.758 nan 8.150 nan 0.000 0.503 88 E N -1.280 118.947 120.200 0.046 0.000 2.354 88 E HA 0.402 4.751 4.350 -0.002 0.000 0.283 88 E C 0.213 176.866 176.600 0.088 0.000 0.938 88 E CA -0.222 56.215 56.400 0.062 0.000 0.777 88 E CB 1.794 31.532 29.700 0.064 0.000 1.222 88 E HN 0.744 nan 8.360 nan 0.000 0.423 89 A N 1.395 124.272 122.820 0.094 0.000 2.204 89 A HA -0.180 4.139 4.320 -0.002 0.000 0.220 89 A C 1.626 179.302 177.584 0.154 0.000 1.165 89 A CA 2.083 54.193 52.037 0.123 0.000 0.671 89 A CB -0.830 18.239 19.000 0.115 0.000 0.792 89 A HN 0.576 nan 8.150 nan 0.000 0.473 90 T N -3.348 111.293 114.554 0.145 0.000 3.272 90 T HA 0.175 4.524 4.350 -0.002 0.000 0.250 90 T C 0.655 175.496 174.700 0.234 0.000 1.082 90 T CA 0.648 62.854 62.100 0.177 0.000 0.968 90 T CB -0.352 68.603 68.868 0.145 0.000 1.015 90 T HN 0.518 nan 8.240 nan 0.000 0.563 91 N N 0.158 118.979 118.700 0.202 0.000 2.171 91 N HA 0.115 4.854 4.740 -0.002 0.000 0.212 91 N C -0.331 175.320 175.510 0.235 0.000 1.184 91 N CA -0.077 53.065 53.050 0.152 0.000 0.888 91 N CB 0.680 39.193 38.487 0.043 0.000 1.038 91 N HN 0.156 nan 8.380 nan 0.000 0.517 92 T N 0.808 115.524 114.554 0.271 0.000 2.793 92 T HA 0.449 4.798 4.350 -0.002 0.000 0.289 92 T C 0.549 175.452 174.700 0.339 0.000 0.956 92 T CA 0.301 62.578 62.100 0.295 0.000 1.177 92 T CB 0.458 69.514 68.868 0.312 0.000 0.897 92 T HN 0.359 nan 8.240 nan 0.000 0.533 93 G N 2.466 111.390 108.800 0.206 0.000 2.500 93 G HA2 0.513 4.472 3.960 -0.002 0.000 0.299 93 G HA3 0.513 4.472 3.960 -0.002 0.000 0.299 93 G C -1.643 172.731 174.900 -0.877 0.000 1.242 93 G CA -0.796 44.228 45.100 -0.128 0.000 0.859 93 G HN 0.590 nan 8.290 nan 0.000 0.481 94 K N 0.386 120.425 120.400 -0.602 0.000 2.483 94 K HA 0.564 4.883 4.320 -0.002 0.000 0.256 94 K C -1.627 174.853 176.600 -0.200 0.000 0.961 94 K CA -0.618 55.377 56.287 -0.486 0.000 0.873 94 K CB 1.021 33.275 32.500 -0.411 0.000 1.107 94 K HN 0.476 nan 8.250 nan 0.000 0.432 95 Y N 2.102 122.269 120.300 -0.221 0.000 2.326 95 Y HA 0.239 4.788 4.550 -0.002 0.000 0.337 95 Y C 0.141 176.105 175.900 0.107 0.000 1.023 95 Y CA -0.488 57.486 58.100 -0.210 0.000 1.143 95 Y CB 1.952 39.988 38.460 -0.707 0.000 1.183 95 Y HN 0.398 nan 8.280 nan 0.000 0.485 96 T N 2.876 117.663 114.554 0.389 0.000 2.824 96 T HA 0.290 4.639 4.350 -0.002 0.000 0.282 96 T C -1.125 173.738 174.700 0.272 0.000 0.993 96 T CA -0.607 61.691 62.100 0.331 0.000 0.967 96 T CB 1.135 70.082 68.868 0.133 0.000 0.960 96 T HN 0.717 nan 8.240 nan 0.000 0.441 97 c N 4.596 123.164 118.600 -0.053 0.000 2.303 97 c HA 0.817 5.386 4.570 -0.002 0.000 0.326 97 c C 0.356 174.337 174.090 -0.181 0.000 1.285 97 c CA -0.275 55.794 56.329 -0.434 0.000 1.675 97 c CB -0.840 41.214 42.510 -0.761 0.000 2.289 97 c HN 1.034 nan 8.230 nan 0.000 0.512 98 T N 3.555 118.005 114.554 -0.173 0.000 2.824 98 T HA 0.386 4.735 4.350 -0.002 0.000 0.282 98 T C -0.199 174.403 174.700 -0.165 0.000 0.993 98 T CA -0.616 61.406 62.100 -0.131 0.000 0.967 98 T CB 1.089 69.895 68.868 -0.102 0.000 0.960 98 T HN 0.756 nan 8.240 nan 0.000 0.441 99 N N 1.177 119.803 118.700 -0.123 0.000 2.288 99 N HA 0.119 4.858 4.740 -0.002 0.000 0.237 99 N C 0.995 176.437 175.510 -0.114 0.000 1.311 99 N CA -0.360 52.608 53.050 -0.136 0.000 0.909 99 N CB 0.902 39.286 38.487 -0.173 0.000 1.167 99 N HN 0.776 nan 8.380 nan 0.000 0.476 100 K N -0.127 120.219 120.400 -0.090 0.000 2.432 100 K HA 0.004 4.323 4.320 -0.002 0.000 0.196 100 K C 0.764 177.472 176.600 0.180 0.000 1.038 100 K CA 0.763 57.064 56.287 0.024 0.000 0.986 100 K CB 0.045 32.587 32.500 0.069 0.000 0.782 100 K HN 0.558 nan 8.250 nan 0.000 0.485 101 H N -1.823 117.223 119.070 -0.041 0.000 2.551 101 H HA 0.146 4.701 4.556 -0.002 0.000 0.271 101 H C 0.675 175.985 175.328 -0.031 0.000 0.984 101 H CA 0.060 56.090 56.048 -0.030 0.000 1.164 101 H CB 0.906 30.656 29.762 -0.021 0.000 1.437 101 H HN 0.406 nan 8.280 nan 0.000 0.550 102 G N 1.179 110.019 108.800 0.067 0.000 2.131 102 G HA2 -0.225 3.734 3.960 -0.002 0.000 0.223 102 G HA3 -0.225 3.734 3.960 -0.002 0.000 0.223 102 G C 0.032 174.934 174.900 0.004 0.000 0.990 102 G CA -0.277 44.835 45.100 0.019 0.000 0.671 102 G HN 0.165 nan 8.290 nan 0.000 0.521 103 L N 0.670 121.885 121.223 -0.013 0.000 2.439 103 L HA 0.784 5.123 4.340 -0.002 0.000 0.259 103 L C 0.917 177.762 176.870 -0.041 0.000 1.129 103 L CA 0.148 54.973 54.840 -0.026 0.000 0.803 103 L CB 1.568 43.599 42.059 -0.046 0.000 1.161 103 L HN 0.639 nan 8.230 nan 0.000 0.462 104 S N 0.032 115.715 115.700 -0.029 0.000 2.587 104 S HA 0.481 4.950 4.470 -0.002 0.000 0.269 104 S C -1.173 173.422 174.600 -0.008 0.000 1.154 104 S CA -1.013 57.169 58.200 -0.030 0.000 0.824 104 S CB 2.381 65.568 63.200 -0.022 0.000 1.118 104 S HN 0.753 nan 8.310 nan 0.000 0.462 105 N N -0.727 117.973 118.700 0.000 0.000 3.157 105 N HA 0.827 5.566 4.740 -0.002 0.000 0.291 105 N C -2.049 173.505 175.510 0.074 0.000 1.515 105 N CA -0.599 52.471 53.050 0.033 0.000 0.807 105 N CB 2.081 40.587 38.487 0.032 0.000 1.672 105 N HN 1.104 nan 8.380 nan 0.000 0.592 106 S N 0.556 116.320 115.700 0.107 0.000 2.697 106 S HA 0.248 4.717 4.470 -0.002 0.000 0.313 106 S C -1.290 173.383 174.600 0.121 0.000 0.954 106 S CA -0.992 57.302 58.200 0.155 0.000 0.831 106 S CB 0.278 63.553 63.200 0.124 0.000 1.030 106 S HN 0.526 nan 8.310 nan 0.000 0.466 107 I N 0.256 120.893 120.570 0.112 0.000 2.562 107 I HA 0.691 4.860 4.170 -0.002 0.000 0.301 107 I C -1.108 175.025 176.117 0.026 0.000 1.003 107 I CA -1.078 60.256 61.300 0.057 0.000 1.127 107 I CB 0.970 38.971 38.000 0.003 0.000 1.304 107 I HN 0.887 nan 8.210 nan 0.000 0.446 108 Y N 4.964 125.229 120.300 -0.058 0.000 2.327 108 Y HA 0.564 5.113 4.550 -0.002 0.000 0.336 108 Y C -0.430 175.330 175.900 -0.234 0.000 1.035 108 Y CA -0.547 57.467 58.100 -0.143 0.000 1.165 108 Y CB 1.302 39.613 38.460 -0.249 0.000 1.181 108 Y HN 0.445 nan 8.280 nan 0.000 0.494 109 V N 6.702 126.595 119.914 -0.036 0.000 2.483 109 V HA 0.374 4.493 4.120 -0.002 0.000 0.295 109 V C -0.842 175.276 176.094 0.040 0.000 1.035 109 V CA -0.983 61.287 62.300 -0.051 0.000 0.896 109 V CB 1.119 32.776 31.823 -0.277 0.000 0.986 109 V HN 0.522 nan 8.190 nan 0.000 0.447 110 F N 2.840 122.883 119.950 0.155 0.000 2.426 110 F HA 0.552 5.078 4.527 -0.002 0.000 0.348 110 F C 0.083 175.911 175.800 0.047 0.000 1.124 110 F CA -0.738 57.330 58.000 0.113 0.000 1.008 110 F CB 2.006 41.020 39.000 0.022 0.000 1.139 110 F HN 0.283 nan 8.300 nan 0.000 0.452 111 V N 6.659 126.723 119.914 0.250 0.000 2.257 111 V HA 0.376 4.495 4.120 -0.002 0.000 0.269 111 V C -0.108 176.050 176.094 0.106 0.000 1.040 111 V CA -0.745 61.635 62.300 0.133 0.000 0.813 111 V CB 0.139 32.018 31.823 0.093 0.000 1.065 111 V HN 0.739 nan 8.190 nan 0.000 0.457 112 R N 3.271 123.812 120.500 0.069 0.000 2.421 112 R HA 0.361 4.700 4.340 -0.002 0.000 0.305 112 R C -0.684 175.628 176.300 0.020 0.000 1.039 112 R CA 0.048 56.162 56.100 0.023 0.000 1.003 112 R CB 0.581 30.869 30.300 -0.020 0.000 0.959 112 R HN 0.595 nan 8.270 nan 0.000 0.427 113 D N 4.574 124.987 120.400 0.023 0.000 2.757 113 D HA 0.247 4.886 4.640 -0.002 0.000 0.249 113 D C -1.785 174.525 176.300 0.017 0.000 1.168 113 D CA -2.693 51.323 54.000 0.026 0.000 0.870 113 D CB 2.116 42.944 40.800 0.045 0.000 1.411 113 D HN 0.404 nan 8.370 nan 0.000 0.525 114 P HA -0.100 nan 4.420 nan 0.000 0.217 114 P C 1.070 178.387 177.300 0.027 0.000 1.150 114 P CA 0.891 63.997 63.100 0.009 0.000 0.832 114 P CB 0.327 32.032 31.700 0.008 0.000 0.787 115 A N 1.174 124.017 122.820 0.038 0.000 1.835 115 A HA -0.117 4.202 4.320 -0.002 0.000 0.215 115 A C 1.510 179.141 177.584 0.078 0.000 1.199 115 A CA 1.226 53.296 52.037 0.054 0.000 0.615 115 A CB -0.995 18.036 19.000 0.050 0.000 0.838 115 A HN 0.139 nan 8.150 nan 0.000 0.444 116 K N -0.081 120.369 120.400 0.082 0.000 2.262 116 K HA 0.499 4.818 4.320 -0.002 0.000 0.282 116 K C -0.121 176.530 176.600 0.086 0.000 1.066 116 K CA 0.364 56.721 56.287 0.116 0.000 0.901 116 K CB 1.119 33.691 32.500 0.121 0.000 1.089 116 K HN 0.310 nan 8.250 nan 0.000 0.476 117 L N 3.555 124.831 121.223 0.089 0.000 3.069 117 L HA 0.466 4.806 4.340 -0.002 0.000 0.271 117 L C -0.412 176.284 176.870 -0.290 0.000 1.201 117 L CA -0.000 54.767 54.840 -0.120 0.000 1.015 117 L CB -0.469 41.471 42.059 -0.198 0.000 1.371 117 L HN 0.532 nan 8.230 nan 0.000 0.574 118 F N -1.205 118.816 119.950 0.119 0.000 2.631 118 F HA 0.810 5.336 4.527 -0.001 0.000 0.308 118 F C -0.555 175.338 175.800 0.155 0.000 1.097 118 F CA -1.205 56.889 58.000 0.157 0.000 0.952 118 F CB 2.144 41.254 39.000 0.183 0.000 1.307 118 F HN -0.158 nan 8.300 nan 0.000 0.450 119 L N 3.415 124.882 121.223 0.407 0.000 2.410 119 L HA 0.873 5.213 4.340 -0.002 0.000 0.270 119 L C -1.063 175.984 176.870 0.296 0.000 0.983 119 L CA -1.081 53.928 54.840 0.282 0.000 0.822 119 L CB 2.094 44.293 42.059 0.233 0.000 1.285 119 L HN 0.526 nan 8.230 nan 0.000 0.409 120 V N -0.849 119.199 119.914 0.223 0.000 3.130 120 V HA 0.659 4.778 4.120 -0.002 0.000 0.310 120 V C -1.557 174.618 176.094 0.136 0.000 1.158 120 V CA -0.647 61.803 62.300 0.250 0.000 1.029 120 V CB 2.510 34.477 31.823 0.240 0.000 1.057 120 V HN 0.756 nan 8.190 nan 0.000 0.436 121 D N 1.663 122.176 120.400 0.188 0.000 2.404 121 D HA 0.333 4.972 4.640 -0.002 0.000 0.267 121 D C 1.288 177.628 176.300 0.065 0.000 1.194 121 D CA -0.523 53.541 54.000 0.107 0.000 0.910 121 D CB 1.049 41.932 40.800 0.140 0.000 1.090 121 D HN 0.693 nan 8.370 nan 0.000 0.511 122 R N 1.427 121.804 120.500 -0.205 0.000 2.417 122 R HA -0.063 4.276 4.340 -0.002 0.000 0.220 122 R C 0.547 176.759 176.300 -0.147 0.000 1.128 122 R CA 0.107 55.940 56.100 -0.446 0.000 1.048 122 R CB -0.664 29.361 30.300 -0.457 0.000 0.835 122 R HN 0.228 nan 8.270 nan 0.000 0.483 123 S N 0.810 116.515 115.700 0.007 0.000 2.545 123 S HA 0.440 4.910 4.470 -0.002 0.000 0.275 123 S C -0.467 174.170 174.600 0.062 0.000 1.299 123 S CA -0.716 57.520 58.200 0.061 0.000 1.048 123 S CB 0.718 64.020 63.200 0.169 0.000 0.938 123 S HN 0.409 nan 8.310 nan 0.000 0.496 124 L N 5.307 126.434 121.223 -0.161 0.000 2.753 124 L HA 0.453 4.792 4.340 -0.002 0.000 0.259 124 L C -2.176 174.442 176.870 -0.421 0.000 0.958 124 L CA -0.530 54.238 54.840 -0.120 0.000 0.955 124 L CB 0.742 42.815 42.059 0.023 0.000 1.317 124 L HN 0.801 nan 8.230 nan 0.000 0.436 125 Y N 2.536 122.866 120.300 0.051 0.000 2.562 125 Y HA 0.916 5.466 4.550 -0.002 0.000 0.343 125 Y C 0.604 176.516 175.900 0.019 0.000 1.025 125 Y CA -0.586 57.535 58.100 0.035 0.000 1.082 125 Y CB 2.576 41.051 38.460 0.024 0.000 1.264 125 Y HN 0.509 nan 8.280 nan 0.000 0.478 126 G N 1.417 110.302 108.800 0.142 0.000 2.703 126 G HA2 0.477 4.437 3.960 -0.002 0.000 0.294 126 G HA3 0.477 4.437 3.960 -0.002 0.000 0.294 126 G C -2.066 172.859 174.900 0.042 0.000 1.451 126 G CA -1.066 44.074 45.100 0.066 0.000 0.869 126 G HN 0.428 nan 8.290 nan 0.000 0.516 127 K N 0.304 120.715 120.400 0.017 0.000 2.098 127 K HA 0.436 4.755 4.320 -0.002 0.000 0.244 127 K C 0.438 177.016 176.600 -0.038 0.000 1.014 127 K CA -0.505 55.782 56.287 -0.000 0.000 0.917 127 K CB 1.016 33.520 32.500 0.007 0.000 1.072 127 K HN 0.491 nan 8.250 nan 0.000 0.477 128 E N 0.898 121.065 120.200 -0.055 0.000 2.373 128 E HA -0.036 4.313 4.350 -0.002 0.000 0.267 128 E C -0.524 176.034 176.600 -0.070 0.000 1.032 128 E CA 0.338 56.682 56.400 -0.093 0.000 0.889 128 E CB 0.416 30.038 29.700 -0.130 0.000 0.984 128 E HN 0.675 nan 8.360 nan 0.000 0.425 129 D N 0.370 120.717 120.400 -0.088 0.000 2.462 129 D HA -0.214 4.425 4.640 -0.002 0.000 0.172 129 D C 0.042 176.309 176.300 -0.055 0.000 1.218 129 D CA 1.699 55.660 54.000 -0.065 0.000 1.131 129 D CB -1.336 39.443 40.800 -0.036 0.000 1.155 129 D HN 0.478 nan 8.370 nan 0.000 0.443 130 S N 0.537 116.207 115.700 -0.049 0.000 2.632 130 S HA 0.472 4.941 4.470 -0.002 0.000 0.271 130 S C 0.043 174.616 174.600 -0.045 0.000 1.260 130 S CA -0.797 57.383 58.200 -0.033 0.000 1.010 130 S CB 2.372 65.563 63.200 -0.015 0.000 0.965 130 S HN -0.030 nan 8.310 nan 0.000 0.534 131 D N 0.936 121.319 120.400 -0.029 0.000 2.369 131 D HA 0.552 5.191 4.640 -0.002 0.000 0.241 131 D C -0.259 176.028 176.300 -0.021 0.000 1.271 131 D CA 0.437 54.421 54.000 -0.027 0.000 0.942 131 D CB 0.581 41.377 40.800 -0.007 0.000 1.129 131 D HN 0.657 nan 8.370 nan 0.000 0.476 132 T N 0.656 115.199 114.554 -0.019 0.000 3.097 132 T HA 0.226 4.575 4.350 -0.002 0.000 0.332 132 T C -1.225 173.464 174.700 -0.019 0.000 1.269 132 T CA -0.712 61.380 62.100 -0.012 0.000 1.076 132 T CB 1.182 70.038 68.868 -0.020 0.000 1.209 132 T HN 0.161 nan 8.240 nan 0.000 0.474 133 L N 4.243 125.461 121.223 -0.008 0.000 2.275 133 L HA 0.639 4.978 4.340 -0.002 0.000 0.288 133 L C -0.669 176.156 176.870 -0.074 0.000 1.046 133 L CA -0.528 54.295 54.840 -0.028 0.000 0.805 133 L CB 1.146 43.210 42.059 0.008 0.000 1.193 133 L HN 0.482 nan 8.230 nan 0.000 0.426 134 V N 6.789 126.593 119.914 -0.184 0.000 2.372 134 V HA 0.261 4.380 4.120 -0.002 0.000 0.261 134 V C 0.861 176.743 176.094 -0.354 0.000 1.055 134 V CA -0.712 61.345 62.300 -0.405 0.000 0.930 134 V CB 0.219 31.669 31.823 -0.622 0.000 1.031 134 V HN 0.660 nan 8.190 nan 0.000 0.479 135 R N 3.965 124.384 120.500 -0.134 0.000 3.955 135 R HA 0.058 4.397 4.340 -0.002 0.000 0.170 135 R C 0.128 176.546 176.300 0.197 0.000 1.821 135 R CA 0.019 56.176 56.100 0.095 0.000 1.329 135 R CB -1.021 29.411 30.300 0.221 0.000 1.345 135 R HN 0.829 nan 8.270 nan 0.000 0.763 136 c N -0.798 117.862 118.600 0.100 0.000 3.465 136 c HA 0.385 4.954 4.570 -0.002 0.000 0.193 136 c C -2.315 172.047 174.090 0.452 0.000 1.515 136 c CA -2.705 53.804 56.329 0.299 0.000 1.340 136 c CB 0.684 43.287 42.510 0.155 0.000 1.928 136 c HN 0.349 nan 8.230 nan 0.000 0.510 137 P HA 0.213 nan 4.420 nan 0.000 0.269 137 P C -0.259 177.198 177.300 0.261 0.000 1.209 137 P CA 0.476 63.755 63.100 0.299 0.000 0.776 137 P CB 1.236 33.082 31.700 0.243 0.000 0.876 138 L N 2.016 123.284 121.223 0.075 0.000 2.418 138 L HA 0.221 4.560 4.340 -0.002 0.000 0.265 138 L C 1.825 178.745 176.870 0.085 0.000 1.143 138 L CA -0.220 54.569 54.840 -0.084 0.000 0.809 138 L CB 0.011 41.826 42.059 -0.406 0.000 1.124 138 L HN 0.353 nan 8.230 nan 0.000 0.456 139 T N -1.746 112.809 114.554 0.002 0.000 3.031 139 T HA -0.005 