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 2b9v_1_I DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.000 0.000 1.023 50 H CB 0.000 29.762 29.762 0.000 0.000 1.292 51 D N 5.068 125.472 120.400 0.008 0.000 2.382 51 D HA 0.104 4.744 4.640 -0.000 0.000 0.259 51 D C -1.180 175.099 176.300 -0.036 0.000 1.224 51 D CA -1.844 52.135 54.000 -0.035 0.000 0.894 51 D CB 1.272 42.071 40.800 -0.002 0.000 1.127 51 D HN 0.309 nan 8.370 nan 0.000 0.487 52 P HA -0.057 nan 4.420 nan 0.000 0.229 52 P C 1.252 178.544 177.300 -0.013 0.000 1.160 52 P CA 0.531 63.602 63.100 -0.048 0.000 0.777 52 P CB 0.281 31.936 31.700 -0.075 0.000 0.814 53 L N -1.380 119.834 121.223 -0.014 0.000 2.599 53 L HA 0.107 4.447 4.340 -0.000 0.000 0.230 53 L C 1.750 178.622 176.870 0.004 0.000 1.141 53 L CA 0.566 55.403 54.840 -0.004 0.000 0.877 53 L CB -0.245 41.809 42.059 -0.007 0.000 1.009 53 L HN -0.035 nan 8.230 nan 0.000 0.447 54 S N -1.985 113.722 115.700 0.012 0.000 3.171 54 S HA 0.175 4.645 4.470 -0.000 0.000 0.258 54 S C 0.404 175.021 174.600 0.030 0.000 1.083 54 S CA -0.212 57.999 58.200 0.018 0.000 0.801 54 S CB 1.056 64.267 63.200 0.018 0.000 0.831 54 S HN -0.064 nan 8.310 nan 0.000 0.462 55 V N 3.368 123.311 119.914 0.048 0.000 2.347 55 V HA 0.550 4.670 4.120 -0.000 0.000 0.280 55 V C -0.550 175.596 176.094 0.087 0.000 1.021 55 V CA -0.425 61.917 62.300 0.070 0.000 0.847 55 V CB 1.193 33.081 31.823 0.108 0.000 0.990 55 V HN 0.269 nan 8.190 nan 0.000 0.444 56 Q N 3.440 123.276 119.800 0.060 0.000 2.372 56 Q HA 0.384 4.724 4.340 -0.000 0.000 0.259 56 Q C 0.643 176.671 176.000 0.047 0.000 0.993 56 Q CA -0.053 55.784 55.803 0.056 0.000 0.854 56 Q CB 1.582 30.340 28.738 0.033 0.000 1.231 56 Q HN 0.873 nan 8.270 nan 0.000 0.462 57 T N -0.066 114.525 114.554 0.062 0.000 3.054 57 T HA 0.423 4.773 4.350 -0.000 0.000 0.255 57 T C 0.750 175.466 174.700 0.025 0.000 1.035 57 T CA 0.243 62.358 62.100 0.025 0.000 0.941 57 T CB 0.534 69.394 68.868 -0.013 0.000 1.026 57 T HN 0.450 nan 8.240 nan 0.000 0.533 58 G N 0.939 109.761 108.800 0.037 0.000 3.019 58 G HA2 0.564 4.524 3.960 -0.000 0.000 0.152 58 G HA3 0.564 4.524 3.960 -0.000 0.000 0.152 58 G C -0.916 173.996 174.900 0.020 0.000 1.320 58 G CA -0.562 44.554 45.100 0.028 0.000 1.013 58 G HN 0.330 nan 8.290 nan 0.000 0.593 59 S N -0.982 114.729 115.700 0.017 0.000 2.501 59 S HA 0.414 4.884 4.470 -0.000 0.000 0.301 59 S C -0.155 174.452 174.600 0.013 0.000 1.096 59 S CA -0.588 57.620 58.200 0.013 0.000 1.063 59 S CB 1.614 64.820 63.200 0.011 0.000 1.042 59 S HN 0.336 nan 8.310 nan 0.000 0.494 60 D N 2.507 122.913 120.400 0.011 0.000 2.349 60 D HA 0.195 4.835 4.640 -0.000 0.000 0.215 60 D C 0.045 176.350 176.300 0.008 0.000 1.016 60 D CA 0.519 54.525 54.000 0.009 0.000 0.870 60 D CB 0.068 40.873 40.800 0.008 0.000 0.917 60 D HN 0.508 nan 8.370 nan 0.000 0.524 61 I N 3.065 123.640 120.570 0.008 0.000 2.291 61 I HA 0.141 4.311 4.170 -0.000 0.000 0.292 61 I C -1.532 174.590 176.117 0.008 0.000 1.064 61 I CA -1.656 59.648 61.300 0.007 0.000 1.269 61 I CB 0.788 38.792 38.000 0.006 0.000 1.418 61 I HN -0.217 nan 8.210 nan 0.000 0.485 73 R N 2.203 122.627 120.500 -0.127 0.000 2.594 73 R HA 0.041 4.381 4.340 -0.000 0.000 0.272 73 R C 0.208 176.420 176.300 -0.147 0.000 1.074 73 R CA 0.626 56.601 56.100 -0.208 0.000 1.105 73 R CB 0.260 30.241 30.300 -0.532 0.000 1.008 73 R HN 0.128 nan 8.270 nan 0.000 0.472 74 D N 1.279 121.655 120.400 -0.040 0.000 2.427 74 D HA 0.020 4.660 4.640 -0.000 0.000 0.224 74 D C -0.527 175.861 176.300 0.147 0.000 1.157 74 D CA -0.122 53.910 54.000 0.055 0.000 0.828 74 D CB -0.177 40.681 40.800 0.097 0.000 0.974 74 D HN 0.497 nan 8.370 nan 0.000 0.498 75 Y N -1.408 118.906 120.300 0.023 0.000 2.689 75 Y HA 0.568 5.118 4.550 -0.000 0.000 0.333 75 Y C -1.421 174.495 175.900 0.027 0.000 1.208 75 Y CA -1.887 56.230 58.100 0.028 0.000 1.055 75 Y CB 0.989 39.471 38.460 0.036 0.000 1.304 75 Y HN -0.050 nan 8.280 nan 0.000 0.455 76 I N 0.245 120.937 120.570 0.203 0.000 2.533 76 I HA 0.644 4.814 4.170 -0.000 0.000 0.290 76 I C -1.490 174.782 176.117 0.258 0.000 1.056 76 I CA -1.027 60.337 61.300 0.107 0.000 1.057 76 I CB 2.282 40.310 38.000 0.048 0.000 1.240 76 I HN 0.774 nan 8.210 nan 0.000 0.423 77 K N 6.215 126.753 120.400 0.230 0.000 2.235 77 K HA 0.569 4.889 4.320 -0.000 0.000 0.266 77 K C -0.961 175.710 176.600 0.118 0.000 0.980 77 K CA -0.661 55.753 56.287 0.211 0.000 0.849 77 K CB 1.556 34.213 32.500 0.263 0.000 1.098 77 K HN 0.744 nan 8.250 nan 0.000 0.445 78 R N 2.723 123.276 120.500 0.088 0.000 2.589 78 R HA 0.273 4.613 4.340 -0.000 0.000 0.293 78 R C -0.893 175.408 176.300 0.000 0.000 0.963 78 R CA -0.734 55.400 56.100 0.057 0.000 0.905 78 R CB 1.892 32.235 30.300 0.072 0.000 1.144 78 R HN 0.605 nan 8.270 nan 0.000 0.459 79 E N 2.026 122.215 120.200 -0.019 0.000 2.191 79 E HA 0.404 4.754 4.350 -0.000 0.000 0.263 79 E C -1.064 175.468 176.600 -0.113 0.000 0.881 79 E CA -0.715 55.608 56.400 -0.128 0.000 0.757 79 E CB 2.325 32.025 29.700 -0.001 0.000 1.147 79 E HN 0.140 nan 8.360 nan 0.000 0.414 80 V N 2.413 122.186 119.914 -0.235 0.000 3.007 80 V HA 0.422 4.542 4.120 -0.000 0.000 0.311 80 V C -0.486 175.445 176.094 -0.271 0.000 1.120 80 V CA -1.080 61.095 62.300 -0.207 0.000 0.980 80 V CB 2.155 33.814 31.823 -0.273 0.000 1.033 80 V HN 0.692 nan 8.190 nan 0.000 0.429 81 M N 2.796 122.277 119.600 -0.197 0.000 2.055 81 M HA 0.400 4.880 4.480 -0.000 0.000 0.346 81 M C -0.714 175.411 176.300 -0.291 0.000 1.074 81 M CA -0.394 54.813 55.300 -0.155 0.000 1.009 81 M CB 0.957 33.535 32.600 -0.036 0.000 1.423 81 M HN 0.403 nan 8.290 nan 0.000 0.410 82 V N 7.242 126.909 119.914 -0.412 0.000 2.427 82 V HA 0.249 4.369 4.120 -0.000 0.000 0.268 82 V C -1.829 174.114 176.094 -0.252 0.000 1.046 82 V CA -1.140 60.813 62.300 -0.578 0.000 0.970 82 V CB 0.689 32.122 31.823 -0.651 0.000 1.001 82 V HN 0.549 nan 8.190 nan 0.000 0.476 83 P HA 0.300 nan 4.420 nan 0.000 0.280 83 P C -0.556 176.756 177.300 0.021 0.000 1.244 83 P CA -0.440 62.642 63.100 -0.031 0.000 0.784 83 P CB 1.005 32.716 31.700 0.018 0.000 0.913 84 M N 2.888 122.512 119.600 0.040 0.000 2.369 84 M HA 0.264 4.744 4.480 -0.000 0.000 0.291 84 M C 2.109 178.454 176.300 0.077 0.000 1.178 84 M CA -0.653 54.692 55.300 0.074 0.000 0.996 84 M CB 0.364 33.007 32.600 0.072 0.000 1.472 84 M HN 0.407 nan 8.290 nan 0.000 0.496 85 R N 0.695 121.245 120.500 0.083 0.000 2.159 85 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 85 R C 0.494 176.819 176.300 0.042 0.000 1.131 85 R CA 1.915 58.052 56.100 0.062 0.000 0.982 85 R CB -0.573 29.752 30.300 0.041 0.000 0.868 85 R HN 0.681 nan 8.270 nan 0.000 0.453 86 D N -0.871 119.555 120.400 0.043 0.000 2.349 86 D HA 0.096 4.736 4.640 -0.000 0.000 0.214 86 D C 1.149 177.470 176.300 0.036 0.000 1.063 86 D CA 0.589 54.611 54.000 0.036 0.000 0.847 86 D CB 0.556 41.379 40.800 0.037 0.000 0.933 86 D HN 0.437 nan 8.370 nan 0.000 0.513 87 G N -0.079 108.745 108.800 0.040 0.000 2.234 87 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.235 87 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.235 87 G C 0.226 175.147 174.900 0.034 0.000 0.997 87 G CA 0.083 45.205 45.100 0.036 0.000 0.623 87 G HN 0.352 nan 8.290 nan 0.000 0.514 88 V N 2.332 122.269 119.914 0.038 0.000 2.529 88 V HA 0.314 4.434 4.120 -0.000 0.000 0.292 88 V C 0.734 176.847 176.094 0.031 0.000 1.028 88 V CA 0.435 62.758 62.300 0.039 0.000 1.074 88 V CB 1.125 32.979 31.823 0.051 0.000 0.958 88 V HN 0.346 nan 