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 2c9g_1_A DATA FIRST_RESID 49 DATA SEQUENCE TGGRNSIRYS ELAPLFDTTR VYLVDNKSTD VASLNYQNDH SNFLTTVIQN DATA SEQUENCE NDYSPGEAST QTINLDDRSH WGGDLKTILH TNMPNVNEFM FTNKFKARVM DATA SEQUENCE VSRSLTKDKQ VELKYEWVEF TLPEGNYSET MTIDLMNNAI VEHYLKVGRQ DATA SEQUENCE NGVLESDIGV KFDTRNFRLG FDPVTGLVMP GVYTNEAFHP DIILLPGCGV DATA SEQUENCE DFTHSRLSNL LGIRKRQPFQ EGFRITYDDL EGGNIPALLD VDAYQASLKD DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXPQKKPV IKPLTEDSKK RSYNLISNDS DATA SEQUENCE TFTQYRSWYL AYNYGDPQTG IRSWTLLCTP DVTCGSEQVY WSLPDMMQDP DATA SEQUENCE VTFRSTSQIS NFPVVGAELL PVHSKSFYND QAVYSQLIRQ FTSLTHVFNR DATA SEQUENCE FPENQILARP PAPTITTVSE NVPALTDHGT LPLRNSIGGV QRVTITDARR DATA SEQUENCE RTCPYVYKAL GIVSPRVLSS RT 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 49 T HA 0.000 nan 4.350 nan 0.000 0.228 49 T C 0.000 174.705 174.700 0.008 0.000 1.109 49 T CA 0.000 62.076 62.100 -0.041 0.000 1.349 49 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 50 G N 1.318 110.131 108.800 0.022 0.000 3.181 50 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.292 50 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.292 50 G C 1.336 176.287 174.900 0.086 0.000 0.965 50 G CA 1.953 47.078 45.100 0.043 0.000 0.846 50 G HN 1.212 nan 8.290 nan 0.000 1.096 51 G N -0.633 108.206 108.800 0.065 0.000 2.939 51 G HA2 0.233 4.192 3.960 -0.001 0.000 0.210 51 G HA3 0.233 4.192 3.960 -0.001 0.000 0.210 51 G C 1.604 176.551 174.900 0.078 0.000 1.160 51 G CA 0.844 45.996 45.100 0.087 0.000 0.770 51 G HN 0.636 nan 8.290 nan 0.000 0.543 52 R N 0.776 121.304 120.500 0.046 0.000 2.323 52 R HA 0.121 4.460 4.340 -0.001 0.000 0.198 52 R C 1.573 177.916 176.300 0.070 0.000 0.988 52 R CA 0.300 56.412 56.100 0.020 0.000 1.041 52 R CB -0.012 30.245 30.300 -0.072 0.000 0.926 52 R HN 0.263 nan 8.270 nan 0.000 0.476 53 N N 1.524 120.302 118.700 0.129 0.000 2.131 53 N HA -0.110 4.629 4.740 -0.001 0.000 0.190 53 N C 0.391 176.036 175.510 0.224 0.000 1.055 53 N CA 1.157 54.346 53.050 0.232 0.000 0.853 53 N CB -0.788 37.867 38.487 0.280 0.000 1.035 53 N HN 0.140 nan 8.380 nan 0.000 0.440 54 S N 0.991 116.580 115.700 -0.186 0.000 4.684 54 S HA -0.207 4.263 4.470 -0.001 0.000 0.558 54 S C 0.065 174.533 174.600 -0.220 0.000 0.881 54 S CA 0.113 58.054 58.200 -0.432 0.000 1.166 54 S CB -1.443 61.592 63.200 -0.275 0.000 2.091 54 S HN 0.282 nan 8.310 nan 0.000 0.346 55 I N 4.517 124.905 120.570 -0.303 0.000 2.354 55 I HA 0.405 4.575 4.170 -0.001 0.000 0.286 55 I C 0.711 176.704 176.117 -0.207 0.000 1.007 55 I CA -0.612 60.514 61.300 -0.290 0.000 1.167 55 I CB 1.179 39.004 38.000 -0.292 0.000 1.320 55 I HN 0.645 nan 8.210 nan 0.000 0.458 56 R N 5.041 125.446 120.500 -0.158 0.000 2.732 56 R HA 0.626 4.966 4.340 -0.001 0.000 0.278 56 R C -1.409 174.898 176.300 0.011 0.000 0.976 56 R CA -0.878 55.177 56.100 -0.076 0.000 0.963 56 R CB 2.623 32.872 30.300 -0.086 0.000 1.150 56 R HN 0.422 nan 8.270 nan 0.000 0.478 57 Y N -0.107 120.133 120.300 -0.099 0.000 2.638 57 Y HA 0.261 4.810 4.550 -0.001 0.000 0.339 57 Y C -0.318 175.540 175.900 -0.069 0.000 1.084 57 Y CA -0.984 57.063 58.100 -0.088 0.000 1.068 57 Y CB 1.991 40.408 38.460 -0.072 0.000 1.294 57 Y HN 0.687 nan 8.280 nan 0.000 0.480 58 S N 2.414 117.486 115.700 -1.046 0.000 2.544 58 S HA 0.027 4.497 4.470 -0.001 0.000 0.290 58 S C 0.530 174.962 174.600 -0.280 0.000 1.276 58 S CA 0.805 58.629 58.200 -0.626 0.000 1.075 58 S CB -0.199 62.554 63.200 -0.744 0.000 0.849 58 S HN 0.890 nan 8.310 nan 0.000 0.494 59 E N 0.929 121.057 120.200 -0.119 0.000 3.340 59 E HA -0.301 4.048 4.350 -0.001 0.000 0.246 59 E C 0.985 177.623 176.600 0.063 0.000 0.762 59 E CA 1.375 57.767 56.400 -0.013 0.000 0.783 59 E CB -1.035 28.667 29.700 0.003 0.000 1.409 59 E HN 0.718 nan 8.360 nan 0.000 0.449 60 L N -0.391 120.921 121.223 0.148 0.000 2.642 60 L HA 0.023 4.363 4.340 -0.001 0.000 0.236 60 L C 0.490 177.437 176.870 0.130 0.000 1.169 60 L CA 1.473 56.434 54.840 0.201 0.000 0.851 60 L CB -0.378 41.899 42.059 0.363 0.000 0.968 60 L HN 0.319 nan 8.230 nan 0.000 0.453 61 A N -2.602 120.275 122.820 0.096 0.000 2.437 61 A HA -0.002 4.318 4.320 -0.001 0.000 0.686 61 A C -2.427 175.196 177.584 0.064 0.000 0.140 61 A CA -0.460 51.623 52.037 0.078 0.000 0.026 61 A CB -2.008 17.042 19.000 0.083 0.000 3.974 61 A HN 0.154 nan 8.150 nan 0.000 0.548 62 P HA 0.592 nan 4.420 nan 0.000 0.276 62 P C -0.818 176.514 177.300 0.052 0.000 1.235 62 P CA -0.165 62.935 63.100 -0.000 0.000 0.772 62 P CB 0.687 32.450 31.700 0.106 0.000 0.871 63 L N 4.321 125.492 121.223 -0.087 0.000 2.346 63 L HA 0.592 4.931 4.340 -0.001 0.000 0.274 63 L C -1.226 175.579 176.870 -0.107 0.000 1.007 63 L CA -0.402 54.453 54.840 0.026 0.000 0.818 63 L CB 0.874 42.924 42.059 -0.014 0.000 1.284 63 L HN 0.182 nan 8.230 nan 0.000 0.424 64 F N 3.057 123.038 119.950 0.050 0.000 2.482 64 F HA 0.561 5.088 4.527 -0.001 0.000 0.331 64 F C -0.038 175.822 175.800 0.099 0.000 1.115 64 F CA -0.534 57.514 58.000 0.080 0.000 0.955 64 F CB 1.295 40.332 39.000 0.063 0.000 1.136 64 F HN 0.564 nan 8.300 nan 0.000 0.452 65 D N -0.520 120.061 120.400 0.302 0.000 9.601 65 D HA -0.223 4.416 4.640 -0.001 0.000 0.351 65 D C 0.043 176.484 176.300 0.235 0.000 2.917 65 D CA 0.511 54.677 54.000 0.276 0.000 2.218 65 D CB -0.409 40.506 40.800 0.192 0.000 1.166 65 D HN 0.615 nan 8.370 nan 0.000 1.105 66 T N -0.629 114.058 114.554 0.222 0.000 2.870 66 T HA 0.238 4.587 4.350 -0.001 0.000 0.311 66 T C 0.424 175.163 174.700 0.065 0.000 1.052 66 T CA 1.797 63.986 62.100 0.149 0.000 1.131 66 T CB 0.200 69.127 68.868 0.099 0.000 1.082 66 T HN 0.585 nan 8.240 nan 0.000 0.511 67 T N 3.480 118.035 114.554 0.001 0.000 2.589 67 T HA 0.623 4.972 4.350 -0.001 0.000 0.261 67 T C -1.651 172.986 174.700 -0.106 0.000 0.936 67 T CA -0.803 61.273 62.100 -0.041 0.000 1.202 67 T CB 0.946 69.777 68.868 -0.061 0.000 1.576 67 T HN 0.669 nan 8.240 nan 0.000 0.464 68 R N 1.049 121.447 120.500 -0.170 0.000 2.522 68 R HA 0.582 4.921 4.340 -0.001 0.000 0.283 68 R C -1.260 174.764 176.300 -0.460 0.000 1.074 68 R CA -0.736 55.158 56.100 -0.344 0.000 0.925 68 R CB 1.978 32.008 30.300 -0.450 0.000 1.205 68 R HN 0.619 nan 8.270 nan 0.000 0.436 69 V N -0.054 119.589 119.914 -0.452 0.000 2.581 69 V HA 0.658 4.777 4.120 -0.001 0.000 0.303 69 V C -1.063 174.784 176.094 -0.412 0.000 1.041 69 V CA -0.814 61.293 62.300 -0.323 0.000 0.907 69 V CB 1.351 33.064 31.823 -0.184 0.000 0.994 69 V HN 0.596 nan 8.190 nan 0.000 0.442 70 Y N 3.591 123.868 120.300 -0.038 0.000 2.341 70 Y HA 0.667 5.217 4.550 -0.000 0.000 0.338 70 Y C -0.020 175.882 175.900 0.003 0.000 0.965 70 Y CA -0.896 57.193 58.100 -0.018 0.000 1.108 70 Y CB 1.974 40.428 38.460 -0.011 0.000 1.180 70 Y HN 0.543 nan 8.280 nan 0.000 0.458 71 L N 5.845 127.168 121.223 0.167 0.000 2.272 71 L HA 0.576 4.915 4.340 -0.001 0.000 0.284 71 L C -0.598 176.402 176.870 0.217 0.000 1.045 71 L CA -0.855 54.072 54.840 0.144 0.000 0.842 71 L CB 0.348 42.456 42.059 0.083 0.000 1.224 71 L HN 0.487 nan 8.230 nan 0.000 0.430 72 V N -0.374 119.677 119.914 0.228 0.000 2.789 72 V HA 0.485 4.604 4.120 -0.001 0.000 0.311 72 V C 0.150 176.393 176.094 0.250 0.000 1.073 72 V CA -0.660 61.762 62.300 0.203 0.000 0.921 72 V CB 2.121 33.997 31.823 0.088 0.000 1.009 72 V HN 0.630 nan 8.190 nan 0.000 0.426 73 D N 3.563 124.018 120.400 0.092 0.000 2.202 73 D HA -0.124 4.515 4.640 -0.001 0.000 0.214 73 D C 1.333 177.604 176.300 -0.049 0.000 0.967 73 D CA 1.578 55.505 54.000 -0.121 0.000 0.871 73 D CB -0.671 39.703 40.800 -0.710 0.000 1.020 73 D HN 0.748 nan 8.370 nan 0.000 0.474 74 N N 1.191 119.841 118.700 -0.083 0.000 2.651 74 N HA -0.196 4.544 4.740 -0.001 0.000 0.193 74 N C 0.330 175.840 175.510 -0.000 0.000 1.149 74 N CA 0.309 53.335 53.050 -0.040 0.000 0.933 74 N CB -0.737 37.706 38.487 -0.074 0.000 0.974 74 N HN 0.235 nan 8.380 nan 0.000 0.448 75 K N 1.087 121.501 120.400 0.023 0.000 2.402 75 K HA 0.038 4.358 4.320 -0.001 0.000 0.285 75 K C 0.830 177.455 176.600 0.042 0.000 1.054 75 K CA 0.095 56.402 56.287 0.032 0.000 1.001 75 K CB 0.478 33.010 32.500 0.053 0.000 0.946 75 K HN 0.279 nan 8.250 nan 0.000 0.473 76 S N 2.072 117.791 115.700 0.031 0.000 2.365 76 S HA -0.254 4.216 4.470 -0.001 0.000 0.225 76 S C 1.975 176.602 174.600 0.045 0.000 1.039 76 S CA 2.041 60.263 58.200 0.035 0.000 1.033 76 S CB -0.888 62.327 63.200 0.025 0.000 0.887 76 S HN 0.860 nan 8.310 nan 0.000 0.447 77 T N 0.600 115.180 114.554 0.043 0.000 2.788 77 T HA -0.170 4.180 4.350 -0.001 0.000 0.268 77 T C 1.378 176.115 174.700 0.061 0.000 1.044 77 T CA 1.513 63.641 62.100 0.048 0.000 1.139 77 T CB -0.755 68.141 68.868 0.046 0.000 0.867 77 T HN 0.280 nan 8.240 nan 0.000 0.454 78 D N 1.466 121.909 120.400 0.071 0.000 2.087 78 D HA -0.067 4.573 4.640 -0.001 0.000 0.192 78 D C 2.448 178.809 176.300 0.101 0.000 0.993 78 D CA 1.209 55.263 54.000 0.090 0.000 0.828 78 D CB -0.908 39.958 40.800 0.111 0.000 0.968 78 D HN 0.306 nan 8.370 nan 0.000 0.448 79 V N 2.106 122.078 119.914 0.098 0.000 2.225 79 V HA -0.376 3.744 4.120 -0.001 0.000 0.252 79 V C 2.637 178.816 176.094 0.143 0.000 1.055 79 V CA 2.725 65.088 62.300 0.105 0.000 1.032 79 V CB -1.269 30.600 31.823 0.077 0.000 0.655 79 V HN 0.287 nan 8.190 nan 0.000 0.458 80 A N 0.361 123.257 122.820 0.126 0.000 1.929 80 A HA -0.329 3.991 4.320 -0.001 0.000 0.221 80 A C 2.427 180.063 177.584 0.088 0.000 1.211 80 A CA 3.652 55.765 52.037 0.127 0.000 0.657 80 A CB -0.915 18.128 19.000 0.071 0.000 0.827 80 A HN 0.858 nan 8.150 nan 0.000 0.462 81 S N -1.736 114.008 115.700 0.072 0.000 2.456 81 S HA 0.261 4.731 4.470 -0.001 0.000 0.224 81 S C 1.668 176.308 174.600 0.067 0.000 1.035 81 S CA 0.881 59.110 58.200 0.047 0.000 0.940 81 S CB -0.255 62.970 63.200 0.041 0.000 0.799 81 S HN 0.434 nan 8.310 nan 0.000 0.508 82 L N 1.129 122.412 121.223 0.099 0.000 2.590 82 L HA 0.290 4.629 4.340 -0.001 0.000 0.181 82 L C 0.306 177.258 176.870 0.136 0.000 1.134 82 L CA 0.246 55.149 54.840 0.105 0.000 0.850 82 L CB -0.510 41.610 42.059 0.101 0.000 1.172 82 L HN 0.240 nan 8.230 nan 0.000 0.498 83 N N -0.206 118.588 118.700 0.156 0.000 2.802 83 N HA -0.043 4.696 4.740 -0.001 0.000 0.288 83 N C 0.643 176.240 175.510 0.145 0.000 1.268 83 N CA -0.219 52.925 53.050 0.158 0.000 1.035 83 N CB -0.483 38.122 38.487 0.196 0.000 1.353 83 N HN 0.250 nan 8.380 nan 0.000 0.522 84 Y N 1.190 121.509 120.300 0.030 0.000 2.114 84 Y HA -0.128 4.421 4.550 -0.001 0.000 0.284 84 Y C 1.962 177.861 175.900 -0.002 0.000 1.143 84 Y CA 1.795 59.900 58.100 0.009 0.000 1.135 84 Y CB 0.153 38.619 38.460 0.010 0.000 0.980 84 Y HN 0.275 nan 8.280 nan 0.000 0.499 85 Q N 0.501 120.387 119.800 0.144 0.000 2.482 85 Q HA -0.029 4.311 4.340 -0.001 0.000 0.209 85 Q C -0.177 175.820 176.000 -0.005 0.000 0.961 85 Q CA -0.091 55.736 55.803 0.040 0.000 0.945 85 Q CB 0.033 28.833 28.738 0.104 0.000 1.012 85 Q HN 0.475 nan 8.270 nan 0.000 0.515 86 N N 1.021 119.728 118.700 0.012 0.000 2.538 86 N HA 0.150 4.890 4.740 -0.001 0.000 0.292 86 N C -0.635 174.845 175.510 -0.051 0.000 1.262 86 N CA -0.111 52.951 53.050 0.020 0.000 0.976 86 N CB 0.809 39.358 38.487 0.104 0.000 1.161 86 N HN 0.090 nan 8.380 nan 0.000 0.598 87 D N -1.817 118.567 120.400 -0.026 0.000 2.559 87 D HA 0.186 4.825 4.640 -0.001 0.000 0.250 87 D C 0.436 176.715 176.300 -0.034 0.000 1.135 87 D CA -0.352 53.572 54.000 -0.126 0.000 0.955 87 D CB 0.406 41.127 40.800 -0.133 0.000 1.442 87 D HN 0.301 nan 8.370 nan 0.000 0.471 88 H N -0.143 118.856 119.070 -0.119 0.000 2.520 88 H HA -0.088 4.467 4.556 -0.001 0.000 0.295 88 H C 1.359 176.684 175.328 -0.005 0.000 1.096 88 H CA 1.440 57.366 56.048 -0.203 0.000 1.249 88 H CB -0.037 29.598 29.762 -0.210 0.000 1.365 88 H HN 0.361 nan 8.280 nan 0.000 0.556 89 S N -0.160 115.639 115.700 0.165 0.000 2.577 89 S HA 0.014 4.484 4.470 -0.001 0.000 0.219 89 S C 0.159 174.886 174.600 0.211 0.000 0.962 89 S CA -0.117 58.169 58.200 0.143 0.000 0.921 89 S CB -0.229 62.994 63.200 0.039 0.000 0.789 89 S HN 0.540 nan 8.310 nan 0.000 0.497 90 N N 0.701 119.604 118.700 0.338 0.000 3.357 90 N HA 0.228 4.968 4.740 -0.001 0.000 0.206 90 N C -0.920 174.798 175.510 0.347 0.000 1.458 90 N CA -0.599 52.614 53.050 0.272 0.000 0.776 90 N CB -0.152 38.434 38.487 0.165 0.000 1.626 90 N HN 0.251 nan 8.380 nan 0.000 0.644 91 F N 0.150 120.157 119.950 0.094 0.000 2.691 91 F HA 0.780 5.307 4.527 -0.000 0.000 0.334 91 F C -1.216 174.635 175.800 0.085 0.000 1.107 91 F CA -1.240 56.812 58.000 0.087 0.000 0.991 91 F CB 1.347 40.406 39.000 0.098 0.000 1.400 91 F HN -0.047 nan 8.300 nan 0.000 0.503 92 L N 0.932 122.272 121.223 0.196 0.000 2.342 92 L HA 0.732 5.071 4.340 -0.001 0.000 0.271 92 L C -0.776 176.187 176.870 0.156 0.000 1.008 92 L CA -0.662 54.212 54.840 0.056 0.000 0.818 92 L CB 2.291 44.398 42.059 0.080 0.000 1.296 92 L HN 0.780 nan 8.230 nan 0.000 0.427 93 T N -0.392 114.200 114.554 0.064 0.000 2.909 93 T HA 0.255 4.605 4.350 -0.001 0.000 0.299 93 T C -0.521 174.220 174.700 0.068 0.000 1.073 93 T CA -0.438 61.736 62.100 0.123 0.000 0.999 93 T CB 2.165 71.115 68.868 0.136 0.000 1.098 93 T HN 0.531 nan 8.240 nan 0.000 0.477 94 T N 1.355 115.957 114.554 0.080 0.000 2.743 94 T HA 0.313 4.663 4.350 -0.001 0.000 0.293 94 T C 0.946 175.679 174.700 0.054 0.000 0.945 94 T CA -0.322 61.812 62.100 0.057 0.000 1.030 94 T CB 0.763 69.670 68.868 0.064 0.000 0.912 94 T HN 0.427 nan 8.240 nan 0.000 0.483 95 V N 6.899 126.833 119.914 0.033 0.000 3.406 95 V HA 0.300 4.420 4.120 -0.001 0.000 0.263 95 V C 0.635 176.737 176.094 0.014 0.000 1.172 95 V CA 0.305 62.622 62.300 0.029 0.000 1.140 95 V CB -0.182 31.640 31.823 -0.002 0.000 0.784 95 V HN 0.754 nan 8.190 nan 0.000 0.467 96 I N 2.183 122.761 120.570 0.013 0.000 2.406 96 I HA 0.207 4.377 4.170 -0.001 0.000 0.293 96 I C 0.666 176.785 176.117 0.004 0.000 1.101 96 I CA 0.435 61.728 61.300 -0.012 0.000 1.334 96 I CB 0.833 38.861 38.000 0.047 0.000 1.421 96 I HN 0.374 nan 8.210 nan 0.000 0.513 97 Q N 5.016 124.798 119.800 -0.029 0.000 2.297 97 Q HA 0.132 4.472 4.340 -0.001 0.000 0.265 97 Q C 0.239 176.239 176.000 -0.000 0.000 0.904 97 Q CA -0.041 55.761 55.803 -0.002 0.000 0.969 97 Q CB -0.331 28.409 28.738 0.003 0.000 1.115 97 Q HN 0.544 nan 8.270 nan 0.000 0.433 98 N N 1.131 119.856 118.700 0.042 0.000 2.457 98 N HA 0.018 4.758 4.740 -0.001 0.000 0.250 98 N C 0.917 176.510 175.510 0.139 0.000 0.982 98 N CA -0.153 52.963 53.050 0.109 0.000 0.941 98 N CB 0.592 39.226 38.487 0.244 0.000 1.120 98 N HN -0.037 nan 8.380 nan 0.000 0.505 99 N N 3.316 122.056 118.700 0.067 0.000 2.182 99 N HA -0.234 4.506 4.740 -0.001 0.000 0.192 99 N C 0.224 175.736 175.510 0.002 0.000 1.007 99 N CA 1.704 54.773 53.050 0.031 0.000 0.873 99 N CB 0.065 38.556 38.487 0.008 0.000 0.998 99 N HN 0.610 nan 8.380 nan 0.000 0.436 100 D N -1.759 118.614 120.400 -0.045 0.000 2.340 100 D HA -0.041 4.599 4.640 -0.001 0.000 0.220 100 D C -0.274 175.789 176.300 -0.394 0.000 1.039 100 D CA 0.317 54.165 54.000 -0.253 0.000 0.866 100 D CB -0.002 40.533 40.800 -0.441 0.000 0.913 100 D HN 0.366 nan 8.370 nan 0.000 0.523 101 Y N 0.838 121.162 120.300 0.041 0.000 2.509 101 Y HA 0.238 4.788 4.550 -0.001 0.000 0.341 101 Y C 0.985 176.904 175.900 0.032 0.000 1.038 101 Y CA -1.086 57.037 58.100 0.039 0.000 1.089 101 Y CB 1.303 39.797 38.460 0.055 0.000 1.241 101 Y HN -0.286 nan 8.280 nan 0.000 0.468 102 S N 2.547 118.362 115.700 0.193 0.000 2.572 102 S HA 0.017 4.486 4.470 -0.001 0.000 0.267 102 S C -1.937 172.732 174.600 0.116 0.000 1.361 102 S CA -0.774 57.495 58.200 0.114 0.000 1.009 102 S CB 0.421 63.674 63.200 