4.344 4.350 -0.002 0.000 0.254 139 T C 0.152 174.875 174.700 0.037 0.000 1.060 139 T CA 0.510 62.680 62.100 0.117 0.000 1.135 139 T CB 0.030 68.941 68.868 0.072 0.000 0.896 139 T HN 0.517 nan 8.240 nan 0.000 0.472 140 D N 1.471 121.757 120.400 -0.190 0.000 2.471 140 D HA 0.221 4.860 4.640 -0.002 0.000 0.245 140 D C -1.897 174.078 176.300 -0.541 0.000 1.116 140 D CA -2.238 51.568 54.000 -0.324 0.000 0.853 140 D CB 2.417 43.086 40.800 -0.218 0.000 1.123 140 D HN -0.020 nan 8.370 nan 0.000 0.540 141 P HA -0.044 nan 4.420 nan 0.000 0.223 141 P C -0.148 176.858 177.300 -0.490 0.000 1.151 141 P CA 0.513 63.073 63.100 -0.901 0.000 0.787 141 P CB 0.540 31.403 31.700 -1.395 0.000 0.788 142 E N 0.517 120.490 120.200 -0.379 0.000 1.932 142 E HA 0.354 4.703 4.350 -0.002 0.000 0.259 142 E C -0.750 175.736 176.600 -0.190 0.000 1.099 142 E CA -0.317 55.942 56.400 -0.235 0.000 0.970 142 E CB 0.628 30.219 29.700 -0.181 0.000 1.143 142 E HN -0.017 nan 8.360 nan 0.000 0.441 143 V N 1.571 121.378 119.914 -0.178 0.000 2.888 143 V HA 0.060 4.179 4.120 -0.002 0.000 0.309 143 V C 1.031 177.083 176.094 -0.070 0.000 1.114 143 V CA -0.577 61.647 62.300 -0.127 0.000 0.940 143 V CB 2.251 33.978 31.823 -0.160 0.000 1.021 143 V HN 0.558 nan 8.190 nan 0.000 0.426 144 T N 1.624 116.159 114.554 -0.031 0.000 2.614 144 T HA -0.086 4.263 4.350 -0.002 0.000 0.263 144 T C 0.761 175.485 174.700 0.040 0.000 1.055 144 T CA 1.896 63.996 62.100 0.001 0.000 1.162 144 T CB -0.097 68.775 68.868 0.007 0.000 0.863 144 T HN 0.864 nan 8.240 nan 0.000 0.414 145 S N 0.792 116.536 115.700 0.073 0.000 2.718 145 S HA 0.436 4.905 4.470 -0.002 0.000 0.294 145 S C -1.161 173.567 174.600 0.213 0.000 1.157 145 S CA -0.985 57.290 58.200 0.125 0.000 1.121 145 S CB 0.353 63.615 63.200 0.103 0.000 1.015 145 S HN 0.267 nan 8.310 nan 0.000 0.479 146 Y N 4.282 124.624 120.300 0.070 0.000 2.436 146 Y HA 0.553 5.102 4.550 -0.001 0.000 0.343 146 Y C 0.171 176.167 175.900 0.159 0.000 1.008 146 Y CA -0.369 57.790 58.100 0.098 0.000 1.241 146 Y CB 0.346 38.848 38.460 0.069 0.000 1.153 146 Y HN 0.960 nan 8.280 nan 0.000 0.521 147 S N 5.083 120.785 115.700 0.002 0.000 2.565 147 S HA 0.474 4.943 4.470 -0.002 0.000 0.269 147 S C -1.814 172.615 174.600 -0.286 0.000 1.153 147 S CA -1.137 57.058 58.200 -0.008 0.000 0.835 147 S CB 1.489 64.811 63.200 0.205 0.000 1.122 147 S HN 0.514 nan 8.310 nan 0.000 0.462 148 L N 1.815 122.629 121.223 -0.682 0.000 2.281 148 L HA 0.570 4.909 4.340 -0.002 0.000 0.285 148 L C -0.176 176.547 176.870 -0.245 0.000 1.074 148 L CA 0.436 54.865 54.840 -0.684 0.000 0.817 148 L CB 0.305 41.591 42.059 -1.288 0.000 1.168 148 L HN 0.759 nan 8.230 nan 0.000 0.434 149 K N 2.684 123.018 120.400 -0.110 0.000 2.238 149 K HA 0.635 4.954 4.320 -0.002 0.000 0.239 149 K C -0.212 176.411 176.600 0.038 0.000 0.987 149 K CA -0.910 55.376 56.287 -0.003 0.000 0.857 149 K CB 1.397 33.905 32.500 0.013 0.000 1.154 149 K HN 0.749 nan 8.250 nan 0.000 0.439 150 G N 0.448 109.273 108.800 0.042 0.000 2.378 150 G HA2 0.071 4.030 3.960 -0.002 0.000 0.255 150 G HA3 0.071 4.030 3.960 -0.002 0.000 0.255 150 G C -0.248 174.713 174.900 0.101 0.000 1.270 150 G CA -0.335 44.795 45.100 0.050 0.000 0.876 150 G HN 0.595 nan 8.290 nan 0.000 0.521 151 c N 3.370 122.051 118.600 0.135 0.000 2.499 151 c HA 0.480 5.049 4.570 -0.002 0.000 0.386 151 c C 0.747 174.915 174.090 0.131 0.000 1.293 151 c CA -0.064 56.418 56.329 0.256 0.000 1.884 151 c CB -0.206 42.378 42.510 0.124 0.000 2.509 151 c HN 1.006 nan 8.230 nan 0.000 0.566 152 Q N 4.121 123.993 119.800 0.120 0.000 2.455 152 Q HA -0.063 4.276 4.340 -0.002 0.000 0.343 152 Q C 0.829 176.838 176.000 0.015 0.000 1.458 152 Q CA 1.898 57.728 55.803 0.045 0.000 0.923 152 Q CB -1.210 27.558 28.738 0.050 0.000 1.149 152 Q HN 2.327 nan 8.270 nan 0.000 0.357 153 G N -1.362 107.435 108.800 -0.006 0.000 3.078 153 G HA2 -0.404 3.555 3.960 -0.002 0.000 0.227 153 G HA3 -0.404 3.555 3.960 -0.002 0.000 0.227 153 G C 0.692 175.593 174.900 0.001 0.000 1.306 153 G CA 1.581 46.677 45.100 -0.006 0.000 0.841 153 G HN 1.435 nan 8.290 nan 0.000 0.530 154 K N 2.312 122.716 120.400 0.007 0.000 2.191 154 K HA 0.556 4.875 4.320 -0.002 0.000 0.244 154 K C -1.381 175.224 176.600 0.008 0.000 1.083 154 K CA 0.687 56.977 56.287 0.005 0.000 0.800 154 K CB -0.879 31.623 32.500 0.003 0.000 1.088 154 K HN 0.855 nan 8.250 nan 0.000 0.525 155 P HA 0.503 nan 4.420 nan 0.000 0.305 155 P C -1.018 176.285 177.300 0.006 0.000 1.390 155 P CA -0.778 62.328 63.100 0.010 0.000 1.054 155 P CB 0.942 32.647 31.700 0.008 0.000 1.335 156 L N 2.868 124.103 121.223 0.020 0.000 2.483 156 L HA 0.223 4.562 4.340 -0.002 0.000 0.276 156 L C -1.416 175.448 176.870 -0.010 0.000 1.213 156 L CA -1.551 53.298 54.840 0.014 0.000 0.843 156 L CB -0.738 41.358 42.059 0.061 0.000 1.107 156 L HN 0.291 nan 8.230 nan 0.000 0.487 157 P HA 0.018 nan 4.420 nan 0.000 0.266 157 P C 0.327 177.602 177.300 -0.042 0.000 1.195 157 P CA -0.001 63.036 63.100 -0.105 0.000 0.768 157 P CB 0.584 32.116 31.700 -0.280 0.000 0.838 158 K N 2.684 123.066 120.400 -0.030 0.000 2.032 158 K HA -0.219 4.101 4.320 -0.002 0.000 0.209 158 K C 1.758 178.370 176.600 0.020 0.000 1.048 158 K CA 2.240 58.527 56.287 -0.001 0.000 0.927 158 K CB -1.533 30.965 32.500 -0.004 0.000 0.712 158 K HN 0.555 nan 8.250 nan 0.000 0.441 159 D N -0.117 120.292 120.400 0.016 0.000 2.133 159 D HA -0.091 4.548 4.640 -0.002 0.000 0.195 159 D C 0.762 177.164 176.300 0.170 0.000 0.997 159 D CA 0.639 54.687 54.000 0.079 0.000 0.840 159 D CB -0.233 40.622 40.800 0.092 0.000 0.947 159 D HN 0.444 nan 8.370 nan 0.000 0.452 160 L N 0.997 122.350 121.223 0.217 0.000 2.562 160 L HA 0.237 4.576 4.340 -0.002 0.000 0.271 160 L C 0.204 177.218 176.870 0.241 0.000 1.167 160 L CA -0.118 54.949 54.840 0.379 0.000 0.917 160 L CB 0.241 42.593 42.059 0.489 0.000 1.187 160 L HN -0.081 nan 8.230 nan 0.000 0.482 161 R N 5.169 125.779 120.500 0.183 0.000 2.664 161 R HA 0.743 5.082 4.340 -0.002 0.000 0.286 161 R C -1.219 175.170 176.300 0.148 0.000 0.967 161 R CA -0.188 55.955 56.100 0.072 0.000 0.933 161 R CB 1.412 31.710 30.300 -0.003 0.000 1.146 161 R HN 0.739 nan 8.270 nan 0.000 0.468 162 F N -0.797 119.158 119.950 0.008 0.000 2.664 162 F HA 0.812 5.338 4.527 -0.002 0.000 0.317 162 F C -0.464 175.329 175.800 -0.012 0.000 1.108 162 F CA -1.903 56.090 58.000 -0.011 0.000 0.957 162 F CB 1.695 40.677 39.000 -0.030 0.000 1.365 162 F HN 0.555 nan 8.300 nan 0.000 0.475 163 I N 0.027 120.778 120.570 0.301 0.000 2.542 163 I HA 0.458 4.627 4.170 -0.002 0.000 0.278 163 I C -2.935 173.317 176.117 0.225 0.000 1.069 163 I CA -2.014 59.396 61.300 0.184 0.000 1.100 163 I CB 1.310 39.357 38.000 0.080 0.000 1.204 163 I HN 0.319 nan 8.210 nan 0.000 0.470 164 P HA 0.115 nan 4.420 nan 0.000 0.270 164 P C -0.859 176.621 177.300 0.300 0.000 1.227 164 P CA 0.308 63.561 63.100 0.255 0.000 0.788 164 P CB 0.932 32.819 31.700 0.311 0.000 0.926 165 D N 0.295 120.953 120.400 0.431 0.000 2.266 165 D HA 0.094 4.733 4.640 -0.002 0.000 0.218 165 D C -1.965 174.458 176.300 0.205 0.000 1.311 165 D CA -1.345 52.806 54.000 0.252 0.000 0.918 165 D CB 0.474 41.370 40.800 0.160 0.000 1.530 165 D HN 0.024 nan 8.370 nan 0.000 0.514 166 P HA -0.222 nan 4.420 nan 0.000 0.220 166 P C 0.569 177.856 177.300 -0.023 0.000 1.142 166 P CA 1.021 63.982 63.100 -0.232 0.000 0.801 166 P CB 0.302 31.830 31.700 -0.286 0.000 0.764 167 K N -1.688 118.707 120.400 -0.008 0.000 2.374 167 K HA 0.308 4.627 4.320 -0.002 0.000 0.196 167 K C 1.417 178.091 176.600 0.124 0.000 1.023 167 K CA 0.233 56.499 56.287 -0.035 0.000 1.103 167 K CB 0.483 32.915 32.500 -0.114 0.000 0.848 167 K HN 0.103 nan 8.250 nan 0.000 0.528 168 A N 0.027 122.933 122.820 0.144 0.000 1.826 168 A HA 0.677 4.997 4.320 -0.002 0.000 0.178 168 A C 0.512 178.204 177.584 0.180 0.000 1.903 168 A CA 0.406 52.532 52.037 0.148 0.000 1.555 168 A CB 0.316 19.388 19.000 0.119 0.000 1.241 168 A HN 0.246 nan 8.150 nan 0.000 0.769 169 G N -1.143 107.767 108.800 0.185 0.000 2.500 169 G HA2 0.500 4.460 3.960 -0.002 0.000 0.299 169 G HA3 0.500 4.460 3.960 -0.002 0.000 0.299 169 G C -1.862 173.084 174.900 0.077 0.000 1.242 169 G CA -0.315 44.881 45.100 0.160 0.000 0.859 169 G HN 0.384 nan 8.290 nan 0.000 0.481 170 I N 0.962 121.436 120.570 -0.160 0.000 2.428 170 I HA 0.491 4.660 4.170 -0.002 0.000 0.296 170 I C 0.381 176.434 176.117 -0.107 0.000 0.985 170 I CA -0.510 60.663 61.300 -0.211 0.000 1.260 170 I CB 1.747 39.426 38.000 -0.535 0.000 1.389 170 I HN 0.253 nan 8.210 nan 0.000 0.484 171 M N 7.125 126.734 119.600 0.015 0.000 2.628 171 M HA 0.368 4.847 4.480 -0.002 0.000 0.327 171 M C -0.448 175.885 176.300 0.056 0.000 1.223 171 M CA -0.569 54.746 55.300 0.025 0.000 1.221 171 M CB -0.103 32.528 32.600 0.051 0.000 1.202 171 M HN 0.387 nan 8.290 nan 0.000 0.473 172 I N 2.930 123.506 120.570 0.009 0.000 2.996 172 I HA -0.192 3.977 4.170 -0.002 0.000 0.310 172 I C 0.985 177.114 176.117 0.021 0.000 1.225 172 I CA 0.643 61.970 61.300 0.045 0.000 1.442 172 I CB -0.099 37.895 38.000 -0.010 0.000 1.334 172 I HN 0.515 nan 8.210 nan 0.000 0.550 173 K N 3.599 124.022 120.400 0.038 0.000 2.185 173 K HA 0.469 4.788 4.320 -0.002 0.000 0.269 173 K C 0.591 177.148 176.600 -0.072 0.000 0.987 173 K CA -0.188 56.094 56.287 -0.007 0.000 0.865 173 K CB 1.263 33.773 32.500 0.018 0.000 1.090 173 K HN 0.669 nan 8.250 nan 0.000 0.450 174 S N -0.369 115.278 115.700 -0.088 0.000 3.635 174 S HA -0.141 4.328 4.470 -0.002 0.000 0.328 174 S C 0.372 174.826 174.600 -0.242 0.000 1.135 174 S CA 0.363 58.490 58.200 -0.122 0.000 0.942 174 S CB -2.480 60.672 63.200 -0.079 0.000 0.930 174 S HN 1.333 nan 8.310 nan 0.000 0.512 175 V N 1.308 121.030 119.914 -0.320 0.000 2.996 175 V HA -0.215 3.904 4.120 -0.002 0.000 0.289 175 V C 0.945 176.774 176.094 -0.441 0.000 1.171 175 V CA 1.142 63.137 62.300 -0.509 0.000 1.298 175 V CB -0.423 31.250 31.823 -0.250 0.000 0.803 175 V HN 0.407 nan 8.190 nan 0.000 0.448 176 K N 5.138 125.132 120.400 -0.677 0.000 2.098 176 K HA 0.461 4.780 4.320 -0.002 0.000 0.258 176 K C 1.154 177.806 176.600 0.086 0.000 0.973 176 K CA -0.884 55.315 56.287 -0.146 0.000 0.898 176 K CB 1.372 33.962 32.500 0.150 0.000 1.057 176 K HN 0.371 nan 8.250 nan 0.000 0.447 177 R N 1.021 121.502 120.500 -0.032 0.000 2.134 177 R HA -0.251 4.088 4.340 -0.002 0.000 0.248 177 R C 1.802 178.273 176.300 0.285 0.000 1.143 177 R CA 2.074 58.120 56.100 -0.089 0.000 0.957 177 R CB -0.576 29.386 30.300 -0.564 0.000 0.867 177 R HN 0.782 nan 8.270 nan 0.000 0.441 178 A N -0.164 122.814 122.820 0.262 0.000 2.272 178 A HA -0.144 4.175 4.320 -0.002 0.000 0.213 178 A C 1.013 178.751 177.584 0.256 0.000 1.183 178 A CA 0.949 53.135 52.037 0.248 0.000 0.719 178 A CB -0.552 18.522 19.000 0.123 0.000 0.771 178 A HN 0.473 nan 8.150 nan 0.000 0.484 179 Y N -2.254 118.132 120.300 0.143 0.000 2.458 179 Y HA 0.108 4.658 4.550 -0.001 0.000 0.256 179 Y C 1.075 177.083 175.900 0.180 0.000 1.159 179 Y CA -0.699 57.473 58.100 0.120 0.000 1.261 179 Y CB 0.070 38.580 38.460 0.083 0.000 1.119 179 Y HN 0.440 nan 8.280 nan 0.000 0.524 180 H N 2.212 121.454 119.070 0.286 0.000 3.064 180 H HA 0.009 4.564 4.556 -0.001 0.000 0.329 180 H C 0.881 176.262 175.328 0.088 0.000 1.020 180 H CA 0.118 56.286 56.048 0.199 0.000 1.402 180 H CB 0.413 30.332 29.762 0.262 0.000 1.379 180 H HN 0.187 nan 8.280 nan 0.000 0.594 181 R N 1.304 121.818 120.500 0.025 0.000 4.000 181 R HA -0.209 4.130 4.340 -0.002 0.000 0.362 181 R C 0.058 176.334 176.300 -0.040 0.000 1.183 181 R CA 0.642 56.654 56.100 -0.147 0.000 1.011 181 R CB -2.097 27.998 30.300 -0.341 0.000 1.501 181 R HN 0.659 nan 8.270 nan 0.000 0.553 182 L N 1.793 123.041 121.223 0.041 0.000 2.410 182 L HA 0.160 4.500 4.340 -0.002 0.000 0.273 182 L C 0.854 177.730 176.870 0.009 0.000 1.152 182 L CA -0.146 54.711 54.840 0.027 0.000 0.855 182 L CB 0.556 42.656 42.059 0.068 0.000 1.129 182 L HN 0.381 nan 8.230 nan 0.000 0.463 183 c N 5.774 124.366 118.600 -0.013 0.000 2.303 183 c HA 0.669 5.238 4.570 -0.002 0.000 0.326 183 c C -0.029 174.044 174.090 -0.029 0.000 1.285 183 c CA -1.194 55.114 56.329 -0.034 0.000 1.675 183 c CB 0.360 42.830 42.510 -0.067 0.000 2.289 183 c HN 0.670 nan 8.230 nan 0.000 0.512 184 L N 2.835 124.036 121.223 -0.037 0.000 2.341 184 L HA 0.719 5.058 4.340 -0.002 0.000 0.267 184 L C 0.228 177.047 176.870 -0.085 0.000 1.022 184 L CA -0.214 54.606 54.840 -0.035 0.000 0.844 184 L CB 0.341 42.352 42.059 -0.080 0.000 1.436 184 L HN 0.747 nan 8.230 nan 0.000 0.483 185 H N -1.078 117.962 119.070 -0.050 0.000 2.930 185 H HA 0.254 4.809 4.556 -0.002 0.000 0.371 185 H C -1.212 174.014 175.328 -0.170 0.000 1.169 185 H CA -0.356 55.661 56.048 -0.052 0.000 1.157 185 H CB 2.685 32.414 29.762 -0.056 0.000 1.789 185 H HN 0.568 nan 8.280 nan 0.000 0.547 186 c N 2.361 120.903 118.600 -0.096 0.000 2.307 186 c HA 0.507 5.076 4.570 -0.002 0.000 0.340 186 c C 0.618 174.652 174.090 -0.092 0.000 1.275 186 c CA 0.008 56.189 56.329 -0.248 0.000 1.811 186 c CB -0.134 42.131 42.510 -0.409 0.000 2.372 186 c HN 0.696 nan 8.230 nan 0.000 0.531 187 S N 3.480 119.240 115.700 0.100 0.000 2.566 187 S HA 0.897 5.366 4.470 -0.002 0.000 0.298 187 S C -1.348 173.493 174.600 0.401 0.000 1.083 187 S CA -0.525 57.833 58.200 0.263 0.000 0.978 187 S CB 1.594 64.862 63.200 0.113 0.000 1.073 187 S HN 0.814 nan 8.310 nan 0.000 0.491 188 V N 2.920 123.047 119.914 0.355 0.000 2.852 188 V HA 0.347 4.466 4.120 -0.002 0.000 0.300 188 V C -1.933 174.237 176.094 0.127 0.000 1.205 188 V CA -0.788 61.648 62.300 0.227 0.000 0.940 188 V CB 2.460 34.352 31.823 0.116 0.000 1.047 188 V HN 0.998 nan 8.190 nan 0.000 0.429 189 D N 4.026 124.473 120.400 0.079 0.000 2.317 189 D HA 0.415 5.054 4.640 -0.002 0.000 0.234 189 D C -0.270 176.038 176.300 0.013 0.000 1.112 189 D CA 0.198 54.226 54.000 0.046 0.000 0.840 189 D CB 1.461 42.286 40.800 0.041 0.000 1.078 189 D HN 0.515 nan 8.370 nan 0.000 0.486 190 Q N 2.183 121.987 119.800 0.007 0.000 2.357 190 Q HA 0.229 4.568 4.340 -0.002 0.000 0.266 190 Q C -0.808 175.188 176.000 -0.007 0.000 1.021 190 Q CA -0.498 55.297 55.803 -0.014 0.000 0.784 190 Q CB 0.581 29.303 28.738 -0.026 0.000 1.243 190 Q HN 0.455 nan 8.270 nan 0.000 0.465 191 E N 2.906 123.099 120.200 -0.011 0.000 2.358 191 E HA -0.274 4.075 4.350 -0.002 0.000 0.246 191 E C 0.555 177.155 176.600 -0.001 0.000 1.127 191 E CA 0.335 56.730 56.400 -0.008 0.000 0.726 191 E CB -1.703 27.993 29.700 -0.007 0.000 1.272 191 E HN 1.199 nan 8.360 nan 0.000 0.390 192 G N -0.359 108.441 108.800 0.001 0.000 2.377 192 G HA2 -0.426 3.533 3.960 -0.002 0.000 0.250 192 G HA3 -0.426 3.533 3.960 -0.002 0.000 0.250 192 G C 0.466 175.373 174.900 0.011 0.000 1.039 192 G CA 0.994 46.098 45.100 0.006 0.000 0.625 192 G HN 0.249 nan 8.290 nan 0.000 0.526 193 K N 1.583 121.990 120.400 0.012 0.000 2.172 193 K HA 0.611 4.931 4.320 -0.002 0.000 0.276 193 K C 0.457 177.073 176.600 0.028 0.000 1.013 193 K CA 0.294 56.592 56.287 0.018 0.000 0.913 193 K CB 1.181 33.691 32.500 0.016 0.000 1.055 193 K HN 0.508 nan 8.250 nan 0.000 0.461 194 S N 2.357 118.078 115.700 0.035 0.000 2.462 194 S HA 0.618 5.087 4.470 -0.002 0.000 0.294 194 S C -0.144 174.497 174.600 0.068 0.000 1.144 194 S CA -0.795 57.438 58.200 0.056 0.000 1.088 194 S CB 0.802 64.035 63.200 0.054 0.000 1.009 194 S HN 0.369 nan 8.310 nan 0.000 0.484 195 V N 1.286 121.270 119.914 0.116 0.000 2.881 195 V HA 0.786 4.905 4.120 -0.002 0.000 0.316 195 V C -0.658 175.572 176.094 0.226 0.000 1.070 195 V CA -1.076 61.316 62.300 0.154 0.000 0.976 195 V CB 1.005 32.941 31.823 0.188 0.000 1.038 195 V HN 0.764 nan 8.190 nan 0.000 0.446 196 L N 2.525 123.834 121.223 0.144 0.000 2.313 196 L HA 0.794 5.133 4.340 -0.002 0.000 0.268 196 L C 0.659 177.524 176.870 -0.009 0.000 1.010 196 L CA 0.297 55.166 54.840 0.049 0.000 0.814 196 L CB 2.106 44.084 42.059 -0.136 0.000 1.304 196 L HN 1.145 nan 8.230 nan 0.000 0.441 197 S N -1.135 114.412 115.700 -0.254 0.000 2.758 197 S HA 0.605 5.074 4.470 -0.002 0.000 0.292 197 S C -0.040 174.540 174.600 -0.034 0.000 1.131 197 S CA -0.889 57.057 58.200 -0.423 0.000 0.997 197 S CB 0.926 63.609 63.200 -0.862 0.000 1.111 197 S HN 0.512 nan 8.310 nan 0.000 0.552 198 E N 0.832 120.977 120.200 -0.091 0.000 2.451 198 E HA 0.113 4.462 4.350 -0.002 0.000 0.256 198 E C 0.004 176.443 176.600 -0.269 0.000 1.294 198 E CA -0.305 56.019 56.400 -0.127 0.000 1.005 198 E CB 0.281 29.856 29.700 -0.207 0.000 0.990 198 E HN 0.648 nan 8.360 nan 0.000 0.505 199 K N 0.723 120.898 120.400 -0.376 0.000 2.174 199 K HA 0.302 4.621 4.320 -0.002 0.000 0.275 199 K C -1.150 175.156 176.600 -0.490 0.000 1.015 199 K CA -0.307 55.650 56.287 -0.550 0.000 0.933 199 K CB 0.630 32.849 32.500 -0.468 0.000 1.025 199 K HN 0.232 nan 8.250 nan 0.000 0.463 200 F N 2.371 122.125 119.950 -0.326 0.000 2.480 200 F HA 0.430 4.956 4.527 -0.002 0.000 0.329 200 F C 0.223 175.909 175.800 -0.190 0.000 1.091 200 F CA -1.086 56.786 58.000 -0.214 0.000 0.972 200 F CB 1.835 40.722 39.000 -0.188 0.000 1.150 200 F HN 0.515 nan 8.300 nan 0.000 0.467 201 I N 6.144 126.705 120.570 -0.015 0.000 2.871 201 I HA 0.302 4.471 4.170 -0.002 0.000 0.284 201 I C -1.016 175.074 176.117 -0.046 0.000 1.390 201 I CA -0.966 60.309 61.300 -0.040 0.000 0.958 201 I CB 0.378 38.331 38.000 -0.079 0.000 1.618 201 I HN 0.573 nan 8.210 nan 0.000 0.595 202 L N 5.561 126.780 121.223 -0.007 0.000 2.693 202 L HA 0.042 4.381 4.340 -0.002 0.000 0.292 202 L C -0.742 176.156 176.870 0.047 0.000 1.243 202 L CA 1.251 56.082 54.840 -0.014 0.000 0.903 202 L CB 0.163 42.248 42.059 0.043 0.000 1.160 202 L HN 0.438 nan 8.230 nan 0.000 0.496 203 K N 5.463 125.852 120.400 -0.020 0.000 2.307 203 K HA 0.447 4.766 4.320 -0.002 0.000 0.263 203 K C -1.182 175.438 176.600 0.034 0.000 0.973 203 K CA -0.794 55.581 56.287 0.145 0.000 0.846 203 K CB 1.892 34.408 32.500 0.026 0.000 1.100 203 K HN 0.510 nan 8.250 nan 0.000 0.438 204 V N 3.626 123.455 119.914 -0.141 0.000 2.364 204 V HA 0.237 4.356 4.120 -0.002 0.000 0.272 204 V C 0.539 176.602 176.094 -0.051 0.000 1.036 204 V CA -0.767 61.494 62.300 -0.066 0.000 0.880 204 V CB 0.967 32.856 31.823 0.110 0.000 0.991 204 V HN 0.628 nan 8.190 nan 0.000 0.460 205 R N 8.326 128.842 120.500 0.027 0.000 2.316 205 R HA 0.282 4.621 4.340 -0.002 0.000 0.314 205 R C -2.263 174.057 176.300 0.034 0.000 1.069 205 R CA -1.301 54.828 56.100 0.049 0.000 0.959 205 R CB 0.933 31.257 30.300 0.040 0.000 0.987 205 R HN 0.463 nan 8.270 nan 0.000 0.446 206 P HA 0.058 nan 4.420 nan 0.000 0.271 206 P C -1.358 175.817 177.300 -0.209 0.000 1.233 206 P CA -0.226 62.770 63.100 -0.172 0.000 0.789 206 P CB 1.050 32.633 31.700 -0.195 0.000 0.951 207 A N 1.961 124.650 122.820 -0.218 0.000 2.311 207 A HA 0.540 4.859 4.320 -0.002 0.000 0.306 207 A C -0.504 177.030 177.584 -0.085 0.000 1.189 207 A CA -0.689 51.301 52.037 -0.080 0.000 0.791 207 A CB -0.086 18.901 19.000 -0.021 0.000 1.172 207 A HN 0.302 nan 8.150 nan 0.000 0.481 208 F N 1.793 121.745 119.950 0.004 0.000 2.569 208 F HA 0.072 4.598 4.527 -0.002 0.000 0.395 208 F C 1.390 177.209 175.800 0.031 0.000 1.028 208 F CA 0.950 58.944 58.000 -0.009 0.000 1.158 208 F CB 0.494 39.512 39.000 0.030 0.000 1.023 208 F HN 0.582 nan 8.300 nan 0.000 0.547 209 K N 2.634 123.026 120.400 -0.013 0.000 2.537 209 K HA 0.644 4.963 4.320 -0.002 0.000 0.206 209 K C -0.351 175.874 176.600 -0.625 0.000 1.041 209 K CA -0.144 56.115 56.287 -0.046 0.000 1.090 209 K CB 0.610 33.104 32.500 -0.009 0.000 0.833 209 K HN 0.645 nan 8.250 nan 0.000 0.493 210 A N -0.048 122.069 122.820 -1.170 0.000 2.571 210 A HA 0.267 4.586 4.320 -0.002 0.000 0.296 210 A C -0.955 176.183 177.584 -0.743 0.000 1.005 210 A CA -0.783 50.449 52.037 -1.342 0.000 0.682 210 A CB 0.650 19.325 19.000 -0.541 0.000 1.292 210 A HN -0.068 nan 8.150 nan 0.000 0.420 211 V N 2.081 121.708 119.914 -0.480 0.000 2.740 211 V HA 0.248 4.367 4.120 -0.002 0.000 0.303 211 V C -1.884 174.164 176.094 -0.076 0.000 1.054 211 V CA -0.501 61.721 62.300 -0.131 0.000 1.106 211 V CB 0.647 32.475 31.823 0.008 0.000 0.957 211 V HN 0.753 nan 8.190 nan 0.000 0.486 212 P HA 0.058 nan 4.420 nan 0.000 0.263 212 P C -0.594 176.696 177.300 -0.016 0.000 1.195 212 P CA 0.099 63.194 63.100 -0.008 0.000 0.762 212 P CB 0.224 31.909 31.700 -0.025 0.000 0.799 213 V N 5.342 125.255 119.914 -0.002 0.000 2.488 213 V HA 0.240 4.360 4.120 -0.002 0.000 0.277 213 V C 0.536 176.633 176.094 0.006 0.000 1.046 213 V CA 0.046 62.347 62.300 0.002 0.000 0.986 213 V CB 1.300 33.129 31.823 0.009 0.000 0.989 213 V HN 0.314 nan 8.190 nan 0.000 0.475 214 V N 5.010 124.925 119.914 0.002 0.000 2.841 214 V HA 0.885 5.004 4.120 -0.002 0.000 0.310 214 V C -0.220 175.881 176.094 0.012 0.000 1.090 214 V CA 0.096 62.394 62.300 -0.003 0.000 0.930 214 V CB 2.729 34.530 31.823 -0.036 0.000 1.014 214 V HN 1.108 nan 8.190 nan 0.000 0.425 215 S N 4.334 120.047 115.700 0.022 0.000 2.720 215 S HA 0.877 5.346 4.470 -0.002 0.000 0.287 215 S C -1.171 173.472 174.600 0.071 0.000 1.168 215 S CA -0.759 57.469 58.200 0.048 0.000 0.832 215 S CB 1.848 65.081 63.200 0.054 0.000 1.166 215 S HN 1.242 nan 8.310 nan 0.000 0.493 216 V N 1.534 121.516 119.914 0.113 0.000 2.760 216 V HA 0.507 4.626 4.120 -0.002 0.000 0.309 216 V C 1.260 177.465 176.094 0.184 0.000 1.077 216 V CA 0.116 62.526 62.300 0.185 0.000 0.910 216 V CB 2.001 33.974 31.823 0.250 0.000 1.008 216 V HN 1.329 nan 8.190 nan 0.000 0.424 217 S N 4.774 120.598 115.700 0.206 0.000 2.377 217 S HA -0.074 4.395 4.470 -0.002 0.000 0.224 217 S C 0.856 175.544 174.600 0.147 0.000 1.042 217 S CA 1.774 60.070 58.200 0.160 0.000 1.086 217 S CB -0.518 62.781 63.200 0.165 0.000 0.995 217 S HN 1.507 nan 8.310 nan 0.000 0.428 218 K N 0.306 120.844 120.400 0.231 0.000 2.267 218 K HA 0.914 5.233 4.320 -0.002 0.000 0.246 218 K C 0.947 177.716 176.600 0.281 0.000 0.954 218 K CA -0.392 55.990 56.287 0.159 0.000 0.824 218 K CB 0.961 33.366 32.500 -0.158 0.000 1.167 218 K HN 0.501 nan 8.250 nan 0.000 0.431 219 A N 0.543 123.475 122.820 0.186 0.000 1.855 219 A HA 0.232 4.551 4.320 -0.002 0.000 0.213 219 A C 1.025 178.776 177.584 0.278 0.000 1.195 219 A CA 1.948 54.110 52.037 0.208 0.000 0.610 219 A CB -0.175 18.904 19.000 0.131 0.000 0.837 219 A HN 1.601 nan 8.150 nan 0.000 0.444 220 S N -1.385 114.473 115.700 0.264 0.000 2.736 220 S HA 0.666 5.135 4.470 -0.002 0.000 0.285 220 S C -0.929 173.885 174.600 0.357 0.000 1.163 220 S CA -0.728 57.656 58.200 0.307 0.000 1.025 220 S CB 0.305 63.615 63.200 0.183 0.000 1.030 220 S HN 0.299 nan 8.310 nan 0.000 0.486 221 Y N 1.956 122.338 120.300 0.137 0.000 2.334 221 Y HA 0.740 5.289 4.550 -0.001 0.000 0.325 221 Y C -0.026 175.933 175.900 0.098 0.000 1.308 221 Y CA -1.378 56.810 58.100 0.147 0.000 1.389 221 Y CB 0.987 39.584 38.460 0.227 0.000 1.328 221 Y HN 0.660 nan 8.280 nan 0.000 0.532 222 L N 3.468 124.879 121.223 0.313 0.000 2.737 222 L HA 0.471 4.810 4.340 -0.002 0.000 0.261 222 L C -1.989 175.051 176.870 0.283 0.000 0.949 222 L CA -0.699 54.245 54.840 0.172 0.000 0.952 222 L CB 1.039 43.172 42.059 0.123 0.000 1.337 222 L HN 0.555 nan 8.230 nan 0.000 0.430 223 L N 1.959 123.288 121.223 0.177 0.000 2.409 223 L HA 0.710 5.049 4.340 -0.002 0.000 0.262 223 L C -0.135 176.886 176.870 0.253 0.000 0.992 223 L CA -1.111 53.961 54.840 0.386 0.000 0.817 223 L CB 1.879 44.124 42.059 0.310 0.000 1.350 223 L HN 0.752 nan 8.230 nan 0.000 0.411 224 R N 1.492 122.298 120.500 0.511 0.000 2.491 224 R HA 0.095 4.434 4.340 -0.002 0.000 0.283 224 R C 0.138 176.552 176.300 0.190 0.000 1.072 224 R CA -0.246 56.068 56.100 0.355 0.000 1.048 224 R CB 0.762 31.340 30.300 0.463 0.000 0.983 224 R HN 0.852 nan 8.270 nan 0.000 0.450 225 E N 2.589 122.859 120.200 0.117 0.000 2.653 225 E HA -0.124 4.225 4.350 -0.002 0.000 0.264 225 E C 0.556 177.206 176.600 0.083 0.000 0.949 225 E CA 1.498 57.944 56.400 0.077 0.000 0.953 225 E CB 0.182 29.914 29.700 0.053 0.000 0.925 225 E HN 0.856 nan 8.360 nan 0.000 0.475 226 G N 3.635 112.477 108.800 0.069 0.000 2.345 226 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.218 226 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.218 226 G C 0.231 175.174 174.900 0.072 0.000 1.058 226 G CA 0.173 45.311 45.100 0.063 0.000 0.632 226 G HN 0.634 nan 8.290 nan 0.000 0.508 227 E N 1.240 121.498 120.200 0.097 0.000 2.447 227 E HA 0.356 4.705 4.350 -0.002 0.000 0.259 227 E C 0.426 177.089 176.600 0.104 0.000 1.196 227 E CA 0.287 56.750 56.400 0.105 0.000 0.995 227 E CB 0.433 30.221 29.700 0.148 0.000 0.974 227 E HN 0.511 nan 8.360 nan 0.000 0.465 228 E N 1.285 121.544 120.200 0.099 0.000 2.242 228 E HA 0.174 4.524 4.350 -0.002 0.000 0.275 228 E C -1.477 175.213 176.600 0.150 0.000 1.002 228 E CA -0.518 55.937 56.400 0.091 0.000 0.841 228 E CB 0.736 30.461 29.700 0.042 0.000 1.109 228 E HN 0.266 nan 8.360 nan 0.000 0.394 229 F N 3.110 123.029 119.950 -0.051 0.000 2.444 229 F HA 0.443 4.969 4.527 -0.002 0.000 0.342 229 F C -0.926 174.763 175.800 -0.185 0.000 1.121 229 F CA -0.344 57.586 58.000 -0.116 0.000 0.997 229 F CB 1.871 40.730 39.000 -0.236 0.000 1.130 229 F HN 0.313 nan 8.300 nan 0.000 0.454 230 T N 6.356 120.395 114.554 -0.858 0.000 3.032 230 T HA 0.651 5.000 4.350 -0.002 0.000 0.312 230 T C -2.205 172.031 174.700 -0.774 0.000 1.078 230 T CA -0.533 61.060 62.100 -0.846 0.000 1.028 230 T CB 1.062 69.725 68.868 -0.341 0.000 1.091 230 T HN 0.797 nan 8.240 nan 0.000 0.457 231 V N 3.946 123.365 119.914 -0.824 0.000 3.049 231 V HA 0.879 4.998 4.120 -0.002 0.000 0.309 231 V C -1.181 174.820 176.094 -0.155 0.000 1.148 231 V CA -0.314 61.750 62.300 -0.393 0.000 0.990 231 V CB 2.707 34.197 31.823 -0.555 0.000 1.039 231 V HN 1.077 nan 8.190 nan 0.000 0.430 232 T N 4.234 118.861 114.554 0.122 0.000 2.881 232 T HA 0.427 4.776 4.350 -0.002 0.000 0.290 232 T C -0.820 174.090 174.700 0.351 0.000 1.000 232 T CA -0.298 61.950 62.100 0.246 0.000 0.978 232 T CB 1.186 70.151 68.868 0.161 0.000 0.997 232 T HN 0.927 nan 8.240 nan 0.000 0.443 233 c N 3.134 121.990 118.600 0.428 0.000 2.364 233 c HA 0.783 5.353 4.570 -0.002 0.000 0.356 233 c C 0.154 174.333 174.090 0.148 0.000 1.201 233 c CA -0.124 56.336 56.329 0.219 0.000 2.227 233 c CB 0.059 42.527 42.510 -0.069 0.000 2.387 233 c HN 0.951 nan 8.230 nan 0.000 0.546 234 T N 6.334 120.944 114.554 0.093 0.000 2.934 234 T HA 0.436 4.785 4.350 -0.002 0.000 0.328 234 T C -0.642 174.091 174.700 0.056 0.000 1.068 234 T CA -0.115 62.042 62.100 0.095 0.000 1.018 234 T CB 0.151 69.076 68.868 0.096 0.000 1.009 234 T HN 0.446 nan 8.240 nan 0.000 0.471 235 I N 3.405 124.009 120.570 0.057 0.000 2.325 235 I HA 0.341 4.510 4.170 -0.002 0.000 0.291 235 I C 0.416 176.578 176.117 0.076 0.000 1.019 235 I CA -0.385 60.943 61.300 0.046 0.000 1.302 235 I CB 0.611 38.637 38.000 0.043 0.000 1.401 235 I HN 0.359 nan 8.210 nan 0.000 0.485 236 K N 4.905 125.343 120.400 0.064 0.000 2.259 236 K HA 0.769 5.088 4.320 -0.002 0.000 0.252 236 K C -1.155 175.498 176.600 0.087 0.000 0.936 236 K CA -0.955 55.373 56.287 0.068 0.000 0.810 236 K CB 2.364 34.887 32.500 0.038 0.000 1.143 236 K HN 0.463 nan 8.250 nan 0.000 0.427 237 D N 0.490 120.960 120.400 0.118 0.000 2.728 237 D HA 0.005 4.644 4.640 -0.002 0.000 0.249 237 D C 0.465 176.796 176.300 0.051 0.000 1.225 237 D CA -0.583 53.470 54.000 0.090 0.000 0.748 237 D CB 1.744 42.625 40.800 0.135 0.000 1.326 237 D HN 0.164 nan 8.370 nan 0.000 0.426 238 V N 0.355 120.253 119.914 -0.026 0.000 3.140 238 V HA 0.035 4.154 4.120 -0.002 0.000 0.269 238 V C 1.031 177.059 176.094 -0.110 0.000 1.149 238 V CA 1.742 64.007 62.300 -0.058 0.000 1.162 238 V CB -0.760 30.959 31.823 -0.173 0.000 0.756 238 V HN 0.446 nan 8.190 nan 0.000 0.523 239 S N -1.561 114.042 115.700 -0.162 0.000 2.548 239 S HA 0.294 4.763 4.470 -0.002 0.000 0.278 239 S C 0.992 175.285 174.600 -0.511 0.000 1.150 239 S CA -0.017 58.023 58.200 -0.266 0.000 0.907 239 S CB 1.862 64.913 63.200 -0.248 0.000 1.108 239 S HN 0.386 nan 8.310 nan 0.000 0.459 240 S N 3.140 118.212 115.700 -1.047 0.000 2.400 240 S HA -0.221 4.248 4.470 -0.002 0.000 0.234 240 S C 1.933 176.109 174.600 -0.707 0.000 1.049 240 S CA 2.094 59.224 58.200 -1.783 0.000 1.039 240 S CB -1.228 61.442 63.200 -0.883 0.000 0.856 240 S HN 1.425 nan 8.310 nan 0.000 0.465 241 S N 2.239 117.757 115.700 -0.304 0.000 2.520 241 S HA -0.025 4.444 4.470 -0.002 0.000 0.249 241 S C 1.171 175.779 174.600 0.014 0.000 0.983 241 S CA 0.498 58.664 58.200 -0.057 0.000 0.958 241 S CB -1.620 61.639 63.200 0.099 0.000 0.750 241 S HN 0.829 nan 8.310 nan 0.000 0.527 242 V N -1.385 118.531 119.914 0.003 0.000 3.803 242 V HA 0.202 4.321 4.120 -0.002 