8.190 nan 0.000 0.481 89 K N 6.097 126.512 120.400 0.023 0.000 2.183 89 K HA 0.620 4.940 4.320 -0.000 0.000 0.274 89 K C -0.947 175.663 176.600 0.018 0.000 1.009 89 K CA -0.455 55.833 56.287 0.002 0.000 0.888 89 K CB 1.427 33.925 32.500 -0.004 0.000 1.078 89 K HN 0.500 nan 8.250 nan 0.000 0.459 90 L N 3.288 124.507 121.223 -0.006 0.000 2.307 90 L HA 0.324 4.664 4.340 -0.000 0.000 0.284 90 L C -0.354 176.533 176.870 0.028 0.000 1.023 90 L CA -1.208 53.652 54.840 0.033 0.000 0.810 90 L CB 0.569 42.646 42.059 0.030 0.000 1.231 90 L HN 0.553 nan 8.230 nan 0.000 0.423 91 Y N 2.694 122.983 120.300 -0.019 0.000 2.569 91 Y HA 0.126 4.676 4.550 -0.000 0.000 0.332 91 Y C -0.115 175.774 175.900 -0.018 0.000 1.120 91 Y CA 0.269 58.357 58.100 -0.020 0.000 1.416 91 Y CB 0.514 38.982 38.460 0.014 0.000 1.210 91 Y HN 0.497 nan 8.280 nan 0.000 0.528 92 T N 6.331 120.552 114.554 -0.555 0.000 2.848 92 T HA 0.521 4.871 4.350 -0.000 0.000 0.285 92 T C -1.184 173.217 174.700 -0.499 0.000 0.995 92 T CA -0.718 61.145 62.100 -0.395 0.000 0.970 92 T CB 1.247 69.941 68.868 -0.290 0.000 0.976 92 T HN 0.367 nan 8.240 nan 0.000 0.441 93 V N 4.249 124.006 119.914 -0.262 0.000 2.409 93 V HA 0.540 4.660 4.120 -0.000 0.000 0.291 93 V C -0.594 175.501 176.094 0.001 0.000 1.020 93 V CA -0.811 61.408 62.300 -0.135 0.000 0.848 93 V CB 1.056 32.875 31.823 -0.006 0.000 0.990 93 V HN 0.771 nan 8.190 nan 0.000 0.430 94 I N 5.222 125.800 120.570 0.013 0.000 2.382 94 I HA 0.428 4.598 4.170 -0.000 0.000 0.286 94 I C -0.278 175.887 176.117 0.080 0.000 1.002 94 I CA -0.400 60.932 61.300 0.053 0.000 1.135 94 I CB 1.927 39.969 38.000 0.071 0.000 1.288 94 I HN 0.304 nan 8.210 nan 0.000 0.448 95 V N 7.651 127.613 119.914 0.081 0.000 2.328 95 V HA 0.457 4.577 4.120 -0.000 0.000 0.278 95 V C 0.073 176.223 176.094 0.093 0.000 1.021 95 V CA -0.384 61.968 62.300 0.087 0.000 0.838 95 V CB 0.913 32.739 31.823 0.006 0.000 0.999 95 V HN 0.480 nan 8.190 nan 0.000 0.447 96 I N 7.411 128.061 120.570 0.133 0.000 2.404 96 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 96 I C -2.388 173.815 176.117 0.142 0.000 0.992 96 I CA -2.278 59.088 61.300 0.109 0.000 1.149 96 I CB 2.444 40.494 38.000 0.082 0.000 1.315 96 I HN 0.390 nan 8.210 nan 0.000 0.446 97 P HA 0.087 nan 4.420 nan 0.000 0.269 97 P C -0.725 176.628 177.300 0.088 0.000 1.209 97 P CA -0.397 62.776 63.100 0.121 0.000 0.776 97 P CB 0.503 32.256 31.700 0.088 0.000 0.876 98 K N 2.039 122.487 120.400 0.080 0.000 2.414 98 K HA -0.008 4.312 4.320 -0.000 0.000 0.272 98 K C 0.525 177.141 176.600 0.028 0.000 0.993 98 K CA 0.469 56.781 56.287 0.041 0.000 0.964 98 K CB -0.487 32.026 32.500 0.021 0.000 0.925 98 K HN 0.433 nan 8.250 nan 0.000 0.487 99 N N -0.384 118.326 118.700 0.016 0.000 2.714 99 N HA -0.259 4.481 4.740 -0.000 0.000 0.250 99 N C -1.099 174.414 175.510 0.005 0.000 1.117 99 N CA 0.628 53.682 53.050 0.007 0.000 0.719 99 N CB -0.681 37.808 38.487 0.005 0.000 1.081 99 N HN 0.623 nan 8.380 nan 0.000 0.557 100 A N 0.573 123.398 122.820 0.009 0.000 2.401 100 A HA 0.604 4.924 4.320 -0.000 0.000 0.259 100 A C 0.578 178.154 177.584 -0.014 0.000 1.103 100 A CA 0.190 52.228 52.037 0.000 0.000 0.789 100 A CB 0.624 19.631 19.000 0.010 0.000 1.035 100 A HN 0.357 nan 8.150 nan 0.000 0.491 101 R N 1.515 121.999 120.500 -0.028 0.000 2.548 101 R HA 0.356 4.696 4.340 -0.000 0.000 0.280 101 R C -0.615 175.653 176.300 -0.053 0.000 1.061 101 R CA -0.381 55.697 56.100 -0.037 0.000 0.915 101 R CB 0.807 31.088 30.300 -0.031 0.000 1.210 101 R HN 0.987 nan 8.270 nan 0.000 0.442 102 N N 0.716 119.377 118.700 -0.064 0.000 2.727 102 N HA -0.263 4.477 4.740 -0.000 0.000 0.249 102 N C -1.069 174.378 175.510 -0.105 0.000 1.048 102 N CA 0.714 53.715 53.050 -0.081 0.000 0.714 102 N CB -0.558 37.885 38.487 -0.073 0.000 0.959 102 N HN 0.567 nan 8.380 nan 0.000 0.544 103 A N 0.372 123.127 122.820 -0.109 0.000 2.310 103 A HA 0.651 4.971 4.320 -0.000 0.000 0.299 103 A C -1.951 175.516 177.584 -0.195 0.000 1.147 103 A CA -1.324 50.620 52.037 -0.155 0.000 0.818 103 A CB 0.827 19.763 19.000 -0.106 0.000 1.096 103 A HN 0.056 nan 8.150 nan 0.000 0.495 104 P HA 0.362 nan 4.420 nan 0.000 0.274 104 P C -0.767 176.435 177.300 -0.163 0.000 1.246 104 P CA -0.017 62.904 63.100 -0.299 0.000 0.795 104 P CB 0.717 32.118 31.700 -0.498 0.000 1.006 105 I N 1.189 121.724 120.570 -0.058 0.000 2.377 105 I HA 0.286 4.456 4.170 -0.000 0.000 0.293 105 I C -0.000 176.146 176.117 0.049 0.000 0.987 105 I CA -0.945 60.356 61.300 0.001 0.000 1.185 105 I CB 1.520 39.498 38.000 -0.038 0.000 1.341 105 I HN 0.142 nan 8.210 nan 0.000 0.455 106 L N 7.716 128.952 121.223 0.022 0.000 2.298 106 L HA 0.541 4.881 4.340 -0.000 0.000 0.284 106 L C -1.124 175.640 176.870 -0.177 0.000 1.013 106 L CA -0.418 54.361 54.840 -0.100 0.000 0.824 106 L CB 1.352 43.211 42.059 -0.333 0.000 1.221 106 L HN 0.460 nan 8.230 nan 0.000 0.418 107 L N 4.662 125.797 121.223 -0.146 0.000 2.329 107 L HA 0.795 5.135 4.340 -0.000 0.000 0.279 107 L C -0.630 176.127 176.870 -0.187 0.000 1.014 107 L CA 0.347 55.084 54.840 -0.173 0.000 0.814 107 L CB 2.135 44.139 42.059 -0.091 0.000 1.257 107 L HN 0.662 nan 8.230 nan 0.000 0.424 108 T N 4.726 119.120 114.554 -0.267 0.000 2.921 108 T HA 0.581 4.931 4.350 -0.000 0.000 0.297 108 T C -0.778 173.916 174.700 -0.010 0.000 1.013 108 T CA -0.634 61.372 62.100 -0.157 0.000 0.990 108 T CB 1.362 70.064 68.868 -0.278 0.000 1.023 108 T HN 0.539 nan 8.240 nan 0.000 0.447 109 R N 1.468 122.026 120.500 0.098 0.000 2.387 109 R HA 0.763 5.103 4.340 -0.000 0.000 0.314 109 R C -0.469 175.957 176.300 0.210 0.000 0.958 109 R CA -0.817 55.373 56.100 0.150 0.000 0.846 109 R CB 1.911 32.297 30.300 0.144 0.000 1.147 109 R HN 0.532 nan 8.270 nan 0.000 0.447 110 T N 2.002 116.668 114.554 0.186 0.000 2.909 110 T HA 0.431 4.781 4.350 -0.000 0.000 0.299 110 T C -2.336 172.327 174.700 -0.062 0.000 1.073 110 T CA -2.051 60.115 62.100 0.110 0.000 0.999 110 T CB 1.858 70.849 68.868 0.205 0.000 1.098 110 T HN 0.359 nan 8.240 nan 0.000 0.477 111 P HA 0.234 nan 4.420 nan 0.000 0.268 111 P C -0.318 176.762 177.300 -0.366 0.000 1.329 111 P CA -0.010 62.785 63.100 -0.508 0.000 0.899 111 P CB -0.036 31.054 31.700 -1.017 0.000 1.378 112 Y N 0.620 120.933 120.300 0.022 0.000 2.746 112 Y HA 0.313 4.863 4.550 -0.000 0.000 0.312 112 Y C 0.484 176.218 175.900 -0.277 0.000 1.117 112 Y CA -1.350 56.736 58.100 -0.023 0.000 1.324 112 Y CB -1.282 37.195 38.460 0.028 0.000 1.173 112 Y HN 0.074 nan 8.280 nan 0.000 0.529 113 N N 0.161 118.599 118.700 -0.436 0.000 2.413 113 N HA -0.200 4.540 4.740 -0.000 0.000 0.282 113 N C 0.857 176.198 175.510 -0.280 0.000 1.368 113 N CA 0.209 52.789 53.050 -0.783 0.000 0.627 113 N CB -0.219 37.558 38.487 -1.183 0.000 0.899 113 N HN 0.495 nan 8.380 nan 0.000 0.517 114 A N 3.702 126.479 122.820 -0.070 0.000 1.940 114 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 114 A C 1.956 179.548 177.584 0.013 0.000 1.176 114 A CA 1.908 53.980 52.037 0.058 0.000 0.631 114 A CB -0.252 18.900 19.000 0.253 0.000 0.814 114 A HN 0.762 nan 8.150 nan 0.000 0.446 115 K N -0.753 119.687 120.400 0.066 0.000 2.057 115 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 115 K C 1.989 178.548 176.600 -0.069 0.000 1.049 115 K CA 1.439 57.766 56.287 0.067 0.000 0.931 115 K CB -0.460 32.051 32.500 0.017 0.000 0.714 115 K HN 0.409 nan 8.250 nan 0.000 0.440 116 G N 0.713 109.422 108.800 -0.152 0.000 2.403 116 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 116 