0.088 0.000 0.888 102 S HN 0.513 nan 8.310 nan 0.000 0.553 103 P HA 0.066 nan 4.420 nan 0.000 0.217 103 P C 1.752 179.090 177.300 0.063 0.000 1.154 103 P CA 0.993 64.137 63.100 0.074 0.000 0.841 103 P CB -0.325 31.414 31.700 0.064 0.000 0.788 104 G N 0.478 109.311 108.800 0.054 0.000 2.514 104 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.217 104 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.217 104 G C 1.624 176.548 174.900 0.041 0.000 1.198 104 G CA 1.194 46.319 45.100 0.041 0.000 0.780 104 G HN 0.296 nan 8.290 nan 0.000 0.565 105 E N 0.508 120.744 120.200 0.060 0.000 2.114 105 E HA -0.161 4.189 4.350 -0.001 0.000 0.199 105 E C 2.723 179.333 176.600 0.016 0.000 1.008 105 E CA 1.456 57.892 56.400 0.060 0.000 0.810 105 E CB -0.370 29.412 29.700 0.137 0.000 0.739 105 E HN 0.361 nan 8.360 nan 0.000 0.456 106 A N 0.743 123.588 122.820 0.042 0.000 1.908 106 A HA -0.229 4.091 4.320 -0.001 0.000 0.218 106 A C 2.322 179.899 177.584 -0.011 0.000 1.181 106 A CA 2.072 54.110 52.037 0.002 0.000 0.627 106 A CB -1.019 18.019 19.000 0.064 0.000 0.818 106 A HN 0.479 nan 8.150 nan 0.000 0.445 107 S N -0.929 114.775 115.700 0.007 0.000 2.488 107 S HA -0.142 4.328 4.470 -0.001 0.000 0.246 107 S C 1.543 176.131 174.600 -0.019 0.000 0.992 107 S CA 1.967 60.167 58.200 0.000 0.000 0.963 107 S CB -0.864 62.342 63.200 0.010 0.000 0.754 107 S HN 0.536 nan 8.310 nan 0.000 0.519 108 T N 1.930 116.462 114.554 -0.036 0.000 2.837 108 T HA 0.082 4.431 4.350 -0.001 0.000 0.248 108 T C 0.774 175.426 174.700 -0.079 0.000 1.033 108 T CA 0.378 62.446 62.100 -0.053 0.000 1.150 108 T CB -0.231 68.602 68.868 -0.059 0.000 0.865 108 T HN 0.618 nan 8.240 nan 0.000 0.425 109 Q N 1.957 121.686 119.800 -0.118 0.000 2.539 109 Q HA 0.286 4.626 4.340 -0.001 0.000 0.268 109 Q C -0.000 175.954 176.000 -0.076 0.000 1.109 109 Q CA 0.304 56.014 55.803 -0.155 0.000 0.968 109 Q CB 0.009 28.614 28.738 -0.222 0.000 1.309 109 Q HN 0.492 nan 8.270 nan 0.000 0.497 110 T N -2.846 111.661 114.554 -0.079 0.000 2.894 110 T HA 0.599 4.949 4.350 -0.001 0.000 0.309 110 T C -0.548 174.162 174.700 0.017 0.000 1.208 110 T CA -0.876 61.207 62.100 -0.029 0.000 1.016 110 T CB 0.787 69.618 68.868 -0.062 0.000 1.192 110 T HN 0.447 nan 8.240 nan 0.000 0.491 111 I N 2.884 123.460 120.570 0.011 0.000 2.342 111 I HA 0.310 4.479 4.170 -0.001 0.000 0.291 111 I C -0.124 175.933 176.117 -0.100 0.000 1.010 111 I CA -0.827 60.466 61.300 -0.011 0.000 1.308 111 I CB 0.765 38.723 38.000 -0.070 0.000 1.400 111 I HN 0.568 nan 8.210 nan 0.000 0.488 112 N N 8.180 126.806 118.700 -0.122 0.000 2.511 112 N HA 0.390 5.130 4.740 -0.001 0.000 0.249 112 N C -0.605 174.743 175.510 -0.271 0.000 0.971 112 N CA -0.448 52.502 53.050 -0.165 0.000 0.938 112 N CB 1.866 40.282 38.487 -0.118 0.000 1.131 112 N HN 0.428 nan 8.380 nan 0.000 0.505 113 L N 0.750 121.724 121.223 -0.414 0.000 2.426 113 L HA 0.122 4.462 4.340 -0.001 0.000 0.271 113 L C 1.155 177.829 176.870 -0.327 0.000 1.169 113 L CA -0.370 53.987 54.840 -0.805 0.000 0.836 113 L CB 0.531 41.732 42.059 -1.430 0.000 1.112 113 L HN 0.350 nan 8.230 nan 0.000 0.465 114 D N 1.897 122.298 120.400 0.001 0.000 2.525 114 D HA -0.154 4.486 4.640 -0.001 0.000 0.235 114 D C 0.668 177.137 176.300 0.281 0.000 1.137 114 D CA 0.286 54.421 54.000 0.225 0.000 0.868 114 D CB 0.955 41.942 40.800 0.311 0.000 1.180 114 D HN 0.548 nan 8.370 nan 0.000 0.465 115 D N 3.070 123.534 120.400 0.107 0.000 2.144 115 D HA -0.119 4.521 4.640 -0.001 0.000 0.200 115 D C 1.568 177.883 176.300 0.024 0.000 0.978 115 D CA 0.744 54.777 54.000 0.055 0.000 0.833 115 D CB 0.258 41.064 40.800 0.010 0.000 0.961 115 D HN 0.481 nan 8.370 nan 0.000 0.470 116 R N -0.106 120.408 120.500 0.023 0.000 2.328 116 R HA 0.057 4.396 4.340 -0.001 0.000 0.207 116 R C 0.450 176.692 176.300 -0.096 0.000 1.056 116 R CA 0.271 56.351 56.100 -0.033 0.000 1.016 116 R CB 0.193 30.484 30.300 -0.016 0.000 0.872 116 R HN -0.064 nan 8.270 nan 0.000 0.471 117 S N -0.336 115.310 115.700 -0.090 0.000 2.570 117 S HA 0.308 4.777 4.470 -0.001 0.000 0.286 117 S C -0.900 173.560 174.600 -0.233 0.000 1.099 117 S CA -0.865 57.190 58.200 -0.242 0.000 0.913 117 S CB 1.909 64.854 63.200 -0.424 0.000 1.085 117 S HN 0.144 nan 8.310 nan 0.000 0.480 118 H N 0.758 119.755 119.070 -0.122 0.000 2.690 118 H HA 0.194 4.749 4.556 -0.001 0.000 0.314 118 H C -0.925 174.347 175.328 -0.093 0.000 1.069 118 H CA 0.146 56.181 56.048 -0.022 0.000 1.436 118 H CB 0.427 30.171 29.762 -0.030 0.000 1.462 118 H HN 0.513 nan 8.280 nan 0.000 0.511 119 W N 1.309 122.650 121.300 0.068 0.000 2.485 119 W HA 0.527 5.187 4.660 -0.000 0.000 0.364 119 W C 0.509 177.036 176.519 0.013 0.000 1.171 119 W CA -0.454 56.905 57.345 0.023 0.000 1.304 119 W CB 1.437 30.891 29.460 -0.010 0.000 1.335 119 W HN 0.653 nan 8.180 nan 0.000 0.643 120 G N -0.550 108.423 108.800 0.288 0.000 2.690 120 G HA2 0.641 4.601 3.960 -0.001 0.000 0.293 120 G HA3 0.641 4.601 3.960 -0.001 0.000 0.293 120 G C -1.479 173.503 174.900 0.136 0.000 1.399 120 G CA -0.695 44.492 45.100 0.146 0.000 0.890 120 G HN 0.706 nan 8.290 nan 0.000 0.485 121 G N -0.314 108.521 108.800 0.059 0.000 2.612 121 G HA2 0.580 4.540 3.960 -0.001 0.000 0.298 121 G HA3 0.580 4.540 3.960 -0.001 0.000 0.298 121 G C -1.589 173.307 174.900 -0.005 0.000 1.336 121 G CA -0.623 44.492 45.100 0.024 0.000 0.953 121 G HN 0.398 nan 8.290 nan 0.000 0.482 122 D N 0.592 120.981 120.400 -0.018 0.000 2.232 122 D HA 0.304 4.943 4.640 -0.001 0.000 0.242 122 D C -0.570 175.701 176.300 -0.048 0.000 1.093 122 D CA -0.191 53.793 54.000 -0.027 0.000 0.845 122 D CB 2.648 43.434 40.800 -0.024 0.000 1.124 122 D HN 0.184 nan 8.370 nan 0.000 0.467 123 L N 2.836 124.034 121.223 -0.042 0.000 2.277 123 L HA 0.299 4.639 4.340 -0.001 0.000 0.284 123 L C -0.473 176.376 176.870 -0.035 0.000 1.028 123 L CA -0.305 54.498 54.840 -0.061 0.000 0.835 123 L CB 0.395 42.402 42.059 -0.087 0.000 1.215 123 L HN 0.115 nan 8.230 nan 0.000 0.425 124 K N 2.893 123.252 120.400 -0.068 0.000 2.156 124 K HA 0.723 5.042 4.320 -0.001 0.000 0.254 124 K C -0.607 175.935 176.600 -0.097 0.000 0.950 124 K CA -0.710 55.530 56.287 -0.079 0.000 0.849 124 K CB 2.043 34.508 32.500 -0.059 0.000 1.100 124 K HN 0.577 nan 8.250 nan 0.000 0.434 125 T N 1.485 115.976 114.554 -0.106 0.000 2.900 125 T HA 0.547 4.897 4.350 -0.001 0.000 0.303 125 T C -1.491 173.235 174.700 0.042 0.000 1.142 125 T CA -0.714 61.323 62.100 -0.105 0.000 1.007 125 T CB 0.787 69.394 68.868 -0.434 0.000 1.156 125 T HN 0.429 nan 8.240 nan 0.000 0.490 126 I N 4.237 124.882 120.570 0.125 0.000 2.420 126 I HA 0.450 4.619 4.170 -0.001 0.000 0.282 126 I C -1.093 175.182 176.117 0.264 0.000 1.019 126 I CA -0.875 60.518 61.300 0.155 0.000 1.130 126 I CB 1.552 39.604 38.000 0.087 0.000 1.262 126 I HN 0.358 nan 8.210 nan 0.000 0.454 127 L N 7.128 128.537 121.223 0.310 0.000 2.329 127 L HA 0.576 4.916 4.340 -0.001 0.000 0.279 127 L C -1.086 175.941 176.870 0.261 0.000 1.014 127 L CA -0.218 54.811 54.840 0.316 0.000 0.814 127 L CB 1.239 43.524 42.059 0.376 0.000 1.257 127 L HN 0.479 nan 8.230 nan 0.000 0.424 128 H N 2.219 121.339 119.070 0.082 0.000 3.018 128 H HA 0.635 5.191 4.556 -0.001 0.000 0.334 128 H C -0.617 174.776 175.328 0.109 0.000 0.983 128 H CA 0.111 56.212 56.048 0.088 0.000 1.363 128 H CB 1.246 31.075 29.762 0.112 0.000 1.668 128 H HN 0.838 nan 8.280 nan 0.000 0.513 129 T N 1.070 115.448 114.554 -0.294 0.000 2.780 129 T HA 0.361 4.710 4.350 -0.001 0.000 0.263 129 T C 0.238 174.725 174.700 -0.354 0.000 0.993 129 T CA -0.380 61.588 62.100 -0.221 0.000 1.010 129 T CB 0.953 69.774 68.868 -0.078 0.000 1.642 129 T HN 0.673 nan 8.240 nan 0.000 0.587 130 N N -1.439 117.173 118.700 -0.148 0.000 2.405 130 N HA 0.021 4.761 4.740 -0.001 0.000 0.221 130 N C -0.452 175.016 175.510 -0.070 0.000 1.386 130 N CA -0.434 52.540 53.050 -0.126 0.000 1.332 130 N CB -1.176 37.245 38.487 -0.111 0.000 1.256 130 N HN 0.800 nan 8.380 nan 0.000 0.587 131 M N 1.315 120.831 119.600 -0.140 0.000 2.249 131 M HA 0.286 4.766 4.480 -0.001 0.000 0.340 131 M C -2.325 173.733 176.300 -0.402 0.000 1.166 131 M CA -0.404 54.593 55.300 -0.504 0.000 1.115 131 M CB 0.661 32.926 32.600 -0.558 0.000 1.606 131 M HN -0.034 nan 8.290 nan 0.000 0.448 132 P HA 0.285 nan 4.420 nan 0.000 0.280 132 P C -0.456 176.666 177.300 -0.296 0.000 1.272 132 P CA -0.486 62.426 63.100 -0.313 0.000 0.819 132 P CB 0.572 32.105 31.700 -0.278 0.000 1.122 133 N N 0.413 118.961 118.700 -0.253 0.000 1.997 133 N HA -0.118 4.621 4.740 -0.001 0.000 0.198 133 N C 0.037 175.441 175.510 -0.175 0.000 1.063 133 N CA 1.610 54.543 53.050 -0.194 0.000 0.860 133 N CB -0.755 37.614 38.487 -0.196 0.000 1.063 133 N HN 0.289 nan 8.380 nan 0.000 0.424 134 V N -0.711 119.065 119.914 -0.229 0.000 2.532 134 V HA 0.711 4.831 4.120 -0.001 0.000 0.295 134 V C -0.647 175.382 176.094 -0.108 0.000 1.041 134 V CA -0.747 61.488 62.300 -0.108 0.000 0.926 134 V CB 1.087 32.906 31.823 -0.008 0.000 0.992 134 V HN 0.725 nan 8.190 nan 0.000 0.457 135 N N 0.885 119.570 118.700 -0.024 0.000 3.545 135 N HA 0.189 4.928 4.740 -0.001 0.000 0.227 135 N C -1.279 174.258 175.510 0.044 0.000 1.380 135 N CA -0.469 52.588 53.050 0.012 0.000 0.892 135 N CB 1.448 39.926 38.487 -0.016 0.000 1.441 135 N HN 0.944 nan 8.380 nan 0.000 0.497 136 E N 0.662 120.896 120.200 0.058 0.000 1.996 136 E HA 0.415 4.765 4.350 -0.001 0.000 0.280 136 E C -1.112 175.513 176.600 0.042 0.000 1.092 136 E CA -0.323 56.068 56.400 -0.014 0.000 0.862 136 E CB 0.051 29.753 29.700 0.002 0.000 1.066 136 E HN 0.611 nan 8.360 nan 0.000 0.396 137 F N 3.461 123.194 119.950 -0.361 0.000 1.649 137 F HA -0.072 4.454 4.527 -0.001 0.000 0.334 137 F C 0.119 175.683 175.800 -0.393 0.000 1.185 137 F CA -0.084 57.720 58.000 -0.326 0.000 1.231 137 F CB -0.086 38.921 39.000 0.011 0.000 1.896 137 F HN 0.422 nan 8.300 nan 0.000 0.163 138 M N 1.307 120.916 119.600 0.016 0.000 2.495 138 M HA 0.295 4.774 4.480 -0.001 0.000 0.237 138 M C -0.361 176.109 176.300 0.283 0.000 1.131 138 M CA 0.266 55.650 55.300 0.139 0.000 1.032 138 M CB -1.497 31.191 32.600 0.147 0.000 1.513 138 M HN 0.318 nan 8.290 nan 0.000 0.488 139 F N 0.738 120.724 119.950 0.061 0.000 2.807 139 F HA -0.242 4.285 4.527 -0.001 0.000 0.297 139 F C 0.865 176.727 175.800 0.103 0.000 1.024 139 F CA 0.908 58.955 58.000 0.079 0.000 1.008 139 F CB -2.644 36.397 39.000 0.069 0.000 1.142 139 F HN 0.287 nan 8.300 nan 0.000 0.829 140 T N -3.974 110.699 114.554 0.197 0.000 3.275 140 T HA 0.182 4.531 4.350 -0.001 0.000 0.298 140 T C 0.865 175.669 174.700 0.174 0.000 0.988 140 T CA 0.255 62.457 62.100 0.170 0.000 0.936 140 T CB 0.105 69.028 68.868 0.091 0.000 1.159 140 T HN 0.484 nan 8.240 nan 0.000 0.519 141 N N 0.794 119.606 118.700 0.187 0.000 2.197 141 N HA 0.212 4.951 4.740 -0.001 0.000 0.228 141 N C -0.296 175.356 175.510 0.238 0.000 1.212 141 N CA -0.492 52.676 53.050 0.197 0.000 0.883 141 N CB 0.646 39.214 38.487 0.136 0.000 1.107 141 N HN 0.341 nan 8.380 nan 0.000 0.519 142 K N 0.426 120.997 120.400 0.285 0.000 2.482 142 K HA 0.511 4.830 4.320 -0.001 0.000 0.257 142 K C -1.689 175.153 176.600 0.403 0.000 0.969 142 K CA -0.791 55.657 56.287 0.268 0.000 0.842 142 K CB 2.300 34.915 32.500 0.191 0.000 1.359 142 K HN 0.114 nan 8.250 nan 0.000 0.441 143 F N -1.183 118.866 119.950 0.164 0.000 2.656 143 F HA 0.357 4.883 4.527 -0.001 0.000 0.326 143 F C -1.664 174.198 175.800 0.103 0.000 1.109 143 F CA -1.049 56.994 58.000 0.072 0.000 1.086 143 F CB 0.788 39.794 39.000 0.011 0.000 1.324 143 F HN 0.195 nan 8.300 nan 0.000 0.511 144 K N 3.286 123.713 120.400 0.046 0.000 2.205 144 K HA 0.847 5.167 4.320 -0.001 0.000 0.279 144 K C -0.522 176.243 176.600 0.274 0.000 1.027 144 K CA -0.491 55.826 56.287 0.051 0.000 0.932 144 K CB 1.700 34.221 32.500 0.035 0.000 1.032 144 K HN 0.878 nan 8.250 nan 0.000 0.466 145 A N 2.787 125.827 122.820 0.366 0.000 2.539 145 A HA 0.544 4.864 4.320 -0.001 0.000 0.296 145 A C -1.272 176.419 177.584 0.179 0.000 1.073 145 A CA -0.834 51.455 52.037 0.420 0.000 0.700 145 A CB 1.461 20.793 19.000 0.553 0.000 1.296 145 A HN 0.787 nan 8.150 nan 0.000 0.405 146 R N 0.890 121.195 120.500 -0.326 0.000 2.295 146 R HA 0.634 4.974 4.340 -0.001 0.000 0.324 146 R C -0.743 175.296 176.300 -0.435 0.000 0.968 146 R CA -0.296 55.334 56.100 -0.782 0.000 0.837 146 R CB 1.003 30.192 30.300 -1.851 0.000 1.133 146 R HN 1.001 nan 8.270 nan 0.000 0.450 147 V N 1.263 121.033 119.914 -0.240 0.000 3.155 147 V HA 0.561 4.680 4.120 -0.001 0.000 0.313 147 V C -0.051 176.112 176.094 0.115 0.000 1.162 147 V CA -1.395 60.847 62.300 -0.096 0.000 1.048 147 V CB 1.876 33.709 31.823 0.016 0.000 1.092 147 V HN 0.859 nan 8.190 nan 0.000 0.447 148 M N 1.167 120.913 119.600 0.244 0.000 2.217 148 M HA 0.444 4.923 4.480 -0.001 0.000 0.354 148 M C 0.070 176.530 176.300 0.268 0.000 1.225 148 M CA 0.121 55.677 55.300 0.427 0.000 1.137 148 M CB 1.466 34.283 32.600 0.362 0.000 1.576 148 M HN 0.749 nan 8.290 nan 0.000 0.461 149 V N 2.954 122.971 119.914 0.173 0.000 3.451 149 V HA 0.332 4.452 4.120 -0.001 0.000 0.288 149 V C -0.413 175.715 176.094 0.057 0.000 1.502 149 V CA 0.618 63.011 62.300 0.155 0.000 1.026 149 V CB 1.018 32.933 31.823 0.153 0.000 0.840 149 V HN 0.875 nan 8.190 nan 0.000 0.437 150 S N 0.663 116.362 115.700 -0.001 0.000 2.548 150 S HA 0.616 5.086 4.470 -0.001 0.000 0.278 150 S C -1.154 173.405 174.600 -0.068 0.000 1.150 150 S CA -0.678 57.503 58.200 -0.033 0.000 0.907 150 S CB 1.626 64.800 63.200 -0.044 0.000 1.108 150 S HN 0.431 nan 8.310 nan 0.000 0.459 151 R N 2.566 123.044 120.500 -0.037 0.000 2.539 151 R HA 0.563 4.902 4.340 -0.001 0.000 0.295 151 R C -1.461 174.823 176.300 -0.026 0.000 1.138 151 R CA -0.148 55.928 56.100 -0.041 0.000 0.936 151 R CB 1.090 31.384 30.300 -0.010 0.000 1.182 151 R HN 0.800 nan 8.270 nan 0.000 0.459 152 S N 3.236 118.915 115.700 -0.035 0.000 2.546 152 S HA 0.380 4.850 4.470 -0.001 0.000 0.274 152 S C -0.491 174.095 174.600 -0.023 0.000 1.121 152 S CA -0.934 57.252 58.200 -0.024 0.000 0.887 152 S CB 1.688 64.874 63.200 -0.024 0.000 1.094 152 S HN 0.555 nan 8.310 nan 0.000 0.474 153 L N 3.289 124.503 121.223 -0.015 0.000 2.536 153 L HA 0.211 4.550 4.340 -0.001 0.000 0.282 153 L C 0.419 177.281 176.870 -0.013 0.000 1.174 153 L CA 0.027 54.860 54.840 -0.012 0.000 0.989 153 L CB -0.278 41.776 42.059 -0.007 0.000 1.311 153 L HN 0.881 nan 8.230 nan 0.000 0.455 154 T N 3.316 117.860 114.554 -0.016 0.000 2.854 154 T HA -0.124 4.225 4.350 -0.001 0.000 0.336 154 T C 1.503 176.197 174.700 -0.010 0.000 1.095 154 T CA -0.043 62.049 62.100 -0.015 0.000 1.118 154 T CB 0.510 69.369 68.868 -0.016 0.000 1.025 154 T HN 0.580 nan 8.240 nan 0.000 0.549 155 K N 1.157 121.552 120.400 -0.009 0.000 2.184 155 K HA -0.243 4.077 4.320 -0.001 0.000 0.210 155 K C 1.333 177.930 176.600 -0.005 0.000 1.048 155 K CA 2.057 58.340 56.287 -0.006 0.000 0.931 155 K CB -0.099 32.397 32.500 -0.006 0.000 0.718 155 K HN 0.549 nan 8.250 nan 0.000 0.465 156 D N -0.698 119.700 120.400 -0.004 0.000 2.394 156 D HA 0.046 4.685 4.640 -0.001 0.000 0.237 156 D C 1.231 177.530 176.300 -0.003 0.000 1.028 156 D CA 0.953 54.951 54.000 -0.003 0.000 0.937 156 D CB 0.272 41.071 40.800 -0.002 0.000 1.072 156 D HN 0.063 nan 8.370 nan 0.000 0.457 157 K N -1.375 119.024 120.400 -0.003 0.000 2.191 157 K HA 0.095 4.415 4.320 -0.001 0.000 0.154 157 K C 0.037 176.635 176.600 -0.003 0.000 1.928 157 K CA -0.039 56.247 56.287 -0.003 0.000 1.002 157 K CB 1.080 33.579 32.500 -0.001 0.000 1.876 157 K HN -0.014 nan 8.250 nan 0.000 0.477 158 Q N 1.060 120.857 119.800 -0.004 0.000 2.237 158 Q HA 0.424 4.764 4.340 -0.001 0.000 0.219 158 Q C -0.072 175.923 176.000 -0.009 0.000 0.999 158 Q CA -0.530 55.270 55.803 -0.004 0.000 0.959 158 Q CB 1.777 30.513 28.738 -0.003 0.000 1.173 158 Q HN 0.071 nan 8.270 nan 0.000 0.527 159 V N -2.688 117.219 119.914 -0.012 0.000 3.113 159 V HA 0.624 4.743 4.120 -0.001 0.000 0.316 159 V C -1.051 175.024 176.094 -0.032 0.000 1.125 159 V CA -0.784 61.504 62.300 -0.020 0.000 1.026 159 V CB 2.007 33.818 31.823 -0.019 0.000 1.080 159 V HN 0.842 nan 8.190 nan 0.000 0.444 160 E N 1.205 121.378 120.200 -0.046 0.000 2.234 160 E HA 0.652 5.002 4.350 -0.001 0.000 0.266 160 E C -1.801 174.730 176.600 -0.115 0.000 0.877 160 E CA -0.778 55.580 56.400 -0.069 0.000 0.758 160 E CB 2.003 31.669 29.700 -0.058 0.000 1.170 160 E HN 0.813 nan 8.360 nan 0.000 0.415 161 L N 4.508 125.624 121.223 -0.178 0.000 2.372 161 L HA 0.488 4.828 4.340 -0.001 0.000 0.273 161 L C -0.520 176.062 176.870 -0.480 0.000 0.989 161 L CA -0.655 53.978 54.840 -0.346 0.000 0.841 161 L CB 1.580 43.420 42.059 -0.365 0.000 1.225 161 L HN 0.346 nan 8.230 nan 0.000 0.414 162 K N 3.173 123.306 120.400 -0.444 0.000 2.221 162 K HA 0.610 4.929 4.320 -0.001 0.000 0.258 162 K C -1.434 174.932 176.600 -0.390 0.000 0.944 162 K CA -0.633 55.454 56.287 -0.333 0.000 0.823 162 K CB 2.366 34.783 32.500 -0.137 0.000 1.113 162 K HN 0.302 nan 8.250 nan 0.000 0.431 163 Y N 0.395 120.666 120.300 -0.048 0.000 2.587 163 Y HA 0.420 4.969 4.550 -0.001 0.000 0.337 163 Y C 0.045 175.884 175.900 -0.101 0.000 1.065 163 Y CA -0.825 57.219 58.100 -0.093 0.000 1.126 163 Y CB 2.400 40.766 38.460 -0.156 0.000 1.279 163 Y HN 0.576 nan 8.280 nan 0.000 0.489 164 E N 0.348 120.570 120.200 0.037 0.000 2.407 164 E HA 0.283 4.632 4.350 -0.001 0.000 0.279 164 E C -2.249 174.272 176.600 -0.131 0.000 1.012 164 E CA -0.776 55.615 56.400 -0.014 0.000 0.800 164 E CB 1.387 31.124 29.700 0.062 0.000 1.276 164 E HN 0.562 nan 8.360 nan 0.000 0.452 165 W N 2.769 124.055 121.300 -0.023 0.000 2.351 165 W HA 0.476 5.136 4.660 -0.001 0.000 0.311 165 W C -0.430 175.988 176.519 -0.167 0.000 1.168 165 W CA -0.325 56.971 57.345 -0.081 0.000 1.200 165 W CB 1.463 30.889 29.460 -0.056 0.000 1.221 165 W HN 0.289 nan 8.180 nan 0.000 0.519 166 V N -0.043 119.815 119.914 -0.093 0.000 2.876 166 V HA 0.520 4.640 4.120 -0.001 0.000 0.312 166 V C -0.849 174.858 176.094 -0.644 0.000 1.085 166 V CA -1.568 60.488 62.300 -0.406 0.000 0.945 166 V CB 1.763 33.178 31.823 -0.680 0.000 1.017 166 V HN 0.570 nan 8.190 nan 0.000 0.428 167 E N 2.103 121.980 120.200 -0.538 0.000 2.134 167 E HA 0.598 4.948 4.350 -0.001 0.000 0.278 167 E C -1.699 174.568 176.600 -0.555 0.000 0.959 167 E CA -0.583 55.545 56.400 -0.454 0.000 0.783 167 E CB 1.055 30.641 29.700 -0.189 0.000 1.095 167 E HN 0.616 nan 8.360 nan 0.000 0.399 168 F N 2.036 121.747 119.950 -0.399 0.000 2.450 168 F HA 0.384 4.910 4.527 -0.001 0.000 0.332 168 F C 0.592 176.277 175.800 -0.191 0.000 1.093 168 F CA -0.746 57.076 58.000 -0.297 0.000 1.003 168 F CB 1.961 40.716 39.000 -0.409 0.000 1.151 168 F HN 0.274 nan 8.300 nan 0.000 0.474 169 T N 0.920 115.572 114.554 0.164 0.000 2.863 169 T HA 0.778 5.127 4.350 -0.001 0.000 0.285 169 T C -0.692 174.130 174.700 0.204 0.000 1.009 169 T CA -0.906 61.293 62.100 0.166 0.000 0.989 169 T CB 1.188 70.123 68.868 0.111 0.000 1.004 169 T HN 0.491 nan 8.240 nan 0.000 0.455 170 L N 2.723 124.081 121.223 0.225 0.000 2.399 170 L HA 0.557 4.897 4.340 -0.001 0.000 0.265 170 L C -1.850 175.141 176.870 0.202 0.000 1.089 170 L CA -2.495 52.483 54.840 0.230 0.000 0.802 170 L CB 0.825 43.052 42.059 0.281 0.000 1.180 170 L HN 0.534 nan 8.230 nan 0.000 0.454 171 P HA 0.123 nan 4.420 nan 0.000 0.282 171 P C -0.689 176.748 177.300 0.229 0.000 1.262 171 P CA -0.336 62.877 63.100 0.188 0.000 0.773 171 P CB 0.833 32.639 31.700 0.177 0.000 0.879 172 E N 1.112 121.394 120.200 0.136 0.000 2.442 172 E HA 0.374 4.724 4.350 -0.001 0.000 0.262 172 E C 0.544 177.148 176.600 0.008 0.000 1.004 172 E CA 0.685 57.123 56.400 0.065 0.000 0.928 172 E CB 0.263 29.989 29.700 0.044 0.000 0.937 172 E HN 0.755 nan 8.360 nan 0.000 0.446 173 G N 2.120 110.780 108.800 -0.233 0.000 2.316 173 G HA2 0.034 3.994 3.960 -0.001 0.000 0.296 173 G HA3 0.034 3.994 3.960 -0.001 0.000 0.296 173 G C -1.628 172.770 174.900 -0.836 0.000 1.399 173 G CA -0.968 43.888 45.100 -0.406 0.000 0.833 173 G HN 0.445 nan 8.290 nan 0.000 0.565 174 N N -0.082 118.271 118.700 -0.578 0.000 2.437 174 N HA 0.660 5.400 4.740 -0.001 0.000 0.259 174 N C -0.958 174.327 175.510 -0.374 0.000 0.983 174 N CA -0.336 52.437 53.050 -0.461 0.000 0.937 174 N CB 0.437 38.798 38.487 -0.210 0.000 1.122 174 N HN 0.384 nan 8.380 nan 0.000 0.499 175 Y N 0.098 120.376 120.300 -0.037 0.000 2.772 175 Y HA 0.534 5.084 4.550 -0.001 0.000 0.324 175 Y C 1.037 176.905 175.900 -0.052 0.000 1.169 175 Y CA -1.244 56.830 58.100 -0.043 0.000 1.198 175 Y CB 0.255 38.689 38.460 -0.043 0.000 1.402 175 Y HN 0.283 nan 8.280 nan 0.000 0.577 176 S N -0.268 115.529 115.700 0.162 0.000 2.730 176 S HA 0.121 4.591 4.470 -0.001 0.000 0.284 176 S C 1.203 175.814 174.600 0.019 0.000 1.153 176 S CA -0.608 57.616 58.200 0.041 0.000 0.995 176 S CB 1.092 64.283 63.200 -0.016 0.000 1.058 176 S HN 0.744 nan 8.310 nan 0.000 0.552 177 E N 0.459 120.650 120.200 -0.015 0.000 2.107 177 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 177 E C 1.646 178.195 176.600 -0.085 0.000 0.982 177 E CA 1.743 58.114 56.400 -0.048 0.000 0.809 177 E CB -0.223 29.448 29.700 -0.050 0.000 0.756 177 E HN 0.780 nan 8.360 nan 0.000 0.459 178 T N -0.905 113.595 114.554 -0.090 0.000 2.815 178 T HA -0.063 4.286 4.350 -0.001 0.000 0.244 178 T C 2.096 176.689 174.700 -0.178 0.000 1.040 178 T CA 0.733 62.756 62.100 -0.128 0.000 1.176 178 T CB -0.581 68.216 68.868 -0.118 0.000 0.880 178 T HN 0.084 nan 8.240 nan 0.000 0.414 179 M N 1.538 121.022 119.600 -0.194 0.000 2.327 179 M HA -0.193 4.287 4.480 -0.001 0.000 0.258 179 M C 2.005 178.107 176.300 -0.330 0.000 1.079 179 M CA 1.719 56.835 55.300 -0.307 0.000 1.056 179 M CB -0.774 31.676 32.600 -0.248 0.000 1.387 179 M HN 0.455 nan 8.290 nan 0.000 0.423 180 T N 0.841 115.282 114.554 -0.190 0.000 2.668 180 T HA -0.113 4.236 4.350 -0.001 0.000 0.262 180 T C 1.637 176.227 174.700 -0.185 0.000 1.045 180 T CA 1.552 63.575 62.100 -0.129 0.000 1.152 180 T CB -0.275 68.592 68.868 -0.001 0.000 0.864 180 T HN 0.381 nan 8.240 nan 0.000 0.419 181 I N 1.612 122.061 120.570 -0.202 0.000 2.074 181 I HA -0.332 3.838 4.170 -0.001 0.000 0.238 181 I C 2.354 178.370 176.117 -0.168 0.000 1.037 181 I CA 1.796 62.963 61.300 -0.221 0.000 1.301 181 I CB -0.623 37.279 38.000 -0.163 0.000 1.016 181 I HN 0.209 nan 8.210 nan 0.000 0.400 182 D N 0.686 120.949 120.400 -0.228 0.000 2.154 182 D HA -0.220 4.420 4.640 -0.001 0.000 0.190 182 D C 2.135 178.363 176.300 -0.121 0.000 1.003 182 D CA 1.178 54.998 54.000 -0.299 0.000 0.849 182 D CB -0.456 39.846 40.800 -0.829 0.000 0.942 182 D HN 0.146 nan 8.370 nan 0.000 0.446 183 L N -0.027 121.103 121.223 -0.155 0.000 2.081 183 L HA -0.168 4.171 4.340 -0.001 0.000 0.212 183 L C 2.264 179.192 176.870 0.097 0.000 1.080 183 L CA 1.497 56.341 54.840 0.006 0.000 0.754 183 L CB -0.775 41.205 42.059 -0.133 0.000 0.893 183 L HN 0.233 nan 8.230 nan 0.000 0.433 184 M N -1.230 118.397 119.600 0.044 0.000 2.098 184 M HA -0.177 4.303 4.480 -0.001 0.000 0.262 184 M C 1.968 178.398 176.300 0.218 0.000 1.072 184 M CA 1.331 56.707 55.300 0.126 0.000 1.133 184 M CB -0.499 31.953 32.600 -0.247 0.000 1.344 184 M HN 0.216 nan 8.290 nan 0.000 0.414 185 N N 0.923 119.750 118.700 0.211 0.000 2.069 185 N HA -0.193 4.547 4.740 -0.001 0.000 0.191 185 N C 1.435 177.047 175.510 0.170 0.000 1.031 185 N CA 1.750 54.921 53.050 0.202 0.000 0.852 185 N CB -0.739 37.854 38.487 0.177 0.000 1.018 185 N HN 0.375 nan 8.380 nan 0.000 0.423 186 N N 1.082 119.916 118.700 0.224 0.000 2.043 186 N HA -0.132 4.608 4.740 -0.001 0.000 0.193 186 N C 1.515 177.124 175.510 0.164 0.000 1.037 186 N CA 1.967 55.156 53.050 0.231 0.000 0.851 186 N CB -0.427 38.240 38.487 0.299 0.000 1.027 186 N HN 0.197 nan 8.380 nan 0.000 0.422 187 A N 0.109 123.017 122.820 0.146 0.000 2.076 187 A HA -0.091 4.228 4.320 -0.001 0.000 0.220 187 A C 2.068 179.613 177.584 -0.065 0.000 1.160 187 A CA 1.034 53.140 52.037 0.116 0.000 0.653 187 A CB -0.619 18.480 19.000 0.165 0.000 0.801 187 A HN 0.413 nan 8.150 nan 0.000 0.455 188 I N -0.733 119.728 120.570 -0.182 0.000 2.277 188 I HA -0.122 4.048 4.170 -0.001 0.000 0.243 188 I C 2.527 178.701 176.117 0.094 0.000 1.094 188 I CA 0.931 62.034 61.300 -0.327 0.000 1.393 188 I CB -1.291 36.575 38.000 -0.223 0.000 1.078 188 I HN 0.148 nan 8.210 nan 0.000 0.417 189 V N 0.825 120.831 119.914 0.154 0.000 2.233 189 V HA -0.293 3.827 4.120 -0.001 0.000 0.247 189 V C 2.454 178.747 176.094 0.331 0.000 1.050 189 V CA 1.881 64.347 62.300 0.277 0.000 1.010 189 V CB -0.700 31.285 31.823 0.270 0.000 0.637 189 V HN 0.381 nan 8.190 nan 0.000 0.444 190 E N -0.993 119.357 120.200 0.250 0.000 2.253 190 E HA -0.313 4.037 4.350 -0.001 0.000 0.202 190 E C 2.178 178.930 176.600 0.254 0.000 1.014 190 E CA 1.617 58.147 56.400 0.217 0.000 0.823 190 E CB -0.171 29.642 29.700 0.188 0.000 0.736 190 E HN 0.741 nan 8.360 nan 0.000 0.478 191 H N -0.840 118.383 119.070 0.256 0.000 2.384 191 H HA -0.134 4.421 4.556 -0.001 0.000 0.300 191 H C 1.927 177.392 175.328 0.228 0.000 1.057 191 H CA 1.453 57.662 56.048 0.269 0.000 1.370 191 H CB -0.376 29.668 29.762 0.469 0.000 1.417 191 H HN 0.287 nan 8.280 nan 0.000 0.527 192 Y N 1.921 122.402 120.300 0.302 0.000 2.298 192 Y HA -0.224 4.326 4.550 -0.001 0.000 0.287 192 Y C 2.235 178.168 175.900 0.054 0.000 1.164 192 Y CA 1.579 59.792 58.100 0.188 0.000 1.229 192 Y CB -0.495 38.086 38.460 0.200 0.000 0.977 192 Y HN 0.158 nan 8.280 nan 0.000 0.538 193 L N 0.208 121.398 121.223 -0.054 0.000 2.034 193 L HA -0.157 4.182 4.340 -0.001 0.000 0.203 193 L C 2.517 179.271 176.870 -0.195 0.000 1.074 193 L CA 1.733 56.465 54.840 -0.180 0.000 0.748 193 L CB -0.831 41.223 42.059 -0.009 0.000 0.905 193 L HN 0.039 nan 8.230 nan 0.000 0.439 194 K N -0.249 120.068 120.400 -0.138 0.000 2.360 194 K HA -0.132 4.188 4.320 -0.001 0.000 0.201 194 K C 1.244 177.717 176.600 -0.212 0.000 1.046 194 K CA 1.027 57.226 56.287 -0.146 0.000 0.940 194 K CB 0.316 32.753 32.500 -0.105 0.000 0.748 194 K HN 0.172 nan 8.250 nan 0.000 0.465 195 V N -2.160 117.568 119.914 -0.309 0.000 4.454 195 V HA 0.080 4.199 4.120 -0.001 0.000 0.159 195 V C 1.851 177.813 176.094 -0.221 0.000 1.262 195 V CA 0.552 62.690 62.300 -0.271 0.000 1.223 195 V CB -0.663 30.948 31.823 -0.353 0.000 1.452 195 V HN 0.371 nan 8.190 nan 0.000 0.595 196 G N 2.526 111.221 108.800 -0.176 0.000 2.907 196 G HA2 -0.433 3.526 3.960 -0.001 0.000 0.235 196 G HA3 -0.433 3.526 3.960 -0.001 0.000 0.235 196 G C 1.463 176.259 174.900 -0.175 0.000 1.198 196 G CA 2.764 47.843 45.100 -0.035 0.000 0.766 196 G HN 0.698 nan 8.290 nan 0.000 0.763 197 R N 0.107 120.229 120.500 -0.629 0.000 2.162 197 R HA -0.233 4.106 4.340 -0.001 0.000 0.245 197 R C 2.049 178.252 176.300 -0.162 0.000 1.129 197 R CA 2.174 58.041 56.100 -0.388 0.000 0.940 197 R CB -1.123 28.808 30.300 -0.615 0.000 0.875 197 R HN 0.554 nan 8.270 nan 0.000 0.437 198 Q N 1.242 120.926 119.800 -0.193 0.000 2.271 198 Q HA 0.097 4.436 4.340 -0.001 0.000 0.206 198 Q C -0.393 175.563 176.000 -0.073 0.000 0.860 198 Q CA 0.170 55.908 55.803 -0.109 0.000 0.991 198 Q CB -0.161 28.508 28.738 -0.115 0.000 1.232 198 Q HN 0.422 nan 8.270 nan 0.000 0.410 199 N N -0.631 118.039 118.700 -0.051 0.000 2.628 199 N HA 0.045 4.784 4.740 -0.001 0.000 0.235 199 N C -0.088 175.419 175.510 -0.004 0.000 1.390 199 N CA 0.570 53.604 53.050 -0.027 0.000 1.380 199 N CB 1.141 39.610 38.487 -0.030 0.000 1.444 199 N HN 0.439 nan 8.380 nan 0.000 0.573 200 G N 0.130 108.935 108.800 0.007 0.000 2.166 200 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.260 200 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.260 200 G C 0.040 174.978 174.900 0.063 0.000 0.986 200 G CA 0.627 45.743 45.100 0.027 0.000 0.683 200 G HN 0.215 nan 8.290 nan 0.000 0.527 201 V N 1.568 121.544 119.914 0.103 0.000 2.383 201 V HA 0.553 4.672 4.120 -0.001 0.000 0.275 201 V C 0.791 177.074 176.094 0.315 0.000 1.036 201 V CA -0.511 61.907 62.300 0.197 0.000 0.889 201 V CB 1.428 33.412 31.823 0.269 0.000 0.985 201 V HN 0.315 nan 8.190 nan 0.000 0.459 202 L N 4.805 126.154 121.223 0.210 0.000 2.307 202 L HA 0.403 4.742 4.340 -0.001 0.000 0.282 202 L C 1.723 178.637 176.870 0.073 0.000 1.051 202 L CA -0.477 54.475 54.840 0.188 0.000 0.804 202 L CB 1.295 43.423 42.059 0.115 0.000 1.197 202 L HN 0.773 nan 8.230 nan 0.000 0.431 203 E N 0.542 120.741 120.200 -0.000 0.000 2.208 203 E HA -0.261 4.089 4.350 -0.001 0.000 0.202 203 E C 1.380 177.871 176.600 -0.181 0.000 1.014 203 E CA 1.720 57.958 56.400 -0.271 0.000 0.819 203 E CB -0.289 29.398 29.700 -0.022 0.000 0.735 203 E HN 0.639 nan 8.360 nan 0.000 0.469 204 S N 1.636 117.322 115.700 -0.025 0.000 2.559 204 S HA -0.115 4.355 4.470 -0.001 0.000 0.250 204 S C 0.218 174.828 174.600 0.016 0.000 0.977 204 S CA 1.431 59.641 58.200 0.017 0.000 0.958 204 S CB -0.280 62.953 63.200 0.054 0.000 0.751 204 S HN 0.564 nan 8.310 nan 0.000 0.534 205 D N -1.015 119.377 120.400 -0.013 0.000 2.740 205 D HA 0.150 4.789 4.640 -0.001 0.000 0.305 205 D C -0.214 176.076 176.300 -0.016 0.000 1.583 205 D CA -0.437 53.577 54.000 0.022 0.000 0.790 205 D CB -0.825 40.003 40.800 0.047 0.000 1.187 205 D HN 0.231 nan 8.370 nan 0.000 0.447 206 I N 1.351 121.842 120.570 -0.133 0.000 2.587 206 I HA 0.207 4.376 4.170 -0.001 0.000 0.284 206 I C 1.904 177.915 176.117 -0.176 0.000 1.134 206 I CA 0.181 61.375 61.300 -0.177 0.000 1.410 206 I CB 1.296 39.094 38.000 -0.337 0.000 1.392 206 I HN 0.238 nan 8.210 nan 0.000 0.545 207 G N 6.620 115.332 108.800 -0.146 0.000 2.422 207 G HA2 -0.065 3.895 3.960 -0.001 0.000 0.218 207 G HA3 -0.065 3.895 3.960 -0.001 0.000 0.218 207 G C 0.605 175.320 174.900 -0.309 0.000 1.146 207 G CA 0.854 45.817 45.100 -0.229 0.000 0.769 207 G HN 0.555 nan 8.290 nan 0.000 0.547 208 V N -2.843 116.883 119.914 -0.313 0.000 2.656 208 V HA 0.835 4.955 4.120 -0.001 0.000 0.307 208 V C -0.843 174.960 176.094 -0.485 0.000 1.051 208 V CA -1.386 60.667 62.300 -0.412 0.000 0.893 208 V CB 2.000 33.579 31.823 -0.406 0.000 0.999 208 V HN 0.148 nan 8.190 nan 0.000 0.426 209 K N 3.696 123.747 120.400 -0.582 0.000 2.525 209 K HA 0.627 4.947 4.320 -0.001 0.000 0.254 209 K C -2.117 174.185 176.600 -0.497 0.000 0.934 209 K CA -0.656 55.345 56.287 -0.477 0.000 0.802 209 K CB 2.285 34.569 32.500 -0.359 0.000 1.295 209 K HN 0.705 nan 8.250 nan 0.000 0.433 210 F N 3.524 123.428 119.950 -0.076 0.000 2.361 210 F HA 0.259 4.785 4.527 -0.001 0.000 0.364 210 F C 0.663 176.445 175.800 -0.029 0.000 1.117 210 F CA -0.434 57.534 58.000 -0.054 0.000 1.071 210 F CB 1.178 40.124 39.000 -0.091 0.000 1.188 210 F HN 0.580 nan 8.300 nan 0.000 0.464 211 D N 1.113 121.616 120.400 0.171 0.000 2.568 211 D HA 0.360 5.000 4.640 -0.001 0.000 0.219 211 D C 0.406 176.766 176.300 0.100 0.000 1.239 211 D CA 0.126 54.209 54.000 0.139 0.000 1.096 211 D CB 1.944 42.884 40.800 0.234 0.000 1.198 211 D HN 0.505 nan 8.370 nan 0.000 0.620 212 T N -2.015 112.574 114.554 0.058 0.000 4.440 212 T HA 0.158 4.508 4.350 -0.001 0.000 0.320 212 T C -0.001 174.662 174.700 -0.061 0.000 0.880 212 T CA -0.560 61.538 62.100 -0.004 0.000 0.813 212 T CB -0.248 68.593 68.868 -0.045 0.000 1.037 212 T HN 0.544 nan 8.240 nan 0.000 0.588 213 R N 0.735 121.140 120.500 -0.158 0.000 2.873 213 R HA 0.568 4.908 4.340 -0.001 0.000 0.264 213 R C -0.679 175.426 176.300 -0.325 0.000 1.026 213 R CA -0.884 55.087 56.100 -0.215 0.000 1.002 213 R CB 0.867 30.949 30.300 -0.363 0.000 1.174 213 R HN 0.186 nan 8.270 nan 0.000 0.488 214 N N 1.255 119.813 118.700 -0.238 0.000 2.508 214 N HA 0.068 4.808 4.740 -0.001 0.000 0.253 214 N C -0.739 174.709 175.510 -0.104 0.000 1.145 214 N CA -0.458 52.503 53.050 -0.147 0.000 0.973 214 N CB 0.122 38.433 38.487 -0.294 0.000 1.305 214 N HN 0.459 nan 8.380 nan 0.000 0.506 215 F N 3.136 123.103 119.950 0.028 0.000 2.646 215 F HA -0.017 4.510 4.527 -0.001 0.000 0.320 215 F C 1.143 176.975 175.800 0.054 0.000 1.307 215 F CA 0.267 58.241 58.000 -0.043 0.000 1.431 215 F CB -0.236 38.620 39.000 -0.239 0.000 1.297 215 F HN 0.591 nan 8.300 nan 0.000 0.556 216 R N -1.532 119.071 120.500 0.172 0.000 2.418 216 R HA 0.129 4.468 4.340 -0.001 0.000 0.218 216 R C -0.605 175.728 176.300 0.055 0.000 1.151 216 R CA -0.100 56.074 56.100 0.122 0.000 1.221 216 R CB -0.932 29.295 30.300 -0.121 0.000 1.366 216 R HN 0.394 nan 8.270 nan 0.000 0.767 217 L N -0.261 121.019 121.223 0.095 0.000 2.130 217 L HA 0.263 4.603 4.340 -0.001 0.000 0.200 217 L C 2.357 179.293 176.870 0.109 0.000 1.075 217 L CA 1.540 56.415 54.840 0.059 0.000 0.768 217 L CB -0.223 41.848 42.059 0.021 0.000 0.933 217 L HN 0.575 nan 8.230 nan 0.000 0.451 218 G N -0.133 108.742 108.800 0.126 0.000 2.498 218 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.219 218 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.219 218 G C 0.663 175.630 174.900 0.112 0.000 1.119 218 G CA -0.287 44.868 45.100 0.093 0.000 0.766 218 G HN 0.154 nan 8.290 nan 0.000 0.552 219 F N 1.747 121.708 119.950 0.019 0.000 2.594 219 F HA 0.008 4.535 4.527 -0.001 0.000 0.384 219 F C 0.300 176.097 175.800 -0.006 0.000 1.060 219 F CA 0.035 58.045 58.000 0.016 0.000 1.278 219 F CB 0.598 39.600 39.000 0.004 0.000 0.977 219 F HN 0.016 nan 8.300 nan 0.000 0.576 220 D N 8.773 128.763 120.400 -0.683 0.000 2.381 220 D HA 0.204 4.843 4.640 -0.001 0.000 0.235 220 D C -1.642 174.284 176.300 -0.624 0.000 1.068 220 D CA -1.978 51.761 54.000 -0.436 0.000 0.832 220 D CB 1.976 42.583 40.800 -0.323 0.000 1.101 220 D HN 0.259 nan 8.370 nan 0.000 0.515 221 P HA -0.210 nan 4.420 nan 0.000 0.218 221 P C 1.261 178.558 177.300 -0.005 0.000 1.150 221 P CA 0.863 64.043 63.100 0.133 0.000 0.841 221 P CB 0.687 32.465 31.700 0.130 0.000 0.784 222 V N -0.208 119.643 119.914 -0.105 0.000 2.690 222 V HA -0.055 4.064 4.120 -0.001 0.000 0.240 222 V C 2.710 178.718 176.094 -0.144 0.000 1.078 222 V CA 2.271 64.517 62.300 -0.089 0.000 1.102 222 V CB -1.038 30.748 31.823 -0.061 0.000 0.800 222 V HN 0.225 nan 8.190 nan 0.000 0.479 223 T N -1.146 113.286 114.554 -0.204 0.000 2.977 223 T HA 0.043 4.392 4.350 -0.001 0.000 0.271 223 T C 1.594 176.140 174.700 -0.258 0.000 1.105 223 T CA 1.445 63.422 62.100 -0.205 0.000 1.116 223 T CB -0.590 68.147 68.868 -0.219 0.000 0.878 223 T HN 1.698 nan 8.240 nan 0.000 0.509 224 G N 0.880 109.442 108.800 -0.396 0.000 2.198 224 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.260 224 G C -0.166 174.533 174.900 -0.334 0.000 1.025 224 G CA 0.575 45.452 45.100 -0.372 0.000 0.769 224 G HN 0.697 nan 8.290 nan 0.000 0.507 225 L N -1.349 119.576 121.223 -0.498 0.000 2.409 225 L HA 0.506 4.846 4.340 -0.001 0.000 0.255 225 L C 0.545 177.287 176.870 -0.214 0.000 1.027 225 L CA -1.403 53.304 54.840 -0.222 0.000 0.834 225 L CB 2.263 44.231 42.059 -0.152 0.000 1.426 225 L HN -0.159 nan 8.230 nan 0.000 0.411 226 V N 3.044 122.948 119.914 -0.016 0.000 2.149 226 V HA -0.021 4.099 4.120 -0.001 0.000 0.245 226 V C 1.473 177.515 176.094 -0.085 0.000 1.349 226 V CA -0.171 62.136 62.300 0.012 0.000 1.289 226 V CB -0.017 31.830 31.823 0.040 0.000 1.401 226 V HN 0.702 nan 8.190 nan 0.000 0.501 227 M N 3.613 123.135 119.600 -0.130 0.000 2.345 227 M HA -0.209 4.271 4.480 -0.001 0.000 0.253 227 M C -0.003 176.212 176.300 -0.142 0.000 1.068 227 M CA 2.337 57.538 55.300 -0.164 0.000 1.069 227 M CB -2.487 30.010 32.600 -0.172 0.000 1.292 227 M HN 0.346 nan 8.290 nan 0.000 0.430 228 P HA -0.003 nan 4.420 nan 0.000 0.231 228 P C 0.792 178.046 177.300 -0.076 0.000 1.154 228 P CA 1.659 64.716 63.100 -0.072 0.000 0.762 228 P CB -0.342 31.337 31.700 -0.034 0.000 0.790 229 G N -1.946 106.792 108.800 -0.103 0.000 2.175 229 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.265 229 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.265 229 G C 0.117 174.949 174.900 -0.114 0.000 0.979 229 G CA 0.182 45.221 45.100 -0.103 0.000 0.663 229 G HN 0.388 nan 8.290 nan 0.000 0.533 230 V N -0.181 119.659 119.914 -0.123 0.000 2.711 230 V HA 0.399 4.519 4.120 -0.001 0.000 0.304 230 V C -0.265 175.788 176.094 -0.069 0.000 1.097 230 V CA -1.502 60.741 62.300 -0.095 0.000 0.906 230 V CB 1.545 33.366 31.823 -0.004 0.000 1.015 230 V HN 0.257 nan 8.190 nan 0.000 0.427 231 Y N 1.962 122.339 120.300 0.129 0.000 2.650 231 Y HA 0.108 4.657 4.550 -0.001 0.000 0.342 231 Y C 1.524 177.438 175.900 0.023 0.000 1.110 231 Y CA 0.387 58.549 58.100 0.103 0.000 1.438 231 Y CB 0.638 39.207 38.460 0.182 0.000 1.181 231 Y HN 0.699 nan 8.280 nan 0.000 0.526 232 T N 4.212 118.854 114.554 0.147 0.000 2.695 232 T HA -0.131 4.219 4.350 -0.001 0.000 0.264 232 T C 0.970 175.714 174.700 0.074 0.000 0.993 232 T CA -0.522 61.636 62.100 0.097 0.000 1.248 232 T CB -0.552 68.377 68.868 0.102 0.000 0.946 232 T HN 0.739 nan 8.240 nan 0.000 0.526 233 N N 4.936 123.668 118.700 0.054 0.000 2.747 233 N HA -0.049 4.691 4.740 -0.001 0.000 0.252 233 N C -0.167 175.349 175.510 0.009 0.000 1.352 233 N CA 0.105 53.163 53.050 0.013 0.000 0.960 233 N CB -0.144 38.355 38.487 0.020 0.000 1.303 233 N HN 0.620 nan 8.380 nan 0.000 0.518 234 E N 0.096 120.340 120.200 0.073 0.000 2.277 234 E HA 0.395 4.745 4.350 -0.001 0.000 0.274 234 E C -0.536 175.988 176.600 -0.127 0.000 1.022 234 E CA -0.665 55.724 56.400 -0.019 0.000 0.853 234 E CB 1.749 31.477 29.700 0.047 0.000 1.086 234 E HN 0.430 nan 8.360 nan 0.000 0.397 235 A N 2.931 125.549 122.820 -0.336 0.000 2.366 235 A HA 0.445 4.765 4.320 -0.001 0.000 0.272 235 A C -0.781 176.448 177.584 -0.592 0.000 1.135 235 A CA -0.102 51.751 52.037 -0.308 0.000 0.804 235 A CB -0.293 18.576 19.000 -0.217 0.000 1.064 235 A HN 0.481 nan 8.150 nan 0.000 0.499 236 F N 3.419 123.278 119.950 -0.153 0.000 2.794 236 F HA 0.319 4.845 4.527 -0.001 0.000 0.353 236 F C 0.083 175.781 175.800 -0.169 0.000 1.371 236 F CA 0.004 57.907 58.000 -0.161 0.000 1.173 236 F CB 0.286 39.132 39.000 -0.256 0.000 1.693 236 F HN 0.854 nan 8.300 nan 0.000 0.606 237 H N 0.410 119.454 119.070 -0.044 0.000 4.495 237 H HA -0.121 4.435 4.556 -0.001 0.000 0.273 237 H C -2.998 172.321 175.328 -0.016 0.000 0.601 237 H CA -0.682 55.359 56.048 -0.011 0.000 0.743 237 H CB 0.227 30.042 29.762 0.088 0.000 1.073 237 H HN 0.260 nan 8.280 nan 0.000 0.311 238 P HA 0.047 nan 4.420 nan 0.000 0.266 238 P C -0.268 177.153 177.300 0.201 0.000 1.193 238 P CA 0.926 63.950 63.100 -0.127 0.000 0.770 238 P CB 0.555 32.065 31.700 -0.316 0.000 0.836 239 D N 1.117 121.656 120.400 0.232 0.000 2.744 239 D HA 0.534 5.174 4.640 -0.001 0.000 0.304 239 D C -1.056 175.429 176.300 0.309 0.000 1.179 239 D CA -0.488 53.743 54.000 0.385 0.000 1.024 239 D CB 0.816 41.853 40.800 0.395 0.000 1.453 239 D HN 0.123 nan 8.370 nan 0.000 0.529 240 I N -0.044 120.710 120.570 0.306 0.000 2.534 240 I HA 0.360 4.529 4.170 -0.001 0.000 0.288 240 I C -0.855 175.304 176.117 0.069 0.000 1.077 240 I CA -0.803 60.586 61.300 0.148 0.000 1.051 240 I CB 1.931 40.016 38.000 0.140 0.000 1.234 240 I HN 0.272 nan 8.210 nan 0.000 0.425 241 I N 6.943 127.441 120.570 -0.120 0.000 2.355 241 I HA 0.431 4.600 4.170 -0.001 0.000 0.288 241 I C -0.256 175.696 176.117 -0.275 0.000 0.999 241 I CA -0.333 60.847 61.300 -0.200 0.000 1.163 241 I CB 1.272 39.053 38.000 -0.365 0.000 1.316 241 I HN 0.323 nan 8.210 nan 0.000 0.454 242 L N 6.118 127.255 121.223 -0.143 0.000 2.347 242 L HA 0.657 4.997 4.340 -0.001 0.000 0.268 242 L C -0.379 176.404 176.870 -0.145 0.000 1.019 242 L CA -0.942 53.815 54.840 -0.139 0.000 0.806 242 L CB 1.823 43.899 42.059 0.029 0.000 1.339 242 L HN 0.447 nan 8.230 nan 0.000 0.463 243 L N -0.456 120.582 121.223 -0.308 0.000 2.277 243 L HA 0.526 4.866 4.340 -0.001 0.000 0.254 243 L C -2.477 173.660 176.870 -1.222 0.000 1.044 243 L CA -1.835 52.719 54.840 -0.478 0.000 0.842 243 L CB 3.006 44.917 42.059 -0.246 0.000 1.422 243 L HN 0.241 nan 8.230 nan 0.000 0.422 244 P HA 0.120 nan 4.420 nan 0.000 0.269 244 P C 0.239 177.140 177.300 -0.664 0.000 1.209 244 P CA 0.625 62.987 63.100 -1.230 0.000 0.776 244 P CB 0.561 32.008 31.700 -0.421 0.000 0.876 245 G N 0.621 109.175 108.800 -0.411 0.000 2.168 245 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.257 245 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.257 245 G C 0.184 174.582 174.900 -0.836 0.000 0.997 245 G CA 0.201 45.024 45.100 -0.462 0.000 0.708 245 G HN 0.868 nan 8.290 nan 0.000 0.520 246 C N -3.099 115.828 119.300 -0.621 0.000 3.336 246 C HA 1.101 5.561 4.460 -0.001 0.000 0.339 246 C C 0.745 175.534 174.990 -0.336 0.000 1.468 246 C CA -0.143 58.514 59.018 -0.602 0.000 1.287 246 C CB 1.676 28.995 27.740 -0.702 0.000 1.682 246 C HN 2.085 nan 8.230 nan 0.000 0.451 247 G N -1.051 107.537 108.800 -0.353 0.000 2.341 247 G HA2 0.642 4.602 3.960 -0.001 0.000 0.299 247 G HA3 0.642 4.602 3.960 -0.001 0.000 0.299 247 G C -2.021 172.858 174.900 -0.035 0.000 1.274 247 G CA 0.306 45.336 45.100 -0.116 0.000 0.853 247 G HN 2.029 nan 8.290 nan 0.000 0.493 248 V N 0.182 120.195 119.914 0.165 0.000 3.007 248 V HA 0.772 4.892 4.120 -0.001 0.000 0.311 248 V C -1.819 174.413 176.094 0.229 0.000 1.120 248 V CA -0.452 61.999 62.300 0.251 0.000 0.980 248 V CB 2.142 34.061 31.823 0.160 0.000 1.033 248 V HN 1.124 nan 8.190 nan 0.000 0.429 249 D N 3.540 124.012 120.400 0.119 0.000 2.646 249 D HA 0.397 5.037 4.640 -0.001 0.000 0.245 249 D C -0.754 175.428 176.300 -0.197 0.000 1.099 249 D CA -0.352 53.636 54.000 -0.020 0.000 0.849 249 D CB 1.847 42.565 40.800 -0.138 0.000 1.448 249 D HN 0.344 nan 8.370 nan 0.000 0.489 250 F N 1.189 121.215 119.950 0.127 0.000 2.688 250 F HA 0.142 4.669 4.527 -0.001 0.000 0.310 250 F C 2.197 178.094 175.800 0.161 0.000 1.098 250 F CA -0.313 57.810 58.000 0.206 0.000 1.228 250 F CB 0.596 39.754 39.000 0.263 0.000 1.042 250 F HN 0.330 nan 8.300 nan 0.000 0.557 251 T N -0.897 113.762 114.554 0.174 0.000 2.814 251 T HA -0.264 4.085 4.350 -0.001 0.000 0.264 251 T C 0.703 175.207 174.700 -0.327 0.000 1.050 251 T CA 1.729 63.767 62.100 -0.103 0.000 1.147 251 T CB -0.410 68.278 68.868 -0.300 0.000 0.833 251 T HN 0.301 nan 8.240 nan 0.000 0.498 252 H N -0.209 118.919 119.070 0.098 0.000 2.624 252 H HA 0.615 5.171 4.556 -0.001 0.000 0.233 252 H C -0.440 174.968 175.328 0.135 0.000 1.376 252 H CA -0.289 55.779 56.048 0.032 0.000 1.137 252 H CB 0.467 30.244 29.762 0.025 0.000 1.867 252 H HN 0.190 nan 8.280 nan 0.000 0.547 253 S N 0.311 116.175 115.700 0.273 0.000 2.548 253 S HA 0.285 4.754 4.470 -0.001 0.000 0.278 253 S C 0.344 175.098 174.600 0.257 0.000 1.150 253 S CA -0.718 57.685 58.200 0.339 0.000 0.907 253 S CB 1.318 64.803 63.200 0.474 0.000 1.108 253 S HN 0.453 nan 8.310 nan 0.000 0.459 254 R N 2.858 123.474 120.500 0.192 0.000 2.297 254 R HA 0.273 4.612 4.340 -0.001 0.000 0.197 254 R C 1.540 177.856 176.300 0.026 0.000 0.943 254 R CA 0.264 56.411 56.100 0.079 0.000 1.038 254 R CB -0.231 30.113 30.300 0.074 0.000 0.957 254 R HN 0.630 nan 8.270 nan 0.000 0.484 255 L N 0.552 121.833 121.223 0.096 0.000 2.189 255 L HA -0.261 4.079 4.340 -0.001 0.000 0.214 255 L C 2.582 179.291 176.870 -0.269 0.000 1.097 255 L CA 1.371 56.203 54.840 -0.014 0.000 0.764 255 L CB -0.541 41.585 42.059 0.112 0.000 0.900 255 L HN 0.274 nan 8.230 nan 0.000 0.436 256 S N 0.667 116.121 115.700 -0.410 0.000 2.372 256 S HA -0.268 4.201 4.470 -0.001 0.000 0.227 256 S C 1.846 176.197 174.600 -0.415 0.000 1.044 256 S CA 2.005 59.764 58.200 -0.736 0.000 1.050 256 S CB -0.327 62.646 63.200 -0.379 0.000 0.901 256 S HN 0.502 nan 8.310 nan 0.000 0.447 257 N N 1.568 120.117 118.700 -0.251 0.000 2.149 257 N HA -0.084 4.655 4.740 -0.001 0.000 0.188 257 N C 1.735 177.132 175.510 -0.188 0.000 1.019 257 N CA 1.340 54.275 53.050 -0.191 0.000 0.857 257 N CB -0.852 37.556 38.487 -0.131 0.000 0.997 257 N HN 0.418 nan 8.380 nan 0.000 0.426 258 L N 1.742 122.851 121.223 -0.190 0.000 2.012 258 L HA -0.069 4.270 4.340 -0.001 0.000 0.210 258 L C 2.023 178.750 176.870 -0.239 0.000 1.073 258 L CA 1.361 56.094 54.840 -0.179 0.000 0.748 258 L CB -1.035 40.928 42.059 -0.160 0.000 0.891 258 L HN 0.111 nan 8.230 nan 0.000 0.431 259 L N -0.283 120.751 121.223 -0.315 0.000 2.046 259 L HA 0.018 4.358 4.340 -0.001 0.000 0.208 259 L C 1.626 178.308 176.870 -0.314 0.000 1.077 259 L CA 1.017 55.654 54.840 -0.339 0.000 0.747 259 L CB -0.899 40.920 42.059 -0.399 0.000 0.896 259 L HN 0.600 nan 8.230 nan 0.000 0.432 260 G N 0.465 109.117 108.800 -0.246 0.000 2.164 260 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.212 260 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.212 260 G C -0.083 174.767 174.900 -0.083 0.000 1.031 260 G CA -0.447 44.590 45.100 -0.106 0.000 0.730 260 G HN 0.134 nan 8.290 nan 0.000 0.501 261 I N 0.635 121.025 120.570 -0.300 0.000 2.428 261 I HA 0.484 4.654 4.170 -0.001 0.000 0.279 261 I C 0.601 176.557 176.117 -0.270 0.000 1.040 261 I CA -0.742 60.255 61.300 -0.505 0.000 1.171 261 I CB 0.866 38.358 38.000 -0.848 0.000 1.312 261 I HN 0.108 nan 8.210 nan 0.000 0.470 262 R N 3.334 123.692 120.500 -0.237 0.000 2.540 262 R HA 0.404 4.744 4.340 -0.001 0.000 0.287 262 R C 0.052 176.178 176.300 -0.290 0.000 0.980 262 R CA -0.784 55.154 56.100 -0.270 0.000 0.966 262 R CB 2.099 32.263 30.300 -0.227 0.000 1.106 262 R HN 0.401 nan 8.270 nan 0.000 0.480 263 K N 1.556 121.662 120.400 -0.491 0.000 2.368 263 K HA -0.016 4.303 4.320 -0.001 0.000 0.282 263 K C 0.861 177.335 176.600 -0.210 0.000 1.035 263 K CA 0.015 56.066 56.287 -0.394 0.000 0.973 263 K CB 0.771 32.923 32.500 -0.581 0.000 0.957 263 K HN 0.341 nan 8.250 nan 0.000 0.474 264 R N 2.351 122.794 120.500 -0.095 0.000 2.293 264 R HA -0.141 4.198 4.340 -0.001 0.000 0.219 264 R C 0.097 176.386 176.300 -0.019 0.000 1.091 264 R CA 1.604 57.686 56.100 -0.030 0.000 1.004 264 R CB 0.105 30.428 30.300 0.039 0.000 0.865 264 R HN 0.713 nan 8.270 nan 0.000 0.469 265 Q N -2.211 117.571 119.800 -0.030 0.000 3.449 265 Q HA 0.235 4.575 4.340 -0.001 0.000 0.272 265 Q C -2.262 173.690 176.000 -0.081 0.000 0.787 265 Q CA -1.524 54.270 55.803 -0.015 0.000 0.904 265 Q CB 1.288 30.066 28.738 0.066 0.000 1.536 265 Q HN -0.025 nan 8.270 nan 0.000 0.387 266 P HA -0.269 nan 4.420 nan 0.000 0.230 266 P C 0.527 177.612 177.300 -0.358 0.000 1.150 266 P CA 1.558 64.410 63.100 -0.413 0.000 0.933 266 P CB -0.222 31.103 31.700 -0.625 0.000 0.785 267 F N -0.009 119.910 119.950 -0.050 0.000 2.729 267 F HA -0.047 4.480 4.527 -0.001 0.000 0.299 267 F C 1.383 177.166 175.800 -0.028 0.000 1.292 267 F CA 0.369 58.347 58.000 -0.037 0.000 1.450 267 F CB -0.785 38.202 39.000 -0.022 0.000 1.109 267 F HN 0.001 nan 8.300 nan 0.000 0.561 268 Q N 1.429 121.262 119.800 0.056 0.000 2.431 268 Q HA 0.109 4.449 4.340 -0.001 0.000 0.249 268 Q C -0.090 175.919 176.000 0.015 0.000 1.025 268 Q CA -0.316 55.518 55.803 0.052 0.000 0.835 268 Q CB 1.201 29.974 28.738 0.058 0.000 1.207 268 Q HN 0.431 nan 8.270 nan 0.000 0.490 269 E N 1.540 121.751 120.200 0.017 0.000 2.529 269 E HA 0.191 4.541 4.350 -0.001 0.000 0.259 269 E C -0.102 176.492 176.600 -0.010 0.000 0.966 269 E CA 0.559 56.950 56.400 -0.015 0.000 0.937 269 E CB 0.292 29.985 29.700 -0.011 0.000 0.923 269 E HN 0.776 nan 8.360 nan 0.000 0.468 270 G N 3.966 112.751 108.800 -0.026 0.000 3.226 270 G HA2 -0.130 3.830 3.960 -0.001 0.000 0.685 270 G HA3 -0.130 3.830 3.960 -0.001 0.000 0.685 270 G C -1.063 173.962 174.900 0.209 0.000 1.207 270 G CA -0.481 44.637 45.100 0.030 0.000 0.877 270 G HN 0.501 nan 8.290 nan 0.000 0.585 271 F N 3.736 123.699 119.950 0.022 0.000 2.809 271 F HA 0.525 5.052 4.527 -0.000 0.000 0.369 271 F C 0.449 176.361 175.800 0.186 0.000 1.225 271 F CA -1.020 57.062 58.000 0.137 0.000 1.201 271 F CB 0.726 39.811 39.000 0.142 0.000 1.527 271 F HN 0.410 nan 8.300 nan 0.000 0.565 272 R N 4.784 125.421 120.500 0.228 0.000 2.445 272 R HA 0.594 4.934 4.340 -0.001 0.000 0.308 272 R C -1.174 175.233 176.300 0.177 0.000 0.961 272 R CA -0.844 55.328 56.100 0.120 0.000 0.862 272 R CB 2.906 33.256 30.300 0.084 0.000 1.144 272 R HN 0.593 nan 8.270 nan 0.000 0.447 273 I N 3.014 123.679 120.570 0.158 0.000 2.476 273 I HA 0.256 4.426 4.170 -0.001 0.000 0.281 273 I C -0.370 175.875 176.117 0.213 0.000 1.040 273 I CA -0.135 61.310 61.300 0.241 0.000 1.094 273 I CB 1.507 39.579 38.000 0.120 0.000 1.219 273 I HN 0.730 nan 8.210 nan 0.000 0.450 274 T N 2.988 117.665 114.554 0.205 0.000 2.870 274 T HA 0.283 4.633 4.350 -0.001 0.000 0.277 274 T C 0.877 175.689 174.700 0.186 0.000 1.000 274 T CA -0.256 61.946 62.100 0.170 0.000 0.982 274 T CB 1.049 70.010 68.868 0.155 0.000 1.249 274 T HN 0.497 nan 8.240 nan 0.000 0.589 275 Y N 1.290 121.590 120.300 -0.001 0.000 2.030 275 Y HA -0.162 4.388 4.550 -0.001 0.000 0.274 275 Y C 2.275 178.191 175.900 0.028 0.000 1.153 275 Y CA 2.382 60.479 58.100 -0.005 0.000 1.115 275 Y CB -0.950 37.479 38.460 -0.051 0.000 0.969 275 Y HN 0.740 nan 8.280 nan 0.000 0.488 276 D N -0.072 120.361 120.400 0.055 0.000 2.239 276 D HA -0.218 4.422 4.640 -0.001 0.000 0.202 276 D C 1.486 177.759 176.300 -0.045 0.000 0.993 276 D CA 1.640 55.613 54.000 -0.045 0.000 0.874 276 D CB -0.214 40.599 40.800 0.022 0.000 0.922 276 D HN 0.527 nan 8.370 nan 0.000 0.464 277 D N 0.783 121.199 120.400 0.027 0.000 2.091 277 D HA -0.022 4.618 4.640 -0.001 0.000 0.199 277 D C 1.275 177.648 176.300 0.121 0.000 0.980 277 D CA 0.201 54.252 54.000 0.086 0.000 0.831 277 D CB -0.171 40.745 40.800 0.194 0.000 0.987 277 D HN 0.228 nan 8.370 nan 0.000 0.460 278 L N 2.065 123.352 121.223 0.106 0.000 2.505 278 L HA 0.059 4.398 4.340 -0.001 0.000 0.275 278 L C 0.646 177.468 176.870 -0.080 0.000 1.264 278 L CA 0.178 55.059 54.840 0.069 0.000 1.148 278 L CB -0.417 41.692 42.059 0.084 0.000 1.377 278 L HN -0.034 nan 8.230 nan 0.000 0.442 279 E N 2.033 122.203 120.200 -0.050 0.000 2.214 279 E HA 0.482 4.832 4.350 -0.001 0.000 0.274 279 E C 0.157 176.704 176.600 -0.090 0.000 0.977 279 E CA -0.430 55.910 56.400 -0.100 0.000 0.827 279 E CB 1.603 31.264 29.700 -0.065 0.000 1.130 279 E HN 0.532 nan 8.360 nan 0.000 0.394 280 G N 1.746 110.481 108.800 -0.108 0.000 2.920 280 G HA2 0.051 4.010 3.960 -0.001 0.000 0.210 280 G HA3 0.051 4.010 3.960 -0.001 0.000 0.210 280 G C 0.432 175.247 174.900 -0.142 0.000 0.806 280 G CA 0.204 45.237 45.100 -0.111 0.000 0.853 280 G HN 1.143 nan 8.290 nan 0.000 0.333 281 G N 0.674 109.345 108.800 -0.214 0.000 2.511 281 G HA2 0.123 4.082 3.960 -0.001 0.000 0.205 281 G HA3 0.123 4.082 3.960 -0.001 0.000 0.205 281 G C -0.313 174.462 174.900 -0.208 0.000 1.098 281 G CA 0.002 44.975 45.100 -0.211 0.000 0.812 281 G HN 1.107 nan 8.290 nan 0.000 0.497 282 N N 0.222 118.734 118.700 -0.314 0.000 2.479 282 N HA 0.566 5.305 4.740 -0.001 0.000 0.285 282 N C 0.780 176.136 175.510 -0.257 0.000 1.075 282 N CA -0.551 52.374 53.050 -0.207 0.000 0.967 282 N CB 1.233 39.630 38.487 -0.150 0.000 1.137 282 N HN 0.317 nan 8.380 nan 0.000 0.472 283 I N 2.817 123.309 120.570 -0.130 0.000 2.752 283 I HA -0.012 4.158 4.170 -0.001 0.000 0.286 283 I C -1.881 174.281 176.117 0.076 0.000 1.180 283 I CA -0.993 60.250 61.300 -0.095 0.000 1.404 283 I CB 0.127 37.962 38.000 -0.275 0.000 1.389 283 I HN 0.267 nan 8.210 nan 0.000 0.549 284 P HA 0.065 nan 4.420 nan 0.000 0.270 284 P C -0.616 177.003 177.300 0.533 0.000 1.223 284 P CA -0.211 63.210 63.100 0.535 0.000 0.785 284 P CB 0.660 32.768 31.700 0.679 0.000 0.923 285 A N 2.464 125.549 122.820 0.443 0.000 2.302 285 A HA 0.415 4.735 4.320 -0.001 0.000 0.285 285 A C -0.134 177.560 177.584 0.183 0.000 1.105 285 A CA -0.573 51.669 52.037 0.341 0.000 0.816 285 A CB -0.249 18.902 19.000 0.251 0.000 1.067 285 A HN 0.490 nan 8.150 nan 0.000 0.489 286 L N 1.908 123.175 121.223 0.073 0.000 2.416 286 L HA 0.217 4.556 4.340 -0.001 0.000 0.272 286 L C 0.501 177.346 176.870 -0.041 0.000 1.161 286 L CA -0.195 54.582 54.840 -0.105 0.000 0.845 286 L CB 0.589 42.549 42.059 -0.164 0.000 1.119 286 L HN 0.752 nan 8.230 nan 0.000 0.464 287 L N 2.682 123.858 121.223 -0.079 0.000 2.439 287 L HA 0.150 4.489 4.340 -0.001 0.000 0.269 287 L C 0.385 177.215 176.870 -0.067 0.000 1.179 287 L CA -0.310 54.481 54.840 -0.083 0.000 0.828 287 L CB 0.762 42.738 42.059 -0.139 0.000 1.106 287 L HN 0.562 nan 8.230 nan 0.000 0.467 288 D N 3.325 123.699 120.400 -0.044 0.000 2.342 288 D HA 0.033 4.672 4.640 -0.001 0.000 0.260 288 D C 1.084 177.385 176.300 0.002 0.000 1.278 288 D CA -0.041 53.945 54.000 -0.024 0.000 0.910 288 D CB 1.366 42.161 40.800 -0.009 0.000 1.079 288 D HN 0.490 nan 8.370 nan 0.000 0.496 289 V N 4.328 124.237 119.914 -0.008 0.000 2.261 289 V HA -0.215 3.905 4.120 -0.001 0.000 0.246 289 V C 2.009 178.147 176.094 0.072 0.000 1.047 289 V CA 1.395 63.706 62.300 0.017 0.000 1.015 289 V CB -0.294 31.527 31.823 -0.002 0.000 0.642 289 V HN 0.539 nan 8.190 nan 0.000 0.446 290 D N 0.647 121.070 120.400 0.038 0.000 2.078 290 D HA -0.151 4.489 4.640 -0.001 0.000 0.193 290 D C 2.316 178.642 176.300 0.043 0.000 0.990 290 D CA 1.811 55.831 54.000 0.034 0.000 0.827 290 D CB -0.412 40.392 40.800 0.008 0.000 0.975 290 D HN 0.395 nan 8.370 nan 0.000 0.451 291 A N 0.662 123.505 122.820 0.038 0.000 1.915 291 A HA -0.287 4.033 4.320 -0.001 0.000 0.220 291 A C 2.226 179.844 177.584 0.057 0.000 1.198 291 A CA 1.955 54.012 52.037 0.033 0.000 0.647 291 A CB -1.293 17.726 19.000 0.031 0.000 0.825 291 A HN 0.386 nan 8.150 nan 0.000 0.456 292 Y N -0.147 120.134 120.300 -0.032 0.000 2.133 292 Y HA -0.220 4.329 4.550 -0.001 0.000 0.287 292 Y C 2.746 178.631 175.900 -0.026 0.000 1.134 292 Y CA 2.296 60.378 58.100 -0.030 0.000 1.133 292 Y CB -0.285 38.155 38.460 -0.033 0.000 0.987 292 Y HN 0.301 nan 8.280 nan 0.000 0.502 293 Q N 0.220 120.086 119.800 0.110 0.000 2.030 293 Q HA -0.198 4.141 4.340 -0.001 0.000 0.204 293 Q C 2.546 178.509 176.000 -0.061 0.000 0.986 293 Q CA 1.652 57.464 55.803 0.014 0.000 0.843 293 Q CB -1.040 27.737 28.738 0.065 0.000 0.904 293 Q HN 0.616 nan 8.270 nan 0.000 0.420 294 A N 0.650 123.450 122.820 -0.034 0.000 2.032 294 A HA -0.116 4.203 4.320 -0.001 0.000 0.221 294 A C 1.707 179.247 177.584 -0.072 0.000 1.165 294 A CA 1.281 53.292 52.037 -0.042 0.000 0.645 294 A CB -0.346 18.639 19.000 -0.025 0.000 0.807 294 A HN 0.307 nan 8.150 nan 0.000 0.453 295 S N -2.200 113.431 115.700 -0.115 0.000 2.686 295 S HA 0.507 4.977 4.470 -0.001 0.000 0.270 295 S C -0.167 174.330 174.600 -0.173 0.000 1.194 295 S CA 0.050 58.166 58.200 -0.139 0.000 0.990 295 S CB 0.417 63.519 63.200 -0.163 0.000 1.029 295 S HN 0.986 nan 8.310 nan 0.000 0.560 296 L N 0.830 121.963 121.223 -0.151 0.000 2.869 296 L HA -0.022 4.317 4.340 -0.001 0.000 0.656 296 L C 0.338 177.156 176.870 -0.087 0.000 1.328 296 L CA 0.995 55.754 54.840 -0.134 0.000 1.185 296 L CB -1.663 40.292 42.059 -0.175 0.000 1.974 296 L HN 0.896 nan 8.230 nan 0.000 0.851 297 K N -1.019 119.340 120.400 -0.069 0.000 2.826 297 K HA 0.219 4.539 4.320 -0.001 0.000 0.195 297 K C 0.309 176.884 176.600 -0.042 0.000 1.516 297 K CA 0.267 56.524 56.287 -0.049 0.000 1.213 297 K CB 0.927 33.401 32.500 -0.044 0.000 1.762 297 K HN 0.406 nan 8.250 nan 0.000 0.583 374 Q N 0.215 120.005 119.800 -0.016 0.000 1.882 374 Q HA 0.132 4.472 4.340 -0.001 0.000 0.188 374 Q C -0.374 175.612 176.000 -0.023 0.000 0.795 374 Q CA 0.100 55.890 55.803 -0.021 0.000 0.932 374 Q CB 0.905 29.631 28.738 -0.021 0.000 1.239 374 Q HN 0.622 nan 8.270 nan 0.000 0.406 375 K N 0.787 121.176 120.400 -0.018 0.000 2.604 375 K HA -0.072 4.248 4.320 -0.001 0.000 0.277 375 K C -0.286 176.300 176.600 -0.023 0.000 0.966 375 K CA 0.735 57.013 56.287 -0.016 0.000 0.991 375 K CB 0.517 33.010 32.500 -0.012 0.000 0.865 375 K HN -0.166 nan 8.250 nan 0.000 0.511 376 K N 0.955 121.346 120.400 -0.014 0.000 2.185 376 K HA 0.217 4.537 4.320 -0.001 0.000 0.240 376 K C -1.753 174.853 176.600 0.009 0.000 0.983 376 K CA -2.106 54.165 56.287 -0.027 0.000 0.873 376 K CB 1.134 33.619 32.500 -0.025 0.000 1.118 376 K HN 0.504 nan 8.250 nan 0.000 0.441 377 P HA -0.089 nan 4.420 nan 0.000 0.239 377 P C 1.093 178.481 177.300 0.147 0.000 1.184 377 P CA 0.476 63.607 63.100 0.051 0.000 0.760 377 P CB 0.128 31.836 31.700 0.013 0.000 0.884 378 V N 1.832 121.878 119.914 0.220 0.000 2.239 378 V HA -0.316 3.804 4.120 -0.001 0.000 0.246 378 V C 2.640 178.758 176.094 0.041 0.000 1.037 378 V CA 2.339 64.739 62.300 0.165 0.000 1.012 378 V CB -1.240 30.649 31.823 0.110 0.000 0.650 378 V HN 0.037 nan 8.190 nan 0.000 0.467 379 I N -0.875 119.703 120.570 0.013 0.000 2.310 379 I HA -0.357 3.812 4.170 -0.001 0.000 0.256 379 I C 1.417 177.523 176.117 -0.019 0.000 1.060 379 I CA 1.463 62.753 61.300 -0.017 0.000 1.362 379 I CB -0.606 37.385 38.000 -0.014 0.000 1.044 379 I HN 0.284 nan 8.210 nan 0.000 0.443 380 K N 3.303 123.702 120.400 -0.002 0.000 2.307 380 K HA 0.070 4.389 4.320 -0.001 0.000 0.285 380 K C -2.155 174.433 176.600 -0.019 0.000 1.073 380 K CA -1.291 54.991 56.287 -0.009 0.000 0.996 380 K CB 0.351 32.851 32.500 0.001 0.000 0.994 380 K HN 0.061 nan 8.250 nan 0.000 0.452 381 P HA 0.048 nan 4.420 nan 0.000 0.297 381 P C -0.410 176.874 177.300 -0.027 0.000 1.319 381 P CA -0.761 62.328 63.100 -0.017 0.000 0.810 381 P CB 0.979 32.679 31.700 -0.000 0.000 0.947 382 L N 3.915 125.112 121.223 -0.043 0.000 2.536 382 L HA -0.048 4.292 4.340 -0.001 0.000 0.294 382 L C 1.388 178.169 176.870 -0.148 0.000 1.257 382 L CA 1.705 56.482 54.840 -0.105 0.000 0.850 382 L CB -0.423 41.556 42.059 -0.135 0.000 1.105 382 L HN 0.468 nan 8.230 nan 0.000 0.517 383 T N 1.596 116.016 114.554 -0.224 0.000 2.987 383 T HA 0.272 4.622 4.350 -0.001 0.000 0.248 383 T C -0.082 174.377 174.700 -0.403 0.000 0.997 383 T CA 0.087 62.057 62.100 -0.216 0.000 1.013 383 T CB 0.390 69.190 68.868 -0.114 0.000 1.077 383 T HN 0.630 nan 8.240 nan 0.000 0.483 384 E N 0.181 120.097 120.200 -0.474 0.000 2.458 384 E HA 0.500 4.850 4.350 -0.001 0.000 0.278 384 E C -1.793 174.562 176.600 -0.408 0.000 1.004 384 E CA -0.809 55.313 56.400 -0.463 0.000 0.823 384 E CB 1.898 31.497 29.700 -0.169 0.000 1.396 384 E HN -0.076 nan 8.360 nan 0.000 0.463 385 D N -0.198 120.090 120.400 -0.187 0.000 2.671 385 D HA 0.232 4.872 4.640 -0.001 0.000 0.232 385 D C -1.052 175.260 176.300 0.019 0.000 1.114 385 D CA -0.501 53.467 54.000 -0.053 0.000 0.858 385 D CB 1.976 42.837 40.800 0.101 0.000 1.544 385 D HN 0.380 nan 8.370 nan 0.000 0.471 386 S N 2.438 118.148 115.700 0.017 0.000 4.273 386 S HA -0.191 4.279 4.470 -0.001 0.000 0.512 386 S C 0.462 175.090 174.600 0.047 0.000 1.063 386 S CA 0.922 59.138 58.200 0.026 0.000 0.904 386 S CB -0.141 63.078 63.200 0.032 0.000 0.778 386 S HN 0.609 nan 8.310 nan 0.000 0.467 387 K N 0.421 120.844 120.400 0.038 0.000 3.424 387 K HA -0.151 4.169 4.320 -0.001 0.000 0.297 387 K C -0.488 176.146 176.600 0.056 0.000 1.365 387 K CA 0.647 56.965 56.287 0.051 0.000 0.889 387 K CB -1.384 31.158 32.500 0.071 0.000 1.455 387 K HN 0.819 nan 8.250 nan 0.000 0.483 388 K N 0.868 121.288 120.400 0.033 0.000 4.789 388 K HA -0.268 4.052 4.320 -0.001 0.000 0.290 388 K C -0.692 175.936 176.600 0.045 0.000 0.798 388 K CA 1.161 57.458 56.287 0.017 0.000 0.860 388 K CB -0.903 31.601 32.500 0.008 0.000 1.852 388 K HN 0.319 nan 8.250 nan 0.000 0.413 389 R N 1.242 121.785 120.500 0.073 0.000 2.255 389 R HA 0.237 4.576 4.340 -0.001 0.000 0.326 389 R C -0.095 176.282 176.300 0.128 0.000 0.986 389 R CA -0.688 55.488 56.100 0.128 0.000 0.847 389 R CB 1.402 31.826 30.300 0.207 0.000 1.111 389 R HN 0.156 nan 8.270 nan 0.000 0.452 390 S N 2.290 118.049 115.700 0.099 0.000 2.549 390 S HA 0.002 4.471 4.470 -0.001 0.000 0.286 390 S C 0.029 174.751 174.600 0.205 0.000 1.314 390 S CA -0.120 58.130 58.200 0.082 0.000 1.062 390 S CB 0.225 63.445 63.200 0.034 0.000 0.865 390 S HN 0.490 nan 8.310 nan 0.000 0.498 391 Y N 1.780 122.024 120.300 -0.092 0.000 2.532 391 Y HA 0.195 4.745 4.550 -0.001 0.000 0.283 391 Y C 0.718 176.445 175.900 -0.289 0.000 1.181 391 Y CA -1.488 56.507 58.100 -0.174 0.000 1.256 391 Y CB -1.166 37.257 38.460 -0.062 0.000 1.112 391 Y HN 0.654 nan 8.280 nan 0.000 0.521 392 N N 1.224 119.882 118.700 -0.070 0.000 2.664 392 N HA -0.218 4.521 4.740 -0.001 0.000 0.296 392 N C -1.236 174.226 175.510 -0.080 0.000 1.153 392 N CA 0.425 53.407 53.050 -0.115 0.000 0.765 392 N CB -0.638 37.712 38.487 -0.228 0.000 0.962 392 N HN 0.126 nan 8.380 nan 0.000 0.564 393 L N 1.852 123.072 121.223 -0.005 0.000 2.312 393 L HA 0.353 4.693 4.340 -0.001 0.000 0.281 393 L C 2.079 178.970 176.870 0.036 0.000 1.070 393 L CA -0.253 54.607 54.840 0.033 0.000 0.805 393 L CB 0.822 42.911 42.059 0.051 0.000 1.174 393 L HN 0.403 nan 8.230 nan 0.000 0.434 394 I N 0.439 121.048 120.570 0.065 0.000 2.053 394 I HA -0.287 3.883 4.170 -0.001 0.000 0.236 394 I C 0.826 176.970 176.117 0.045 0.000 1.038 394 I CA 1.551 62.891 61.300 0.067 0.000 1.304 394 I CB 0.358 38.419 38.000 0.101 0.000 1.023 394 I HN 0.668 nan 8.210 nan 0.000 0.395 395 S N 0.449 116.171 115.700 0.037 0.000 2.704 395 S HA 0.204 4.674 4.470 -0.001 0.000 0.305 395 S C 0.539 175.145 174.600 0.011 0.000 1.107 395 S CA -0.235 57.977 58.200 0.020 0.000 0.993 395 S CB 1.544 64.751 63.200 0.012 0.000 1.110 395 S HN 0.566 nan 8.310 nan 0.000 0.534 396 N N 0.854 119.557 118.700 0.004 0.000 2.571 396 N HA -0.073 4.667 4.740 -0.001 0.000 0.189 396 N C 0.429 175.934 175.510 -0.008 0.000 1.154 396 N CA 0.700 53.748 53.050 -0.002 0.000 0.907 396 N CB -0.001 38.483 38.487 -0.004 0.000 0.977 396 N HN 0.533 nan 8.380 nan 0.000 0.449 397 D N 0.403 120.797 120.400 -0.010 0.000 2.844 397 D HA 0.091 4.730 4.640 -0.001 0.000 0.271 397 D C -0.273 176.004 176.300 -0.038 0.000 1.386 397 D CA 0.209 54.196 54.000 -0.023 0.000 1.053 397 D CB -0.029 40.758 40.800 -0.022 0.000 1.107 397 D HN 0.027 nan 8.370 nan 0.000 0.395 398 S N 0.201 115.876 115.700 -0.042 0.000 2.593 398 S HA -0.061 4.409 4.470 -0.001 0.000 0.303 398 S C 1.238 175.788 174.600 -0.084 0.000 1.267 398 S CA 0.722 58.872 58.200 -0.084 0.000 1.047 398 S CB 0.747 63.924 63.200 -0.039 0.000 0.777 398 S HN 0.468 nan 8.310 nan 0.000 0.498 399 T N 0.014 114.445 114.554 -0.205 0.000 3.148 399 T HA 0.200 4.549 4.350 -0.001 0.000 0.253 399 T C 0.175 174.923 174.700 0.079 0.000 1.134 399 T CA 0.246 62.270 62.100 -0.126 0.000 1.051 399 T CB -0.460 68.281 68.868 -0.211 0.000 0.959 399 T HN 0.469 nan 8.240 nan 0.000 0.525 400 F N 2.765 122.768 119.950 0.089 0.000 2.420 400 F HA 0.430 4.957 4.527 -0.001 0.000 0.342 400 F C 1.274 177.116 175.800 0.071 0.000 1.113 400 F CA -1.492 56.565 58.000 0.095 0.000 1.059 400 F CB 1.392 40.439 39.000 0.077 0.000 1.128 400 F HN 0.006 nan 8.300 nan 0.000 0.475 401 T N -0.262 114.458 114.554 0.276 0.000 2.849 401 T HA 0.122 4.472 4.350 -0.001 0.000 0.284 401 T C 0.692 