0.000 0.300 242 V C 0.008 176.105 176.094 0.005 0.000 1.111 242 V CA -0.544 61.764 62.300 0.014 0.000 1.189 242 V CB -0.392 31.446 31.823 0.025 0.000 1.118 242 V HN 0.443 nan 8.190 nan 0.000 0.486 243 Y N 0.897 121.129 120.300 -0.113 0.000 2.373 243 Y HA 0.662 5.211 4.550 -0.001 0.000 0.336 243 Y C -0.129 175.718 175.900 -0.088 0.000 0.979 243 Y CA -0.056 57.996 58.100 -0.081 0.000 1.080 243 Y CB 1.570 39.983 38.460 -0.079 0.000 1.190 243 Y HN 1.116 nan 8.280 nan 0.000 0.446 244 S N 3.723 119.108 115.700 -0.524 0.000 2.599 244 S HA 0.891 5.360 4.470 -0.002 0.000 0.294 244 S C -0.748 173.633 174.600 -0.365 0.000 1.094 244 S CA -0.653 57.366 58.200 -0.302 0.000 0.931 244 S CB 2.137 65.250 63.200 -0.146 0.000 1.093 244 S HN 0.910 nan 8.310 nan 0.000 0.488 245 T N 0.526 115.011 114.554 -0.115 0.000 3.087 245 T HA 0.436 4.785 4.350 -0.002 0.000 0.351 245 T C -2.419 172.324 174.700 0.072 0.000 1.520 245 T CA -0.411 61.705 62.100 0.026 0.000 1.111 245 T CB 0.627 69.600 68.868 0.175 0.000 1.353 245 T HN 0.733 nan 8.240 nan 0.000 0.481 246 W N 4.251 125.634 121.300 0.138 0.000 2.288 246 W HA 0.617 5.276 4.660 -0.002 0.000 0.325 246 W C 0.397 177.014 176.519 0.163 0.000 1.019 246 W CA -0.693 56.749 57.345 0.162 0.000 1.403 246 W CB 1.092 30.631 29.460 0.133 0.000 1.226 246 W HN 0.474 nan 8.180 nan 0.000 0.391 247 K N 1.796 122.454 120.400 0.430 0.000 2.238 247 K HA 0.544 4.863 4.320 -0.002 0.000 0.239 247 K C -0.398 176.332 176.600 0.216 0.000 0.987 247 K CA -1.156 55.283 56.287 0.253 0.000 0.857 247 K CB 1.611 34.194 32.500 0.138 0.000 1.154 247 K HN 0.240 nan 8.250 nan 0.000 0.439 248 R N 1.459 121.975 120.500 0.026 0.000 2.312 248 R HA 0.100 4.439 4.340 -0.002 0.000 0.311 248 R C -0.748 175.439 176.300 -0.188 0.000 1.004 248 R CA -0.498 55.452 56.100 -0.250 0.000 0.902 248 R CB 0.876 30.977 30.300 -0.332 0.000 1.073 248 R HN 0.518 nan 8.270 nan 0.000 0.457 249 E N 3.888 123.956 120.200 -0.219 0.000 3.056 249 E HA -0.237 4.113 4.350 -0.002 0.000 0.264 249 E C -0.729 175.807 176.600 -0.107 0.000 0.899 249 E CA 1.149 57.479 56.400 -0.116 0.000 0.966 249 E CB 0.046 29.679 29.700 -0.111 0.000 0.913 249 E HN 0.630 nan 8.360 nan 0.000 0.522 250 N N 2.460 121.119 118.700 -0.069 0.000 2.586 250 N HA -0.238 4.501 4.740 -0.002 0.000 0.282 250 N C -1.514 173.957 175.510 -0.065 0.000 1.171 250 N CA 1.337 54.351 53.050 -0.061 0.000 0.733 250 N CB -1.014 37.439 38.487 -0.056 0.000 0.910 250 N HN 0.394 nan 8.380 nan 0.000 0.548 251 S N 0.076 115.744 115.700 -0.054 0.000 2.669 251 S HA 0.180 4.649 4.470 -0.002 0.000 0.304 251 S C -0.379 174.208 174.600 -0.021 0.000 1.021 251 S CA -0.587 57.588 58.200 -0.042 0.000 0.854 251 S CB 0.983 64.150 63.200 -0.056 0.000 1.048 251 S HN 0.205 nan 8.310 nan 0.000 0.452 252 Q N 1.787 121.581 119.800 -0.010 0.000 2.219 252 Q HA 0.175 4.514 4.340 -0.002 0.000 0.209 252 Q C 0.959 176.975 176.000 0.027 0.000 0.854 252 Q CA 0.076 55.883 55.803 0.007 0.000 0.960 252 Q CB 0.827 29.564 28.738 -0.002 0.000 1.116 252 Q HN 0.775 nan 8.270 nan 0.000 0.500 253 T N 0.808 115.375 114.554 0.023 0.000 2.680 253 T HA 0.064 4.413 4.350 -0.002 0.000 0.314 253 T C -0.014 174.723 174.700 0.061 0.000 1.045 253 T CA 0.070 62.190 62.100 0.034 0.000 1.025 253 T CB 0.618 69.499 68.868 0.022 0.000 1.000 253 T HN 0.026 nan 8.240 nan 0.000 0.535 254 K N 1.660 122.099 120.400 0.066 0.000 2.182 254 K HA 0.507 4.826 4.320 -0.002 0.000 0.262 254 K C -1.420 175.232 176.600 0.088 0.000 0.957 254 K CA -0.791 55.549 56.287 0.088 0.000 0.842 254 K CB 0.719 33.267 32.500 0.080 0.000 1.099 254 K HN 0.357 nan 8.250 nan 0.000 0.438 255 L N 4.016 125.310 121.223 0.118 0.000 2.307 255 L HA 0.253 4.592 4.340 -0.002 0.000 0.284 255 L C -0.561 176.344 176.870 0.058 0.000 1.023 255 L CA -0.584 54.320 54.840 0.106 0.000 0.810 255 L CB 1.579 43.740 42.059 0.170 0.000 1.231 255 L HN 0.577 nan 8.230 nan 0.000 0.423 256 Q N 2.203 122.013 119.800 0.016 0.000 2.282 256 Q HA 0.166 4.505 4.340 -0.002 0.000 0.276 256 Q C -0.477 175.472 176.000 -0.086 0.000 1.198 256 Q CA 0.383 56.168 55.803 -0.031 0.000 0.943 256 Q CB -0.748 27.971 28.738 -0.032 0.000 1.275 256 Q HN 0.594 nan 8.270 nan 0.000 0.424 257 E N 0.974 121.090 120.200 -0.140 0.000 2.227 257 E HA 0.545 4.894 4.350 -0.002 0.000 0.268 257 E C -1.023 175.284 176.600 -0.488 0.000 0.907 257 E CA -1.247 55.010 56.400 -0.238 0.000 0.786 257 E CB 1.924 31.566 29.700 -0.098 0.000 1.191 257 E HN 0.345 nan 8.360 nan 0.000 0.411 258 K N 2.895 123.061 120.400 -0.390 0.000 2.244 258 K HA 0.352 4.671 4.320 -0.002 0.000 0.260 258 K C -1.594 174.865 176.600 -0.235 0.000 0.951 258 K CA -0.589 55.490 56.287 -0.346 0.000 0.826 258 K CB 0.958 33.375 32.500 -0.140 0.000 1.108 258 K HN 0.700 nan 8.250 nan 0.000 0.433 259 Y N 0.080 120.384 120.300 0.007 0.000 2.562 259 Y HA 0.513 5.062 4.550 -0.002 0.000 0.345 259 Y C -0.979 174.865 175.900 -0.094 0.000 1.045 259 Y CA -1.555 56.538 58.100 -0.012 0.000 1.028 259 Y CB 1.585 40.047 38.460 0.002 0.000 1.297 259 Y HN 0.435 nan 8.280 nan 0.000 0.463 260 N N 0.614 119.325 118.700 0.019 0.000 2.240 260 N HA 0.662 5.401 4.740 -0.002 0.000 0.302 260 N C -1.513 173.508 175.510 -0.814 0.000 1.106 260 N CA -0.858 51.966 53.050 -0.376 0.000 0.778 260 N CB 2.311 40.605 38.487 -0.321 0.000 1.431 260 N HN 0.767 nan 8.380 nan 0.000 0.479 261 S N -0.158 114.852 115.700 -1.150 0.000 2.569 261 S HA 0.690 5.159 4.470 -0.002 0.000 0.280 261 S C -1.533 172.306 174.600 -1.269 0.000 1.111 261 S CA -0.881 56.681 58.200 -1.063 0.000 0.887 261 S CB 1.703 64.623 63.200 -0.467 0.000 1.095 261 S HN 0.541 nan 8.310 nan 0.000 0.476 262 W N -0.156 120.940 121.300 -0.340 0.000 3.060 262 W HA 0.446 5.105 4.660 -0.001 0.000 0.346 262 W C -1.102 175.287 176.519 -0.217 0.000 1.194 262 W CA -0.715 56.554 57.345 -0.126 0.000 1.105 262 W CB 1.399 30.903 29.460 0.074 0.000 1.487 262 W HN 0.786 nan 8.180 nan 0.000 0.592 263 H N -0.615 118.547 119.070 0.153 0.000 2.823 263 H HA 0.278 4.833 4.556 -0.002 0.000 0.332 263 H C -0.641 174.800 175.328 0.189 0.000 0.980 263 H CA -0.369 55.721 56.048 0.070 0.000 1.286 263 H CB 0.853 30.690 29.762 0.125 0.000 1.541 263 H HN 0.281 nan 8.280 nan 0.000 0.521 264 H N 3.255 122.414 119.070 0.148 0.000 2.540 264 H HA 0.447 5.002 4.556 -0.001 0.000 0.264 264 H C 0.915 176.292 175.328 0.082 0.000 1.427 264 H CA -0.179 55.923 56.048 0.090 0.000 1.103 264 H CB 0.382 30.163 29.762 0.032 0.000 1.572 264 H HN 0.970 nan 8.280 nan 0.000 0.511 265 G N 0.713 109.636 108.800 0.205 0.000 2.500 265 G HA2 -0.226 3.734 3.960 -0.002 0.000 0.209 265 G HA3 -0.226 3.734 3.960 -0.002 0.000 0.209 265 G C -1.257 173.698 174.900 0.092 0.000 1.283 265 G CA -1.026 44.148 45.100 0.123 0.000 0.960 265 G HN 0.330 nan 8.290 nan 0.000 0.528 266 D N 0.354 120.774 120.400 0.033 0.000 2.382 266 D HA 0.476 5.115 4.640 -0.002 0.000 0.245 266 D C 0.963 177.269 176.300 0.009 0.000 1.120 266 D CA 0.305 54.259 54.000 -0.075 0.000 0.890 266 D CB -0.001 40.744 40.800 -0.091 0.000 1.201 266 D HN 0.568 nan 8.370 nan 0.000 0.433 267 F N 0.247 120.259 119.950 0.104 0.000 3.019 267 F HA -0.289 4.237 4.527 -0.002 0.000 0.259 267 F C 0.546 176.339 175.800 -0.012 0.000 0.976 267 F CA 0.442 58.450 58.000 0.013 0.000 0.876 267 F CB -1.603 37.395 39.000 -0.004 0.000 0.784 267 F HN 0.258 nan 8.300 nan 0.000 0.786 268 N N 0.380 119.128 118.700 0.080 0.000 2.324 268 N HA 0.583 5.322 4.740 -0.002 0.000 0.285 268 N C -1.656 173.804 175.510 -0.082 0.000 1.076 268 N CA -0.796 52.270 53.050 0.025 0.000 0.864 268 N CB 1.759 40.275 38.487 0.049 0.000 1.632 268 N HN 0.159 nan 8.380 nan 0.000 0.478 269 Y N 0.693 120.826 120.300 -0.278 0.000 2.592 269 Y HA 0.469 5.018 4.550 -0.001 0.000 0.334 269 Y C -1.736 174.015 175.900 -0.248 0.000 1.136 269 Y CA -0.614 57.249 58.100 -0.395 0.000 1.042 269 Y CB 1.434 39.641 38.460 -0.422 0.000 1.325 269 Y HN 0.558 nan 8.280 nan 0.000 0.457 270 E N 5.288 124.969 120.200 -0.867 0.000 2.331 270 E HA 0.471 4.820 4.350 -0.002 0.000 0.275 270 E C -1.922 174.364 176.600 -0.524 0.000 0.895 270 E CA -1.008 55.148 56.400 -0.406 0.000 0.753 270 E CB 2.165 31.778 29.700 -0.146 0.000 1.216 270 E HN 0.802 nan 8.360 nan 0.000 0.434 271 R N 3.026 123.444 120.500 -0.135 0.000 2.795 271 R HA 0.366 4.705 4.340 -0.002 0.000 0.275 271 R C -1.338 175.039 176.300 0.129 0.000 0.981 271 R CA -0.451 55.611 56.100 -0.063 0.000 0.917 271 R CB 1.941 32.285 30.300 0.073 0.000 1.202 271 R HN 0.563 nan 8.270 nan 0.000 0.469 272 Q N 1.993 121.891 119.800 0.163 0.000 2.616 272 Q HA 0.385 4.724 4.340 -0.002 0.000 0.250 272 Q C -1.379 174.779 176.000 0.263 0.000 0.991 272 Q CA -0.523 55.431 55.803 0.251 0.000 0.707 272 Q CB 2.218 31.184 28.738 0.379 0.000 1.247 272 Q HN 0.669 nan 8.270 nan 0.000 0.491 273 A N 1.908 124.908 122.820 0.299 0.000 2.276 273 A HA 0.490 4.809 4.320 -0.002 0.000 0.300 273 A C -0.103 177.705 177.584 0.373 0.000 1.235 273 A CA -0.188 52.073 52.037 0.373 0.000 0.867 273 A CB 0.967 20.229 19.000 0.436 0.000 1.137 273 A HN 0.407 nan 8.150 nan 0.000 0.527 274 T N 3.309 117.985 114.554 0.203 0.000 2.770 274 T HA 0.489 4.838 4.350 -0.002 0.000 0.283 274 T C -0.640 173.995 174.700 -0.109 0.000 0.988 274 T CA -0.482 61.679 62.100 0.102 0.000 0.957 274 T CB 0.158 69.053 68.868 0.044 0.000 0.930 274 T HN 0.781 nan 8.240 nan 0.000 0.443 275 L N 5.087 126.086 121.223 -0.373 0.000 2.307 275 L HA 0.832 5.171 4.340 -0.002 0.000 0.282 275 L C -0.216 176.291 176.870 -0.605 0.000 1.051 275 L CA 0.259 54.732 54.840 -0.611 0.000 0.804 275 L CB 1.794 43.103 42.059 -1.251 0.000 1.197 275 L HN 0.699 nan 8.230 nan 0.000 0.431 276 T N 5.512 119.819 114.554 -0.411 0.000 2.933 276 T HA 0.637 4.986 4.350 -0.002 0.000 0.305 276 T C -1.347 173.246 174.700 -0.179 0.000 1.092 276 T CA -0.460 61.423 62.100 -0.361 0.000 1.008 276 T CB 0.823 69.544 68.868 -0.245 0.000 1.102 276 T HN 0.432 nan 8.240 nan 0.000 0.469 277 I N 3.912 124.428 120.570 -0.090 0.000 2.437 277 I HA 0.399 4.569 4.170 -0.002 0.000 0.279 277 I C 0.971 177.108 176.117 0.034 0.000 1.028 277 I CA -0.871 60.451 61.300 0.037 0.000 1.142 277 I CB 0.450 38.552 38.000 0.170 0.000 1.266 277 I HN 0.864 nan 8.210 nan 0.000 0.461 278 S N 3.856 119.562 115.700 0.009 0.000 2.488 278 S HA 0.306 4.775 4.470 -0.002 0.000 0.278 278 S C 0.761 175.379 174.600 0.031 0.000 1.259 278 S CA 0.184 58.393 58.200 0.014 0.000 1.061 278 S CB 0.183 63.384 63.200 0.002 0.000 0.910 278 S HN 0.799 nan 8.310 nan 0.000 0.491 279 S N 1.149 116.875 115.700 0.043 0.000 3.368 279 S HA 0.028 4.497 4.470 -0.002 0.000 0.470 279 S C 0.214 174.843 174.600 0.048 0.000 0.774 279 S CA 0.184 58.412 58.200 0.047 0.000 1.368 279 S CB -1.565 61.656 63.200 0.034 0.000 0.978 279 S HN 2.297 nan 8.310 nan 0.000 0.717 280 A N 4.883 127.739 122.820 0.060 0.000 2.363 280 A HA 0.752 5.071 4.320 -0.002 0.000 0.270 280 A C 0.368 177.969 177.584 0.029 0.000 1.121 280 A CA -0.337 51.725 52.037 0.042 0.000 0.800 280 A CB 0.531 19.552 19.000 0.035 0.000 1.052 280 A HN 0.766 nan 8.150 nan 0.000 0.493 281 R N 1.141 121.651 120.500 0.016 0.000 2.536 281 R HA 0.443 4.783 4.340 -0.002 0.000 0.279 281 R C 1.284 177.582 176.300 -0.004 0.000 1.001 281 R CA -0.619 55.487 56.100 0.010 0.000 1.027 281 R CB 0.640 30.946 30.300 0.010 0.000 1.096 281 R HN 0.421 nan 8.270 nan 0.000 0.502 282 V N 1.703 121.613 119.914 -0.007 0.000 2.282 282 V HA -0.318 3.801 4.120 -0.002 0.000 0.249 282 V C 1.713 177.789 176.094 -0.030 0.000 1.057 282 V CA 2.264 64.551 62.300 -0.022 0.000 1.032 282 V CB -0.692 31.117 31.823 -0.023 0.000 0.645 282 V HN 0.856 nan 8.190 nan 0.000 0.447 283 N N -0.223 118.463 118.700 -0.023 0.000 2.609 283 N HA -0.181 4.558 4.740 -0.002 0.000 0.190 283 N C 1.054 176.548 175.510 -0.027 0.000 1.157 283 N CA 1.191 54.225 53.050 -0.027 0.000 0.918 283 N CB -0.485 37.989 38.487 -0.021 0.000 0.978 283 N HN 0.454 nan 8.380 nan 0.000 0.448 284 D N 0.274 120.662 120.400 -0.021 0.000 2.349 284 D HA 0.092 4.731 4.640 -0.002 0.000 0.215 284 D C 0.129 176.422 176.300 -0.012 0.000 1.016 284 D CA 0.081 54.079 54.000 -0.005 0.000 0.870 284 D CB 0.319 41.117 40.800 -0.004 0.000 0.917 284 D HN 0.163 nan 8.370 nan 0.000 0.524 285 S N -0.600 115.074 115.700 -0.043 0.000 2.658 285 S HA 0.449 4.918 4.470 -0.002 0.000 0.249 285 S C 0.931 175.508 174.600 -0.039 0.000 1.363 285 S CA 0.331 58.501 58.200 -0.049 0.000 0.964 285 S CB 0.587 63.752 63.200 -0.058 0.000 0.973 285 S HN 0.480 nan 8.310 nan 0.000 0.588 286 G N -1.368 107.415 108.800 -0.030 0.000 2.483 286 G HA2 -0.007 3.952 3.960 -0.002 0.000 0.521 286 G HA3 -0.007 3.952 3.960 -0.002 0.000 0.521 286 G C -1.163 173.730 174.900 -0.013 0.000 1.278 286 G CA -0.574 44.487 45.100 -0.065 0.000 0.965 286 G HN 0.784 nan 8.290 nan 0.000 0.504 287 V N 0.312 120.171 119.914 -0.092 0.000 2.617 287 V HA 0.808 4.927 4.120 -0.002 0.000 0.298 287 V C -0.076 175.942 176.094 -0.127 0.000 1.048 287 V CA -0.249 62.068 62.300 0.028 0.000 0.964 287 V CB 1.363 33.208 31.823 0.037 0.000 1.004 287 V HN 0.628 nan 8.190 nan 0.000 0.466 288 F N 3.195 123.224 119.950 0.130 0.000 2.577 288 F HA 0.705 5.232 4.527 -0.001 0.000 0.318 288 F C 0.024 176.064 175.800 0.399 0.000 1.065 288 F CA -0.671 57.486 58.000 0.262 0.000 0.929 288 F CB 2.050 41.198 39.000 0.246 0.000 1.237 288 F HN 0.292 nan 8.300 nan 0.000 0.468 289 M N 2.880 122.831 119.600 0.586 0.000 2.386 289 M HA 0.480 4.959 4.480 -0.002 0.000 0.293 289 M C -1.894 174.452 176.300 0.077 0.000 1.120 289 M CA -0.430 55.061 55.300 0.318 0.000 0.909 289 M CB 1.767 34.469 32.600 0.171 0.000 1.661 289 M HN 0.803 nan 8.290 nan 0.000 0.452 290 c N 4.942 123.363 118.600 -0.299 0.000 2.350 290 c HA 0.650 5.219 4.570 -0.002 0.000 0.348 290 c C -1.241 172.780 174.090 -0.115 0.000 1.260 290 c CA -0.146 55.810 56.329 -0.620 0.000 1.966 290 c CB 0.379 42.312 42.510 -0.963 0.000 2.380 290 c HN 0.829 nan 8.230 nan 0.000 0.535 291 Y N 4.470 124.663 120.300 -0.178 0.000 2.373 291 Y HA 0.651 5.200 4.550 -0.001 0.000 0.336 291 Y C -0.282 175.628 175.900 0.017 0.000 0.979 291 Y CA -0.449 57.632 58.100 -0.031 0.000 1.080 291 Y CB 1.224 39.715 38.460 0.052 0.000 1.190 291 Y HN 0.952 nan 8.280 nan 0.000 0.446 292 A N 4.754 127.284 122.820 -0.483 0.000 2.355 292 A HA 0.709 5.028 4.320 -0.002 0.000 0.324 292 A C -1.418 175.805 177.584 -0.602 0.000 1.117 292 A CA -0.725 51.089 