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 116 G C 1.407 176.178 174.900 -0.215 0.000 1.154 116 G CA 0.003 45.007 45.100 -0.161 0.000 0.784 116 G HN 0.151 nan 8.290 nan 0.000 0.538 117 R N 0.955 121.264 120.500 -0.318 0.000 2.120 117 R HA 0.006 4.346 4.340 -0.000 0.000 0.234 117 R C 2.182 178.052 176.300 -0.716 0.000 1.123 117 R CA 1.068 56.833 56.100 -0.558 0.000 0.975 117 R CB -0.703 29.098 30.300 -0.831 0.000 0.866 117 R HN 0.335 nan 8.270 nan 0.000 0.446 118 A N 0.823 123.329 122.820 -0.525 0.000 2.532 118 A HA 0.146 4.466 4.320 -0.000 0.000 0.273 118 A C 0.143 177.638 177.584 -0.148 0.000 1.342 118 A CA -0.162 51.702 52.037 -0.288 0.000 0.929 118 A CB -0.032 18.916 19.000 -0.086 0.000 1.051 118 A HN 0.068 nan 8.150 nan 0.000 0.521 119 N N -0.010 118.603 118.700 -0.146 0.000 2.628 119 N HA 0.094 4.834 4.740 -0.000 0.000 0.299 119 N C 1.069 176.537 175.510 -0.070 0.000 1.834 119 N CA -0.287 52.717 53.050 -0.078 0.000 0.871 119 N CB 0.201 38.660 38.487 -0.048 0.000 1.377 119 N HN 0.404 nan 8.380 nan 0.000 0.493 120 R N -0.189 120.264 120.500 -0.078 0.000 2.094 120 R HA -0.028 4.312 4.340 -0.000 0.000 0.239 120 R C -0.218 176.068 176.300 -0.024 0.000 1.137 120 R CA 1.393 57.464 56.100 -0.048 0.000 0.943 120 R CB -0.082 30.195 30.300 -0.038 0.000 0.850 120 R HN -0.005 nan 8.270 nan 0.000 0.433 121 V N 4.469 124.373 119.914 -0.015 0.000 2.311 121 V HA 0.249 4.369 4.120 -0.000 0.000 0.275 121 V C -2.218 173.882 176.094 0.010 0.000 1.022 121 V CA -1.869 60.433 62.300 0.003 0.000 0.830 121 V CB 1.428 33.259 31.823 0.013 0.000 1.012 121 V HN 0.259 nan 8.190 nan 0.000 0.452 122 P HA 0.012 nan 4.420 nan 0.000 0.261 122 P C 0.300 177.629 177.300 0.047 0.000 1.183 122 P CA 0.534 63.647 63.100 0.020 0.000 0.761 122 P CB -0.072 31.636 31.700 0.012 0.000 0.785 123 N N -0.507 118.237 118.700 0.074 0.000 2.708 123 N HA -0.217 4.523 4.740 -0.000 0.000 0.249 123 N C 0.225 175.816 175.510 0.135 0.000 1.097 123 N CA 0.345 53.463 53.050 0.113 0.000 0.710 123 N CB -1.221 37.309 38.487 0.072 0.000 1.032 123 N HN 0.629 nan 8.380 nan 0.000 0.551 124 A N -0.011 122.898 122.820 0.148 0.000 2.492 124 A HA 0.214 4.534 4.320 -0.000 0.000 0.236 124 A C 1.393 179.112 177.584 0.225 0.000 1.078 124 A CA 0.010 52.133 52.037 0.144 0.000 0.773 124 A CB 0.286 19.348 19.000 0.103 0.000 1.023 124 A HN 0.352 nan 8.150 nan 0.000 0.504 125 L N 0.491 121.802 121.223 0.145 0.000 2.313 125 L HA 0.029 4.369 4.340 -0.000 0.000 0.214 125 L C 1.255 178.239 176.870 0.192 0.000 1.119 125 L CA 1.262 56.170 54.840 0.112 0.000 0.809 125 L CB -0.711 41.380 42.059 0.053 0.000 0.933 125 L HN 0.911 nan 8.230 nan 0.000 0.449 126 T N -4.667 110.029 114.554 0.236 0.000 2.887 126 T HA 0.279 4.629 4.350 -0.000 0.000 0.288 126 T C 0.621 175.444 174.700 0.205 0.000 1.021 126 T CA -0.683 61.558 62.100 0.235 0.000 1.000 126 T CB 2.375 71.311 68.868 0.114 0.000 1.034 126 T HN -0.020 nan 8.240 nan 0.000 0.467 127 M N 0.841 120.545 119.600 0.173 0.000 2.149 127 M HA -0.043 4.437 4.480 -0.000 0.000 0.261 127 M C 2.371 178.619 176.300 -0.086 0.000 1.064 127 M CA 1.554 56.773 55.300 -0.136 0.000 1.102 127 M CB -0.206 32.382 32.600 -0.020 0.000 1.369 127 M HN 0.752 nan 8.290 nan 0.000 0.408 128 R N 0.579 121.077 120.500 -0.004 0.000 2.105 128 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 128 R C 1.596 177.888 176.300 -0.013 0.000 1.135 128 R CA 2.096 58.193 56.100 -0.004 0.000 0.967 128 R CB -0.310 29.998 30.300 0.012 0.000 0.861 128 R HN 0.530 nan 8.270 nan 0.000 0.442 129 E N -1.067 119.131 120.200 -0.002 0.000 2.112 129 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 129 E C 1.788 178.371 176.600 -0.028 0.000 0.979 129 E CA 1.075 57.474 56.400 -0.001 0.000 0.814 129 E CB 0.003 29.719 29.700 0.027 0.000 0.762 129 E HN 0.121 nan 8.360 nan 0.000 0.460 130 V N 1.148 121.016 119.914 -0.078 0.000 2.871 130 V HA -0.022 4.098 4.120 -0.000 0.000 0.256 130 V C 0.733 176.755 176.094 -0.120 0.000 1.082 130 V CA 0.732 62.959 62.300 -0.122 0.000 1.105 130 V CB 0.008 31.669 31.823 -0.269 0.000 0.713 130 V HN 0.062 nan 8.190 nan 0.000 0.473 131 L N 0.629 121.795 121.223 -0.095 0.000 2.375 131 L HA 0.444 4.784 4.340 -0.000 0.000 0.268 131 L C -2.151 174.709 176.870 -0.018 0.000 1.058 131 L CA -2.047 52.770 54.840 -0.038 0.000 0.803 131 L CB 1.006 43.069 42.059 0.008 0.000 1.212 131 L HN -0.010 nan 8.230 nan 0.000 0.451 132 P HA -0.045 nan 4.420 nan 0.000 0.271 132 P C 0.021 177.311 177.300 -0.017 0.000 1.238 132 P CA -0.176 62.921 63.100 -0.005 0.000 0.794 132 P CB 0.479 32.183 31.700 0.007 0.000 0.959 133 Q N 0.904 120.680 119.800 -0.039 0.000 2.124 133 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 133 Q C 1.994 177.943 176.000 -0.086 0.000 0.977 133 Q CA 2.135 57.909 55.803 -0.049 0.000 0.850 133 Q CB -1.012 27.715 28.738 -0.017 0.000 0.901 133 Q HN 0.684 nan 8.270 nan 0.000 0.429 134 G N -0.018 108.687 108.800 -0.158 0.000 2.509 134 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 134 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 134 G C 0.577 175.463 174.900 -0.025 0.000 1.124 134 G CA 0.852 45.880 45.100 -0.120 0.000 0.776 134 G HN 0.373 nan 8.290 nan 0.000 0.547 135 D N 0.827 121.229 120.400 0.004 0.000 2.339 135 D HA 0.027 4.667 4.640 -0.000 0.000 0.217 135 D C 1.992 178.300 176.300 0.013 0.000 1.050 135 D CA 0.523 54.559 54.000 0.059 0.000 0.856 135 D CB 0.048 40.886 40.800 0.064 0.000 0.922 135 D HN 0.404 nan 8.370 nan 0.000 0.518 136 D N 1.004 121.384 120.400 -0.033 0.000 2.133 136 D HA -0.215 4.425 4.640 -0.000 0.000 0.192 136 D C 2.024 178.260 176.300 -0.108 0.000 1.001 136 D CA 1.807 55.780 54.000 -0.045 0.000 0.844 136 D CB -0.907 39.883 40.800 -0.017 0.000 0.944 136 D HN 0.295 nan 8.370 nan 0.000 0.447 137 V N -2.663 117.095 119.914 -0.260 0.000 2.667 137 V HA -0.054 4.066 4.120 -0.000 0.000 0.252 137 V C 2.311 178.068 176.094 -0.561 0.000 1.065 137 V CA 1.037 63.065 62.300 -0.454 0.000 1.083 137 V CB -1.196 30.210 31.823 -0.696 0.000 0.692 137 V HN -0.009 nan 8.190 nan 0.000 0.468 138 F N 0.297 120.043 119.950 -0.339 0.000 2.416 138 F HA 0.174 4.701 4.527 -0.000 0.000 0.296 138 F C 2.326 178.069 175.800 -0.095 0.000 1.099 138 F CA 1.028 58.782 58.000 -0.410 0.000 1.427 138 F CB -0.586 38.004 39.000 -0.683 0.000 1.079 138 F HN -0.019 nan 8.300 nan 0.000 0.536 139 V N -0.004 119.953 119.914 0.072 0.000 2.379 139 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 139 V C 2.080 178.210 176.094 0.061 0.000 1.044 139 V CA 1.795 64.139 62.300 0.073 0.000 1.036 139 V CB -0.552 31.290 31.823 0.032 0.000 0.664 139 V HN 0.286 nan 8.190 nan 0.000 0.453 140 E N 0.489 120.695 120.200 0.011 0.000 2.153 140 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 140 E C 2.158 178.779 176.600 0.035 0.000 0.988 140 E CA 1.182 57.585 56.400 0.005 0.000 0.811 140 E CB -0.363 29.316 29.700 -0.036 0.000 0.746 140 E HN 0.636 nan 8.360 nan 0.000 0.466 141 G N -0.238 108.607 108.800 0.075 0.000 2.920 141 G HA2 0.119 4.079 3.960 -0.000 0.000 0.208 141 G HA3 0.119 4.079 3.960 -0.000 0.000 0.208 141 G C 1.011 176.049 174.900 0.231 0.000 1.159 141 G CA 0.222 45.430 45.100 0.180 0.000 0.784 141 G HN 0.383 nan 8.290 nan 0.000 0.535 142 G N -1.260 107.658 108.800 0.196 0.000 2.147 142 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.244 142 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.244 142 G C 0.141 175.119 174.900 0.129 0.000 1.005 142 G CA 0.020 45.195 45.100 0.125 0.000 0.713 142 G HN 0.371 nan 8.290 nan 0.000 0.515 143 Y N -0.451 119.883 120.300 0.057 0.000 2.357 143 Y HA 0.552 5.102 4.550 -0.000 0.000 0.340 143 Y C 1.533 177.441 175.900 0.014 0.000 1.260 143 Y CA -0.501 57.625 58.100 0.043 0.000 1.425 143 Y CB 0.541 39.042 38.460 0.070 0.000 1.326 143 Y HN 0.172 nan 8.280 nan 0.000 0.580 144 I N 2.946 123.589 120.570 0.123 0.000 2.396 144 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 144 I C -0.157 175.995 176.117 0.059 0.000 0.999 144 I CA -0.681 60.662 61.300 0.070 0.000 1.310 144 I CB 1.168 39.182 38.000 0.025 0.000 1.404 144 I HN 0.389 nan 8.210 nan 0.000 0.496 145 R N 5.109 125.629 120.500 0.034 0.000 2.445 145 R HA 0.644 4.984 4.340 -0.000 0.000 0.308 145 R C -1.668 174.613 176.300 -0.032 0.000 0.961 145 R CA -0.472 55.611 56.100 -0.027 0.000 0.862 145 R CB 1.433 31.739 30.300 0.009 0.000 1.144 145 R HN 0.396 nan 8.270 nan 0.000 0.447 146 V N 5.522 125.350 119.914 -0.144 0.000 2.487 146 V HA 0.544 4.664 4.120 -0.000 0.000 0.298 146 V C -0.966 174.969 176.094 -0.265 0.000 1.028 146 V CA -0.612 61.625 62.300 -0.105 0.000 0.860 146 V CB 1.521 33.304 31.823 -0.065 0.000 0.991 146 V HN 0.613 nan 8.190 nan 0.000 0.427 147 F N 2.999 122.941 119.950 -0.014 0.000 2.493 147 F HA 0.612 5.139 4.527 -0.000 0.000 0.329 147 F C 0.110 175.908 175.800 -0.003 0.000 1.126 147 F CA -0.285 57.718 58.000 0.006 0.000 0.937 147 F CB 1.965 40.974 39.000 0.015 0.000 1.146 147 F HN 0.419 nan 8.300 nan 0.000 0.442 148 Q N 2.740 122.648 119.800 0.181 0.000 2.356 148 Q HA 0.292 4.632 4.340 -0.000 0.000 0.270 148 Q C -1.600 174.500 176.000 0.167 0.000 1.058 148 Q CA -0.981 54.894 55.803 0.120 0.000 0.802 148 Q CB 1.826 30.598 28.738 0.056 0.000 1.303 148 Q HN 0.484 nan 8.270 nan 0.000 0.444 149 D N 4.151 124.666 120.400 0.191 0.000 2.348 149 D HA 0.190 4.830 4.640 -0.000 0.000 0.253 149 D C 0.438 176.827 176.300 0.148 0.000 1.161 149 D CA 0.004 54.113 54.000 0.183 0.000 0.876 149 D CB 0.554 41.492 40.800 0.230 0.000 1.160 149 D HN 0.543 nan 8.370 nan 0.000 0.459 150 I N -0.901 119.751 120.570 0.136 0.000 3.060 150 I HA 0.173 4.343 4.170 -0.000 0.000 0.285 150 I C 0.853 177.068 176.117 0.164 0.000 1.190 150 I CA -0.818 60.582 61.300 0.167 0.000 1.363 150 I CB 0.636 38.774 38.000 0.230 0.000 1.396 150 I HN 0.154 nan 8.210 nan 0.000 0.607 151 R N 2.821 123.434 120.500 0.188 0.000 2.485 151 R HA 0.103 4.443 4.340 -0.000 0.000 0.304 151 R C 1.000 177.433 176.300 0.221 0.000 0.934 151 R CA 1.316 57.522 56.100 0.177 0.000 1.102 151 R CB -0.364 30.041 30.300 0.175 0.000 0.906 151 R HN 1.152 nan 8.270 nan 0.000 0.407 152 G N 3.011 111.899 108.800 0.147 0.000 2.175 152 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 152 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 152 G C -0.386 174.498 174.900 -0.027 0.000 0.982 152 G CA 0.131 45.306 45.100 0.126 0.000 0.641 152 G HN 0.520 nan 8.290 nan 0.000 0.527 153 K N -0.591 119.771 120.400 -0.064 0.000 2.259 153 K HA 0.670 4.990 4.320 -0.000 0.000 0.249 153 K C 0.944 177.527 176.600 -0.028 0.000 0.942 153 K CA -0.822 55.351 56.287 -0.190 0.000 0.816 153 K CB 1.450 33.803 32.500 -0.244 0.000 1.155 153 K HN 0.178 nan 8.250 nan 0.000 0.428 154 Y N 0.252 120.474 120.300 -0.129 0.000 2.767 154 Y HA -0.451 4.099 4.550 -0.000 0.000 0.473 154 Y C 1.833 177.656 175.900 -0.129 0.000 1.106 154 Y CA 2.064 60.090 58.100 -0.123 0.000 2.834 154 Y CB -1.435 36.954 38.460 -0.119 0.000 1.131 154 Y HN 0.816 nan 8.280 nan 0.000 0.614 155 G N -0.014 108.796 108.800 0.016 0.000 2.848 155 G HA2 0.189 4.148 3.960 -0.000 0.000 0.208 155 G HA3 0.189 4.148 3.960 -0.000 0.000 0.208 155 G C 0.204 175.133 174.900 0.049 0.000 1.152 155 G CA 0.795 45.826 45.100 -0.116 0.000 0.789 155 G HN 0.273 nan 8.290 nan 0.000 0.531 156 S N -0.138 115.613 115.700 0.086 0.000 2.646 156 S HA 0.418 4.888 4.470 -0.000 0.000 0.276 156 S C 0.244 174.875 174.600 0.052 0.000 1.222 156 S CA -0.576 57.679 58.200 0.092 0.000 1.014 156 S CB 1.577 64.843 63.200 0.110 0.000 0.991 156 S HN 0.421 nan 8.310 nan 0.000 0.533 157 Q N 0.145 119.977 119.800 0.054 0.000 2.222 157 Q HA 0.649 4.989 4.340 -0.000 0.000 0.211 157 Q C 0.567 176.600 176.000 0.056 0.000 1.013 157 Q CA -0.344 55.485 55.803 0.042 0.000 0.993 157 Q CB 0.570 29.331 28.738 0.038 0.000 1.151 157 Q HN 0.971 nan 8.270 nan 0.000 0.544 158 G N 0.484 109.315 108.800 0.052 0.000 2.655 158 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.680 158 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.680 158 G C -1.590 173.356 174.900 0.078 0.000 1.302 158 G CA -0.827 44.313 45.100 0.066 0.000 0.872 158 G HN 0.552 nan 8.290 nan 0.000 0.540 159 D N -0.181 120.272 120.400 0.089 0.000 2.198 159 D HA 0.460 5.100 4.640 -0.000 0.000 0.245 159 D C -0.306 176.088 176.300 0.156 0.000 1.079 159 D CA 0.048 54.108 54.000 0.100 0.000 0.854 159 D CB 1.443 42.284 40.800 0.068 0.000 1.148 159 D HN 0.487 nan 8.370 nan 0.000 0.456 160 Y N 1.873 122.193 120.300 0.034 0.000 2.327 160 Y HA 0.372 4.922 4.550 -0.000 0.000 0.336 160 Y C -0.812 175.128 175.900 0.066 0.000 1.035 160 Y CA -0.396 57.732 58.100 0.047 0.000 1.165 160 Y CB 0.785 39.253 38.460 0.013 0.000 1.181 160 Y HN 0.055 nan 8.280 nan 0.000 0.494 161 V N 8.250 127.851 119.914 -0.522 0.000 2.483 161 V HA 0.175 4.295 4.120 -0.000 0.000 0.297 161 V C -0.155 175.513 176.094 -0.710 0.000 1.027 161 V CA -1.035 61.006 62.300 -0.431 0.000 0.855 161 V CB 1.360 33.116 31.823 -0.112 0.000 0.995 161 V HN 0.889 nan 8.190 nan 0.000 0.424 162 M N 5.486 124.694 119.600 -0.653 0.000 2.284 162 M HA 0.157 4.637 4.480 -0.000 0.000 0.351 162 M C 1.008 177.187 176.300 -0.202 0.000 1.443 162 M CA 0.985 55.998 55.300 -0.479 0.000 1.031 162 M CB -0.242 31.854 32.600 -0.841 0.000 1.893 162 M HN 1.147 nan 8.290 nan 0.000 0.456 163 T N 2.403 116.888 114.554 -0.114 0.000 3.473 163 T HA -0.263 4.087 4.350 -0.000 0.000 0.403 163 T C 0.161 174.892 174.700 0.051 0.000 0.768 163 T CA 0.975 62.838 62.100 -0.395 0.000 2.009 163 T CB -1.601 67.001 68.868 -0.444 0.000 1.715 163 T HN 0.971 nan 8.240 nan 0.000 0.666 164 R N 1.676 122.277 120.500 0.168 0.000 2.526 164 R HA 0.112 4.452 4.340 -0.000 0.000 0.319 164 R C -1.970 174.480 176.300 0.250 0.000 0.888 164 R CA -0.896 55.312 56.100 0.180 0.000 1.127 164 R CB 0.207 30.619 30.300 0.186 0.000 0.888 164 R HN 0.357 nan 8.270 nan 0.000 0.410 165 P HA 0.100 nan 4.420 nan 0.000 0.272 165 P C -2.462 174.905 177.300 0.112 0.000 1.230 165 P CA -1.146 62.022 63.100 0.113 0.000 0.788 165 P CB 0.248 31.950 31.700 0.003 0.000 0.949 166 P HA 0.053 nan 4.420 nan 0.000 0.274 166 P C -0.383 176.972 177.300 0.093 0.000 1.256 166 P CA -0.062 63.096 63.100 0.097 0.000 0.795 166 P CB 0.135 31.884 31.700 0.082 0.000 1.038 167 H N -0.383 118.703 119.070 0.028 0.000 3.094 167 H HA 0.373 4.929 4.556 -0.000 0.000 0.320 167 H C 0.778 176.112 175.328 0.009 0.000 1.000 167 H CA 2.319 58.377 56.048 0.017 0.000 1.413 167 H CB -0.519 29.249 29.762 0.010 0.000 1.405 167 H HN 0.784 nan 8.280 nan 0.000 0.586 168 G N 3.809 112.320 108.800 -0.482 0.000 2.368 168 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.269 168 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.269 168 G C -2.075 172.677 174.900 -0.246 0.000 1.291 168 G CA -0.357 44.554 45.100 -0.315 0.000 0.903 168 G HN 0.455 nan 8.290 nan 0.000 0.483 169 P HA 0.022 nan 4.420 nan 0.000 0.218 169 P C 1.678 178.925 177.300 -0.089 0.000 1.148 169 P CA 1.026 64.061 63.100 -0.108 0.000 0.822 169 P CB 0.117 31.767 31.700 -0.083 0.000 0.784 170 L N -1.938 119.232 121.223 -0.089 0.000 2.592 170 