175.440 174.700 0.079 0.000 1.004 401 T CA -0.563 61.602 62.100 0.109 0.000 1.021 401 T CB 1.435 70.314 68.868 0.020 0.000 1.013 401 T HN 0.726 nan 8.240 nan 0.000 0.527 402 Q N -0.154 119.644 119.800 -0.003 0.000 2.297 402 Q HA 0.039 4.379 4.340 -0.001 0.000 0.204 402 Q C -0.118 176.006 176.000 0.207 0.000 0.962 402 Q CA 0.582 56.442 55.803 0.094 0.000 0.879 402 Q CB -0.159 28.595 28.738 0.027 0.000 0.947 402 Q HN 0.702 nan 8.270 nan 0.000 0.462 403 Y N 1.483 121.778 120.300 -0.008 0.000 2.632 403 Y HA 0.005 4.554 4.550 -0.001 0.000 0.329 403 Y C 0.416 176.287 175.900 -0.047 0.000 1.174 403 Y CA -0.338 57.711 58.100 -0.084 0.000 1.469 403 Y CB 0.347 38.659 38.460 -0.247 0.000 1.242 403 Y HN -0.007 nan 8.280 nan 0.000 0.540 404 R N 2.255 122.870 120.500 0.192 0.000 2.494 404 R HA 0.338 4.677 4.340 -0.001 0.000 0.305 404 R C -0.755 175.561 176.300 0.027 0.000 0.959 404 R CA -0.678 55.475 56.100 0.087 0.000 0.864 404 R CB 2.027 32.391 30.300 0.107 0.000 1.159 404 R HN 0.481 nan 8.270 nan 0.000 0.446 405 S N 1.506 117.214 115.700 0.013 0.000 2.475 405 S HA 0.132 4.601 4.470 -0.001 0.000 0.298 405 S C 0.418 175.117 174.600 0.165 0.000 1.119 405 S CA -0.755 57.503 58.200 0.097 0.000 1.085 405 S CB 0.732 64.023 63.200 0.152 0.000 1.028 405 S HN 0.712 nan 8.310 nan 0.000 0.489 406 W N 5.448 126.808 121.300 0.100 0.000 2.353 406 W HA -0.151 4.509 4.660 -0.001 0.000 0.319 406 W C 1.655 178.256 176.519 0.137 0.000 1.207 406 W CA 1.817 59.224 57.345 0.103 0.000 1.291 406 W CB -0.989 28.526 29.460 0.091 0.000 1.159 406 W HN 0.971 nan 8.180 nan 0.000 0.478 407 Y N 0.775 121.061 120.300 -0.024 0.000 2.062 407 Y HA -0.378 4.171 4.550 -0.001 0.000 0.276 407 Y C 2.356 178.095 175.900 -0.268 0.000 1.189 407 Y CA 2.790 60.731 58.100 -0.265 0.000 1.130 407 Y CB -1.163 37.331 38.460 0.057 0.000 0.959 407 Y HN -0.003 nan 8.280 nan 0.000 0.499 408 L N -0.128 121.118 121.223 0.037 0.000 1.990 408 L HA -0.276 4.064 4.340 -0.001 0.000 0.213 408 L C 2.724 179.519 176.870 -0.126 0.000 1.072 408 L CA 2.173 57.045 54.840 0.053 0.000 0.755 408 L CB -1.587 40.523 42.059 0.084 0.000 0.889 408 L HN 0.365 nan 8.230 nan 0.000 0.432 409 A N -1.452 121.257 122.820 -0.186 0.000 1.842 409 A HA -0.345 3.975 4.320 -0.001 0.000 0.217 409 A C 2.300 179.684 177.584 -0.332 0.000 1.206 409 A CA 2.100 54.012 52.037 -0.208 0.000 0.630 409 A CB -1.382 17.533 19.000 -0.143 0.000 0.839 409 A HN 0.480 nan 8.150 nan 0.000 0.447 410 Y N 1.385 121.259 120.300 -0.711 0.000 2.062 410 Y HA -0.309 4.241 4.550 -0.001 0.000 0.276 410 Y C 2.376 177.884 175.900 -0.653 0.000 1.189 410 Y CA 2.595 60.235 58.100 -0.766 0.000 1.130 410 Y CB -0.221 37.451 38.460 -1.312 0.000 0.959 410 Y HN 0.386 nan 8.280 nan 0.000 0.499 411 N N -1.833 116.424 118.700 -0.738 0.000 2.333 411 N HA -0.120 4.619 4.740 -0.001 0.000 0.178 411 N C 1.255 176.232 175.510 -0.889 0.000 1.018 411 N CA 1.524 54.021 53.050 -0.922 0.000 0.882 411 N CB -0.248 37.445 38.487 -1.323 0.000 0.984 411 N HN 0.499 nan 8.380 nan 0.000 0.434 412 Y N 0.000 120.091 120.300 -0.349 0.000 2.535 412 Y HA 0.332 4.882 4.550 -0.001 0.000 0.264 412 Y C 1.598 177.360 175.900 -0.230 0.000 1.087 412 Y CA -0.460 57.477 58.100 -0.272 0.000 1.285 412 Y CB 0.443 38.743 38.460 -0.267 0.000 1.200 412 Y HN -0.128 nan 8.280 nan 0.000 0.514 413 G N 0.376 109.112 108.800 -0.108 0.000 2.348 413 G HA2 0.133 4.093 3.960 -0.001 0.000 0.312 413 G HA3 0.133 4.093 3.960 -0.001 0.000 0.312 413 G C -0.908 173.920 174.900 -0.120 0.000 1.126 413 G CA -0.442 44.598 45.100 -0.100 0.000 0.865 413 G HN 0.096 nan 8.290 nan 0.000 0.474 414 D N 2.282 122.631 120.400 -0.085 0.000 7.547 414 D HA -0.129 4.511 4.640 -0.001 0.000 0.125 414 D C -1.214 175.023 176.300 -0.105 0.000 1.148 414 D CA -0.258 53.695 54.000 -0.078 0.000 0.811 414 D CB 0.901 41.673 40.800 -0.047 0.000 1.599 414 D HN 0.075 nan 8.370 nan 0.000 0.920 415 P HA -0.091 nan 4.420 nan 0.000 0.219 415 P C 1.005 178.246 177.300 -0.098 0.000 1.150 415 P CA 1.061 64.060 63.100 -0.169 0.000 0.814 415 P CB 0.194 31.781 31.700 -0.187 0.000 0.787 416 Q N -2.074 117.690 119.800 -0.060 0.000 2.451 416 Q HA 0.066 4.405 4.340 -0.001 0.000 0.206 416 Q C 1.084 177.086 176.000 0.002 0.000 0.947 416 Q CA 0.980 56.768 55.803 -0.025 0.000 0.937 416 Q CB -0.005 28.720 28.738 -0.023 0.000 1.025 416 Q HN 0.201 nan 8.270 nan 0.000 0.511 417 T N -1.217 113.338 114.554 0.002 0.000 3.057 417 T HA 0.134 4.484 4.350 -0.001 0.000 0.254 417 T C 0.860 175.595 174.700 0.060 0.000 0.965 417 T CA 0.270 62.385 62.100 0.025 0.000 0.978 417 T CB 0.313 69.183 68.868 0.004 0.000 1.169 417 T HN 0.365 nan 8.240 nan 0.000 0.489 418 G N 1.107 109.926 108.800 0.032 0.000 2.518 418 G HA2 0.236 4.196 3.960 -0.001 0.000 0.284 418 G HA3 0.236 4.196 3.960 -0.001 0.000 0.284 418 G C 0.992 176.017 174.900 0.208 0.000 1.362 418 G CA -0.335 44.803 45.100 0.063 0.000 1.065 418 G HN 0.340 nan 8.290 nan 0.000 0.561 419 I N -0.581 120.136 120.570 0.246 0.000 2.493 419 I HA -0.117 4.053 4.170 -0.001 0.000 0.254 419 I C 2.826 179.040 176.117 0.162 0.000 1.160 419 I CA 0.931 62.480 61.300 0.414 0.000 1.445 419 I CB -0.241 38.018 38.000 0.431 0.000 1.086 419 I HN 0.476 nan 8.210 nan 0.000 0.433 420 R N 1.135 121.614 120.500 -0.035 0.000 2.226 420 R HA -0.220 4.119 4.340 -0.001 0.000 0.246 420 R C 2.285 178.534 176.300 -0.085 0.000 1.161 420 R CA 1.811 57.704 56.100 -0.346 0.000 0.997 420 R CB -0.324 29.579 30.300 -0.663 0.000 0.870 420 R HN 0.364 nan 8.270 nan 0.000 0.465 421 S N -0.235 115.508 115.700 0.072 0.000 2.317 421 S HA -0.097 4.373 4.470 -0.001 0.000 0.212 421 S C 1.533 176.267 174.600 0.224 0.000 1.030 421 S CA 0.875 59.165 58.200 0.149 0.000 0.970 421 S CB -0.488 62.837 63.200 0.209 0.000 0.928 421 S HN 0.675 nan 8.310 nan 0.000 0.451 422 W N 2.034 123.404 121.300 0.117 0.000 3.256 422 W HA 0.390 5.050 4.660 -0.001 0.000 0.269 422 W C 0.485 177.115 176.519 0.185 0.000 1.310 422 W CA 0.153 57.577 57.345 0.132 0.000 1.673 422 W CB -1.749 27.786 29.460 0.126 0.000 1.115 422 W HN 0.275 nan 8.180 nan 0.000 0.686 423 T N 1.446 115.779 114.554 -0.369 0.000 2.888 423 T HA 0.618 4.967 4.350 -0.001 0.000 0.288 423 T C -1.569 173.158 174.700 0.046 0.000 1.063 423 T CA -0.514 61.402 62.100 -0.307 0.000 1.010 423 T CB 1.795 70.424 68.868 -0.398 0.000 1.214 423 T HN -0.029 nan 8.240 nan 0.000 0.533 424 L N 3.086 124.302 121.223 -0.012 0.000 2.438 424 L HA 0.713 5.053 4.340 -0.001 0.000 0.270 424 L C -1.558 175.228 176.870 -0.140 0.000 0.972 424 L CA -0.880 53.967 54.840 0.012 0.000 0.831 424 L CB 1.632 43.685 42.059 -0.009 0.000 1.273 424 L HN 0.592 nan 8.230 nan 0.000 0.405 425 L N 6.388 127.415 121.223 -0.325 0.000 2.319 425 L HA 0.744 5.084 4.340 -0.001 0.000 0.280 425 L C -0.461 176.355 176.870 -0.090 0.000 1.099 425 L CA 0.146 54.801 54.840 -0.308 0.000 0.828 425 L CB 0.189 41.861 42.059 -0.643 0.000 1.150 425 L HN 0.920 nan 8.230 nan 0.000 0.442 426 C N 0.281 119.586 119.300 0.008 0.000 3.321 426 C HA 0.568 5.028 4.460 -0.001 0.000 0.329 426 C C 0.337 175.414 174.990 0.146 0.000 1.394 426 C CA -0.983 58.073 59.018 0.064 0.000 1.291 426 C CB 0.765 28.507 27.740 0.003 0.000 1.606 426 C HN 0.813 nan 8.230 nan 0.000 0.463 427 T N 3.416 118.019 114.554 0.082 0.000 2.946 427 T HA 0.166 4.515 4.350 -0.001 0.000 0.312 427 T C -1.360 173.331 174.700 -0.014 0.000 1.066 427 T CA 0.543 62.672 62.100 0.047 0.000 1.138 427 T CB 0.296 69.174 68.868 0.017 0.000 1.014 427 T HN 0.679 nan 8.240 nan 0.000 0.544 428 P HA -0.122 nan 4.420 nan 0.000 0.205 428 P C 0.111 177.356 177.300 -0.091 0.000 1.181 428 P CA 1.095 64.122 63.100 -0.122 0.000 0.933 428 P CB 0.062 31.675 31.700 -0.144 0.000 0.775 429 D N -1.892 118.469 120.400 -0.064 0.000 5.036 429 D HA -0.109 4.531 4.640 -0.001 0.000 0.231 429 D C 0.661 176.931 176.300 -0.051 0.000 1.396 429 D CA 0.509 54.481 54.000 -0.047 0.000 1.180 429 D CB -0.454 40.318 40.800 -0.048 0.000 0.614 429 D HN 0.060 nan 8.370 nan 0.000 0.300 430 V N 2.694 122.589 119.914 -0.031 0.000 2.358 430 V HA -0.183 3.937 4.120 -0.001 0.000 0.246 430 V C 2.725 178.801 176.094 -0.029 0.000 1.047 430 V CA 2.904 65.186 62.300 -0.030 0.000 1.035 430 V CB -1.305 30.513 31.823 -0.008 0.000 0.658 430 V HN 0.835 nan 8.190 nan 0.000 0.452 431 T N -2.675 111.869 114.554 -0.017 0.000 2.882 431 T HA -0.352 3.998 4.350 -0.001 0.000 0.268 431 T C 1.418 176.106 174.700 -0.020 0.000 1.104 431 T CA 1.658 63.748 62.100 -0.016 0.000 1.118 431 T CB -1.418 67.453 68.868 0.005 0.000 0.831 431 T HN 1.169 nan 8.240 nan 0.000 0.529 432 C N -0.352 118.930 119.300 -0.030 0.000 4.933 432 C HA 0.100 4.559 4.460 -0.001 0.000 0.249 432 C C 1.145 176.117 174.990 -0.031 0.000 1.406 432 C CA 0.523 59.520 59.018 -0.034 0.000 1.505 432 C CB -2.108 25.626 27.740 -0.010 0.000 1.870 432 C HN 1.832 nan 8.230 nan 0.000 0.651 433 G N 0.011 108.797 108.800 -0.024 0.000 2.693 433 G HA2 0.364 4.324 3.960 -0.001 0.000 0.290 433 G HA3 0.364 4.324 3.960 -0.001 0.000 0.290 433 G C -0.506 174.392 174.900 -0.004 0.000 1.378 433 G CA 0.016 45.102 45.100 -0.023 0.000 1.120 433 G HN 0.859 nan 8.290 nan 0.000 0.609 434 S N 2.483 118.182 115.700 -0.002 0.000 2.571 434 S HA 0.301 4.771 4.470 -0.001 0.000 0.297 434 S C 0.376 174.987 174.600 0.018 0.000 1.234 434 S CA 0.060 58.269 58.200 0.016 0.000 1.120 434 S CB 0.830 64.037 63.200 0.012 0.000 0.923 434 S HN 0.548 nan 8.310 nan 0.000 0.504 435 E N 2.539 122.754 120.200 0.023 0.000 2.221 435 E HA 0.324 4.673 4.350 -0.001 0.000 0.268 435 E C 0.122 176.727 176.600 0.009 0.000 0.933 435 E CA -0.823 55.584 56.400 0.013 0.000 0.809 435 E CB 1.173 30.880 29.700 0.013 0.000 1.190 435 E HN 0.665 nan 8.360 nan 0.000 0.406 436 Q N 0.133 119.918 119.800 -0.026 0.000 2.252 436 Q HA 0.642 4.981 4.340 -0.001 0.000 0.256 436 Q C -0.284 175.605 176.000 -0.184 0.000 1.020 436 Q CA -0.968 54.812 55.803 -0.038 0.000 0.913 436 Q CB 1.318 30.075 28.738 0.031 0.000 1.286 436 Q HN 0.262 nan 8.270 nan 0.000 0.480 437 V N -2.229 117.597 119.914 -0.146 0.000 3.001 437 V HA 0.667 4.786 4.120 -0.001 0.000 0.314 437 V C -1.188 174.857 176.094 -0.083 0.000 1.099 437 V CA -1.079 61.082 62.300 -0.233 0.000 0.989 437 V CB 1.645 33.383 31.823 -0.143 0.000 1.040 437 V HN 0.792 nan 8.190 nan 0.000 0.434 438 Y N 0.080 120.387 120.300 0.012 0.000 2.350 438 Y HA 0.564 5.114 4.550 -0.000 0.000 0.338 438 Y C -0.608 175.305 175.900 0.021 0.000 0.961 438 Y CA -0.713 57.435 58.100 0.079 0.000 1.100 438 Y CB 1.800 40.338 38.460 0.129 0.000 1.179 438 Y HN 0.701 nan 8.280 nan 0.000 0.454 439 W N 1.841 123.238 121.300 0.161 0.000 2.215 439 W HA 0.564 5.224 4.660 -0.000 0.000 0.342 439 W C -0.477 176.070 176.519 0.045 0.000 1.237 439 W CA -0.094 57.280 57.345 0.048 0.000 1.283 439 W CB 1.392 30.777 29.460 -0.124 0.000 1.131 439 W HN 0.341 nan 8.180 nan 0.000 0.606 440 S N 1.522 117.405 115.700 0.306 0.000 2.562 440 S HA 0.510 4.980 4.470 -0.001 0.000 0.274 440 S C -1.048 173.585 174.600 0.056 0.000 1.160 440 S CA -0.937 57.361 58.200 0.163 0.000 0.933 440 S CB 0.636 63.982 63.200 0.243 0.000 1.100 440 S HN 0.438 nan 8.310 nan 0.000 0.468 441 L N 2.122 123.321 121.223 -0.041 0.000 2.913 441 L HA 0.308 4.648 4.340 -0.001 0.000 0.283 441 L C -2.132 174.636 176.870 -0.170 0.000 1.336 441 L CA -1.927 52.850 54.840 -0.104 0.000 0.815 441 L CB 0.794 42.808 42.059 -0.076 0.000 1.188 441 L HN 0.389 nan 8.230 nan 0.000 0.551 442 P HA -0.254 nan 4.420 nan 0.000 0.222 442 P C 0.769 177.934 177.300 -0.226 0.000 1.155 442 P CA 1.616 64.515 63.100 -0.334 0.000 0.890 442 P CB 0.206 31.445 31.700 -0.769 0.000 0.790 443 D N -2.449 117.821 120.400 -0.217 0.000 2.355 443 D HA 0.038 4.678 4.640 -0.001 0.000 0.218 443 D C 1.495 177.731 176.300 -0.107 0.000 1.004 443 D CA 0.662 54.575 54.000 -0.144 0.000 0.880 443 D CB 0.080 40.799 40.800 -0.135 0.000 0.911 443 D HN 0.291 nan 8.370 nan 0.000 0.528 444 M N -0.654 118.880 119.600 -0.109 0.000 2.231 444 M HA 0.172 4.651 4.480 -0.001 0.000 0.347 444 M C -0.907 175.346 176.300 -0.078 0.000 0.901 444 M CA 0.244 55.490 55.300 -0.090 0.000 1.064 444 M CB 1.010 33.555 32.600 -0.092 0.000 1.861 444 M HN -0.250 nan 8.290 nan 0.000 0.638 445 M N 1.212 120.765 119.600 -0.078 0.000 2.378 445 M HA 0.347 4.827 4.480 -0.001 0.000 0.289 445 M C -0.893 175.373 176.300 -0.057 0.000 1.136 445 M CA -0.512 54.751 55.300 -0.063 0.000 0.917 445 M CB 2.557 35.113 32.600 -0.073 0.000 1.669 445 M HN -0.018 nan 8.290 nan 0.000 0.461 446 Q N 1.934 121.712 119.800 -0.036 0.000 2.315 446 Q HA -0.009 4.330 4.340 -0.001 0.000 0.289 446 Q C -0.761 175.208 176.000 -0.052 0.000 1.044 446 Q CA 0.629 56.415 55.803 -0.028 0.000 0.920 446 Q CB 0.568 29.302 28.738 -0.007 0.000 1.214 446 Q HN 0.363 nan 8.270 nan 0.000 0.392 447 D N 6.627 127.007 120.400 -0.034 0.000 2.348 447 D HA 0.096 4.736 4.640 -0.001 0.000 0.259 447 D C -2.192 174.067 176.300 -0.068 0.000 1.296 447 D CA -1.144 52.832 54.000 -0.040 0.000 0.931 447 D CB 0.230 41.056 40.800 0.044 0.000 1.067 447 D HN 0.302 nan 8.370 nan 0.000 0.503 448 P HA -0.154 nan 4.420 nan 0.000 0.263 448 P C 1.242 178.491 177.300 -0.085 0.000 1.162 448 P CA -0.120 62.846 63.100 -0.224 0.000 0.758 448 P CB 0.696 32.114 31.700 -0.470 0.000 0.773 449 V N 2.475 122.373 119.914 -0.027 0.000 2.445 449 V HA -0.434 3.686 4.120 -0.001 0.000 0.191 449 V C 2.188 178.350 176.094 0.114 0.000 0.905 449 V CA 3.099 65.423 62.300 0.040 0.000 1.297 449 V CB -2.429 29.419 31.823 0.041 0.000 0.958 449 V HN 0.861 nan 8.190 nan 0.000 0.491 450 T N -2.696 111.974 114.554 0.193 0.000 3.148 450 T HA 0.155 4.505 4.350 -0.001 0.000 0.253 450 T C 0.211 175.051 174.700 0.233 0.000 1.134 450 T CA 0.013 62.219 62.100 0.177 0.000 1.051 450 T CB -0.480 68.459 68.868 0.118 0.000 0.959 450 T HN 0.165 nan 8.240 nan 0.000 0.525 451 F N 2.656 122.605 119.950 -0.003 0.000 2.529 451 F HA 0.429 4.955 4.527 -0.001 0.000 0.365 451 F C 1.054 176.863 175.800 0.015 0.000 1.102 451 F CA -1.413 56.591 58.000 0.007 0.000 1.271 451 F CB 0.359 39.365 39.000 0.009 0.000 1.120 451 F HN 0.050 nan 8.300 nan 0.000 0.579 452 R N 1.240 121.818 120.500 0.130 0.000 2.459 452 R HA 0.380 4.720 4.340 -0.001 0.000 0.281 452 R C -0.232 176.145 176.300 0.128 0.000 1.050 452 R CA -0.397 55.757 56.100 0.091 0.000 1.055 452 R CB 1.024 31.342 30.300 0.031 0.000 1.045 452 R HN 0.673 nan 8.270 nan 0.000 0.495 453 S N 1.605 117.368 115.700 0.105 0.000 2.513 453 S HA 0.329 4.798 4.470 -0.001 0.000 0.276 453 S C -0.508 174.159 174.600 0.113 0.000 1.254 453 S CA -0.096 58.171 58.200 0.111 0.000 1.053 453 S CB 1.046 64.290 63.200 0.075 0.000 0.958 453 S HN 0.670 nan 8.310 nan 0.000 0.491 454 T N 1.523 116.177 114.554 0.166 0.000 2.645 454 T HA 0.523 4.873 4.350 -0.001 0.000 0.300 454 T C 0.115 174.971 174.700 0.260 0.000 1.210 454 T CA 0.085 62.283 62.100 0.164 0.000 1.034 454 T CB 0.798 69.740 68.868 0.123 0.000 1.537 454 T HN 0.671 nan 8.240 nan 0.000 0.492 455 S N -0.268 115.561 115.700 0.215 0.000 2.733 455 S HA 0.251 4.721 4.470 -0.001 0.000 0.247 455 S C 0.413 175.085 174.600 0.121 0.000 1.043 455 S CA -0.314 58.056 58.200 0.284 0.000 1.066 455 S CB -0.060 63.237 63.200 0.161 0.000 1.045 455 S HN 0.681 nan 8.310 nan 0.000 0.586 456 Q N 2.108 121.890 119.800 -0.030 0.000 2.402 456 Q HA 0.355 4.694 4.340 -0.001 0.000 0.238 456 Q C 0.773 176.438 176.000 -0.558 0.000 1.126 456 Q CA -0.251 55.442 55.803 -0.184 0.000 0.904 456 Q CB -0.030 28.645 28.738 -0.105 0.000 1.357 456 Q HN 0.462 nan 8.270 nan 0.000 0.491 457 I N 2.071 122.216 120.570 -0.708 0.000 2.227 457 I HA -0.403 3.767 4.170 -0.001 0.000 0.250 457 I C 1.625 177.294 176.117 -0.745 0.000 1.087 457 I CA 1.850 62.483 61.300 -1.112 