52.037 -0.371 0.000 0.785 292 A CB 1.040 19.929 19.000 -0.186 0.000 1.254 292 A HN 0.769 nan 8.150 nan 0.000 0.453 293 N N 0.950 119.452 118.700 -0.330 0.000 2.655 293 N HA 0.197 4.936 4.740 -0.002 0.000 0.277 293 N C -1.082 174.299 175.510 -0.215 0.000 1.177 293 N CA -0.326 52.533 53.050 -0.319 0.000 0.882 293 N CB 0.865 39.117 38.487 -0.392 0.000 1.481 293 N HN 0.911 nan 8.380 nan 0.000 0.547 294 N N -0.103 118.431 118.700 -0.277 0.000 2.741 294 N HA 0.377 5.116 4.740 -0.002 0.000 0.310 294 N C -0.697 174.543 175.510 -0.450 0.000 1.295 294 N CA -0.803 51.898 53.050 -0.582 0.000 0.893 294 N CB 0.880 38.815 38.487 -0.921 0.000 1.247 294 N HN 0.070 nan 8.380 nan 0.000 0.596 295 T N 0.897 115.059 114.554 -0.652 0.000 4.492 295 T HA 0.085 4.435 4.350 -0.002 0.000 0.222 295 T C -0.892 173.832 174.700 0.041 0.000 0.836 295 T CA 0.330 62.289 62.100 -0.235 0.000 0.900 295 T CB -1.332 67.445 68.868 -0.152 0.000 1.399 295 T HN 0.522 nan 8.240 nan 0.000 0.877 296 F N -0.929 118.938 119.950 -0.139 0.000 2.405 296 F HA 0.337 4.863 4.527 -0.001 0.000 0.432 296 F C 0.364 176.138 175.800 -0.043 0.000 0.846 296 F CA 0.423 58.396 58.000 -0.045 0.000 0.820 296 F CB -0.033 38.983 39.000 0.027 0.000 1.191 296 F HN 0.361 nan 8.300 nan 0.000 0.569 297 G N 0.389 109.368 108.800 0.298 0.000 2.489 297 G HA2 0.519 4.478 3.960 -0.002 0.000 0.305 297 G HA3 0.519 4.478 3.960 -0.002 0.000 0.305 297 G C -1.644 173.286 174.900 0.050 0.000 1.311 297 G CA -0.016 45.209 45.100 0.209 0.000 0.813 297 G HN 0.240 nan 8.290 nan 0.000 0.480 298 S N -1.482 114.251 115.700 0.056 0.000 2.632 298 S HA 0.922 5.391 4.470 -0.002 0.000 0.289 298 S C -0.589 174.015 174.600 0.006 0.000 1.115 298 S CA 0.010 58.201 58.200 -0.015 0.000 0.889 298 S CB 1.874 65.210 63.200 0.227 0.000 1.116 298 S HN 1.875 nan 8.310 nan 0.000 0.486 299 A N 2.467 125.255 122.820 -0.054 0.000 2.465 299 A HA 0.703 5.022 4.320 -0.002 0.000 0.292 299 A C -1.162 176.469 177.584 0.077 0.000 1.041 299 A CA -0.939 51.105 52.037 0.012 0.000 0.718 299 A CB 0.825 19.805 19.000 -0.033 0.000 1.266 299 A HN 0.770 nan 8.150 nan 0.000 0.403 300 N N 0.103 118.872 118.700 0.115 0.000 2.362 300 N HA 0.743 5.482 4.740 -0.002 0.000 0.299 300 N C -0.925 174.626 175.510 0.070 0.000 1.170 300 N CA -0.637 52.491 53.050 0.129 0.000 0.825 300 N CB 1.883 40.456 38.487 0.143 0.000 1.299 300 N HN 1.161 nan 8.380 nan 0.000 0.502 301 V N -2.972 116.977 119.914 0.057 0.000 2.809 301 V HA 0.627 4.746 4.120 -0.002 0.000 0.290 301 V C -0.422 175.733 176.094 0.102 0.000 1.305 301 V CA -0.920 61.417 62.300 0.063 0.000 0.939 301 V CB 0.518 32.358 31.823 0.028 0.000 1.081 301 V HN 1.046 nan 8.190 nan 0.000 0.439 302 T N -0.466 114.183 114.554 0.158 0.000 2.949 302 T HA 0.888 5.237 4.350 -0.002 0.000 0.287 302 T C -0.135 174.738 174.700 0.289 0.000 1.034 302 T CA -0.432 61.811 62.100 0.238 0.000 1.018 302 T CB 2.137 71.117 68.868 0.187 0.000 1.135 302 T HN 1.466 nan 8.240 nan 0.000 0.532 303 T N 0.466 115.241 114.554 0.368 0.000 3.293 303 T HA 0.448 4.797 4.350 -0.002 0.000 0.320 303 T C -0.723 174.172 174.700 0.325 0.000 0.995 303 T CA -0.475 61.839 62.100 0.357 0.000 1.041 303 T CB 1.237 70.363 68.868 0.430 0.000 1.058 303 T HN 1.006 nan 8.240 nan 0.000 0.453 304 T N 5.359 120.062 114.554 0.248 0.000 2.856 304 T HA 0.614 4.963 4.350 -0.002 0.000 0.292 304 T C -0.230 174.552 174.700 0.138 0.000 0.980 304 T CA -0.632 61.581 62.100 0.189 0.000 1.091 304 T CB 0.401 69.348 68.868 0.133 0.000 0.936 304 T HN 0.669 nan 8.240 nan 0.000 0.503 305 L N 4.127 125.380 121.223 0.051 0.000 2.334 305 L HA 0.657 4.996 4.340 -0.002 0.000 0.276 305 L C -0.362 176.478 176.870 -0.049 0.000 1.014 305 L CA -0.678 54.101 54.840 -0.101 0.000 0.815 305 L CB 1.645 43.416 42.059 -0.480 0.000 1.268 305 L HN 0.801 nan 8.230 nan 0.000 0.428 306 E N 3.807 123.984 120.200 -0.038 0.000 2.402 306 E HA 0.319 4.668 4.350 -0.002 0.000 0.244 306 E C -1.652 174.901 176.600 -0.080 0.000 0.945 306 E CA -0.546 55.822 56.400 -0.052 0.000 0.774 306 E CB 1.674 31.354 29.700 -0.035 0.000 1.296 306 E HN 0.437 nan 8.360 nan 0.000 0.414 307 V N 3.933 123.797 119.914 -0.083 0.000 2.686 307 V HA 0.347 4.466 4.120 -0.002 0.000 0.295 307 V C 0.312 176.355 176.094 -0.086 0.000 1.057 307 V CA -0.408 61.851 62.300 -0.067 0.000 1.012 307 V CB 1.362 33.157 31.823 -0.045 0.000 1.006 307 V HN 0.524 nan 8.190 nan 0.000 0.477 308 V N 1.006 120.874 119.914 -0.077 0.000 3.001 308 V HA 0.620 4.739 4.120 -0.002 0.000 0.314 308 V C 0.361 176.457 176.094 0.002 0.000 1.099 308 V CA -0.590 61.666 62.300 -0.073 0.000 0.989 308 V CB 1.940 33.699 31.823 -0.107 0.000 1.040 308 V HN 0.780 nan 8.190 nan 0.000 0.434 309 D N 1.430 121.834 120.400 0.006 0.000 2.249 309 D HA 0.289 4.928 4.640 -0.002 0.000 0.205 309 D C 0.679 177.022 176.300 0.072 0.000 0.962 309 D CA 1.674 55.694 54.000 0.033 0.000 0.860 309 D CB -0.119 40.690 40.800 0.015 0.000 0.955 309 D HN 1.092 nan 8.370 nan 0.000 0.505 310 K N 0.173 120.633 120.400 0.099 0.000 2.556 310 K HA 0.687 5.006 4.320 -0.002 0.000 0.274 310 K C 0.142 176.899 176.600 0.261 0.000 0.966 310 K CA -0.563 55.816 56.287 0.153 0.000 0.865 310 K CB 0.719 33.288 32.500 0.115 0.000 1.444 310 K HN 0.207 nan 8.250 nan 0.000 0.433 311 G N 0.171 109.165 108.800 0.323 0.000 2.634 311 G HA2 0.662 4.621 3.960 -0.002 0.000 0.255 311 G HA3 0.662 4.621 3.960 -0.002 0.000 0.255 311 G C -0.223 174.961 174.900 0.473 0.000 1.205 311 G CA 0.198 45.585 45.100 0.478 0.000 0.884 311 G HN 1.438 nan 8.290 nan 0.000 0.549 312 F N -1.567 118.502 119.950 0.198 0.000 2.643 312 F HA 0.771 5.297 4.527 -0.001 0.000 0.314 312 F C -1.064 174.828 175.800 0.154 0.000 1.096 312 F CA -2.283 55.799 58.000 0.136 0.000 0.953 312 F CB 1.616 40.679 39.000 0.104 0.000 1.345 312 F HN 0.246 nan 8.300 nan 0.000 0.468 313 I N 2.676 123.356 120.570 0.184 0.000 2.529 313 I HA 0.344 4.513 4.170 -0.002 0.000 0.284 313 I C -1.574 174.635 176.117 0.154 0.000 1.088 313 I CA -0.827 60.535 61.300 0.105 0.000 1.062 313 I CB 1.157 39.181 38.000 0.039 0.000 1.218 313 I HN 0.662 nan 8.210 nan 0.000 0.442 314 N N 6.194 124.997 118.700 0.171 0.000 2.314 314 N HA 0.730 5.469 4.740 -0.002 0.000 0.304 314 N C -0.729 174.672 175.510 -0.181 0.000 1.073 314 N CA -0.465 52.659 53.050 0.125 0.000 0.822 314 N CB 2.559 41.247 38.487 0.335 0.000 1.280 314 N HN 0.423 nan 8.380 nan 0.000 0.489 315 I N 1.443 121.901 120.570 -0.186 0.000 2.603 315 I HA 0.530 4.699 4.170 -0.002 0.000 0.300 315 I C -1.166 174.830 176.117 -0.202 0.000 1.017 315 I CA -0.869 60.224 61.300 -0.346 0.000 1.098 315 I CB 1.178 39.116 38.000 -0.103 0.000 1.279 315 I HN 0.310 nan 8.210 nan 0.000 0.437 316 F N 5.143 125.176 119.950 0.139 0.000 2.579 316 F HA 0.526 5.052 4.527 -0.002 0.000 0.325 316 F C -2.452 173.414 175.800 0.111 0.000 1.162 316 F CA -2.701 55.359 58.000 0.101 0.000 0.946 316 F CB 0.792 39.846 39.000 0.091 0.000 1.211 316 F HN 0.175 nan 8.300 nan 0.000 0.447 317 P HA 0.371 nan 4.420 nan 0.000 0.307 317 P C 0.418 177.847 177.300 0.215 0.000 1.306 317 P CA -0.049 63.182 63.100 0.217 0.000 0.742 317 P CB 0.790 32.554 31.700 0.107 0.000 1.349 318 M N -0.876 118.863 119.600 0.232 0.000 2.329 318 M HA 0.278 4.758 4.480 -0.002 0.000 0.244 318 M C 1.566 177.943 176.300 0.128 0.000 1.156 318 M CA 1.416 56.823 55.300 0.177 0.000 1.192 318 M CB -0.956 31.757 32.600 0.187 0.000 1.241 318 M HN 0.418 nan 8.290 nan 0.000 0.465 319 I N -1.438 119.208 120.570 0.127 0.000 3.580 319 I HA 0.321 4.490 4.170 -0.002 0.000 0.296 319 I C -0.737 175.401 176.117 0.035 0.000 1.146 319 I CA -1.190 60.153 61.300 0.071 0.000 1.051 319 I CB 1.952 39.989 38.000 0.062 0.000 1.364 319 I HN 0.636 nan 8.210 nan 0.000 0.482 320 N N 1.078 119.782 118.700 0.006 0.000 2.292 320 N HA -0.043 4.696 4.740 -0.002 0.000 0.258 320 N C -0.070 175.403 175.510 -0.063 0.000 1.261 320 N CA 0.528 53.559 53.050 -0.032 0.000 0.845 320 N CB 0.368 38.840 38.487 -0.025 0.000 1.064 320 N HN 0.513 nan 8.380 nan 0.000 0.471 321 T N -1.206 113.235 114.554 -0.190 0.000 3.609 321 T HA 0.029 4.378 4.350 -0.002 0.000 0.245 321 T C 0.060 174.684 174.700 -0.126 0.000 0.980 321 T CA -0.262 61.612 62.100 -0.378 0.000 0.940 321 T CB -0.512 67.976 68.868 -0.633 0.000 1.105 321 T HN 0.284 nan 8.240 nan 0.000 0.627 322 T N 1.665 116.208 114.554 -0.018 0.000 3.068 322 T HA 0.452 4.801 4.350 -0.002 0.000 0.364 322 T C -0.073 174.708 174.700 0.135 0.000 1.161 322 T CA -0.589 61.518 62.100 0.012 0.000 1.155 322 T CB 0.984 69.884 68.868 0.053 0.000 1.060 322 T HN 0.192 nan 8.240 nan 0.000 0.513 323 V N 3.414 123.422 119.914 0.156 0.000 2.644 323 V HA 0.564 4.683 4.120 -0.002 0.000 0.295 323 V C -0.373 175.988 176.094 0.445 0.000 1.053 323 V CA -0.718 61.722 62.300 0.234 0.000 0.987 323 V CB 1.188 33.084 31.823 0.121 0.000 1.006 323 V HN 0.764 nan 8.190 nan 0.000 0.472 324 F N 2.406 122.369 119.950 0.021 0.000 2.482 324 F HA 0.739 5.265 4.527 -0.002 0.000 0.331 324 F C 0.048 175.858 175.800 0.016 0.000 1.115 324 F CA -0.676 57.355 58.000 0.051 0.000 0.955 324 F CB 2.133 41.188 39.000 0.092 0.000 1.136 324 F HN 0.236 nan 8.300 nan 0.000 0.452 325 V N 1.645 121.596 119.914 0.063 0.000 3.087 325 V HA 0.557 4.676 4.120 -0.002 0.000 0.311 325 V C -1.084 175.012 176.094 0.003 0.000 1.333 325 V CA -1.069 61.243 62.300 0.020 0.000 1.054 325 V CB 2.487 34.286 31.823 -0.041 0.000 1.123 325 V HN 0.650 nan 8.190 nan 0.000 0.473 326 N N 0.517 119.211 118.700 -0.009 0.000 2.324 326 N HA 0.216 4.955 4.740 -0.002 0.000 0.285 326 N C -1.559 173.940 175.510 -0.018 0.000 1.076 326 N CA -0.585 52.462 53.050 -0.005 0.000 0.864 326 N CB 1.994 40.490 38.487 0.015 0.000 1.632 326 N HN 0.843 nan 8.380 nan 0.000 0.478 327 D N 0.759 121.148 120.400 -0.018 0.000 2.772 327 D HA -0.001 4.638 4.640 -0.002 0.000 0.227 327 D C 1.201 177.491 176.300 -0.017 0.000 1.114 327 D CA 2.204 56.192 54.000 -0.020 0.000 0.832 327 D CB 0.280 41.073 40.800 -0.012 0.000 1.154 327 D HN 0.841 nan 8.370 nan 0.000 0.514 328 G N 3.225 112.012 108.800 -0.022 0.000 2.199 328 G HA2 -0.291 3.668 3.960 -0.002 0.000 0.254 328 G HA3 -0.291 3.668 3.960 -0.002 0.000 0.254 328 G C 0.484 175.369 174.900 -0.025 0.000 0.982 328 G CA 0.494 45.582 45.100 -0.020 0.000 0.632 328 G HN 0.585 nan 8.290 nan 0.000 0.529 329 E N 0.673 120.855 120.200 -0.029 0.000 2.349 329 E HA 0.599 4.949 4.350 -0.002 0.000 0.262 329 E C 0.496 177.065 176.600 -0.052 0.000 1.088 329 E CA -0.347 56.032 56.400 -0.034 0.000 0.899 329 E CB 0.439 30.124 29.700 -0.025 0.000 1.044 329 E HN 0.450 nan 8.360 nan 0.000 0.420 330 N N -0.291 118.373 118.700 -0.059 0.000 2.483 330 N HA 0.699 5.438 4.740 -0.002 0.000 0.285 330 N C -1.477 173.973 175.510 -0.100 0.000 1.210 330 N CA -0.748 52.252 53.050 -0.084 0.000 0.931 330 N CB 1.880 40.313 38.487 -0.090 0.000 1.220 330 N HN 0.149 nan 8.380 nan 0.000 0.542 331 V N -0.148 119.685 119.914 -0.135 0.000 2.971 331 V HA 0.288 4.407 4.120 -0.002 0.000 0.281 331 V C -2.131 173.850 176.094 -0.187 0.000 1.470 331 V CA -0.739 61.474 62.300 -0.146 0.000 0.966 331 V CB 1.958 33.695 31.823 -0.143 0.000 1.156 331 V HN 0.661 nan 8.190 nan 0.000 0.441 332 D N 5.780 126.077 120.400 -0.171 0.000 2.350 332 D HA 0.613 5.252 4.640 -0.002 0.000 0.245 332 D C -0.668 175.513 176.300 -0.198 0.000 1.036 332 D CA -0.173 53.730 54.000 -0.160 0.000 0.848 332 D CB 2.599 43.347 40.800 -0.087 0.000 1.307 332 D HN 0.534 nan 8.370 nan 0.000 0.469 333 L N 1.844 122.856 121.223 -0.352 0.000 2.317 333 L HA 0.607 4.946 4.340 -0.002 0.000 0.281 333 L C 0.037 176.721 176.870 -0.311 0.000 1.024 333 L CA -0.981 53.570 54.840 -0.482 0.000 0.810 333 L CB 1.429 42.901 42.059 -0.979 0.000 1.240 333 L HN 0.315 nan 8.230 nan 0.000 0.427 334 I N 1.514 122.031 120.570 -0.087 0.000 2.571 334 I HA 0.736 4.905 4.170 -0.002 0.000 0.289 334 I C -0.633 175.577 176.117 0.155 0.000 1.115 334 I CA -0.855 60.482 61.300 0.060 0.000 1.045 334 I CB 2.060 40.115 38.000 0.091 0.000 1.238 334 I HN 0.374 nan 8.210 nan 0.000 0.424 335 V N 1.859 121.836 119.914 0.105 0.000 2.960 335 V HA 0.760 4.879 4.120 -0.002 0.000 0.315 335 V C -0.674 175.451 176.094 0.051 0.000 1.087 335 V CA -0.325 62.026 62.300 0.086 0.000 0.982 335 V CB 2.106 33.895 31.823 -0.056 0.000 1.039 335 V HN 0.965 nan 8.190 nan 0.000 0.437 336 E N 1.538 121.804 120.200 0.110 0.000 2.369 336 E HA 0.796 5.145 4.350 -0.002 0.000 0.270 336 E C -1.933 174.690 176.600 0.038 0.000 0.909 336 E CA -0.612 55.844 56.400 0.093 0.000 0.775 336 E CB 2.738 32.513 29.700 0.126 0.000 1.270 336 E HN 0.951 nan 8.360 nan 0.000 0.445 337 Y N -2.154 117.984 120.300 -0.270 0.000 2.732 337 Y HA 0.402 4.951 4.550 -0.002 0.000 0.342 337 Y C -1.262 174.553 175.900 -0.143 0.000 1.203 337 Y CA -1.248 56.569 58.100 -0.472 0.000 1.092 337 Y CB 0.583 38.870 38.460 -0.288 0.000 1.345 337 Y HN 0.341 nan 8.280 nan 0.000 0.458 338 E N 1.256 121.428 120.200 -0.046 0.000 2.227 338 E HA 0.864 5.213 4.350 -0.002 0.000 0.268 338 E C -1.146 175.525 176.600 0.120 0.000 0.990 338 E CA -1.272 55.184 56.400 0.093 0.000 0.856 338 E CB 2.093 31.956 29.700 0.271 0.000 1.159 338 E HN 0.897 nan 8.360 nan 0.000 0.401 339 A N 2.121 124.974 122.820 0.056 0.000 2.532 339 A HA 0.569 4.888 4.320 -0.002 0.000 0.296 339 A C -1.885 175.638 177.584 -0.101 0.000 1.058 339 A CA -0.601 51.417 52.037 -0.032 0.000 0.729 339 A CB 0.716 19.783 19.000 0.112 0.000 1.285 339 A HN 0.563 nan 8.150 nan 0.000 0.396 340 F N 3.696 123.342 119.950 -0.506 0.000 2.605 340 F HA 0.659 5.185 4.527 -0.001 0.000 0.320 340 F C -3.007 172.668 175.800 -0.209 0.000 1.159 340 F CA -1.519 56.263 58.000 -0.363 0.000 0.999 340 F CB 2.315 41.024 39.000 -0.484 0.000 1.258 340 F HN 0.424 nan 8.300 nan 0.000 0.464 341 P HA 0.096 nan 4.420 nan 0.000 0.282 341 P C -1.176 175.915 177.300 -0.348 0.000 1.286 341 P CA -0.406 62.202 63.100 -0.821 0.000 0.777 341 P CB 0.402 31.709 31.700 -0.655 0.000 1.184 342 K N 0.646 120.886 120.400 -0.267 0.000 2.586 342 K HA -0.002 4.317 4.320 -0.002 0.000 0.280 342 K C -2.110 174.348 176.600 -0.236 0.000 0.972 342 K CA -0.721 55.469 56.287 -0.162 0.000 1.040 342 K CB -1.142 31.292 32.500 -0.111 0.000 0.870 342 K HN 0.303 nan 8.250 nan 0.000 0.497 343 P HA 0.032 nan 4.420 nan 0.000 0.272 343 P C -0.162 176.987 177.300 -0.252 0.000 1.230 343 P CA 0.160 63.093 63.100 -0.279 0.000 0.788 343 P CB 1.223 32.731 