L HA 0.176 4.516 4.340 -0.000 0.000 0.227 170 L C 0.701 177.551 176.870 -0.034 0.000 1.127 170 L CA 0.216 55.021 54.840 -0.058 0.000 0.884 170 L CB -0.433 41.565 42.059 -0.100 0.000 1.065 170 L HN -0.003 nan 8.230 nan 0.000 0.457 171 N N 0.006 118.670 118.700 -0.059 0.000 2.827 171 N HA 0.142 4.882 4.740 -0.000 0.000 0.240 171 N C -2.387 173.086 175.510 -0.063 0.000 1.352 171 N CA -1.093 51.945 53.050 -0.020 0.000 0.760 171 N CB 1.312 39.818 38.487 0.032 0.000 1.426 171 N HN -0.260 nan 8.380 nan 0.000 0.561 172 P HA 0.062 nan 4.420 nan 0.000 0.249 172 P C 0.437 177.803 177.300 0.110 0.000 1.229 172 P CA 0.269 63.347 63.100 -0.036 0.000 0.788 172 P CB -0.109 31.576 31.700 -0.025 0.000 1.072 173 T N -2.258 112.372 114.554 0.128 0.000 2.726 173 T HA 0.175 4.525 4.350 -0.000 0.000 0.294 173 T C 1.199 175.998 174.700 0.164 0.000 1.013 173 T CA -0.364 61.811 62.100 0.125 0.000 0.996 173 T CB 0.847 69.769 68.868 0.091 0.000 1.016 173 T HN -0.168 nan 8.240 nan 0.000 0.529 174 K N 0.550 120.993 120.400 0.072 0.000 2.459 174 K HA 0.110 4.430 4.320 -0.000 0.000 0.193 174 K C 1.078 177.674 176.600 -0.006 0.000 1.030 174 K CA 0.355 56.641 56.287 -0.002 0.000 1.026 174 K CB -0.216 32.276 32.500 -0.014 0.000 0.809 174 K HN 0.911 nan 8.250 nan 0.000 0.504 175 T N -0.509 114.075 114.554 0.050 0.000 2.916 175 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 175 T C -0.911 173.845 174.700 0.093 0.000 1.055 175 T CA -0.902 61.233 62.100 0.057 0.000 1.009 175 T CB 2.622 71.528 68.868 0.064 0.000 1.118 175 T HN 0.063 nan 8.240 nan 0.000 0.497 176 D N -0.680 119.779 120.400 0.098 0.000 2.713 176 D HA 0.256 4.896 4.640 -0.000 0.000 0.306 176 D C 0.601 176.976 176.300 0.124 0.000 1.299 176 D CA -0.717 53.355 54.000 0.120 0.000 0.823 176 D CB 0.189 41.064 40.800 0.124 0.000 1.353 176 D HN 0.350 nan 8.370 nan 0.000 0.447 177 E N -0.376 119.906 120.200 0.137 0.000 2.209 177 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 177 E C 1.465 178.124 176.600 0.098 0.000 0.993 177 E CA 1.556 58.034 56.400 0.131 0.000 0.819 177 E CB -0.455 29.316 29.700 0.118 0.000 0.745 177 E HN 0.602 nan 8.360 nan 0.000 0.477 178 T N 0.608 115.213 114.554 0.085 0.000 2.770 178 T HA -0.121 4.229 4.350 -0.000 0.000 0.263 178 T C 2.144 176.940 174.700 0.161 0.000 1.039 178 T CA 2.073 64.235 62.100 0.104 0.000 1.142 178 T CB -0.421 68.497 68.868 0.083 0.000 0.868 178 T HN 0.432 nan 8.240 nan 0.000 0.435 179 T N 0.494 115.124 114.554 0.127 0.000 2.904 179 T HA -0.097 4.253 4.350 -0.000 0.000 0.267 179 T C 1.549 176.373 174.700 0.207 0.000 1.059 179 T CA 1.081 63.266 62.100 0.141 0.000 1.137 179 T CB -0.403 68.492 68.868 0.044 0.000 0.879 179 T HN 0.111 nan 8.240 nan 0.000 0.467 180 D N 2.064 122.564 120.400 0.165 0.000 2.097 180 D HA 0.075 4.715 4.640 -0.000 0.000 0.195 180 D C 2.465 178.867 176.300 0.169 0.000 0.989 180 D CA 1.520 55.614 54.000 0.157 0.000 0.827 180 D CB -0.674 40.210 40.800 0.139 0.000 0.966 180 D HN 0.567 nan 8.370 nan 0.000 0.456 181 A N -0.367 122.553 122.820 0.166 0.000 2.015 181 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 181 A C 2.127 179.812 177.584 0.168 0.000 1.163 181 A CA 1.000 53.118 52.037 0.135 0.000 0.646 181 A CB -1.022 18.044 19.000 0.111 0.000 0.806 181 A HN 0.377 nan 8.150 nan 0.000 0.448 182 W N 0.940 122.288 121.300 0.081 0.000 2.407 182 W HA -0.117 4.543 4.660 -0.000 0.000 0.305 182 W C 1.465 178.057 176.519 0.122 0.000 1.196 182 W CA 1.660 59.083 57.345 0.130 0.000 1.311 182 W CB 0.108 29.646 29.460 0.130 0.000 1.135 182 W HN 0.346 nan 8.180 nan 0.000 0.514 183 D N -0.793 119.903 120.400 0.495 0.000 2.144 183 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 183 D C 2.099 178.511 176.300 0.188 0.000 0.984 183 D CA 2.054 56.278 54.000 0.373 0.000 0.834 183 D CB -0.822 40.149 40.800 0.285 0.000 0.955 183 D HN 0.125 nan 8.370 nan 0.000 0.465 184 T N 0.496 115.121 114.554 0.119 0.000 2.777 184 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 184 T C 2.243 176.952 174.700 0.015 0.000 1.040 184 T CA 0.652 62.795 62.100 0.071 0.000 1.141 184 T CB -0.219 68.673 68.868 0.040 0.000 0.868 184 T HN -0.028 nan 8.240 nan 0.000 0.444 185 V N 1.691 121.518 119.914 -0.145 0.000 2.407 185 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 185 V C 2.361 178.145 176.094 -0.517 0.000 1.055 185 V CA 1.848 63.935 62.300 -0.355 0.000 1.049 185 V CB -0.580 30.946 31.823 -0.495 0.000 0.662 185 V HN 0.454 nan 8.190 nan 0.000 0.455 186 D N -1.322 118.733 120.400 -0.575 0.000 2.144 186 D HA -0.244 4.396 4.640 -0.000 0.000 0.199 186 D C 1.858 178.180 176.300 0.037 0.000 0.984 186 D CA 1.422 55.215 54.000 -0.346 0.000 0.834 186 D CB -0.184 40.566 40.800 -0.083 0.000 0.955 186 D HN 0.564 nan 8.370 nan 0.000 0.465 187 W N 0.567 121.827 121.300 -0.066 0.000 2.381 187 W HA -0.035 4.625 4.660 -0.000 0.000 0.301 187 W C 1.974 178.482 176.519 -0.018 0.000 1.205 187 W CA 1.023 58.366 57.345 -0.004 0.000 1.285 187 W CB -0.272 29.185 29.460 -0.004 0.000 1.133 187 W HN -0.024 nan 8.180 nan 0.000 0.521 188 L N 0.340 121.710 121.223 0.247 0.000 2.012 188 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 188 L C 2.500 179.280 176.870 -0.149 0.000 1.073 188 L CA 1.864 56.755 54.840 0.086 0.000 0.748 188 L CB -1.504 40.599 42.059 0.074 0.000 0.891 188 L HN 0.075 nan 8.230 nan 0.000 0.431 189 V N -4.003 115.794 119.914 -0.195 0.000 2.759 189 V HA -0.212 3.908 4.120 -0.000 0.000 0.256 189 V C 1.672 177.519 176.094 -0.412 0.000 1.080 189 V CA 1.531 63.658 62.300 -0.289 0.000 1.101 189 V CB -0.981 30.648 31.823 -0.323 0.000 0.698 189 V HN 0.461 nan 8.190 nan 0.000 0.477 190 H N 0.413 119.317 119.070 -0.276 0.000 2.622 190 H HA 0.347 4.903 4.556 -0.000 0.000 0.269 190 H C 1.033 176.108 175.328 -0.421 0.000 0.977 190 H CA 0.856 56.729 56.048 -0.292 0.000 1.179 190 H CB 0.204 29.813 29.762 -0.255 0.000 1.458 190 H HN 0.541 nan 8.280 nan 0.000 0.531 191 N N -0.496 117.892 118.700 -0.520 0.000 2.240 191 N HA 0.148 4.888 4.740 -0.000 0.000 0.240 191 N C -1.177 174.082 175.510 -0.418 0.000 1.277 191 N CA 0.076 52.719 53.050 -0.677 0.000 0.873 191 N CB 2.201 39.704 38.487 -1.641 0.000 1.222 191 N HN -0.104 nan 8.380 nan 0.000 0.507 192 V N 1.910 121.671 119.914 -0.256 0.000 2.315 192 V HA 0.280 4.400 4.120 -0.000 0.000 0.265 192 V C -1.834 174.196 176.094 -0.107 0.000 1.019 192 V CA -1.205 61.023 62.300 -0.121 0.000 0.824 192 V CB 1.431 33.219 31.823 -0.058 0.000 1.072 192 V HN -0.025 nan 8.190 nan 0.000 0.448 193 P HA -0.091 nan 4.420 nan 0.000 0.223 193 P C 1.003 178.266 177.300 -0.062 0.000 1.144 193 P CA 0.943 63.996 63.100 -0.078 0.000 0.783 193 P CB 0.407 32.071 31.700 -0.060 0.000 0.771 194 E N -0.708 119.463 120.200 -0.048 0.000 2.502 194 E HA 0.008 4.358 4.350 -0.000 0.000 0.194 194 E C 0.821 177.388 176.600 -0.054 0.000 1.062 194 E CA 0.091 56.467 56.400 -0.040 0.000 0.867 194 E CB -0.298 29.391 29.700 -0.018 0.000 0.888 194 E HN 0.306 nan 8.360 nan 0.000 0.510 195 S N 0.712 116.370 115.700 -0.071 0.000 2.713 195 S HA 0.205 4.675 4.470 -0.000 0.000 0.283 195 S C 0.703 175.241 174.600 -0.102 0.000 1.161 195 S CA -0.780 57.367 58.200 -0.088 0.000 0.999 195 S CB 0.956 64.101 63.200 -0.092 0.000 1.039 195 S HN 0.139 nan 8.310 nan 0.000 0.548 196 N N -0.292 118.340 118.700 -0.114 0.000 2.268 196 N HA 0.216 4.956 4.740 -0.000 0.000 0.204 196 N C 1.115 176.552 175.510 -0.121 0.000 1.124 196 N CA 0.284 53.267 53.050 -0.112 0.000 0.838 196 N CB -0.369 38.050 38.487 -0.112 0.000 0.994 196 N HN 1.358 nan 8.380 nan 