0.000 1.352 457 I CB -0.322 37.437 38.000 -0.401 0.000 1.043 457 I HN 0.635 nan 8.210 nan 0.000 0.425 458 S N -0.757 114.721 115.700 -0.370 0.000 2.840 458 S HA 0.022 4.492 4.470 -0.001 0.000 0.235 458 S C 0.755 175.274 174.600 -0.135 0.000 0.968 458 S CA -0.002 58.090 58.200 -0.181 0.000 1.026 458 S CB -0.519 62.622 63.200 -0.097 0.000 0.788 458 S HN 0.623 nan 8.310 nan 0.000 0.487 459 N N -0.591 117.991 118.700 -0.197 0.000 2.036 459 N HA 0.174 4.913 4.740 -0.001 0.000 0.224 459 N C -0.925 174.639 175.510 0.090 0.000 1.381 459 N CA -0.248 52.770 53.050 -0.053 0.000 0.746 459 N CB 0.268 38.720 38.487 -0.058 0.000 1.213 459 N HN 0.132 nan 8.380 nan 0.000 0.524 460 F N 2.129 122.135 119.950 0.094 0.000 2.640 460 F HA 0.185 4.712 4.527 -0.000 0.000 0.329 460 F C -1.624 174.305 175.800 0.215 0.000 1.224 460 F CA -1.017 57.055 58.000 0.120 0.000 1.373 460 F CB -0.465 38.595 39.000 0.101 0.000 1.129 460 F HN -0.011 nan 8.300 nan 0.000 0.610 461 P HA 0.233 nan 4.420 nan 0.000 0.274 461 P C -1.119 176.319 177.300 0.230 0.000 1.231 461 P CA -0.189 63.200 63.100 0.481 0.000 0.790 461 P CB 0.885 32.699 31.700 0.190 0.000 0.951 462 V N 2.613 122.505 119.914 -0.037 0.000 2.459 462 V HA 0.180 4.299 4.120 -0.001 0.000 0.295 462 V C 1.194 177.134 176.094 -0.258 0.000 1.029 462 V CA -0.205 62.054 62.300 -0.067 0.000 0.874 462 V CB 1.631 33.444 31.823 -0.017 0.000 0.985 462 V HN 0.475 nan 8.190 nan 0.000 0.438 463 V N 1.015 120.868 119.914 -0.102 0.000 3.635 463 V HA 0.701 4.820 4.120 -0.001 0.000 0.266 463 V C 0.645 176.678 176.094 -0.101 0.000 1.316 463 V CA 0.771 62.989 62.300 -0.136 0.000 1.060 463 V CB 0.382 32.133 31.823 -0.120 0.000 0.820 463 V HN 0.920 nan 8.190 nan 0.000 0.447 464 G N -0.419 108.364 108.800 -0.029 0.000 2.759 464 G HA2 0.762 4.722 3.960 -0.001 0.000 0.297 464 G HA3 0.762 4.722 3.960 -0.001 0.000 0.297 464 G C -1.184 173.895 174.900 0.298 0.000 1.434 464 G CA -0.072 45.038 45.100 0.017 0.000 0.980 464 G HN 0.775 nan 8.290 nan 0.000 0.531 465 A N 0.892 123.941 122.820 0.383 0.000 2.356 465 A HA 0.988 5.308 4.320 -0.001 0.000 0.323 465 A C -0.355 177.509 177.584 0.467 0.000 1.119 465 A CA -0.581 51.748 52.037 0.486 0.000 0.790 465 A CB 2.021 21.276 19.000 0.425 0.000 1.273 465 A HN 1.120 nan 8.150 nan 0.000 0.452 466 E N 1.272 121.715 120.200 0.405 0.000 2.388 466 E HA 0.377 4.727 4.350 -0.001 0.000 0.282 466 E C -1.990 174.741 176.600 0.218 0.000 1.026 466 E CA -0.791 55.809 56.400 0.333 0.000 0.820 466 E CB 0.979 30.969 29.700 0.484 0.000 1.226 466 E HN 0.499 nan 8.360 nan 0.000 0.432 467 L N 3.066 124.394 121.223 0.175 0.000 2.455 467 L HA 0.148 4.487 4.340 -0.001 0.000 0.272 467 L C -0.191 176.754 176.870 0.125 0.000 1.174 467 L CA -0.119 54.799 54.840 0.130 0.000 0.869 467 L CB 0.675 42.808 42.059 0.123 0.000 1.130 467 L HN 0.577 nan 8.230 nan 0.000 0.474 468 L N 8.855 130.127 121.223 0.083 0.000 2.597 468 L HA 0.216 4.555 4.340 -0.001 0.000 0.271 468 L C -1.769 175.152 176.870 0.084 0.000 1.157 468 L CA -1.452 53.428 54.840 0.067 0.000 0.928 468 L CB -0.344 41.739 42.059 0.039 0.000 1.216 468 L HN 0.497 nan 8.230 nan 0.000 0.481 469 P HA -0.113 nan 4.420 nan 0.000 0.091 469 P C -1.233 176.059 177.300 -0.012 0.000 0.876 469 P CA 0.639 63.767 63.100 0.048 0.000 0.944 469 P CB -0.476 31.254 31.700 0.050 0.000 1.605 470 V N 0.565 120.526 119.914 0.080 0.000 2.668 470 V HA 0.347 4.467 4.120 -0.001 0.000 0.304 470 V C -0.022 176.260 176.094 0.312 0.000 1.071 470 V CA -0.724 61.621 62.300 0.075 0.000 0.894 470 V CB 1.883 33.729 31.823 0.038 0.000 1.008 470 V HN 0.294 nan 8.190 nan 0.000 0.425 471 H N 1.399 120.479 119.070 0.016 0.000 2.812 471 H HA 0.731 5.286 4.556 -0.001 0.000 0.355 471 H C -0.365 174.971 175.328 0.013 0.000 1.207 471 H CA -0.957 55.099 56.048 0.013 0.000 1.217 471 H CB 2.307 32.079 29.762 0.017 0.000 1.874 471 H HN 0.654 nan 8.280 nan 0.000 0.581 472 S N 1.583 117.368 115.700 0.142 0.000 2.566 472 S HA 0.289 4.758 4.470 -0.001 0.000 0.324 472 S C -0.437 174.202 174.600 0.065 0.000 1.081 472 S CA -1.077 57.175 58.200 0.086 0.000 1.105 472 S CB 1.235 64.461 63.200 0.044 0.000 0.981 472 S HN 0.344 nan 8.310 nan 0.000 0.464 473 K N 2.113 122.567 120.400 0.090 0.000 2.185 473 K HA 0.473 4.792 4.320 -0.001 0.000 0.271 473 K C -0.334 176.243 176.600 -0.038 0.000 1.013 473 K CA -0.192 56.085 56.287 -0.017 0.000 0.943 473 K CB 1.523 34.041 32.500 0.029 0.000 0.998 473 K HN 0.717 nan 8.250 nan 0.000 0.468 474 S N 2.391 117.918 115.700 -0.289 0.000 2.503 474 S HA 0.671 5.141 4.470 -0.001 0.000 0.301 474 S C -0.964 173.367 174.600 -0.448 0.000 1.087 474 S CA -0.671 57.434 58.200 -0.157 0.000 1.042 474 S CB 0.639 63.792 63.200 -0.079 0.000 1.043 474 S HN 0.336 nan 8.310 nan 0.000 0.489 475 F N 0.981 120.954 119.950 0.039 0.000 2.588 475 F HA 0.421 4.948 4.527 -0.001 0.000 0.314 475 F C -0.568 175.295 175.800 0.104 0.000 1.069 475 F CA -1.196 56.840 58.000 0.060 0.000 0.931 475 F CB 0.853 39.871 39.000 0.030 0.000 1.260 475 F HN 0.543 nan 8.300 nan 0.000 0.465 476 Y N 2.122 122.522 120.300 0.167 0.000 2.359 476 Y HA 0.344 4.894 4.550 -0.001 0.000 0.334 476 Y C -0.243 175.704 175.900 0.079 0.000 1.058 476 Y CA -0.999 57.153 58.100 0.086 0.000 1.244 476 Y CB 0.408 38.898 38.460 0.050 0.000 1.187 476 Y HN 0.534 nan 8.280 nan 0.000 0.510 477 N N 5.359 123.756 118.700 -0.504 0.000 2.437 477 N HA 0.110 4.850 4.740 -0.001 0.000 0.243 477 N C 0.223 175.320 175.510 -0.688 0.000 1.041 477 N CA -0.015 52.755 53.050 -0.466 0.000 0.940 477 N CB 0.530 38.886 38.487 -0.217 0.000 1.133 477 N HN 0.684 nan 8.380 nan 0.000 0.506 478 D N 1.296 121.414 120.400 -0.469 0.000 2.183 478 D HA -0.134 4.506 4.640 -0.001 0.000 0.205 478 D C 1.059 177.293 176.300 -0.109 0.000 0.962 478 D CA 0.632 54.453 54.000 -0.298 0.000 0.849 478 D CB 0.248 40.953 40.800 -0.158 0.000 0.978 478 D HN 0.662 nan 8.370 nan 0.000 0.488 479 Q N 0.793 120.545 119.800 -0.079 0.000 2.576 479 Q HA -0.103 4.237 4.340 -0.001 0.000 0.218 479 Q C 1.567 177.651 176.000 0.140 0.000 0.983 479 Q CA 0.457 56.324 55.803 0.106 0.000 0.920 479 Q CB 0.090 28.838 28.738 0.018 0.000 0.973 479 Q HN 0.134 nan 8.270 nan 0.000 0.528 480 A N -0.024 122.796 122.820 -0.001 0.000 1.845 480 A HA -0.159 4.160 4.320 -0.001 0.000 0.215 480 A C 1.977 179.564 177.584 0.005 0.000 1.195 480 A CA 1.715 53.739 52.037 -0.022 0.000 0.616 480 A CB -0.844 18.114 19.000 -0.070 0.000 0.832 480 A HN 0.384 nan 8.150 nan 0.000 0.443 481 V N -1.140 118.787 119.914 0.022 0.000 2.685 481 V HA -0.067 4.053 4.120 -0.001 0.000 0.244 481 V C 2.258 178.344 176.094 -0.014 0.000 1.054 481 V CA 1.581 63.885 62.300 0.007 0.000 1.076 481 V CB -0.727 31.111 31.823 0.025 0.000 0.725 481 V HN 0.713 nan 8.190 nan 0.000 0.467 482 Y N 2.444 122.736 120.300 -0.015 0.000 2.172 482 Y HA -0.348 4.202 4.550 -0.001 0.000 0.280 482 Y C 2.430 178.335 175.900 0.008 0.000 1.209 482 Y CA 2.580 60.677 58.100 -0.006 0.000 1.171 482 Y CB -1.037 37.410 38.460 -0.021 0.000 0.965 482 Y HN 0.450 nan 8.280 nan 0.000 0.520 483 S N -0.652 114.497 115.700 -0.917 0.000 2.489 483 S HA -0.163 4.307 4.470 -0.001 0.000 0.228 483 S C 1.847 176.231 174.600 -0.361 0.000 0.995 483 S CA 0.742 58.430 58.200 -0.854 0.000 0.934 483 S CB -0.456 62.480 63.200 -0.439 0.000 0.771 483 S HN 0.781 nan 8.310 nan 0.000 0.522 484 Q N 0.590 120.265 119.800 -0.209 0.000 2.472 484 Q HA 0.222 4.561 4.340 -0.001 0.000 0.208 484 Q C 0.556 176.532 176.000 -0.040 0.000 0.958 484 Q CA 0.500 56.249 55.803 -0.090 0.000 0.932 484 Q CB -0.042 28.670 28.738 -0.043 0.000 1.007 484 Q HN 0.601 nan 8.270 nan 0.000 0.508 485 L N 0.741 121.929 121.223 -0.058 0.000 3.141 485 L HA 0.341 4.681 4.340 -0.001 0.000 0.263 485 L C 0.537 177.471 176.870 0.108 0.000 1.312 485 L CA -0.020 54.876 54.840 0.093 0.000 1.012 485 L CB 0.501 42.608 42.059 0.079 0.000 1.408 485 L HN 0.225 nan 8.230 nan 0.000 0.559 486 I N -0.770 119.832 120.570 0.054 0.000 5.285 486 I HA -0.040 4.130 4.170 -0.001 0.000 0.351 486 I C 1.869 178.025 176.117 0.065 0.000 1.206 486 I CA 0.236 61.567 61.300 0.052 0.000 1.527 486 I CB 0.618 38.550 38.000 -0.113 0.000 1.694 486 I HN 0.322 nan 8.210 nan 0.000 0.585 487 R N 1.136 121.636 120.500 0.000 0.000 2.362 487 R HA 0.144 4.483 4.340 -0.001 0.000 0.227 487 R C 1.545 177.833 176.300 -0.020 0.000 0.905 487 R CA 0.282 56.373 56.100 -0.015 0.000 1.067 487 R CB 0.023 30.294 30.300 -0.047 0.000 1.078 487 R HN 0.297 nan 8.270 nan 0.000 0.516 488 Q N 0.388 120.175 119.800 -0.022 0.000 2.402 488 Q HA 0.117 4.456 4.340 -0.001 0.000 0.206 488 Q C -0.629 175.151 176.000 -0.365 0.000 0.919 488 Q CA 0.378 56.081 55.803 -0.167 0.000 0.923 488 Q CB 0.403 29.038 28.738 -0.171 0.000 1.048 488 Q HN 0.311 nan 8.270 nan 0.000 0.515 489 F N 1.406 121.340 119.950 -0.028 0.000 2.366 489 F HA 0.285 4.811 4.527 -0.001 0.000 0.357 489 F C -0.177 175.611 175.800 -0.019 0.000 1.107 489 F CA -0.708 57.281 58.000 -0.018 0.000 1.208 489 F CB 0.966 39.956 39.000 -0.016 0.000 1.464 489 F HN -0.231 nan 8.300 nan 0.000 0.501 490 T N 1.924 116.512 114.554 0.056 0.000 2.828 490 T HA 0.214 4.564 4.350 -0.001 0.000 0.282 490 T C 0.234 174.966 174.700 0.053 0.000 1.031 490 T CA 0.746 62.868 62.100 0.037 0.000 1.136 490 T CB 0.075 68.951 68.868 0.013 0.000 1.057 490 T HN 0.705 nan 8.240 nan 0.000 0.499 491 S N 1.603 117.321 115.700 0.030 0.000 2.643 491 S HA 0.482 4.952 4.470 -0.001 0.000 0.266 491 S C -0.416 174.190 174.600 0.010 0.000 1.130 491 S CA -1.401 56.815 58.200 0.027 0.000 0.817 491 S CB 0.442 63.664 63.200 0.037 0.000 1.107 491 S HN 0.575 nan 8.310 nan 0.000 0.471 492 L N 0.861 122.093 121.223 0.015 0.000 2.476 492 L HA 0.128 4.468 4.340 -0.001 0.000 0.309 492 L C 0.604 177.471 176.870 -0.005 0.000 1.330 492 L CA 0.445 55.294 54.840 0.014 0.000 0.827 492 L CB -0.331 41.750 42.059 0.036 0.000 1.044 492 L HN 0.872 nan 8.230 nan 0.000 0.599 493 T N -1.898 112.661 114.554 0.008 0.000 2.906 493 T HA 0.407 4.757 4.350 -0.001 0.000 0.295 493 T C -0.688 174.072 174.700 0.099 0.000 1.075 493 T CA -0.751 61.343 62.100 -0.010 0.000 1.005 493 T CB 1.408 70.257 68.868 -0.032 0.000 1.136 493 T HN 0.434 nan 8.240 nan 0.000 0.498 494 H N -0.112 118.939 119.070 -0.031 0.000 2.508 494 H HA 0.307 4.862 4.556 -0.001 0.000 0.344 494 H C 1.494 176.708 175.328 -0.190 0.000 1.192 494 H CA -0.985 55.000 56.048 -0.105 0.000 1.290 494 H CB 1.292 31.043 29.762 -0.019 0.000 1.571 494 H HN 0.416 nan 8.280 nan 0.000 0.555 495 V N -0.752 119.000 119.914 -0.270 0.000 3.330 495 V HA -0.157 3.963 4.120 -0.001 0.000 0.273 495 V C 0.965 176.922 176.094 -0.228 0.000 1.179 495 V CA 1.426 63.539 62.300 -0.313 0.000 1.174 495 V CB -1.289 30.265 31.823 -0.449 0.000 0.794 495 V HN 0.613 nan 8.190 nan 0.000 0.527 496 F N -0.143 119.876 119.950 0.115 0.000 2.505 496 F HA 0.339 4.866 4.527 -0.001 0.000 0.289 496 F C 1.595 177.456 175.800 0.102 0.000 1.101 496 F CA 0.291 58.357 58.000 0.109 0.000 1.446 496 F CB 0.114 39.189 39.000 0.125 0.000 1.123 496 F HN 0.234 nan 8.300 nan 0.000 0.564 497 N N 0.741 119.578 118.700 0.228 0.000 3.025 497 N HA 0.141 4.881 4.740 -0.001 0.000 0.315 497 N C 0.504 176.016 175.510 0.003 0.000 1.511 497 N CA -0.058 53.076 53.050 0.140 0.000 1.097 497 N CB -0.073 38.466 38.487 0.087 0.000 1.395 497 N HN 0.045 nan 8.380 nan 0.000 0.511 498 R N -0.070 120.356 120.500 -0.124 0.000 2.346 498 R HA 0.053 4.393 4.340 -0.001 0.000 0.199 498 R C -0.328 175.341 176.300 -1.051 0.000 1.015 498 R CA 0.746 56.483 56.100 -0.606 0.000 1.058 498 R CB -0.007 29.780 30.300 -0.854 0.000 0.921 498 R HN 0.266 nan 8.270 nan 0.000 0.475 499 F N -1.893 118.091 119.950 0.056 0.000 2.505 499 F HA 0.295 4.822 4.527 -0.001 0.000 0.383 499 F C -1.943 173.897 175.800 0.067 0.000 1.509 499 F CA -2.047 55.988 58.000 0.058 0.000 1.101 499 F CB 1.128 40.158 39.000 0.049 0.000 1.367 499 F HN -0.185 nan 8.300 nan 0.000 0.523 500 P HA -0.252 nan 4.420 nan 0.000 0.219 500 P C 0.939 178.317 177.300 0.130 0.000 1.161 500 P CA 1.762 64.926 63.100 0.106 0.000 0.909 500 P CB 0.110 31.838 31.700 0.046 0.000 0.793 501 E N -0.814 119.467 120.200 0.134 0.000 2.392 501 E HA -0.001 4.349 4.350 -0.001 0.000 0.307 501 E C 0.288 177.013 176.600 0.208 0.000 1.505 501 E CA 0.093 56.578 56.400 0.141 0.000 1.716 501 E CB -1.379 28.384 29.700 0.105 0.000 1.450 501 E HN 0.304 nan 8.360 nan 0.000 0.484 502 N N 0.909 119.751 118.700 0.236 0.000 2.075 502 N HA -0.079 4.661 4.740 -0.001 0.000 0.226 502 N C 0.147 175.822 175.510 0.275 0.000 1.343 502 N CA 0.018 53.240 53.050 0.287 0.000 0.881 502 N CB 0.331 38.967 38.487 0.247 0.000 1.100 502 N HN 0.026 nan 8.380 nan 0.000 0.495 503 Q N 0.061 120.018 119.800 0.262 0.000 2.264 503 Q HA -0.201 4.139 4.340 -0.001 0.000 0.207 503 Q C 0.794 177.001 176.000 0.346 0.000 0.702 503 Q CA 1.557 57.560 55.803 0.333 0.000 1.411 503 Q CB -1.248 27.730 28.738 0.400 0.000 1.717 503 Q HN 0.615 nan 8.270 nan 0.000 0.683 504 I N -1.883 118.775 120.570 0.146 0.000 4.079 504 I HA -0.020 4.150 4.170 -0.001 0.000 0.276 504 I C 1.240 177.325 176.117 -0.052 0.000 1.146 504 I CA -0.081 61.216 61.300 -0.006 0.000 1.324 504 I CB 0.212 38.107 38.000 -0.174 0.000 1.638 504 I HN -0.041 nan 8.210 nan 0.000 0.436 505 L N 1.712 122.896 121.223 -0.067 0.000 2.645 505 L HA 0.225 4.564 4.340 -0.001 0.000 0.235 505 L C 1.552 178.481 176.870 0.099 0.000 1.150 505 L CA -0.149 54.613 54.840 -0.131 0.000 0.911 505 L CB -0.860 40.934 42.059 -0.442 0.000 1.077 505 L HN 0.189 nan 8.230 nan 0.000 0.438 506 A N 1.198 124.104 122.820 0.144 0.000 2.464 506 A HA 0.029 4.349 4.320 -0.001 0.000 0.274 506 A C 0.850 178.535 177.584 0.167 0.000 1.633 506 A CA 0.423 52.569 52.037 0.182 0.000 1.015 506 A CB 0.035 19.134 19.000 0.166 0.000 1.454 506 A HN 0.395 nan 8.150 nan 0.000 0.665 507 R N -0.260 120.319 120.500 0.131 0.000 2.451 507 R HA 0.417 4.757 4.340 -0.001 0.000 0.307 507 R C -2.974 173.365 176.300 0.066 0.000 0.965 507 R CA -1.916 54.248 56.100 0.107 0.000 0.865 507 R CB 1.218 31.581 30.300 0.104 0.000 1.174 507 R HN 0.353 nan 8.270 nan 0.000 0.455 508 P HA -0.008 nan 4.420 nan 0.000 0.263 508 P C -2.498 174.796 177.300 -0.010 0.000 1.168 508 P CA -0.512 62.602 63.100 0.023 0.000 0.759 508 P CB 0.139 31.851 31.700 0.019 0.000 0.782 509 P HA 0.087 nan 4.420 nan 0.000 0.268 509 P C -0.569 176.696 177.300 -0.059 0.000 1.204 509 P CA 0.137 63.212 63.100 -0.041 0.000 0.768 509 P CB 0.427 32.094 31.700 -0.054 0.000 0.842 510 A N 5.828 128.616 122.820 -0.053 0.000 2.451 510 A HA 0.359 4.679 4.320 -0.001 0.000 0.266 510 A C -1.874 175.663 177.584 -0.077 0.000 1.119 510 A CA -1.076 50.924 52.037 -0.061 0.000 0.786 510 A CB -0.822 18.154 19.000 -0.039 0.000 1.061 510 A HN 0.406 nan 8.150 nan 0.000 0.503 511 P HA 0.201 nan 4.420 nan 0.000 0.275 511 P C -0.031 177.227 177.300 -0.071 0.000 1.228 511 P CA -0.055 62.986 63.100 -0.098 0.000 0.786 511 P CB 0.672 32.313 31.700 -0.099 0.000 0.927 512 T N -0.180 114.339 114.554 -0.058 0.000 2.919 512 T HA 0.354 4.704 4.350 -0.001 0.000 0.302 512 T C 0.519 175.248 174.700 0.048 0.000 1.031 512 T CA -0.427 61.666 62.100 -0.012 0.000 1.127 512 T CB -0.374 68.559 68.868 0.109 0.000 0.952 512 T HN 0.323 nan 8.240 nan 0.000 0.540 513 I N 1.105 121.732 120.570 0.095 0.000 6.786 513 I HA -0.167 4.002 4.170 -0.001 0.000 0.126 513 I C 0.778 176.940 176.117 0.074 0.000 1.830 513 I CA 0.636 62.011 61.300 0.125 0.000 2.037 513 I CB -2.117 35.947 38.000 0.108 0.000 3.544 513 I HN 1.119 nan 8.210 nan 0.000 0.169 514 T N 1.047 115.660 114.554 0.098 0.000 2.934 514 T HA 0.919 5.269 4.350 -0.001 0.000 0.283 514 T C 0.365 175.155 174.700 0.150 0.000 1.005 514 T CA -0.158 61.986 62.100 0.072 