31.700 -0.320 0.000 0.949 344 E N 1.036 121.089 120.200 -0.246 0.000 3.419 344 E HA 0.115 4.464 4.350 -0.002 0.000 0.273 344 E C 0.306 176.711 176.600 -0.326 0.000 0.962 344 E CA -0.114 56.075 56.400 -0.351 0.000 1.015 344 E CB -0.497 28.901 29.700 -0.503 0.000 2.979 344 E HN 0.669 nan 8.360 nan 0.000 0.568 345 H N 2.113 121.130 119.070 -0.090 0.000 3.157 345 H HA 0.350 4.905 4.556 -0.002 0.000 0.260 345 H C -0.544 174.681 175.328 -0.172 0.000 1.232 345 H CA 0.029 56.023 56.048 -0.090 0.000 1.488 345 H CB -0.465 29.241 29.762 -0.092 0.000 1.548 345 H HN 0.392 nan 8.280 nan 0.000 0.487 346 Q N 2.838 122.617 119.800 -0.035 0.000 2.266 346 Q HA 0.475 4.814 4.340 -0.002 0.000 0.261 346 Q C -0.205 175.607 176.000 -0.314 0.000 0.985 346 Q CA -0.838 54.813 55.803 -0.253 0.000 0.873 346 Q CB 2.501 31.246 28.738 0.012 0.000 1.306 346 Q HN 0.688 nan 8.270 nan 0.000 0.447 347 Q N 0.275 119.567 119.800 -0.847 0.000 2.736 347 Q HA 0.324 4.663 4.340 -0.002 0.000 0.273 347 Q C -1.940 173.484 176.000 -0.959 0.000 0.948 347 Q CA -0.874 54.397 55.803 -0.887 0.000 0.854 347 Q CB 0.571 29.131 28.738 -0.297 0.000 1.569 347 Q HN 0.566 nan 8.270 nan 0.000 0.405 348 W N 2.544 123.354 121.300 -0.818 0.000 2.429 348 W HA 0.625 5.284 4.660 -0.002 0.000 0.314 348 W C -0.570 175.959 176.519 0.018 0.000 1.062 348 W CA -0.515 56.631 57.345 -0.332 0.000 1.211 348 W CB 1.449 30.739 29.460 -0.283 0.000 1.305 348 W HN 0.597 nan 8.180 nan 0.000 0.476 349 I N 1.398 122.219 120.570 0.418 0.000 2.447 349 I HA 0.393 4.562 4.170 -0.002 0.000 0.287 349 I C -1.287 175.055 176.117 0.376 0.000 1.023 349 I CA -1.704 59.871 61.300 0.459 0.000 1.083 349 I CB 0.845 38.931 38.000 0.145 0.000 1.245 349 I HN 0.352 nan 8.210 nan 0.000 0.434 350 Y N 8.027 128.345 120.300 0.032 0.000 2.350 350 Y HA 0.608 5.157 4.550 -0.002 0.000 0.340 350 Y C 0.244 175.965 175.900 -0.300 0.000 1.006 350 Y CA -1.408 56.345 58.100 -0.579 0.000 1.166 350 Y CB 0.813 38.474 38.460 -1.331 0.000 1.168 350 Y HN 0.696 nan 8.280 nan 0.000 0.502 351 M N 6.181 125.512 119.600 -0.449 0.000 3.528 351 M HA -0.353 4.126 4.480 -0.002 0.000 0.163 351 M C 0.503 176.645 176.300 -0.263 0.000 1.428 351 M CA 0.799 55.836 55.300 -0.439 0.000 0.934 351 M CB -1.688 30.449 32.600 -0.772 0.000 1.298 351 M HN 0.881 nan 8.290 nan 0.000 0.541 352 N N -0.103 118.522 118.700 -0.125 0.000 2.588 352 N HA -0.245 4.494 4.740 -0.002 0.000 0.245 352 N C 0.213 175.690 175.510 -0.054 0.000 1.211 352 N CA 1.949 54.955 53.050 -0.073 0.000 0.760 352 N CB -0.668 37.775 38.487 -0.073 0.000 1.160 352 N HN 0.886 nan 8.380 nan 0.000 0.569 353 R N -1.635 118.837 120.500 -0.047 0.000 2.574 353 R HA 0.487 4.826 4.340 -0.002 0.000 0.288 353 R C -0.160 176.246 176.300 0.176 0.000 1.004 353 R CA -0.754 55.358 56.100 0.019 0.000 0.895 353 R CB 1.387 31.667 30.300 -0.033 0.000 1.191 353 R HN -0.089 nan 8.270 nan 0.000 0.444 354 T N 1.524 116.186 114.554 0.180 0.000 2.855 354 T HA 0.169 4.518 4.350 -0.002 0.000 0.322 354 T C 0.170 175.108 174.700 0.397 0.000 1.088 354 T CA 0.282 62.536 62.100 0.257 0.000 1.104 354 T CB 0.234 69.167 68.868 0.108 0.000 0.996 354 T HN 0.597 nan 8.240 nan 0.000 0.549 355 F N -0.319 119.724 119.950 0.155 0.000 1.855 355 F HA 0.584 5.110 4.527 -0.001 0.000 0.228 355 F C 0.962 176.866 175.800 0.173 0.000 1.236 355 F CA 0.023 58.120 58.000 0.161 0.000 1.308 355 F CB -0.422 38.695 39.000 0.196 0.000 1.877 355 F HN 0.719 nan 8.300 nan 0.000 0.272 356 T N -0.119 114.187 114.554 -0.413 0.000 2.867 356 T HA 0.535 4.884 4.350 -0.002 0.000 0.286 356 T C 0.381 175.058 174.700 -0.038 0.000 1.022 356 T CA 0.196 62.227 62.100 -0.116 0.000 0.933 356 T CB -0.465 68.420 68.868 0.029 0.000 1.280 356 T HN 0.662 nan 8.240 nan 0.000 0.566 357 D N -1.360 119.047 120.400 0.011 0.000 2.562 357 D HA 0.496 5.135 4.640 -0.002 0.000 0.246 357 D C 0.681 176.827 176.300 -0.257 0.000 1.347 357 D CA 0.666 54.597 54.000 -0.115 0.000 0.800 357 D CB -0.544 40.178 40.800 -0.129 0.000 1.111 357 D HN 0.824 nan 8.370 nan 0.000 0.508 358 K N 1.636 122.015 120.400 -0.035 0.000 2.518 358 K HA 0.554 4.874 4.320 -0.002 0.000 0.244 358 K C -0.340 176.272 176.600 0.020 0.000 1.232 358 K CA -0.672 55.590 56.287 -0.042 0.000 1.189 358 K CB -1.125 31.397 32.500 0.038 0.000 1.737 358 K HN 0.717 nan 8.250 nan 0.000 0.333 359 W N -0.171 121.035 121.300 -0.156 0.000 3.259 359 W HA 0.546 5.206 4.660 -0.001 0.000 0.331 359 W C -1.101 175.381 176.519 -0.062 0.000 1.144 359 W CA -1.110 56.124 57.345 -0.184 0.000 1.227 359 W CB 0.557 29.950 29.460 -0.112 0.000 1.371 359 W HN 0.285 nan 8.180 nan 0.000 0.491 360 E N 1.946 122.221 120.200 0.125 0.000 2.242 360 E HA 0.358 4.707 4.350 -0.002 0.000 0.275 360 E C -1.016 175.828 176.600 0.406 0.000 1.002 360 E CA -0.538 55.962 56.400 0.166 0.000 0.841 360 E CB 1.796 31.570 29.700 0.124 0.000 1.109 360 E HN 0.159 nan 8.360 nan 0.000 0.394 361 D N 1.362 121.987 120.400 0.375 0.000 2.896 361 D HA 0.340 4.979 4.640 -0.002 0.000 0.241 361 D C -1.671 174.830 176.300 0.335 0.000 1.188 361 D CA -0.358 53.853 54.000 0.352 0.000 0.879 361 D CB 1.464 42.520 40.800 0.427 0.000 1.553 361 D HN 0.426 nan 8.370 nan 0.000 0.515 362 Y N -0.418 119.996 120.300 0.190 0.000 2.573 362 Y HA 0.467 5.016 4.550 -0.001 0.000 0.328 362 Y C -3.091 172.902 175.900 0.156 0.000 1.170 362 Y CA -1.812 56.375 58.100 0.146 0.000 1.078 362 Y CB 0.686 39.198 38.460 0.087 0.000 1.341 362 Y HN 0.038 nan 8.280 nan 0.000 0.459 363 P HA 0.116 nan 4.420 nan 0.000 0.272 363 P C -0.313 177.036 177.300 0.081 0.000 1.223 363 P CA -0.127 63.003 63.100 0.050 0.000 0.784 363 P CB 2.160 33.885 31.700 0.041 0.000 0.923 364 K N 0.999 121.348 120.400 -0.084 0.000 2.262 364 K HA -0.010 4.309 4.320 -0.002 0.000 0.200 364 K C 1.780 178.399 176.600 0.032 0.000 1.049 364 K CA 0.935 57.242 56.287 0.032 0.000 0.979 364 K CB 0.107 32.586 32.500 -0.034 0.000 0.773 364 K HN 0.352 nan 8.250 nan 0.000 0.474 365 S N -0.714 114.967 115.700 -0.033 0.000 2.549 365 S HA 0.079 4.548 4.470 -0.002 0.000 0.225 365 S C 0.115 174.709 174.600 -0.009 0.000 1.039 365 S CA -0.000 58.190 58.200 -0.017 0.000 0.942 365 S CB 0.197 63.375 63.200 -0.037 0.000 0.881 365 S HN 0.305 nan 8.310 nan 0.000 0.503 366 E N 0.680 120.873 120.200 -0.012 0.000 3.760 366 E HA -0.179 4.170 4.350 -0.002 0.000 0.317 366 E C -0.162 176.432 176.600 -0.009 0.000 0.730 366 E CA 0.906 57.306 56.400 -0.000 0.000 1.106 366 E CB -1.982 27.726 29.700 0.012 0.000 1.574 366 E HN 0.533 nan 8.360 nan 0.000 0.451 367 N N 1.089 119.779 118.700 -0.017 0.000 2.231 367 N HA -0.050 4.689 4.740 -0.002 0.000 0.223 367 N C 0.850 176.351 175.510 -0.016 0.000 1.329 367 N CA 0.496 53.538 53.050 -0.013 0.000 0.889 367 N CB 0.267 38.747 38.487 -0.012 0.000 1.125 367 N HN 0.003 nan 8.380 nan 0.000 0.447 368 E N -0.608 119.585 120.200 -0.012 0.000 2.411 368 E HA 0.078 4.427 4.350 -0.002 0.000 0.204 368 E C -0.088 176.500 176.600 -0.020 0.000 1.059 368 E CA 0.119 56.508 56.400 -0.018 0.000 1.112 368 E CB -0.040 29.648 29.700 -0.021 0.000 1.168 368 E HN 0.395 nan 8.360 nan 0.000 0.445 369 S N 0.106 115.800 115.700 -0.011 0.000 3.067 369 S HA 0.052 4.521 4.470 -0.002 0.000 0.253 369 S C -0.098 174.502 174.600 0.000 0.000 0.942 369 S CA -0.520 57.684 58.200 0.006 0.000 1.197 369 S CB -0.179 63.033 63.200 0.019 0.000 1.143 369 S HN 0.250 nan 8.310 nan 0.000 0.638 370 N N 1.227 119.902 118.700 -0.043 0.000 2.497 370 N HA 0.255 4.994 4.740 -0.002 0.000 0.271 370 N C 0.171 175.581 175.510 -0.166 0.000 1.142 370 N CA 0.118 53.097 53.050 -0.118 0.000 0.965 370 N CB 0.540 38.916 38.487 -0.184 0.000 1.077 370 N HN 0.304 nan 8.380 nan 0.000 0.462 371 I N 2.652 123.121 120.570 -0.167 0.000 4.338 371 I HA 0.202 4.371 4.170 -0.002 0.000 0.329 371 I C -0.065 175.898 176.117 -0.256 0.000 1.378 371 I CA -0.105 61.131 61.300 -0.108 0.000 1.170 371 I CB -0.002 38.054 38.000 0.093 0.000 1.206 371 I HN 0.479 nan 8.210 nan 0.000 0.432 372 R N 0.269 120.503 120.500 -0.444 0.000 2.338 372 R HA 0.554 4.893 4.340 -0.002 0.000 0.317 372 R C -1.582 174.265 176.300 -0.755 0.000 0.968 372 R CA -0.219 55.638 56.100 -0.404 0.000 0.849 372 R CB 0.741 30.959 30.300 -0.137 0.000 1.128 372 R HN 0.035 nan 8.270 nan 0.000 0.448 373 Y N 1.957 121.945 120.300 -0.520 0.000 2.659 373 Y HA 0.705 5.254 4.550 -0.002 0.000 0.333 373 Y C -0.677 174.839 175.900 -0.639 0.000 1.064 373 Y CA -1.023 56.705 58.100 -0.620 0.000 1.141 373 Y CB 2.152 40.126 38.460 -0.809 0.000 1.316 373 Y HN 0.287 nan 8.280 nan 0.000 0.509 374 V N 0.557 120.248 119.914 -0.371 0.000 2.817 374 V HA 0.653 4.772 4.120 -0.002 0.000 0.303 374 V C -1.614 174.291 176.094 -0.316 0.000 1.151 374 V CA -0.290 61.819 62.300 -0.319 0.000 0.929 374 V CB 1.937 33.537 31.823 -0.371 0.000 1.030 374 V HN 0.749 nan 8.190 nan 0.000 0.427 375 S N 5.147 120.806 115.700 -0.068 0.000 2.605 375 S HA 0.663 5.132 4.470 -0.002 0.000 0.308 375 S C -0.720 173.997 174.600 0.195 0.000 1.113 375 S CA -0.585 57.670 58.200 0.093 0.000 1.049 375 S CB 1.387 64.610 63.200 0.039 0.000 1.001 375 S HN 0.873 nan 8.310 nan 0.000 0.480 376 E N 3.037 123.384 120.200 0.245 0.000 2.222 376 E HA 0.469 4.819 4.350 -0.002 0.000 0.272 376 E C -1.096 175.442 176.600 -0.104 0.000 0.982 376 E CA -0.863 55.601 56.400 0.107 0.000 0.842 376 E CB 1.852 31.641 29.700 0.149 0.000 1.144 376 E HN 0.498 nan 8.360 nan 0.000 0.397 377 L N 2.882 123.834 121.223 -0.451 0.000 2.404 377 L HA 0.324 4.663 4.340 -0.002 0.000 0.272 377 L C -1.180 175.542 176.870 -0.247 0.000 0.980 377 L CA -0.499 53.893 54.840 -0.748 0.000 0.836 377 L CB 1.021 41.931 42.059 -1.915 0.000 1.238 377 L HN 0.680 nan 8.230 nan 0.000 0.408 378 H N 6.296 125.239 119.070 -0.213 0.000 2.690 378 H HA 0.323 4.878 4.556 -0.002 0.000 0.289 378 H C -0.592 174.667 175.328 -0.115 0.000 1.089 378 H CA -0.724 55.238 56.048 -0.142 0.000 1.299 378 H CB 1.024 30.746 29.762 -0.066 0.000 1.405 378 H HN 0.410 nan 8.280 nan 0.000 0.463 379 L N 4.274 125.455 121.223 -0.070 0.000 2.259 379 L HA 0.186 4.525 4.340 -0.002 0.000 0.288 379 L C 0.572 177.394 176.870 -0.079 0.000 1.051 379 L CA -0.622 54.160 54.840 -0.097 0.000 0.824 379 L CB 0.722 42.624 42.059 -0.261 0.000 1.206 379 L HN 0.577 nan 8.230 nan 0.000 0.429 380 T N 0.898 115.436 114.554 -0.028 0.000 2.781 380 T HA 0.428 4.777 4.350 -0.002 0.000 0.305 380 T C 0.346 175.029 174.700 -0.030 0.000 1.001 380 T CA -0.654 61.425 62.100 -0.034 0.000 0.950 380 T CB 0.515 69.378 68.868 -0.009 0.000 0.955 380 T HN 0.675 nan 8.240 nan 0.000 0.471 381 R N 1.128 121.602 120.500 -0.044 0.000 3.125 381 R HA -0.107 4.232 4.340 -0.002 0.000 0.258 381 R C -0.605 175.674 176.300 -0.035 0.000 0.968 381 R CA -0.288 55.792 56.100 -0.035 0.000 0.656 381 R CB -1.934 28.354 30.300 -0.020 0.000 1.251 381 R HN 0.521 nan 8.270 nan 0.000 0.428 382 L N 1.062 122.252 121.223 -0.054 0.000 2.492 382 L HA 0.054 4.393 4.340 -0.002 0.000 0.280 382 L C 1.919 178.766 176.870 -0.039 0.000 1.240 382 L CA 1.762 56.567 54.840 -0.058 0.000 0.831 382 L CB 0.230 42.238 42.059 -0.086 0.000 1.100 382 L HN 0.510 nan 8.230 nan 0.000 0.505 383 K N 1.074 121.454 120.400 -0.032 0.000 2.397 383 K HA 0.495 4.814 4.320 -0.002 0.000 0.202 383 K C 1.320 177.908 176.600 -0.019 0.000 1.022 383 K CA 0.771 57.047 56.287 -0.018 0.000 1.141 383 K CB -0.317 32.180 32.500 -0.005 0.000 0.857 383 K HN 1.017 nan 8.250 nan 0.000 0.514 384 G N 0.049 108.828 108.800 -0.034 0.000 3.329 384 G HA2 -0.393 3.566 3.960 -0.002 0.000 0.220 384 G HA3 -0.393 3.566 3.960 -0.002 0.000 0.220 384 G C 1.614 176.495 174.900 -0.031 0.000 1.358 384 G CA 1.518 46.595 45.100 -0.038 0.000 0.856 384 G HN 1.262 nan 8.290 nan 0.000 0.551 385 T N -0.899 113.651 114.554 -0.007 0.000 3.194 385 T HA 0.431 4.781 4.350 -0.002 0.000 0.251 385 T C 1.423 176.142 174.700 0.032 0.000 1.132 385 T CA 1.588 63.696 62.100 0.015 0.000 1.028 385 T CB 0.680 69.562 68.868 0.024 0.000 0.976 385 T HN 0.495 nan 8.240 nan 0.000 0.535 386 E N 0.984 121.181 120.200 -0.007 0.000 2.479 386 E HA 0.328 4.677 4.350 -0.002 0.000 0.193 386 E C 1.422 177.976 176.600 -0.076 0.000 1.049 386 E CA 0.007 56.372 56.400 -0.059 0.000 0.870 386 E CB -0.519 29.139 29.700 -0.071 0.000 0.944 386 E HN 0.628 nan 8.360 nan 0.000 0.492 387 G N -0.412 108.385 108.800 -0.005 0.000 2.393 387 G HA2 0.375 4.334 3.960 -0.002 0.000 0.268 387 G HA3 0.375 4.334 3.960 -0.002 0.000 0.268 387 G C 0.656 175.656 174.900 0.166 0.000 1.472 387 G CA -0.037 45.091 45.100 0.045 0.000 1.059 387 G HN 0.632 nan 8.290 nan 0.000 0.555 388 G N -2.772 106.165 108.800 0.228 0.000 2.384 388 G HA2 0.295 4.254 3.960 -0.002 0.000 0.204 388 G HA3 0.295 4.254 3.960 -0.002 0.000 0.204 388 G C -0.216 174.851 174.900 0.280 0.000 1.237 388 G CA 0.494 45.771 45.100 0.296 0.000 1.060 388 G HN 1.405 nan 8.290 nan 0.000 0.514 389 T N 0.665 115.356 114.554 0.228 0.000 2.991 389 T HA 0.604 4.954 4.350 -0.002 0.000 0.347 389 T C -1.121 173.708 174.700 0.214 0.000 1.122 389 T CA -0.301 61.935 62.100 0.226 0.000 1.062 389 T CB -0.148 68.804 68.868 0.139 0.000 1.043 389 T HN 0.558 nan 8.240 nan 0.000 0.491 390 Y N 2.879 123.322 120.300 0.238 0.000 2.359 390 Y HA 0.460 5.009 4.550 -0.002 0.000 0.334 390 Y C 1.331 177.472 175.900 0.401 0.000 1.058 390 Y CA -0.475 57.804 58.100 0.298 0.000 1.244 390 Y CB 1.018 39.608 38.460 0.216 0.000 1.187 390 Y HN 0.406 nan 8.280 nan 0.000 0.510 391 T N 4.569 119.402 114.554 0.465 0.000 2.912 391 T HA 0.478 4.827 4.350 -0.002 0.000 0.288 391 T C -1.491 173.283 174.700 0.123 0.000 1.030 391 T CA -0.678 61.606 62.100 0.307 0.000 1.020 391 T CB 1.085 70.022 68.868 0.116 0.000 1.056 391 T HN 0.388 nan 8.240 nan 0.000 0.480 392 F N 2.888 122.639 119.950 -0.332 0.000 2.482 392 F HA 0.736 5.262 4.527 -0.002 0.000 0.331 392 F C -1.996 173.438 175.800 -0.610 0.000 1.115 392 F CA -1.080 56.325 58.000 -0.992 0.000 0.955 392 F CB 0.716 38.703 39.000 -1.687 0.000 1.136 392 F HN 0.293 nan 8.300 nan 0.000 0.452 393 L N 6.898 127.162 121.223 -1.599 0.000 2.388 393 L HA 0.863 5.202 4.340 -0.002 0.000 0.264 393 L C -0.889 175.209 176.870 -1.286 0.000 0.998 393 L CA -1.022 53.173 54.840 -1.076 0.000 0.817 393 L CB 1.721 43.426 42.059 -0.590 0.000 1.338 393 L HN 0.572 nan 8.230 nan 0.000 0.414 394 V N 0.729 120.175 119.914 -0.781 0.000 3.120 394 V HA 0.964 5.083 4.120 -0.002 0.000 0.303 394 V C -1.361 174.546 176.094 -0.311 