0.000 0.489 197 G N 0.353 109.072 108.800 -0.135 0.000 2.155 197 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.257 197 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.257 197 G C -0.434 174.386 174.900 -0.134 0.000 0.983 197 G CA 0.000 45.007 45.100 -0.155 0.000 0.676 197 G HN 0.442 nan 8.290 nan 0.000 0.528 198 R N -0.348 120.081 120.500 -0.119 0.000 2.514 198 R HA 0.684 5.024 4.340 -0.000 0.000 0.301 198 R C -0.669 175.570 176.300 -0.102 0.000 0.962 198 R CA -0.678 55.359 56.100 -0.104 0.000 0.882 198 R CB 2.364 32.605 30.300 -0.097 0.000 1.143 198 R HN 0.172 nan 8.270 nan 0.000 0.452 199 V N 0.963 120.817 119.914 -0.101 0.000 2.656 199 V HA 0.646 4.766 4.120 -0.000 0.000 0.307 199 V C 0.306 176.338 176.094 -0.104 0.000 1.051 199 V CA -0.885 61.361 62.300 -0.090 0.000 0.893 199 V CB 2.242 34.001 31.823 -0.106 0.000 0.999 199 V HN 0.936 nan 8.190 nan 0.000 0.426 200 G N 3.557 112.317 108.800 -0.068 0.000 2.452 200 G HA2 0.736 4.696 3.960 -0.000 0.000 0.324 200 G HA3 0.736 4.696 3.960 -0.000 0.000 0.324 200 G C -0.967 173.958 174.900 0.043 0.000 1.214 200 G CA -0.684 44.343 45.100 -0.122 0.000 0.947 200 G HN 0.520 nan 8.290 nan 0.000 0.478 201 M N 1.062 120.704 119.600 0.070 0.000 2.508 201 M HA 0.607 5.087 4.480 -0.000 0.000 0.327 201 M C -0.143 176.274 176.300 0.196 0.000 1.160 201 M CA -0.550 54.801 55.300 0.086 0.000 0.980 201 M CB 2.706 35.320 32.600 0.022 0.000 1.693 201 M HN 0.590 nan 8.290 nan 0.000 0.452 202 T N 0.761 115.375 114.554 0.100 0.000 2.739 202 T HA 0.869 5.219 4.350 -0.000 0.000 0.303 202 T C -1.381 173.356 174.700 0.062 0.000 1.389 202 T CA -0.039 62.123 62.100 0.104 0.000 1.001 202 T CB 2.105 71.057 68.868 0.141 0.000 1.436 202 T HN 1.023 nan 8.240 nan 0.000 0.500 203 G N 0.798 109.649 108.800 0.085 0.000 2.358 203 G HA2 0.441 4.401 3.960 -0.000 0.000 0.303 203 G HA3 0.441 4.401 3.960 -0.000 0.000 0.303 203 G C -1.387 173.596 174.900 0.137 0.000 1.537 203 G CA 0.057 45.235 45.100 0.129 0.000 0.928 203 G HN 0.786 nan 8.290 nan 0.000 0.656 204 S N -0.240 115.558 115.700 0.164 0.000 2.532 204 S HA 0.859 5.329 4.470 -0.000 0.000 0.301 204 S C 0.864 175.619 174.600 0.259 0.000 1.083 204 S CA 1.257 59.541 58.200 0.140 0.000 1.025 204 S CB 1.455 64.667 63.200 0.021 0.000 1.056 204 S HN 2.445 nan 8.310 nan 0.000 0.494 205 S N 2.147 118.026 115.700 0.298 0.000 4.118 205 S HA -0.313 4.157 4.470 -0.000 0.000 0.624 205 S C 0.816 175.694 174.600 0.464 0.000 1.929 205 S CA 1.359 59.839 58.200 0.466 0.000 4.219 205 S CB -1.915 61.648 63.200 0.604 0.000 0.206 205 S HN 1.008 nan 8.310 nan 0.000 0.525 206 Y N 2.304 122.858 120.300 0.423 0.000 2.352 206 Y HA 0.016 4.566 4.550 -0.000 0.000 0.292 206 Y C 2.376 178.508 175.900 0.387 0.000 1.136 206 Y CA 2.027 60.348 58.100 0.368 0.000 1.227 206 Y CB -0.107 38.525 38.460 0.287 0.000 0.991 206 Y HN 0.572 nan 8.280 nan 0.000 0.545 207 E N -1.013 119.528 120.200 0.569 0.000 2.347 207 E HA -0.107 4.243 4.350 -0.000 0.000 0.196 207 E C 2.215 179.007 176.600 0.320 0.000 1.008 207 E CA 0.643 57.292 56.400 0.416 0.000 0.852 207 E CB -0.141 29.777 29.700 0.362 0.000 0.783 207 E HN 0.602 nan 8.360 nan 0.000 0.505 208 G N 0.830 109.824 108.800 0.324 0.000 2.453 208 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.215 208 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.215 208 G C 1.303 176.362 174.900 0.266 0.000 1.147 208 G CA -0.062 45.186 45.100 0.247 0.000 0.802 208 G HN 0.260 nan 8.290 nan 0.000 0.535 209 F N 3.118 123.169 119.950 0.168 0.000 2.126 209 F HA -0.168 4.359 4.527 -0.000 0.000 0.299 209 F C 2.871 178.752 175.800 0.135 0.000 1.096 209 F CA 2.367 60.435 58.000 0.112 0.000 1.255 209 F CB -0.488 38.479 39.000 -0.054 0.000 0.997 209 F HN 0.188 nan 8.300 nan 0.000 0.479 210 T N -2.121 112.522 114.554 0.147 0.000 2.867 210 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 210 T C 1.957 176.658 174.700 0.002 0.000 1.057 210 T CA 1.329 63.460 62.100 0.052 0.000 1.136 210 T CB -1.178 67.845 68.868 0.259 0.000 0.874 210 T HN 0.180 nan 8.240 nan 0.000 0.466 211 V N 1.268 121.207 119.914 0.043 0.000 2.379 211 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 211 V C 2.920 179.006 176.094 -0.013 0.000 1.044 211 V CA 1.170 63.479 62.300 0.015 0.000 1.036 211 V CB -0.637 31.192 31.823 0.010 0.000 0.664 211 V HN 0.377 nan 8.190 nan 0.000 0.453 212 V N -0.506 119.409 119.914 0.001 0.000 2.343 212 V HA -0.274 3.845 4.120 -0.000 0.000 0.247 212 V C 2.526 178.610 176.094 -0.017 0.000 1.051 212 V CA 1.785 64.121 62.300 0.060 0.000 1.036 212 V CB -0.602 31.323 31.823 0.169 0.000 0.654 212 V HN 0.408 nan 8.190 nan 0.000 0.451 213 M N -0.194 119.300 119.600 -0.176 0.000 2.213 213 M HA -0.120 4.360 4.480 -0.000 0.000 0.263 213 M C 2.352 178.635 176.300 -0.028 0.000 1.062 213 M CA 2.069 57.268 55.300 -0.169 0.000 1.105 213 M CB -1.302 31.091 32.600 -0.345 0.000 1.385 213 M HN 0.433 nan 8.290 nan 0.000 0.417 214 A N 0.091 122.910 122.820 -0.001 0.000 1.929 214 A HA -0.059 4.261 4.320 -0.000 0.000 0.216 214 A C 2.165 179.792 177.584 0.072 0.000 1.176 214 A CA 0.933 53.003 52.037 0.056 0.000 0.628 214 A CB -0.792 18.235 19.000 0.045 0.000 0.816 214 A HN 0.475 nan 8.150 nan 0.000 0.444 215 L N -0.134 121.122 121.223 0.055 0.000 2.456 215 L HA -0.094 4.246 4.340 -0.000 0.000 0.224 215 L C 2.082 179.009 176.870 0.095 0.000 1.148 215 L CA 0.238 55.123 54.840 0.074 0.000 0.825 215 L CB -0.423 41.688 42.059 0.087 0.000 0.937 215 L HN 0.391 nan 8.230 nan 0.000 0.450 216 L N -0.680 120.596 121.223 0.088 0.000 2.093 216 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 216 L C 0.518 177.442 176.870 0.090 0.000 1.085 216 L CA 0.950 55.842 54.840 0.087 0.000 0.755 216 L CB -0.107 41.995 42.059 0.072 0.000 0.904 216 L HN 0.233 nan 8.230 nan 0.000 0.435 217 D N -0.552 119.915 120.400 0.112 0.000 2.752 217 D HA 0.171 4.811 4.640 -0.000 0.000 0.242 217 D C -2.584 173.863 176.300 0.246 0.000 1.295 217 D CA -1.446 52.636 54.000 0.138 0.000 0.846 217 D CB 0.994 41.849 40.800 0.092 0.000 1.454 217 D HN -0.132 nan 8.370 nan 0.000 0.535 218 P HA 0.121 nan 4.420 nan 0.000 0.275 218 P C -0.024 177.405 177.300 0.214 0.000 1.228 218 P CA -0.246 62.967 63.100 0.188 0.000 0.786 218 P CB 0.684 32.436 31.700 0.086 0.000 0.927 219 H N 4.398 123.421 119.070 -0.078 0.000 2.732 219 H HA 0.068 4.624 4.556 -0.000 0.000 0.351 219 H C -1.223 174.001 175.328 -0.174 0.000 1.090 219 H CA -1.280 54.524 56.048 -0.407 0.000 1.431 219 H CB 0.875 30.152 29.762 -0.807 0.000 1.447 219 H HN 0.235 nan 8.280 nan 0.000 0.582 220 P HA -0.135 nan 4.420 nan 0.000 0.220 220 P C 0.814 178.108 177.300 -0.010 0.000 1.144 220 P CA 1.487 64.508 63.100 -0.132 0.000 0.800 220 P CB 0.011 31.600 31.700 -0.185 0.000 0.772 221 A N -0.894 122.037 122.820 0.185 0.000 2.208 221 A HA 0.036 4.356 4.320 -0.000 0.000 0.209 221 A C 1.125 178.693 177.584 -0.027 0.000 1.161 221 A CA -0.010 52.065 52.037 0.064 0.000 0.782 221 A CB -0.936 18.075 19.000 0.018 0.000 0.816 221 A HN 0.175 nan 8.150 nan 0.000 0.477 222 L N 0.705 121.916 121.223 -0.020 0.000 2.385 222 L HA 0.248 4.588 4.340 -0.000 0.000 0.285 222 L C 0.667 177.472 176.870 -0.107 0.000 1.125 222 L CA 0.090 54.886 54.840 -0.073 0.000 0.890 222 L CB 0.182 42.212 42.059 -0.049 0.000 1.251 222 L HN 0.003 nan 8.230 nan 0.000 0.445 223 K N 3.590 123.902 120.400 -0.148 0.000 2.400 223 K HA 0.289 4.609 4.320 -0.000 0.000 0.194 223 K C -0.108 176.283 176.600 -0.348 0.000 1.033 223 K CA 0.325 56.498 56.287 -0.191 0.000 1.021 223 K CB 0.379 