0.000 1.041 514 T CB 1.995 70.881 68.868 0.031 0.000 1.042 514 T HN 0.635 nan 8.240 nan 0.000 0.505 515 T N -1.386 113.228 114.554 0.101 0.000 2.932 515 T HA 0.728 5.078 4.350 -0.001 0.000 0.289 515 T C -0.798 173.976 174.700 0.123 0.000 1.039 515 T CA -0.834 61.345 62.100 0.133 0.000 1.024 515 T CB 1.487 70.390 68.868 0.059 0.000 1.090 515 T HN 0.614 nan 8.240 nan 0.000 0.496 516 V N 1.304 121.318 119.914 0.166 0.000 2.668 516 V HA 0.510 4.630 4.120 -0.001 0.000 0.304 516 V C 0.235 176.385 176.094 0.093 0.000 1.071 516 V CA -1.023 61.343 62.300 0.110 0.000 0.894 516 V CB 1.959 33.843 31.823 0.102 0.000 1.008 516 V HN 1.152 nan 8.190 nan 0.000 0.425 517 S N 3.737 119.459 115.700 0.037 0.000 2.525 517 S HA 0.202 4.672 4.470 -0.001 0.000 0.285 517 S C -0.277 174.336 174.600 0.021 0.000 1.283 517 S CA 0.179 58.390 58.200 0.019 0.000 1.072 517 S CB 0.154 63.336 63.200 -0.030 0.000 0.867 517 S HN 0.838 nan 8.310 nan 0.000 0.492 518 E N 4.085 124.308 120.200 0.038 0.000 2.256 518 E HA 0.268 4.617 4.350 -0.001 0.000 0.268 518 E C -0.944 175.648 176.600 -0.013 0.000 0.877 518 E CA -0.770 55.646 56.400 0.027 0.000 0.757 518 E CB 0.851 30.593 29.700 0.070 0.000 1.183 518 E HN 0.675 nan 8.360 nan 0.000 0.418 519 N N 2.261 120.944 118.700 -0.029 0.000 2.518 519 N HA 0.347 5.086 4.740 -0.001 0.000 0.283 519 N C -1.416 174.094 175.510 -0.001 0.000 1.119 519 N CA -0.065 52.954 53.050 -0.052 0.000 0.983 519 N CB 1.882 40.313 38.487 -0.093 0.000 1.139 519 N HN 0.247 nan 8.380 nan 0.000 0.465 520 V N 3.856 123.764 119.914 -0.009 0.000 2.932 520 V HA 0.459 4.579 4.120 -0.001 0.000 0.307 520 V C -2.433 173.769 176.094 0.180 0.000 1.147 520 V CA -1.877 60.452 62.300 0.049 0.000 0.951 520 V CB 2.667 34.393 31.823 -0.161 0.000 1.031 520 V HN 0.550 nan 8.190 nan 0.000 0.426 521 P HA 0.302 nan 4.420 nan 0.000 0.271 521 P C -1.014 176.340 177.300 0.091 0.000 1.216 521 P CA -0.108 63.083 63.100 0.152 0.000 0.771 521 P CB 1.345 32.961 31.700 -0.141 0.000 0.864 522 A N 5.109 128.007 122.820 0.129 0.000 2.328 522 A HA 0.398 4.718 4.320 -0.001 0.000 0.318 522 A C 0.215 177.864 177.584 0.108 0.000 1.347 522 A CA -0.749 51.356 52.037 0.113 0.000 0.842 522 A CB -0.022 19.066 19.000 0.147 0.000 1.148 522 A HN 0.519 nan 8.150 nan 0.000 0.499 523 L N 3.315 124.576 121.223 0.063 0.000 2.395 523 L HA 0.170 4.510 4.340 -0.001 0.000 0.268 523 L C 1.074 177.952 176.870 0.014 0.000 1.223 523 L CA -0.089 54.774 54.840 0.038 0.000 1.093 523 L CB -0.033 42.036 42.059 0.018 0.000 1.349 523 L HN 0.773 nan 8.230 nan 0.000 0.427 524 T N 0.532 115.092 114.554 0.009 0.000 2.814 524 T HA 0.209 4.559 4.350 -0.001 0.000 0.284 524 T C -0.600 173.973 174.700 -0.212 0.000 0.998 524 T CA -0.394 61.655 62.100 -0.084 0.000 0.935 524 T CB 1.246 70.071 68.868 -0.072 0.000 1.167 524 T HN 0.549 nan 8.240 nan 0.000 0.545 525 D N 0.612 120.790 120.400 -0.370 0.000 2.452 525 D HA 0.155 4.795 4.640 -0.001 0.000 0.226 525 D C -0.890 175.141 176.300 -0.448 0.000 1.366 525 D CA -0.425 53.363 54.000 -0.354 0.000 0.986 525 D CB 0.483 41.187 40.800 -0.159 0.000 1.420 525 D HN 0.619 nan 8.370 nan 0.000 0.583 526 H N 1.213 120.229 119.070 -0.091 0.000 2.544 526 H HA 0.432 4.988 4.556 -0.001 0.000 0.365 526 H C 1.322 176.613 175.328 -0.063 0.000 1.268 526 H CA -0.076 55.929 56.048 -0.072 0.000 1.400 526 H CB 0.762 30.450 29.762 -0.123 0.000 1.538 526 H HN 0.476 nan 8.280 nan 0.000 0.597 527 G N -0.349 108.488 108.800 0.062 0.000 2.394 527 G HA2 0.019 3.978 3.960 -0.001 0.000 0.256 527 G HA3 0.019 3.978 3.960 -0.001 0.000 0.256 527 G C -0.105 174.798 174.900 0.006 0.000 1.504 527 G CA 0.205 45.315 45.100 0.016 0.000 1.051 527 G HN 0.584 nan 8.290 nan 0.000 0.550 528 T N -0.331 114.221 114.554 -0.003 0.000 2.786 528 T HA 0.604 4.953 4.350 -0.001 0.000 0.283 528 T C -0.319 174.375 174.700 -0.010 0.000 0.992 528 T CA -0.721 61.375 62.100 -0.006 0.000 0.954 528 T CB 0.297 69.163 68.868 -0.003 0.000 0.934 528 T HN 0.329 nan 8.240 nan 0.000 0.440 529 L N 5.510 126.724 121.223 -0.014 0.000 2.322 529 L HA 0.635 4.974 4.340 -0.001 0.000 0.269 529 L C -2.366 174.502 176.870 -0.003 0.000 1.012 529 L CA -2.932 51.895 54.840 -0.023 0.000 0.815 529 L CB 2.127 44.158 42.059 -0.046 0.000 1.295 529 L HN 0.452 nan 8.230 nan 0.000 0.438 530 P HA 0.358 nan 4.420 nan 0.000 0.280 530 P C -1.387 175.927 177.300 0.025 0.000 1.244 530 P CA -0.362 62.753 63.100 0.025 0.000 0.784 530 P CB 0.977 32.679 31.700 0.004 0.000 0.913 531 L N 0.507 121.768 121.223 0.063 0.000 2.327 531 L HA 0.689 5.029 4.340 -0.001 0.000 0.258 531 L C 0.043 176.941 176.870 0.046 0.000 1.024 531 L CA -1.277 53.580 54.840 0.029 0.000 0.825 531 L CB 0.846 42.904 42.059 -0.002 0.000 1.386 531 L HN 0.149 nan 8.230 nan 0.000 0.417 532 R N 0.325 120.827 120.500 0.003 0.000 2.738 532 R HA 0.234 4.574 4.340 -0.001 0.000 0.268 532 R C -0.394 175.888 176.300 -0.030 0.000 1.062 532 R CA -0.219 55.881 56.100 0.000 0.000 1.158 532 R CB 0.010 30.295 30.300 -0.025 0.000 1.046 532 R HN 0.749 nan 8.270 nan 0.000 0.493 533 N N -0.627 118.056 118.700 -0.028 0.000 2.268 533 N HA -0.013 4.727 4.740 -0.001 0.000 0.204 533 N C -0.884 174.554 175.510 -0.120 0.000 1.124 533 N CA -0.172 52.820 53.050 -0.096 0.000 0.838 533 N CB 0.784 39.260 38.487 -0.018 0.000 0.994 533 N HN 0.441 nan 8.380 nan 0.000 0.489 534 S N 0.097 115.742 115.700 -0.091 0.000 2.279 534 S HA 0.397 4.867 4.470 -0.001 0.000 0.176 534 S C -0.382 174.170 174.600 -0.080 0.000 1.554 534 S CA -0.765 57.384 58.200 -0.084 0.000 1.242 534 S CB -0.023 63.141 63.200 -0.060 0.000 1.163 534 S HN 0.087 nan 8.310 nan 0.000 0.449 535 I N 2.742 123.255 120.570 -0.096 0.000 2.436 535 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 535 I C 1.283 177.363 176.117 -0.062 0.000 1.083 535 I CA -0.253 60.996 61.300 -0.084 0.000 1.372 535 I CB 0.410 38.347 38.000 -0.104 0.000 1.408 535 I HN 0.734 nan 8.210 nan 0.000 0.516 536 G N 4.092 112.859 108.800 -0.056 0.000 2.491 536 G HA2 0.179 4.139 3.960 -0.001 0.000 0.238 536 G HA3 0.179 4.139 3.960 -0.001 0.000 0.238 536 G C 1.124 176.006 174.900 -0.030 0.000 1.277 536 G CA -0.052 45.023 45.100 -0.043 0.000 0.851 536 G HN 0.905 nan 8.290 nan 0.000 0.573 537 G N -0.081 108.707 108.800 -0.019 0.000 2.475 537 G HA2 0.038 3.998 3.960 -0.001 0.000 0.220 537 G HA3 0.038 3.998 3.960 -0.001 0.000 0.220 537 G C 0.765 175.665 174.900 -0.000 0.000 1.125 537 G CA 1.514 46.612 45.100 -0.002 0.000 0.755 537 G HN 1.457 nan 8.290 nan 0.000 0.565 538 V N -2.365 117.544 119.914 -0.009 0.000 2.407 538 V HA 0.623 4.743 4.120 -0.001 0.000 0.291 538 V C -1.031 175.045 176.094 -0.031 0.000 1.018 538 V CA -1.368 60.928 62.300 -0.006 0.000 0.842 538 V CB 1.672 33.499 31.823 0.006 0.000 0.996 538 V HN 0.001 nan 8.190 nan 0.000 0.426 539 Q N 3.095 122.870 119.800 -0.043 0.000 2.205 539 Q HA 0.586 4.925 4.340 -0.001 0.000 0.249 539 Q C -0.511 175.418 176.000 -0.117 0.000 0.948 539 Q CA -0.505 55.249 55.803 -0.081 0.000 0.895 539 Q CB 2.611 31.300 28.738 -0.081 0.000 1.249 539 Q HN 0.936 nan 8.270 nan 0.000 0.458 540 R N 0.290 120.694 120.500 -0.160 0.000 2.437 540 R HA 0.567 4.906 4.340 -0.001 0.000 0.310 540 R C -1.313 174.831 176.300 -0.260 0.000 0.955 540 R CA -0.383 55.595 56.100 -0.203 0.000 0.851 540 R CB 1.043 31.249 30.300 -0.156 0.000 1.161 540 R HN 0.349 nan 8.270 nan 0.000 0.446 541 V N 3.197 122.850 119.914 -0.436 0.000 2.612 541 V HA 0.574 4.694 4.120 -0.001 0.000 0.301 541 V C -0.309 175.672 176.094 -0.189 0.000 1.046 541 V CA -0.452 61.626 62.300 -0.369 0.000 0.946 541 V CB 2.065 33.456 31.823 -0.720 0.000 1.003 541 V HN 0.880 nan 8.190 nan 0.000 0.459 542 T N 4.922 119.496 114.554 0.032 0.000 3.483 542 T HA 0.486 4.836 4.350 -0.001 0.000 0.329 542 T C -0.775 173.970 174.700 0.074 0.000 1.014 542 T CA -0.209 61.962 62.100 0.118 0.000 1.056 542 T CB 0.724 69.754 68.868 0.271 0.000 1.090 542 T HN 0.385 nan 8.240 nan 0.000 0.460 543 I N 3.286 123.837 120.570 -0.031 0.000 2.359 543 I HA 0.521 4.691 4.170 -0.001 0.000 0.294 543 I C 0.335 176.422 176.117 -0.051 0.000 0.987 543 I CA -0.460 60.718 61.300 -0.203 0.000 1.225 543 I CB 1.797 39.553 38.000 -0.407 0.000 1.366 543 I HN 0.512 nan 8.210 nan 0.000 0.466 544 T N 3.496 118.038 114.554 -0.020 0.000 2.916 544 T HA 0.337 4.686 4.350 -0.001 0.000 0.292 544 T C -0.748 173.920 174.700 -0.054 0.000 1.064 544 T CA -0.781 61.342 62.100 0.037 0.000 1.011 544 T CB 2.118 71.070 68.868 0.141 0.000 1.152 544 T HN 0.659 nan 8.240 nan 0.000 0.510 545 D N 0.027 120.406 120.400 -0.036 0.000 2.442 545 D HA 0.495 5.135 4.640 -0.001 0.000 0.254 545 D C 1.480 177.655 176.300 -0.208 0.000 1.069 545 D CA -0.591 53.337 54.000 -0.121 0.000 1.017 545 D CB 1.183 42.001 40.800 0.030 0.000 1.172 545 D HN 0.510 nan 8.370 nan 0.000 0.561 546 A N 0.756 123.431 122.820 -0.242 0.000 1.940 546 A HA -0.269 4.051 4.320 -0.001 0.000 0.221 546 A C 2.145 179.724 177.584 -0.009 0.000 1.190 546 A CA 1.649 53.587 52.037 -0.165 0.000 0.647 546 A CB -0.652 18.303 19.000 -0.076 0.000 0.821 546 A HN 0.636 nan 8.150 nan 0.000 0.457 547 R N -2.137 118.358 120.500 -0.008 0.000 2.275 547 R HA 0.040 4.379 4.340 -0.001 0.000 0.199 547 R C -0.379 175.940 176.300 0.033 0.000 0.989 547 R CA 0.186 56.294 56.100 0.014 0.000 1.016 547 R CB 0.145 30.440 30.300 -0.008 0.000 0.918 547 R HN 0.356 nan 8.270 nan 0.000 0.473 548 R N 0.791 121.319 120.500 0.046 0.000 2.534 548 R HA -0.115 4.225 4.340 -0.001 0.000 0.330 548 R C -1.017 175.310 176.300 0.045 0.000 1.000 548 R CA 0.592 56.734 56.100 0.070 0.000 0.702 548 R CB -1.647 28.699 30.300 0.077 0.000 2.044 548 R HN 0.575 nan 8.270 nan 0.000 0.463 549 R N -2.183 118.355 120.500 0.064 0.000 2.687 549 R HA 0.369 4.709 4.340 -0.001 0.000 0.265 549 R C -0.153 176.224 176.300 0.129 0.000 1.048 549 R CA -0.589 55.561 56.100 0.082 0.000 0.884 549 R CB 0.548 30.899 30.300 0.084 0.000 1.258 549 R HN 0.247 nan 8.270 nan 0.000 0.469 550 T N -1.654 112.969 114.554 0.116 0.000 2.724 550 T HA 0.117 4.466 4.350 -0.001 0.000 0.324 550 T C 0.174 174.962 174.700 0.147 0.000 1.071 550 T CA -0.298 61.861 62.100 0.098 0.000 1.061 550 T CB 0.851 69.755 68.868 0.060 0.000 0.990 550 T HN 0.692 nan 8.240 nan 0.000 0.543 551 C N 4.507 123.832 119.300 0.041 0.000 2.437 551 C HA 0.540 5.000 4.460 -0.001 0.000 0.307 551 C C -1.409 173.440 174.990 -0.234 0.000 1.093 551 C CA -1.739 57.246 59.018 -0.055 0.000 1.463 551 C CB 0.013 27.782 27.740 0.048 0.000 1.926 551 C HN 0.787 nan 8.230 nan 0.000 0.420 552 P HA -0.185 nan 4.420 nan 0.000 0.218 552 P C 0.223 177.193 177.300 -0.550 0.000 1.152 552 P CA 1.736 64.490 63.100 -0.577 0.000 0.857 552 P CB -0.107 31.059 31.700 -0.889 0.000 0.787 553 Y N -1.558 118.571 120.300 -0.286 0.000 2.550 553 Y HA 0.136 4.685 4.550 -0.001 0.000 0.351 553 Y C 0.539 176.376 175.900 -0.106 0.000 1.160 553 Y CA -0.413 57.576 58.100 -0.184 0.000 1.337 553 Y CB -0.692 37.648 38.460 -0.200 0.000 1.196 553 Y HN -0.247 nan 8.280 nan 0.000 0.498 554 V N 0.655 120.574 119.914 0.009 0.000 2.347 554 V HA 0.012 4.131 4.120 -0.001 0.000 0.280 554 V C 0.359 176.533 176.094 0.132 0.000 1.021 554 V CA -0.782 61.544 62.300 0.043 0.000 0.847 554 V CB 0.725 32.557 31.823 0.015 0.000 0.990 554 V HN 0.344 nan 8.190 nan 0.000 0.444 555 Y N 5.112 125.403 120.300 -0.016 0.000 2.347 555 Y HA 0.344 4.894 4.550 -0.000 0.000 0.294 555 Y C 0.878 176.661 175.900 -0.194 0.000 1.117 555 Y CA 0.594 58.710 58.100 0.027 0.000 1.184 555 Y CB 0.388 38.856 38.460 0.013 0.000 1.047 555 Y HN 0.510 nan 8.280 nan 0.000 0.546 556 K N 0.479 120.647 120.400 -0.387 0.000 2.550 556 K HA 0.664 4.983 4.320 -0.001 0.000 0.252 556 K C -1.918 174.570 176.600 -0.187 0.000 0.943 556 K CA -0.480 55.469 56.287 -0.563 0.000 0.806 556 K CB 1.619 33.733 32.500 -0.643 0.000 1.289 556 K HN 0.062 nan 8.250 nan 0.000 0.435 557 A N 4.564 127.287 122.820 -0.161 0.000 2.355 557 A HA 0.800 5.120 4.320 -0.001 0.000 0.317 557 A C -1.515 176.198 177.584 0.214 0.000 1.094 557 A CA -0.714 51.434 52.037 0.185 0.000 0.764 557 A CB 0.907 20.098 19.000 0.319 0.000 1.230 557 A HN 0.628 nan 8.150 nan 0.000 0.448 558 L N 2.010 123.409 121.223 0.292 0.000 2.464 558 L HA 0.676 5.015 4.340 -0.001 0.000 0.266 558 L C 0.037 176.990 176.870 0.139 0.000 0.965 558 L CA -0.518 54.433 54.840 0.185 0.000 0.833 558 L CB 2.493 44.608 42.059 0.093 0.000 1.296 558 L HN 0.922 nan 8.230 nan 0.000 0.405 559 G N 4.185 113.055 108.800 0.117 0.000 2.566 559 G HA2 0.744 4.704 3.960 -0.001 0.000 0.311 559 G HA3 0.744 4.704 3.960 -0.001 0.000 0.311 559 G C -1.222 173.692 174.900 0.023 0.000 1.322 559 G CA -0.350 44.751 45.100 0.003 0.000 0.969 559 G HN 0.413 nan 8.290 nan 0.000 0.490 560 I N 1.851 122.401 120.570 -0.033 0.000 2.436 560 I HA 0.373 4.543 4.170 -0.001 0.000 0.289 560 I C -0.605 175.433 176.117 -0.131 0.000 1.010 560 I CA -0.977 60.280 61.300 -0.072 0.000 1.098 560 I CB 2.298 40.283 38.000 -0.025 0.000 1.266 560 I HN 0.065 nan 8.210 nan 0.000 0.434 561 V N 4.512 124.312 119.914 -0.190 0.000 2.555 561 V HA 0.424 4.544 4.120 -0.001 0.000 0.302 561 V C -0.171 175.820 176.094 -0.170 0.000 1.038 561 V CA -0.498 61.710 62.300 -0.154 0.000 0.887 561 V CB 2.093 33.834 31.823 -0.135 0.000 0.991 561 V HN 0.784 nan 8.190 nan 0.000 0.434 562 S N 5.765 121.402 115.700 -0.106 0.000 2.406 562 S HA 0.388 4.858 4.470 -0.001 0.000 0.224 562 S C -2.561 172.031 174.600 -0.013 0.000 1.426 562 S CA -1.104 57.051 58.200 -0.076 0.000 1.179 562 S CB 0.879 64.047 63.200 -0.052 0.000 1.042 562 S HN 0.649 nan 8.310 nan 0.000 0.479 563 P HA 0.273 nan 4.420 nan 0.000 0.272 563 P C -0.578 176.881 177.300 0.265 0.000 1.223 563 P CA -0.337 62.825 63.100 0.103 0.000 0.784 563 P CB 0.580 32.259 31.700 -0.035 0.000 0.923 564 R N 0.160 120.919 120.500 0.430 0.000 2.604 564 R HA 0.446 4.785 4.340 -0.001 0.000 0.261 564 R C -1.230 175.101 176.300 0.053 0.000 1.080 564 R CA -1.093 55.200 56.100 0.321 0.000 0.917 564 R CB 0.601 30.974 30.300 0.121 0.000 1.252 564 R HN 0.212 nan 8.270 nan 0.000 0.456 565 V N 4.154 123.774 119.914 -0.490 0.000 2.788 565 V HA 0.048 4.168 4.120 -0.001 0.000 0.307 565 V C 0.261 176.144 176.094 -0.350 0.000 1.069 565 V CA 0.518 62.321 62.300 -0.827 0.000 1.173 565 V CB 0.507 31.800 31.823 -0.882 0.000 0.925 565 V HN 0.856 nan 8.190 nan 0.000 0.492 566 L N 4.731 125.779 121.223 -0.291 0.000 2.624 566 L HA 0.349 4.688 4.340 -0.001 0.000 0.222 566 L C 0.870 177.680 176.870 -0.100 0.000 1.046 566 L CA 0.797 55.557 54.840 -0.132 0.000 0.872 566 L CB 0.689 42.713 42.059 -0.058 0.000 1.190 566 L HN 0.920 nan 8.230 nan 0.000 0.487 567 S N -2.470 113.174 115.700 -0.094 0.000 2.755 567 S HA 0.529 4.999 4.470 -0.001 0.000 0.286 567 S C -0.920 173.660 174.600 -0.033 0.000 1.207 567 S CA -0.719 57.462 58.200 -0.030 0.000 0.892 567 S CB 1.779 65.001 63.200 0.037 0.000 1.240 567 S HN -0.112 nan 8.310 nan 0.000 0.525 568 S N -0.383 115.330 115.700 0.022 0.000 2.542 568 S HA 0.580 5.050 4.470 -0.001 0.000 0.293 568 S C 0.066 174.660 174.600 -0.009 0.000 1.089 568 S CA -0.990 57.191 58.200 -0.033 0.000 0.961 568 S CB 1.872 65.045 63.200 -0.045 0.000 1.062 568 S HN 0.650 nan 8.310 nan 0.000 0.483 569 R N 0.890 121.319 120.500 -0.119 0.000 2.362 569 R HA 0.371 4.711 4.340 -0.001 0.000 0.227 569 R C 0.687 176.960 176.300 -0.045 0.000 0.905 569 R CA 0.578 56.609 56.100 -0.114 0.000 1.067 569 R CB 0.253 30.400 30.300 -0.254 0.000 1.078 569 R HN 0.867 nan 8.270 nan 0.000 0.516 570 T N 0.000 114.532 114.554 -0.037 0.000 3.816 570 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 570 T CA 0.000 nan 62.100 nan 0.000 1.349 570 T CB 0.000 nan 68.868 nan 0.000 0.612 570 T HN 0.000 nan 8.240 nan 0.000 0.658