0.000 1.238 394 V CA 0.193 62.170 62.300 -0.538 0.000 1.008 394 V CB 2.551 34.060 31.823 -0.523 0.000 1.064 394 V HN 1.042 nan 8.190 nan 0.000 0.434 395 S N 3.714 119.288 115.700 -0.209 0.000 2.615 395 S HA 0.740 5.210 4.470 -0.002 0.000 0.269 395 S C -1.356 173.167 174.600 -0.129 0.000 1.161 395 S CA -0.616 57.501 58.200 -0.139 0.000 0.817 395 S CB 2.085 65.227 63.200 -0.097 0.000 1.131 395 S HN 1.558 nan 8.310 nan 0.000 0.467 396 N N -0.531 118.114 118.700 -0.092 0.000 2.831 396 N HA 0.381 5.120 4.740 -0.002 0.000 0.276 396 N C 0.565 176.038 175.510 -0.062 0.000 1.416 396 N CA -0.381 52.609 53.050 -0.099 0.000 0.799 396 N CB 1.075 39.505 38.487 -0.095 0.000 1.554 396 N HN 0.542 nan 8.380 nan 0.000 0.541 397 S N -0.956 114.705 115.700 -0.066 0.000 2.461 397 S HA -0.152 4.317 4.470 -0.002 0.000 0.246 397 S C 0.092 174.691 174.600 -0.001 0.000 1.007 397 S CA 1.799 59.978 58.200 -0.035 0.000 0.976 397 S CB -0.371 62.804 63.200 -0.042 0.000 0.763 397 S HN 0.592 nan 8.310 nan 0.000 0.508 398 D N -0.321 120.086 120.400 0.013 0.000 3.012 398 D HA 0.394 5.033 4.640 -0.002 0.000 0.230 398 D C 0.718 177.035 176.300 0.029 0.000 1.477 398 D CA 0.614 54.637 54.000 0.038 0.000 1.329 398 D CB -0.896 39.954 40.800 0.083 0.000 0.951 398 D HN 0.276 nan 8.370 nan 0.000 0.224 399 V N 0.552 120.490 119.914 0.041 0.000 3.003 399 V HA 0.458 4.577 4.120 -0.002 0.000 0.305 399 V C -0.324 175.766 176.094 -0.008 0.000 1.078 399 V CA -0.096 62.221 62.300 0.028 0.000 1.083 399 V CB 0.126 31.984 31.823 0.059 0.000 1.039 399 V HN 0.160 nan 8.190 nan 0.000 0.481 400 N N 2.113 120.800 118.700 -0.022 0.000 2.354 400 N HA 0.798 5.537 4.740 -0.002 0.000 0.287 400 N C -0.554 174.915 175.510 -0.068 0.000 1.016 400 N CA 0.292 53.307 53.050 -0.058 0.000 0.871 400 N CB 1.988 40.441 38.487 -0.057 0.000 1.299 400 N HN 1.160 nan 8.380 nan 0.000 0.482 401 A N 0.950 123.704 122.820 -0.110 0.000 2.479 401 A HA 0.996 5.315 4.320 -0.002 0.000 0.296 401 A C -1.250 176.232 177.584 -0.169 0.000 1.121 401 A CA -0.626 51.347 52.037 -0.107 0.000 0.743 401 A CB 1.488 20.442 19.000 -0.076 0.000 1.323 401 A HN 0.728 nan 8.150 nan 0.000 0.415 402 A N -0.342 122.404 122.820 -0.125 0.000 2.610 402 A HA 0.804 5.123 4.320 -0.002 0.000 0.291 402 A C -1.675 175.879 177.584 -0.051 0.000 1.086 402 A CA -0.215 51.739 52.037 -0.140 0.000 0.677 402 A CB 1.141 20.046 19.000 -0.158 0.000 1.278 402 A HN 2.213 nan 8.150 nan 0.000 0.414 403 I N -0.553 120.018 120.570 0.001 0.000 2.827 403 I HA 0.820 4.989 4.170 -0.002 0.000 0.298 403 I C -0.511 175.685 176.117 0.131 0.000 1.235 403 I CA -0.273 61.054 61.300 0.045 0.000 1.021 403 I CB 1.888 39.928 38.000 0.068 0.000 1.259 403 I HN 1.508 nan 8.210 nan 0.000 0.427 404 A N 5.898 128.772 122.820 0.090 0.000 2.413 404 A HA 0.873 5.192 4.320 -0.002 0.000 0.307 404 A C -1.704 175.974 177.584 0.157 0.000 1.087 404 A CA -0.426 51.744 52.037 0.222 0.000 0.750 404 A CB 0.822 19.905 19.000 0.138 0.000 1.296 404 A HN 0.546 nan 8.150 nan 0.000 0.423 405 F N 1.297 121.359 119.950 0.187 0.000 2.495 405 F HA 0.382 4.909 4.527 -0.001 0.000 0.327 405 F C 0.265 176.126 175.800 0.101 0.000 1.103 405 F CA -0.709 57.376 58.000 0.142 0.000 0.949 405 F CB 2.213 41.319 39.000 0.176 0.000 1.142 405 F HN 0.470 nan 8.300 nan 0.000 0.457 406 N N 3.007 121.765 118.700 0.097 0.000 2.609 406 N HA 0.234 4.973 4.740 -0.002 0.000 0.234 406 N C -1.061 174.280 175.510 -0.281 0.000 1.001 406 N CA -0.173 52.807 53.050 -0.115 0.000 0.926 406 N CB 1.753 40.065 38.487 -0.292 0.000 1.130 406 N HN 0.208 nan 8.380 nan 0.000 0.510 407 V N 3.672 123.540 119.914 -0.076 0.000 2.339 407 V HA 0.161 4.280 4.120 -0.002 0.000 0.261 407 V C -0.517 175.516 176.094 -0.102 0.000 1.058 407 V CA -0.535 61.710 62.300 -0.092 0.000 0.897 407 V CB -0.851 30.916 31.823 -0.092 0.000 1.052 407 V HN 0.347 nan 8.190 nan 0.000 0.480 408 Y N 3.620 123.818 120.300 -0.170 0.000 2.477 408 Y HA 0.416 4.965 4.550 -0.002 0.000 0.349 408 Y C 0.397 175.969 175.900 -0.547 0.000 0.977 408 Y CA -0.896 56.918 58.100 -0.476 0.000 1.214 408 Y CB 1.320 39.333 38.460 -0.745 0.000 1.124 408 Y HN 0.456 nan 8.280 nan 0.000 0.521 409 V N 5.106 124.862 119.914 -0.263 0.000 2.834 409 V HA 0.323 4.442 4.120 -0.002 0.000 0.301 409 V C -0.154 175.764 176.094 -0.293 0.000 1.066 409 V CA -0.545 61.622 62.300 -0.221 0.000 1.052 409 V CB 0.818 32.559 31.823 -0.137 0.000 1.021 409 V HN 0.907 nan 8.190 nan 0.000 0.480 410 N N 2.580 121.195 118.700 -0.142 0.000 2.417 410 N HA 0.714 5.453 4.740 -0.002 0.000 0.300 410 N C -0.983 174.530 175.510 0.004 0.000 1.102 410 N CA -0.463 52.568 53.050 -0.032 0.000 0.886 410 N CB 1.945 40.461 38.487 0.048 0.000 1.203 410 N HN 0.906 nan 8.380 nan 0.000 0.496 411 T N -2.404 112.181 114.554 0.053 0.000 2.883 411 T HA 0.362 4.711 4.350 -0.002 0.000 0.296 411 T C -0.885 173.839 174.700 0.040 0.000 1.117 411 T CA -1.152 60.970 62.100 0.036 0.000 1.006 411 T CB 1.508 70.394 68.868 0.031 0.000 1.191 411 T HN 0.465 nan 8.240 nan 0.000 0.508 412 K N 0.754 121.166 120.400 0.020 0.000 2.258 412 K HA 0.513 4.832 4.320 -0.002 0.000 0.284 412 K C -2.774 173.828 176.600 0.004 0.000 1.051 412 K CA -1.581 54.711 56.287 0.008 0.000 0.923 412 K CB -0.113 32.385 32.500 -0.002 0.000 1.046 412 K HN 0.216 nan 8.250 nan 0.000 0.474 413 P HA -0.150 nan 4.420 nan 0.000 0.269 413 P C -1.029 176.262 177.300 -0.015 0.000 1.200 413 P CA 0.285 63.378 63.100 -0.012 0.000 0.779 413 P CB 0.394 32.074 31.700 -0.033 0.000 0.841 414 E N 0.847 121.043 120.200 -0.008 0.000 2.275 414 E HA 0.323 4.672 4.350 -0.002 0.000 0.270 414 E C -0.703 175.900 176.600 0.005 0.000 0.882 414 E CA -0.829 55.570 56.400 -0.002 0.000 0.758 414 E CB 0.700 30.408 29.700 0.014 0.000 1.195 414 E HN 0.219 nan 8.360 nan 0.000 0.419 415 I N 4.135 124.706 120.570 0.003 0.000 2.382 415 I HA 0.098 4.267 4.170 -0.002 0.000 0.297 415 I C 1.019 177.207 176.117 0.119 0.000 1.172 415 I CA -0.040 61.282 61.300 0.037 0.000 1.825 415 I CB -0.581 37.401 38.000 -0.030 0.000 1.509 415 I HN 0.603 nan 8.210 nan 0.000 0.842 416 L N 2.262 123.540 121.223 0.092 0.000 2.089 416 L HA -0.092 4.247 4.340 -0.002 0.000 0.213 416 L C 0.913 177.857 176.870 0.125 0.000 1.079 416 L CA 2.013 56.908 54.840 0.092 0.000 0.758 416 L CB -0.334 41.763 42.059 0.064 0.000 0.891 416 L HN 0.822 nan 8.230 nan 0.000 0.433 417 T N -1.305 113.353 114.554 0.173 0.000 3.767 417 T HA 0.350 4.699 4.350 -0.002 0.000 0.360 417 T C -1.737 173.125 174.700 0.269 0.000 1.181 417 T CA -0.507 61.691 62.100 0.163 0.000 1.110 417 T CB 0.178 69.089 68.868 0.072 0.000 1.201 417 T HN 0.155 nan 8.240 nan 0.000 0.474 418 Y N 2.581 122.981 120.300 0.167 0.000 2.555 418 Y HA 0.753 5.302 4.550 -0.002 0.000 0.326 418 Y C -0.284 175.770 175.900 0.256 0.000 0.984 418 Y CA -1.453 56.829 58.100 0.303 0.000 1.298 418 Y CB 0.342 39.096 38.460 0.490 0.000 1.094 418 Y HN 0.320 nan 8.280 nan 0.000 0.500 419 D N 2.795 123.259 120.400 0.106 0.000 2.564 419 D HA 0.389 5.028 4.640 -0.002 0.000 0.273 419 D C -0.155 176.120 176.300 -0.042 0.000 1.192 419 D CA -0.731 53.267 54.000 -0.003 0.000 1.080 419 D CB 1.016 41.807 40.800 -0.016 0.000 1.160 419 D HN 0.580 nan 8.370 nan 0.000 0.607 420 R N 1.240 121.709 120.500 -0.051 0.000 2.335 420 R HA 0.341 4.680 4.340 -0.002 0.000 0.302 420 R C -0.070 176.199 176.300 -0.053 0.000 1.147 420 R CA -0.651 55.403 56.100 -0.077 0.000 1.111 420 R CB -0.426 29.849 30.300 -0.041 0.000 1.122 420 R HN 0.493 nan 8.270 nan 0.000 0.557 421 L N 2.437 123.624 121.223 -0.059 0.000 2.477 421 L HA -0.052 4.288 4.340 -0.002 0.000 0.289 421 L C 0.994 177.844 176.870 -0.034 0.000 1.279 421 L CA -0.197 54.619 54.840 -0.040 0.000 0.825 421 L CB 0.586 42.618 42.059 -0.045 0.000 1.085 421 L HN 0.477 nan 8.230 nan 0.000 0.548 422 V N 0.443 120.342 119.914 -0.025 0.000 4.045 422 V HA 0.077 4.196 4.120 -0.002 0.000 0.265 422 V C 1.124 177.206 176.094 -0.021 0.000 0.889 422 V CA 0.135 62.423 62.300 -0.020 0.000 0.887 422 V CB -1.122 30.692 31.823 -0.016 0.000 1.193 422 V HN 1.054 nan 8.190 nan 0.000 0.406 423 N N -0.086 118.604 118.700 -0.017 0.000 2.347 423 N HA 0.404 5.143 4.740 -0.002 0.000 0.278 423 N C 1.093 176.592 175.510 -0.017 0.000 1.367 423 N CA 1.213 54.254 53.050 -0.015 0.000 0.898 423 N CB -0.726 37.753 38.487 -0.014 0.000 1.203 423 N HN 2.113 nan 8.380 nan 0.000 0.491 424 G N -0.061 108.731 108.800 -0.014 0.000 3.033 424 G HA2 0.020 3.979 3.960 -0.002 0.000 0.196 424 G HA3 0.020 3.979 3.960 -0.002 0.000 0.196 424 G C 0.279 175.153 174.900 -0.042 0.000 1.078 424 G CA 0.615 45.701 45.100 -0.022 0.000 0.805 424 G HN 1.509 nan 8.290 nan 0.000 0.472 425 M N -1.368 118.194 119.600 -0.064 0.000 3.767 425 M HA 0.817 5.296 4.480 -0.002 0.000 0.327 425 M C -1.910 174.297 176.300 -0.155 0.000 1.529 425 M CA -0.829 54.395 55.300 -0.127 0.000 0.871 425 M CB 1.239 33.734 32.600 -0.175 0.000 2.008 425 M HN 0.167 nan 8.290 nan 0.000 0.485 426 L N 0.792 121.857 121.223 -0.264 0.000 2.354 426 L HA 0.677 5.016 4.340 -0.002 0.000 0.269 426 L C -0.685 176.064 176.870 -0.202 0.000 1.005 426 L CA -0.234 54.419 54.840 -0.312 0.000 0.819 426 L CB 1.906 43.614 42.059 -0.584 0.000 1.311 426 L HN 0.725 nan 8.230 nan 0.000 0.423 427 Q N 1.309 121.071 119.800 -0.063 0.000 2.356 427 Q HA 0.659 4.998 4.340 -0.002 0.000 0.270 427 Q C -1.802 174.360 176.000 0.271 0.000 1.058 427 Q CA -0.532 55.344 55.803 0.122 0.000 0.802 427 Q CB 2.466 31.248 28.738 0.072 0.000 1.303 427 Q HN 0.804 nan 8.270 nan 0.000 0.444 428 c N 3.939 122.786 118.600 0.412 0.000 2.481 428 c HA 0.765 5.334 4.570 -0.002 0.000 0.324 428 c C -1.271 172.947 174.090 0.215 0.000 1.170 428 c CA -0.231 56.331 56.329 0.388 0.000 1.361 428 c CB 0.833 43.609 42.510 0.444 0.000 1.977 428 c HN 0.680 nan 8.230 nan 0.000 0.459 429 V N 5.555 125.572 119.914 0.172 0.000 2.540 429 V HA 0.878 4.997 4.120 -0.002 0.000 0.302 429 V C 0.435 176.572 176.094 0.072 0.000 1.035 429 V CA -0.030 62.331 62.300 0.102 0.000 0.873 429 V CB 1.432 33.310 31.823 0.092 0.000 0.992 429 V HN 1.186 nan 8.190 nan 0.000 0.428 430 A N 3.653 126.490 122.820 0.029 0.000 2.423 430 A HA 1.028 5.348 4.320 -0.002 0.000 0.304 430 A C -0.476 177.113 177.584 0.007 0.000 1.104 430 A CA -0.415 51.626 52.037 0.008 0.000 0.757 430 A CB 1.976 20.955 19.000 -0.034 0.000 1.313 430 A HN 1.443 nan 8.150 nan 0.000 0.423 431 A N 0.123 122.948 122.820 0.009 0.000 2.374 431 A HA 0.908 5.227 4.320 -0.002 0.000 0.305 431 A C -0.042 177.552 177.584 0.018 0.000 1.053 431 A CA 0.083 52.129 52.037 0.015 0.000 0.726 431 A CB 1.317 20.333 19.000 0.026 0.000 1.229 431 A HN 2.371 nan 8.150 nan 0.000 0.431 432 G N -0.207 108.606 108.800 0.021 0.000 2.559 432 G HA2 0.615 4.574 3.960 -0.002 0.000 0.291 432 G HA3 0.615 4.574 3.960 -0.002 0.000 0.291 432 G C -2.113 172.834 174.900 0.078 0.000 1.424 432 G CA -0.456 44.672 45.100 0.046 0.000 0.786 432 G HN 1.145 nan 8.290 nan 0.000 0.485 433 F N 1.927 121.850 119.950 -0.046 0.000 2.573 433 F HA 0.676 5.202 4.527 -0.001 0.000 0.316 433 F C -2.273 173.492 175.800 -0.058 0.000 1.148 433 F CA -2.051 55.909 58.000 -0.066 0.000 0.940 433 F CB 2.806 41.748 39.000 -0.097 0.000 1.214 433 F HN 0.385 nan 8.300 nan 0.000 0.448 434 P HA 0.043 nan 4.420 nan 0.000 0.312 434 P C -0.697 176.396 177.300 -0.345 0.000 1.307 434 P CA -0.195 62.523 63.100 -0.637 0.000 0.738 434 P CB 0.267 31.731 31.700 -0.393 0.000 1.422 435 E N 0.051 120.050 120.200 -0.335 0.000 2.966 435 E HA -0.072 4.277 4.350 -0.002 0.000 0.254 435 E C -2.377 174.157 176.600 -0.110 0.000 0.923 435 E CA -0.501 55.786 56.400 -0.188 0.000 0.960 435 E CB -1.390 28.223 29.700 -0.145 0.000 0.901 435 E HN 0.195 nan 8.360 nan 0.000 0.525 436 P HA 0.221 nan 4.420 nan 0.000 0.282 436 P C -0.830 176.435 177.300 -0.059 0.000 1.249 436 P CA -0.401 62.662 63.100 -0.061 0.000 0.806 436 P CB 1.091 32.760 31.700 -0.052 0.000 0.984 437 T N 3.159 117.677 114.554 -0.059 0.000 2.867 437 T HA 0.495 4.844 4.350 -0.002 0.000 0.282 437 T C -0.072 174.575 174.700 -0.088 0.000 1.000 437 T CA -0.190 61.876 62.100 -0.057 0.000 1.042 437 T CB 0.266 69.107 68.868 -0.046 0.000 0.973 437 T HN 0.140 nan 8.240 nan 0.000 0.465 438 I N 2.811 123.326 120.570 -0.091 0.000 2.411 438 I HA 0.442 4.611 4.170 -0.002 0.000 0.284 438 I C 0.208 176.224 176.117 -0.169 0.000 1.012 438 I CA -0.791 60.399 61.300 -0.183 0.000 1.119 438 I CB 0.764 38.656 38.000 -0.180 0.000 1.261 438 I HN 0.826 nan 8.210 nan 0.000 0.448 439 D N 5.515 125.776 120.400 -0.232 0.000 2.457 439 D HA 0.678 5.317 4.640 -0.002 0.000 0.240 439 D C -1.609 174.572 176.300 -0.198 0.000 1.041 439 D CA -0.392 53.546 54.000 -0.104 0.000 0.861 439 D CB 1.500 42.273 40.800 -0.046 0.000 1.394 439 D HN 0.442 nan 8.370 nan 0.000 0.473 440 W N -0.762 120.542 121.300 0.006 0.000 2.666 440 W HA 0.621 5.280 4.660 -0.001 0.000 0.334 440 W C 0.401 176.919 176.519 -0.001 0.000 1.051 440 W CA -0.688 56.664 57.345 0.012 0.000 1.224 440 W CB 0.802 30.271 29.460 0.016 0.000 1.405 440 W HN 0.874 nan 8.180 nan 0.000 0.513 441 Y N -0.266 120.178 120.300 0.241 0.000 2.596 441 Y HA 0.817 5.366 4.550 -0.002 0.000 0.326 441 Y C 0.033 176.016 175.900 0.138 0.000 1.167 441 Y CA -0.624 57.555 58.100 0.131 0.000 1.246 441 Y CB 0.509 39.009 38.460 0.067 0.000 1.347 441 Y HN 0.681 nan 8.280 nan 0.000 0.515 442 F N -1.246 118.749 119.950 0.074 0.000 1.975 442 F HA 0.425 4.952 4.527 -0.002 0.000 0.259 442 F C 1.873 177.693 175.800 0.033 0.000 1.011 442 F CA -0.175 57.849 58.000 0.041 0.000 1.196 442 F CB -0.606 38.395 39.000 0.002 0.000 1.427 442 F HN 1.675 nan 8.300 nan 0.000 0.669 443 C N 2.318 121.635 119.300 0.030 0.000 2.591 443 C HA 0.414 4.873 4.460 -0.002 0.000 0.391 443 C C -0.189 174.825 174.990 0.040 0.000 1.324 443 C CA 0.278 59.315 59.018 0.032 0.000 1.675 443 C CB -1.426 26.329 27.740 0.026 0.000 2.600 443 C HN 1.060 nan 8.230 nan 0.000 0.609 444 P HA 0.551 nan 4.420 nan 0.000 0.269 444 P C 0.428 177.750 177.300 0.037 0.000 1.215 444 P CA 1.191 64.321 63.100 0.050 0.000 0.780 444 P CB 0.650 32.381 31.700 0.052 0.000 0.898 451 S N 0.909 116.611 115.700 0.003 0.000 2.625 451 S HA 1.147 5.616 4.470 -0.002 0.000 0.271 451 S C -0.216 174.390 174.600 0.009 0.000 1.161 451 S CA 0.327 58.533 58.200 0.009 0.000 0.820 451 S CB 0.773 63.980 63.200 0.011 0.000 1.137 451 S HN 2.673 nan 8.310 nan 0.000 0.470 452 A N 0.046 122.875 