32.807 32.500 -0.121 0.000 0.808 223 K HN 0.405 nan 8.250 nan 0.000 0.505 224 V N -0.887 118.793 119.914 -0.390 0.000 3.177 224 V HA 0.644 4.764 4.120 -0.000 0.000 0.287 224 V C -2.127 173.728 176.094 -0.400 0.000 1.465 224 V CA -0.723 61.260 62.300 -0.529 0.000 1.020 224 V CB 2.159 33.487 31.823 -0.825 0.000 1.152 224 V HN 0.128 nan 8.190 nan 0.000 0.448 225 A N 3.659 126.375 122.820 -0.173 0.000 2.515 225 A HA 1.026 5.346 4.320 -0.000 0.000 0.298 225 A C -0.546 177.143 177.584 0.175 0.000 1.059 225 A CA -0.121 51.927 52.037 0.018 0.000 0.698 225 A CB 2.065 21.013 19.000 -0.087 0.000 1.289 225 A HN 2.335 nan 8.150 nan 0.000 0.404 226 A N 2.629 125.578 122.820 0.214 0.000 2.943 226 A HA 0.713 5.033 4.320 -0.000 0.000 0.327 226 A C -3.095 174.415 177.584 -0.123 0.000 1.141 226 A CA -1.341 50.701 52.037 0.008 0.000 0.773 226 A CB 0.338 19.307 19.000 -0.051 0.000 1.143 226 A HN 0.414 nan 8.150 nan 0.000 0.463 227 P HA 0.319 nan 4.420 nan 0.000 0.276 227 P C -0.509 176.775 177.300 -0.026 0.000 1.243 227 P CA 0.410 63.425 63.100 -0.141 0.000 0.768 227 P CB 0.755 32.276 31.700 -0.297 0.000 0.856 228 E N 1.449 121.672 120.200 0.039 0.000 2.158 228 E HA 0.273 4.623 4.350 -0.000 0.000 0.271 228 E C -0.155 176.519 176.600 0.123 0.000 0.911 228 E CA -0.723 55.701 56.400 0.039 0.000 0.767 228 E CB 0.740 30.426 29.700 -0.023 0.000 1.120 228 E HN 0.239 nan 8.360 nan 0.000 0.405 229 S N 2.621 118.416 115.700 0.158 0.000 3.317 229 S HA -0.141 4.329 4.470 -0.000 0.000 0.358 229 S C -2.156 172.631 174.600 0.311 0.000 0.945 229 S CA 0.205 58.553 58.200 0.246 0.000 1.279 229 S CB -1.491 61.852 63.200 0.239 0.000 0.905 229 S HN 0.463 nan 8.310 nan 0.000 0.507 230 P HA 0.271 nan 4.420 nan 0.000 0.276 230 P C -0.130 177.350 177.300 0.299 0.000 1.244 230 P CA -0.649 62.648 63.100 0.329 0.000 0.801 230 P CB 0.561 32.486 31.700 0.374 0.000 1.006 231 M N 1.990 121.755 119.600 0.275 0.000 2.108 231 M HA 0.113 4.592 4.480 -0.000 0.000 0.347 231 M C 0.798 177.272 176.300 0.290 0.000 1.326 231 M CA -0.168 55.231 55.300 0.165 0.000 1.126 231 M CB 0.656 33.246 32.600 -0.017 0.000 1.606 231 M HN 0.113 nan 8.290 nan 0.000 0.462 232 V N 0.381 120.453 119.914 0.263 0.000 2.948 232 V HA 0.150 4.270 4.120 -0.000 0.000 0.234 232 V C 0.090 176.344 176.094 0.268 0.000 1.205 232 V CA 0.756 63.240 62.300 0.307 0.000 1.234 232 V CB 0.543 32.561 31.823 0.325 0.000 1.020 232 V HN 0.736 nan 8.190 nan 0.000 0.491 233 D N 0.026 120.541 120.400 0.192 0.000 2.421 233 D HA 0.342 4.982 4.640 -0.000 0.000 0.254 233 D C 0.951 177.222 176.300 -0.048 0.000 1.238 233 D CA 0.355 54.411 54.000 0.093 0.000 0.919 233 D CB 1.615 42.386 40.800 -0.049 0.000 1.152 233 D HN 0.188 nan 8.370 nan 0.000 0.552 234 G N 1.918 110.779 108.800 0.102 0.000 2.509 234 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 234 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 234 G C 1.104 176.004 174.900 -0.000 0.000 1.124 234 G CA 0.189 45.282 45.100 -0.012 0.000 0.776 234 G HN 0.535 nan 8.290 nan 0.000 0.547 235 W N 0.054 121.183 121.300 -0.285 0.000 2.580 235 W HA 0.225 4.885 4.660 -0.000 0.000 0.287 235 W C 2.466 178.584 176.519 -0.668 0.000 1.175 235 W CA 0.338 57.392 57.345 -0.484 0.000 1.409 235 W CB 0.196 29.262 29.460 -0.657 0.000 1.101 235 W HN -0.032 nan 8.180 nan 0.000 0.558 236 M N -0.349 118.881 119.600 -0.618 0.000 2.086 236 M HA 0.088 4.568 4.480 -0.000 0.000 0.261 236 M C 1.506 176.866 176.300 -1.566 0.000 1.067 236 M CA 1.994 56.489 55.300 -1.341 0.000 1.116 236 M CB -1.439 29.945 32.600 -2.027 0.000 1.348 236 M HN 0.266 nan 8.290 nan 0.000 0.407 237 G N -1.085 106.968 108.800 -1.244 0.000 5.310 237 G HA2 0.103 4.063 3.960 -0.000 0.000 0.203 237 G HA3 0.103 4.063 3.960 -0.000 0.000 0.203 237 G C -0.246 174.385 174.900 -0.448 0.000 0.800 237 G CA -0.399 44.109 45.100 -0.987 0.000 0.754 237 G HN 0.198 nan 8.290 nan 0.000 0.308 238 D N 0.013 120.260 120.400 -0.255 0.000 2.871 238 D HA 0.174 4.814 4.640 -0.000 0.000 0.223 238 D C 0.960 177.167 176.300 -0.155 0.000 1.225 238 D CA -0.302 53.634 54.000 -0.108 0.000 1.188 238 D CB 0.666 41.401 40.800 -0.108 0.000 1.105 238 D HN -0.111 nan 8.370 nan 0.000 0.444 239 D N -0.426 119.700 120.400 -0.458 0.000 2.123 239 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 239 D C 2.210 178.181 176.300 -0.549 0.000 0.976 239 D CA 0.883 54.471 54.000 -0.686 0.000 0.831 239 D CB 0.065 40.082 40.800 -1.305 0.000 0.974 239 D HN 0.406 nan 8.370 nan 0.000 0.469 240 W N -0.197 121.037 121.300 -0.111 0.000 2.481 240 W HA 0.092 4.752 4.660 -0.000 0.000 0.293 240 W C 0.570 176.736 176.519 -0.588 0.000 1.201 240 W CA -0.455 56.737 57.345 -0.254 0.000 1.328 240 W CB 0.040 29.541 29.460 0.068 0.000 1.112 240 W HN -0.207 nan 8.180 nan 0.000 0.546 241 F N -1.652 118.255 119.950 -0.072 0.000 2.643 241 F HA 0.412 4.939 4.527 -0.000 0.000 0.314 241 F C -0.374 175.306 175.800 -0.200 0.000 1.096 241 F CA -1.426 56.433 58.000 -0.235 0.000 0.953 241 F CB 1.207 39.742 39.000 -0.774 0.000 1.345 241 F HN -0.307 nan 8.300 nan 0.000 0.468 242 H N 1.230 120.207 119.070 -0.155 0.000 2.800 242 H HA 0.221 4.777 4.556 -0.000 0.000 0.322 242 H C -1.115 173.955 175.328 -0.431 0.000 0.979 242 H CA -0.896 54.976 56.048 -0.293 0.000 1.277 242 H CB 0.871 30.621 29.762 -0.021 0.000 1.484 242 H HN 0.656 nan 8.280 nan 0.000 0.512 243 Y N 1.854 121.777 120.300 -0.629 0.000 3.108 243 Y HA -0.307 4.243 4.550 -0.000 0.000 0.208 243 Y C 1.582 176.922 175.900 -0.932 0.000 1.245 243 Y CA 1.444 59.080 58.100 -0.773 0.000 1.171 243 Y CB -1.791 36.347 38.460 -0.538 0.000 1.331 243 Y HN 1.154 nan 8.280 nan 0.000 0.534 244 G N -2.054 105.828 108.800 -1.530 0.000 2.234 244 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.260 244 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.260 244 G C 0.380 175.210 174.900 -0.117 0.000 0.987 244 G CA -0.052 44.348 45.100 -1.166 0.000 0.625 244 G HN 1.585 nan 8.290 nan 0.000 0.532 245 A N 0.294 123.098 122.820 -0.026 0.000 2.309 245 A HA 0.664 4.984 4.320 -0.000 0.000 0.290 245 A C -0.122 177.673 177.584 0.352 0.000 1.206 245 A CA -0.391 51.752 52.037 0.175 0.000 0.850 245 A CB 0.288 19.287 19.000 -0.001 0.000 1.118 245 A HN 1.225 nan 8.150 nan 0.000 0.523 246 F N 2.815 122.847 119.950 0.137 0.000 2.484 246 F HA 0.385 4.912 4.527 -0.000 0.000 0.360 246 F C 0.745 176.404 175.800 -0.236 0.000 1.101 246 F CA -0.132 57.750 58.000 -0.196 0.000 1.251 246 F CB 0.691 39.619 39.000 -0.119 0.000 1.132 246 F HN 0.566 nan 8.300 nan 0.000 0.570 247 R N 5.751 125.454 120.500 -1.327 0.000 2.198 247 R HA 0.148 4.488 4.340 -0.000 0.000 0.339 247 R C 0.908 176.151 176.300 -1.762 0.000 1.020 247 R CA -0.331 54.950 56.100 -1.364 0.000 0.864 247 R CB 0.903 30.586 30.300 -1.029 0.000 1.105 247 R HN 0.775 nan 8.270 nan 0.000 0.463 248 Q N 1.376 120.337 119.800 -1.399 0.000 2.364 248 Q HA -0.074 4.266 4.340 -0.000 0.000 0.207 248 Q C 1.734 176.828 176.000 -1.510 0.000 0.970 248 Q CA 1.133 56.151 55.803 -1.310 0.000 0.888 248 Q CB 0.240 28.325 28.738 -1.089 0.000 0.951 248 Q HN 0.871 nan 8.270 nan 0.000 0.469 249 G N 0.823 108.510 108.800 -1.856 0.000 2.559 249 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.216 249 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.216 249 G C 1.400 175.647 174.900 -1.088 0.000 1.126 249 G CA 0.630 44.548 45.100 -1.971 0.000 0.778 249 G HN 0.384 nan 8.290 nan 0.000 0.543 250 A N 0.518 122.715 122.820 -1.038 0.000 2.015 250 A HA 0.156 4.476 4.320 -0.000 0.000 0.219 250 A C 1.964 178.879 