122.820 0.014 0.000 2.261 452 A HA 1.033 5.352 4.320 -0.002 0.000 0.323 452 A C 0.397 177.993 177.584 0.019 0.000 1.107 452 A CA 0.198 52.244 52.037 0.015 0.000 0.883 452 A CB 0.491 19.500 19.000 0.015 0.000 1.251 452 A HN 2.163 nan 8.150 nan 0.000 0.502 453 S N -1.830 113.882 115.700 0.019 0.000 2.566 453 S HA 0.843 5.312 4.470 -0.002 0.000 0.298 453 S C -0.576 174.041 174.600 0.028 0.000 1.083 453 S CA -0.083 58.134 58.200 0.027 0.000 0.978 453 S CB 1.238 64.453 63.200 0.024 0.000 1.073 453 S HN 2.353 nan 8.310 nan 0.000 0.491 454 V N 0.715 120.651 119.914 0.037 0.000 2.655 454 V HA 0.853 4.972 4.120 -0.002 0.000 0.301 454 V C 0.018 176.139 176.094 0.046 0.000 1.082 454 V CA -0.784 61.534 62.300 0.030 0.000 0.899 454 V CB 0.652 32.483 31.823 0.014 0.000 1.014 454 V HN 1.766 nan 8.190 nan 0.000 0.429 455 L N 3.212 124.461 121.223 0.043 0.000 2.439 455 L HA 1.121 5.460 4.340 -0.002 0.000 0.261 455 L C -0.630 176.265 176.870 0.041 0.000 1.153 455 L CA -0.521 54.356 54.840 0.062 0.000 0.808 455 L CB 0.395 42.484 42.059 0.051 0.000 1.126 455 L HN 2.151 nan 8.230 nan 0.000 0.460 456 P HA 0.865 nan 4.420 nan 0.000 0.429 456 P C -1.421 175.891 177.300 0.019 0.000 1.284 456 P CA 0.561 63.662 63.100 0.003 0.000 1.519 456 P CB 0.405 32.062 31.700 -0.071 0.000 3.576 457 V N -2.054 117.850 119.914 -0.017 0.000 3.088 457 V HA 0.799 4.918 4.120 -0.002 0.000 0.272 457 V C -0.133 175.955 176.094 -0.011 0.000 1.611 457 V CA 1.332 63.638 62.300 0.009 0.000 0.990 457 V CB 0.955 32.873 31.823 0.159 0.000 1.234 457 V HN 1.235 nan 8.190 nan 0.000 0.453 458 D N 1.105 121.495 120.400 -0.016 0.000 2.912 458 D HA 0.823 5.462 4.640 -0.002 0.000 0.170 458 D C 0.916 177.222 176.300 0.009 0.000 1.484 458 D CA 1.057 55.048 54.000 -0.015 0.000 1.542 458 D CB 0.179 40.950 40.800 -0.048 0.000 1.344 458 D HN 2.371 nan 8.370 nan 0.000 0.222 459 V N 0.812 120.730 119.914 0.007 0.000 2.339 459 V HA 0.743 4.862 4.120 -0.002 0.000 0.261 459 V C 0.125 176.250 176.094 0.052 0.000 1.058 459 V CA 0.483 62.796 62.300 0.021 0.000 0.897 459 V CB -0.034 31.794 31.823 0.008 0.000 1.052 459 V HN 1.002 nan 8.190 nan 0.000 0.480 460 Q N 3.464 123.297 119.800 0.056 0.000 2.397 460 Q HA 0.765 5.104 4.340 -0.002 0.000 0.260 460 Q C -0.210 175.816 176.000 0.044 0.000 1.002 460 Q CA 0.026 55.871 55.803 0.071 0.000 0.716 460 Q CB 1.120 29.914 28.738 0.093 0.000 1.258 460 Q HN 1.939 nan 8.270 nan 0.000 0.477 461 T N 0.306 114.883 114.554 0.038 0.000 2.833 461 T HA 0.750 5.099 4.350 -0.002 0.000 0.297 461 T C 0.257 174.969 174.700 0.020 0.000 1.015 461 T CA 0.028 62.142 62.100 0.024 0.000 0.963 461 T CB 0.375 69.254 68.868 0.020 0.000 0.955 461 T HN 1.899 nan 8.240 nan 0.000 0.449 462 L N 2.242 123.470 121.223 0.009 0.000 2.401 462 L HA 0.734 5.073 4.340 -0.002 0.000 0.283 462 L C 0.640 177.509 176.870 -0.002 0.000 1.151 462 L CA -0.415 54.425 54.840 0.000 0.000 0.942 462 L CB -1.677 40.372 42.059 -0.016 0.000 1.283 462 L HN 1.128 nan 8.230 nan 0.000 0.442 463 N N 1.121 119.824 118.700 0.006 0.000 2.483 463 N HA 0.889 5.628 4.740 -0.002 0.000 0.269 463 N C 0.969 176.481 175.510 0.004 0.000 1.209 463 N CA 0.605 53.659 53.050 0.006 0.000 0.969 463 N CB 1.406 39.899 38.487 0.011 0.000 1.173 463 N HN 2.105 nan 8.380 nan 0.000 0.475 464 S N -1.553 114.150 115.700 0.004 0.000 6.547 464 S HA 0.469 4.938 4.470 -0.002 0.000 0.076 464 S C 1.472 176.076 174.600 0.007 0.000 1.283 464 S CA 1.158 59.362 58.200 0.006 0.000 1.275 464 S CB -1.300 61.900 63.200 0.001 0.000 1.550 464 S HN 1.804 nan 8.310 nan 0.000 0.510 470 G N -0.644 108.179 108.800 0.038 0.000 3.046 470 G HA2 0.483 4.442 3.960 -0.002 0.000 0.137 470 G HA3 0.483 4.442 3.960 -0.002 0.000 0.137 470 G C -0.808 174.221 174.900 0.214 0.000 1.207 470 G CA 0.029 45.160 45.100 0.053 0.000 1.218 470 G HN 0.897 nan 8.290 nan 0.000 0.625 471 K N 1.028 121.546 120.400 0.197 0.000 2.378 471 K HA -0.087 4.232 4.320 -0.002 0.000 0.250 471 K C -0.338 176.326 176.600 0.106 0.000 1.125 471 K CA 0.469 56.866 56.287 0.185 0.000 1.192 471 K CB -0.395 32.162 32.500 0.095 0.000 0.751 471 K HN 0.205 nan 8.250 nan 0.000 0.502 472 L N 3.727 124.983 121.223 0.054 0.000 2.307 472 L HA 0.360 4.699 4.340 -0.002 0.000 0.282 472 L C 0.256 177.118 176.870 -0.013 0.000 1.051 472 L CA -1.032 53.795 54.840 -0.020 0.000 0.804 472 L CB 1.225 43.213 42.059 -0.119 0.000 1.197 472 L HN 0.343 nan 8.230 nan 0.000 0.431 473 V N 1.610 121.521 119.914 -0.005 0.000 2.667 473 V HA 0.747 4.866 4.120 -0.002 0.000 0.308 473 V C -0.460 175.633 176.094 -0.002 0.000 1.048 473 V CA -0.701 61.600 62.300 0.003 0.000 0.928 473 V CB 2.076 33.909 31.823 0.017 0.000 1.004 473 V HN 0.505 nan 8.190 nan 0.000 0.444 474 V N 3.463 123.379 119.914 0.003 0.000 2.823 474 V HA 0.607 4.726 4.120 -0.002 0.000 0.312 474 V C -0.788 175.326 176.094 0.033 0.000 1.072 474 V CA -0.336 61.970 62.300 0.009 0.000 0.937 474 V CB 1.855 33.675 31.823 -0.006 0.000 1.013 474 V HN 1.207 nan 8.190 nan 0.000 0.430 475 Q N 3.915 123.745 119.800 0.049 0.000 2.309 475 Q HA 0.685 5.024 4.340 -0.002 0.000 0.270 475 Q C -1.293 174.773 176.000 0.110 0.000 1.023 475 Q CA -0.416 55.435 55.803 0.079 0.000 0.758 475 Q CB 1.938 30.716 28.738 0.065 0.000 1.247 475 Q HN 0.939 nan 8.270 nan 0.000 0.455 476 S N 1.879 117.688 115.700 0.182 0.000 2.540 476 S HA 0.822 5.291 4.470 -0.002 0.000 0.275 476 S C -0.959 173.909 174.600 0.447 0.000 1.123 476 S CA -0.585 57.779 58.200 0.274 0.000 0.907 476 S CB 2.067 65.452 63.200 0.308 0.000 1.081 476 S HN 0.452 nan 8.310 nan 0.000 0.476 477 S N 1.173 117.022 115.700 0.248 0.000 2.661 477 S HA 0.851 5.320 4.470 -0.002 0.000 0.285 477 S C -1.421 172.994 174.600 -0.308 0.000 1.138 477 S CA -0.712 57.498 58.200 0.016 0.000 0.855 477 S CB 1.491 64.675 63.200 -0.028 0.000 1.136 477 S HN 0.983 nan 8.310 nan 0.000 0.484 478 I N 1.570 121.766 120.570 -0.624 0.000 2.692 478 I HA 0.353 4.522 4.170 -0.002 0.000 0.293 478 I C -1.000 174.854 176.117 -0.438 0.000 1.200 478 I CA -0.613 60.326 61.300 -0.601 0.000 1.036 478 I CB 1.800 39.218 38.000 -0.969 0.000 1.258 478 I HN 0.681 nan 8.210 nan 0.000 0.421 479 D N 4.143 124.376 120.400 -0.278 0.000 2.478 479 D HA 0.046 4.685 4.640 -0.002 0.000 0.234 479 D C -0.786 175.390 176.300 -0.206 0.000 1.154 479 D CA 0.600 54.487 54.000 -0.189 0.000 0.874 479 D CB 0.852 41.580 40.800 -0.121 0.000 1.198 479 D HN 0.509 nan 8.370 nan 0.000 0.455 480 S N 1.692 117.331 115.700 -0.101 0.000 2.475 480 S HA 0.290 4.759 4.470 -0.002 0.000 0.249 480 S C -0.335 174.388 174.600 0.206 0.000 1.298 480 S CA -0.570 57.618 58.200 -0.020 0.000 1.125 480 S CB 0.499 63.834 63.200 0.226 0.000 1.054 480 S HN 0.374 nan 8.310 nan 0.000 0.484 481 S N 1.730 117.487 115.700 0.096 0.000 2.548 481 S HA 0.461 4.930 4.470 -0.002 0.000 0.168 481 S C 0.191 174.830 174.600 0.065 0.000 1.068 481 S CA -0.207 58.071 58.200 0.129 0.000 1.129 481 S CB -0.123 63.109 63.200 0.053 0.000 1.435 481 S HN 0.625 nan 8.310 nan 0.000 0.410 482 A N 2.029 124.918 122.820 0.115 0.000 2.390 482 A HA 0.574 4.893 4.320 -0.002 0.000 0.232 482 A C 1.283 178.911 177.584 0.073 0.000 1.233 482 A CA 0.639 52.703 52.037 0.044 0.000 0.907 482 A CB -0.868 18.111 19.000 -0.034 0.000 0.967 482 A HN 2.151 nan 8.150 nan 0.000 0.512 483 F N -1.982 118.030 119.950 0.104 0.000 2.914 483 F HA 0.133 4.659 4.527 -0.002 0.000 0.304 483 F C 0.484 176.329 175.800 0.075 0.000 0.712 483 F CA 1.652 59.694 58.000 0.071 0.000 1.211 483 F CB -2.282 36.743 39.000 0.041 0.000 1.515 483 F HN 1.338 nan 8.300 nan 0.000 0.350 484 K N -1.723 118.748 120.400 0.118 0.000 2.512 484 K HA 1.131 5.450 4.320 -0.002 0.000 0.263 484 K C -0.406 176.301 176.600 0.177 0.000 0.966 484 K CA 0.615 56.968 56.287 0.109 0.000 0.851 484 K CB 0.652 33.202 32.500 0.084 0.000 1.395 484 K HN 2.871 nan 8.250 nan 0.000 0.440 485 H N -1.850 117.299 119.070 0.132 0.000 3.161 485 H HA 0.801 5.356 4.556 -0.002 0.000 0.285 485 H C 0.896 176.291 175.328 0.112 0.000 1.588 485 H CA 0.794 56.928 56.048 0.144 0.000 1.218 485 H CB 0.115 29.900 29.762 0.037 0.000 1.841 485 H HN 2.448 nan 8.280 nan 0.000 0.623 486 N N -1.385 117.369 118.700 0.090 0.000 2.708 486 N HA 0.331 5.070 4.740 -0.002 0.000 0.255 486 N C 1.120 176.685 175.510 0.092 0.000 1.046 486 N CA 1.983 55.077 53.050 0.074 0.000 0.715 486 N CB -1.589 36.926 38.487 0.048 0.000 0.895 486 N HN 2.341 nan 8.380 nan 0.000 0.545 487 G N -1.799 107.079 108.800 0.131 0.000 2.815 487 G HA2 1.017 4.976 3.960 -0.002 0.000 0.305 487 G HA3 1.017 4.976 3.960 -0.002 0.000 0.305 487 G C -0.198 174.788 174.900 0.143 0.000 1.277 487 G CA 0.896 46.068 45.100 0.120 0.000 0.795 487 G HN 1.856 nan 8.290 nan 0.000 0.528 488 T N -2.551 112.074 114.554 0.119 0.000 2.971 488 T HA 0.651 5.001 4.350 -0.002 0.000 0.304 488 T C -1.016 173.757 174.700 0.122 0.000 1.038 488 T CA -0.571 61.607 62.100 0.131 0.000 1.007 488 T CB 1.648 70.567 68.868 0.086 0.000 1.055 488 T HN 0.641 nan 8.240 nan 0.000 0.451 489 V N 2.526 122.552 119.914 0.187 0.000 2.612 489 V HA 0.585 4.704 4.120 -0.002 0.000 0.301 489 V C 0.145 176.368 176.094 0.214 0.000 1.046 489 V CA -0.654 61.782 62.300 0.226 0.000 0.946 489 V CB 1.628 33.627 31.823 0.293 0.000 1.003 489 V HN 0.974 nan 8.190 nan 0.000 0.459 490 E N 1.082 121.384 120.200 0.170 0.000 2.256 490 E HA 0.431 4.780 4.350 -0.002 0.000 0.267 490 E C -1.548 175.057 176.600 0.007 0.000 0.892 490 E CA -0.528 55.856 56.400 -0.026 0.000 0.775 490 E CB 2.266 31.913 29.700 -0.089 0.000 1.207 490 E HN 0.743 nan 8.360 nan 0.000 0.420 491 c N 2.781 121.220 118.600 -0.268 0.000 2.281 491 c HA 0.731 5.300 4.570 -0.002 0.000 0.325 491 c C -0.226 173.614 174.090 -0.416 0.000 1.282 491 c CA -0.255 55.774 56.329 -0.500 0.000 1.640 491 c CB -0.842 41.400 42.510 -0.446 0.000 2.288 491 c HN 0.718 nan 8.230 nan 0.000 0.507 492 K N 3.753 123.898 120.400 -0.425 0.000 2.307 492 K HA 0.827 5.146 4.320 -0.002 0.000 0.263 492 K C -0.419 176.021 176.600 -0.267 0.000 0.973 492 K CA 0.132 56.252 56.287 -0.278 0.000 0.846 492 K CB 1.452 33.837 32.500 -0.191 0.000 1.100 492 K HN 1.451 nan 8.250 nan 0.000 0.438 493 A N 1.579 124.279 122.820 -0.199 0.000 2.277 493 A HA 0.711 5.030 4.320 -0.002 0.000 0.318 493 A C 0.039 177.561 177.584 -0.103 0.000 1.339 493 A CA -0.399 51.547 52.037 -0.151 0.000 0.875 493 A CB -0.666 18.257 19.000 -0.129 0.000 1.158 493 A HN 1.650 nan 8.150 nan 0.000 0.514 494 Y N 1.266 121.514 120.300 -0.088 0.000 2.354 494 Y HA 0.803 5.352 4.550 -0.002 0.000 0.322 494 Y C 0.181 176.056 175.900 -0.042 0.000 1.253 494 Y CA -0.840 57.224 58.100 -0.060 0.000 1.272 494 Y CB 0.815 39.243 38.460 -0.052 0.000 1.255 494 Y HN 0.888 nan 8.280 nan 0.000 0.500 495 N N 0.315 118.999 118.700 -0.026 0.000 2.635 495 N HA 0.214 4.954 4.740 -0.002 0.000 0.260 495 N C 0.385 175.899 175.510 0.006 0.000 1.078 495 N CA 0.504 53.549 53.050 -0.009 0.000 1.012 495 N CB 1.282 39.768 38.487 -0.002 0.000 1.677 495 N HN 0.947 nan 8.380 nan 0.000 0.514 496 D N 2.161 122.573 120.400 0.020 0.000 2.276 496 D HA -0.199 4.440 4.640 -0.002 0.000 0.200 496 D C 1.770 178.091 176.300 0.034 0.000 1.004 496 D CA 2.697 56.716 54.000 0.033 0.000 0.898 496 D CB -0.382 40.453 40.800 0.058 0.000 0.906 496 D HN 0.552 nan 8.370 nan 0.000 0.457 497 V N -1.249 118.686 119.914 0.035 0.000 2.500 497 V HA 0.552 4.671 4.120 -0.002 0.000 0.243 497 V C 1.774 177.876 176.094 0.013 0.000 1.039 497 V CA 2.167 64.485 62.300 0.030 0.000 1.053 497 V CB 0.014 31.859 31.823 0.036 0.000 0.695 497 V HN 0.908 nan 8.190 nan 0.000 0.463 498 G N -1.829 106.973 108.800 0.004 0.000 2.510 498 G HA2 0.732 4.691 3.960 -0.002 0.000 0.277 498 G HA3 0.732 4.691 3.960 -0.002 0.000 0.277 498 G C -0.943 173.945 174.900 -0.021 0.000 1.223 498 G CA 0.681 45.776 45.100 -0.008 0.000 0.887 498 G HN 1.143 nan 8.290 nan 0.000 0.485 499 K N -1.566 118.816 120.400 -0.031 0.000 2.575 499 K HA 0.926 5.245 4.320 -0.002 0.000 0.279 499 K C -0.761 175.804 176.600 -0.058 0.000 0.969 499 K CA 0.087 56.346 56.287 -0.048 0.000 0.868 499 K CB 1.624 34.093 32.500 -0.052 0.000 1.457 499 K HN 1.694 nan 8.250 nan 0.000 0.426 500 T N -0.391 114.116 114.554 -0.079 0.000 2.821 500 T HA 0.823 5.172 4.350 -0.002 0.000 0.306 500 T C -1.297 173.320 174.700 -0.138 0.000 1.313 500 T CA 0.483 62.527 62.100 -0.095 0.000 1.012 500 T CB 1.300 70.120 68.868 -0.080 0.000 1.298 500 T HN 1.986 nan 8.240 nan 0.000 0.502 501 S N 0.740 116.337 115.700 -0.171 0.000 2.611 501 S HA 0.904 5.373 4.470 -0.002 0.000 0.268 501 S C -1.110 173.291 174.600 -0.331 0.000 1.156 501 S CA -0.498 57.556 58.200 -0.243 0.000 0.817 501 S CB 1.168 64.240 63.200 -0.213 0.000 1.122 501 S HN 1.457 nan 8.310 nan 0.000 0.466 502 A N -0.230 122.301 122.820 -0.482 0.000 2.527 502 A HA 0.966 5.285 4.320 -0.002 0.000 0.293 502 A C -0.814 176.322 177.584 -0.747 0.000 1.117 502 A CA -0.603 51.006 52.037 -0.713 0.000 0.723 502 A CB 0.579 18.841 19.000 -1.229 0.000 1.313 502 A HN 2.253 nan 8.150 nan 0.000 0.411 503 Y N -0.177 119.717 120.300 -0.677 0.000 2.446 503 Y HA 0.770 5.319 4.550 -0.002 0.000 0.345 503 Y C -1.222 174.413 175.900 -0.442 0.000 0.984 503 Y CA -1.517 56.277 58.100 -0.511 0.000 1.058 503 Y CB 0.930 39.262 38.460 -0.213 0.000 1.220 503 Y HN 0.718 nan 8.280 nan 0.000 0.455 504 F N 1.157 121.171 119.950 0.106 0.000 2.631 504 F HA 0.713 5.239 4.527 -0.001 0.000 0.350 504 F C -0.154 175.729 175.800 0.138 0.000 1.080 504 F CA -1.946 56.148 58.000 0.157 0.000 1.026 504 F CB 1.808 40.922 39.000 0.189 0.000 1.347 504 F HN 0.574 nan 8.300 nan 0.000 0.501 505 N N -0.399 118.534 118.700 0.388 0.000 2.312 505 N HA 0.532 5.271 4.740 -0.002 0.000 0.296 505 N C -1.812 173.914 175.510 0.361 0.000 1.193 505 N CA -0.287 52.933 53.050 0.283 0.000 0.773 505 N CB 2.719 41.324 38.487 0.196 0.000 1.435 505 N HN 0.401 nan 8.380 nan 0.000 0.484 506 F N 0.199 120.198 119.950 0.081 0.000 2.692 506 F HA 0.810 5.336 4.527 -0.002 0.000 0.320 506 F C -0.985 174.836 175.800 0.034 0.000 1.123 506 F CA -0.489 57.540 58.000 0.049 0.000 0.961 506 F CB 1.551 40.577 39.000 0.044 0.000 1.383 506 F HN 0.616 nan 8.300 nan 0.000 0.483 507 A N 0.000 122.487 122.820 -0.554 0.000 2.254 507 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 507 A CA 0.000 51.835 52.037 -0.337 0.000 0.836 507 A CB 0.000 18.868 19.000 -0.220 0.000 0.831 507 A HN 0.000 nan 8.150 nan 0.000 0.486