177.584 -1.116 0.000 1.163 250 A CA 0.901 52.409 52.037 -0.882 0.000 0.646 250 A CB -0.416 18.122 19.000 -0.771 0.000 0.806 250 A HN 0.255 nan 8.150 nan 0.000 0.448 251 F N 0.845 120.383 119.950 -0.686 0.000 2.102 251 F HA -0.152 4.375 4.527 -0.000 0.000 0.298 251 F C 2.112 177.746 175.800 -0.277 0.000 1.105 251 F CA 1.271 59.009 58.000 -0.437 0.000 1.239 251 F CB -0.803 38.109 39.000 -0.146 0.000 0.991 251 F HN 0.219 nan 8.300 nan 0.000 0.474 252 D N -1.138 119.223 120.400 -0.065 0.000 2.123 252 D HA -0.248 4.392 4.640 -0.000 0.000 0.196 252 D C 2.147 178.445 176.300 -0.003 0.000 0.992 252 D CA 1.291 55.272 54.000 -0.032 0.000 0.833 252 D CB -0.772 39.982 40.800 -0.076 0.000 0.954 252 D HN 0.340 nan 8.370 nan 0.000 0.455 253 Y N 0.478 120.679 120.300 -0.164 0.000 2.181 253 Y HA -0.218 4.332 4.550 -0.000 0.000 0.288 253 Y C 2.215 178.225 175.900 0.183 0.000 1.146 253 Y CA 1.531 59.629 58.100 -0.003 0.000 1.164 253 Y CB -0.475 37.990 38.460 0.008 0.000 0.982 253 Y HN -0.064 nan 8.280 nan 0.000 0.515 254 F N -1.642 118.417 119.950 0.181 0.000 2.134 254 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 254 F C 2.221 177.993 175.800 -0.047 0.000 1.097 254 F CA 0.792 58.848 58.000 0.093 0.000 1.264 254 F CB -0.462 38.598 39.000 0.100 0.000 1.001 254 F HN -0.116 nan 8.300 nan 0.000 0.479 255 V N -1.165 118.788 119.914 0.065 0.000 2.548 255 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 255 V C 2.335 178.458 176.094 0.050 0.000 1.055 255 V CA 1.858 64.142 62.300 -0.027 0.000 1.065 255 V CB -0.414 31.363 31.823 -0.077 0.000 0.681 255 V HN 0.318 nan 8.190 nan 0.000 0.462 256 S N -0.856 114.847 115.700 0.004 0.000 2.371 256 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 256 S C 1.960 176.525 174.600 -0.058 0.000 1.029 256 S CA 1.213 59.398 58.200 -0.025 0.000 0.978 256 S CB -0.070 63.103 63.200 -0.046 0.000 0.833 256 S HN 0.567 nan 8.310 nan 0.000 0.466 257 Q N -0.430 119.299 119.800 -0.118 0.000 2.391 257 Q HA 0.301 4.641 4.340 -0.000 0.000 0.211 257 Q C 1.147 177.113 176.000 -0.057 0.000 0.908 257 Q CA 0.522 56.230 55.803 -0.159 0.000 0.920 257 Q CB 0.180 28.716 28.738 -0.336 0.000 1.056 257 Q HN 0.570 nan 8.270 nan 0.000 0.523 258 M N -0.784 118.889 119.600 0.121 0.000 2.412 258 M HA 0.121 4.601 4.480 -0.000 0.000 0.315 258 M C 1.010 177.463 176.300 0.255 0.000 1.092 258 M CA 0.096 55.538 55.300 0.236 0.000 0.974 258 M CB 0.786 33.618 32.600 0.386 0.000 1.437 258 M HN -0.125 nan 8.290 nan 0.000 0.524 259 T N 1.086 115.769 114.554 0.214 0.000 2.942 259 T HA 0.207 4.557 4.350 -0.000 0.000 0.265 259 T C 0.707 175.411 174.700 0.007 0.000 1.062 259 T CA 0.987 63.186 62.100 0.166 0.000 1.139 259 T CB 0.167 69.136 68.868 0.169 0.000 0.883 259 T HN 0.474 nan 8.240 nan 0.000 0.468 260 A N -0.237 122.556 122.820 -0.046 0.000 2.602 260 A HA 0.687 5.007 4.320 -0.000 0.000 0.290 260 A C 0.842 178.310 177.584 -0.193 0.000 1.114 260 A CA -0.671 51.303 52.037 -0.105 0.000 0.683 260 A CB 0.867 19.802 19.000 -0.108 0.000 1.281 260 A HN 0.056 nan 8.150 nan 0.000 0.416 261 R N 0.013 120.393 120.500 -0.200 0.000 2.083 261 R HA -0.101 4.239 4.340 -0.000 0.000 0.237 261 R C 1.252 177.229 176.300 -0.538 0.000 1.137 261 R CA 2.334 58.268 56.100 -0.277 0.000 0.951 261 R CB -0.442 29.749 30.300 -0.182 0.000 0.851 261 R HN 0.884 nan 8.270 nan 0.000 0.434 262 G N -1.053 107.432 108.800 -0.524 0.000 2.783 262 G HA2 0.358 4.318 3.960 -0.000 0.000 0.182 262 G HA3 0.358 4.318 3.960 -0.000 0.000 0.182 262 G C -0.422 174.054 174.900 -0.706 0.000 1.516 262 G CA -0.210 44.369 45.100 -0.867 0.000 1.079 262 G HN 0.425 nan 8.290 nan 0.000 0.573 263 G N -1.206 107.452 108.800 -0.238 0.000 2.491 263 G HA2 0.513 4.473 3.960 -0.000 0.000 0.242 263 G HA3 0.513 4.473 3.960 -0.000 0.000 0.242 263 G C 0.139 175.013 174.900 -0.043 0.000 1.266 263 G CA 0.584 45.684 45.100 -0.000 0.000 0.844 263 G HN 0.845 nan 8.290 nan 0.000 0.571 264 G N 0.229 109.020 108.800 -0.014 0.000 3.140 264 G HA2 0.600 4.560 3.960 -0.000 0.000 0.271 264 G HA3 0.600 4.560 3.960 -0.000 0.000 0.271 264 G C -0.757 174.150 174.900 0.012 0.000 1.370 264 G CA -0.819 44.278 45.100 -0.004 0.000 1.014 264 G HN 0.590 nan 8.290 nan 0.000 0.541 265 N N -0.567 118.142 118.700 0.016 0.000 2.453 265 N HA 0.373 5.113 4.740 -0.000 0.000 0.290 265 N C -1.215 174.300 175.510 0.008 0.000 1.250 265 N CA -0.493 52.564 53.050 0.011 0.000 0.815 265 N CB 2.185 40.676 38.487 0.008 0.000 1.381 265 N HN 0.356 nan 8.380 nan 0.000 0.510 266 D N 0.365 120.767 120.400 0.004 0.000 2.377 266 D HA 0.325 4.964 4.640 -0.000 0.000 0.245 266 D C 0.214 176.514 176.300 -0.000 0.000 1.196 266 D CA 0.001 54.004 54.000 0.004 0.000 0.962 266 D CB 0.948 41.751 40.800 0.005 0.000 1.127 266 D HN 0.293 nan 8.370 nan 0.000 0.471 267 I N 2.105 122.680 120.570 0.007 0.000 2.416 267 I HA 0.155 4.325 4.170 -0.000 0.000 0.288 267 I C -1.883 174.226 176.117 -0.014 0.000 1.051 267 I CA -1.668 59.624 61.300 -0.013 0.000 1.375 267 I CB 0.708 38.714 38.000 0.011 0.000 1.407 267 I HN 0.067 nan 8.210 nan 0.000 0.516 268 P HA 0.151 nan 4.420 nan 0.000 0.265 268 P C -0.703 176.568 177.300 -0.049 0.000 1.193 268 P CA -0.155 62.920 63.100 -0.042 0.000 0.765 268 P CB 0.496 32.163 31.700 -0.055 0.000 0.823 269 R N 2.187 122.671 120.500 -0.027 0.000 2.787 269 R HA 0.364 4.704 4.340 -0.000 0.000 0.271 269 R C 1.012 177.295 176.300 -0.028 0.000 0.993 269 R CA -0.883 55.206 56.100 -0.018 0.000 0.993 269 R CB 1.448 31.756 30.300 0.012 0.000 1.155 269 R HN 0.338 nan 8.270 nan 0.000 0.486 270 R N 0.388 120.872 120.500 -0.027 0.000 2.064 270 R HA 0.090 4.429 4.340 -0.000 0.000 0.221 270 R C 0.075 176.372 176.300 -0.005 0.000 1.136 270 R CA 1.448 57.534 56.100 -0.023 0.000 0.980 270 R CB 0.056 30.339 30.300 -0.027 0.000 0.876 270 R HN 0.611 nan 8.270 nan 0.000 0.437 271 D N -1.429 118.978 120.400 0.011 0.000 2.299 271 D HA 0.292 4.932 4.640 -0.000 0.000 0.243 271 D C -0.002 176.306 176.300 0.013 0.000 0.982 271 D CA 0.204 54.215 54.000 0.019 0.000 0.924 271 D CB 2.188 43.014 40.800 0.044 0.000 1.238 271 D HN 0.254 nan 8.370 nan 0.000 0.484 272 A N 2.068 124.891 122.820 0.005 0.000 2.066 272 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 272 A C 0.773 178.345 177.584 -0.020 0.000 1.157 272 A CA 0.884 52.913 52.037 -0.013 0.000 0.670 272 A CB 0.060 19.051 19.000 -0.015 0.000 0.804 272 A HN 0.488 nan 8.150 nan 0.000 0.453 273 D N -0.580 119.830 120.400 0.018 0.000 2.280 273 D HA 0.289 4.929 4.640 -0.000 0.000 0.236 273 D C -0.233 176.122 176.300 0.092 0.000 1.082 273 D CA -0.504 53.522 54.000 0.044 0.000 0.834 273 D CB 0.923 41.775 40.800 0.087 0.000 1.100 273 D HN -0.012 nan 8.370 nan 0.000 0.486 274 D N 2.367 122.795 120.400 0.047 0.000 2.312 274 D HA -0.154 4.486 4.640 -0.000 0.000 0.211 274 D C 1.306 177.760 176.300 0.258 0.000 0.964 274 D CA 0.527 54.612 54.000 0.141 0.000 0.877 274 D CB -0.043 40.761 40.800 0.007 0.000 0.924 274 D HN 0.560 nan 8.370 nan 0.000 0.515 275 Y N 1.542 121.915 120.300 0.122 0.000 2.128 275 Y HA -0.263 4.287 4.550 -0.000 0.000 0.284 275 Y C 2.259 178.361 175.900 0.336 0.000 1.154 275 Y CA 1.872 60.121 58.100 0.249 0.000 1.149 275 Y CB -0.407 38.191 38.460 0.230 0.000 0.976 275 Y HN -0.104 nan 8.280 nan 0.000 0.505 276 T N 0.783 115.591 114.554 0.423 0.000 2.701 276 T HA -0.176 4.174 4.350 -0.000 0.000 0.263 276 T C 1.657 176.483 174.700 0.210 0.000 1.040 276 T CA 1.449 63.722 62.100 0.288 0.000 1.147 276 T CB -0.377 68.612 68.868 0.202 0.000 0.865 276 T HN 0.379 nan 8.240 nan 0.000 0.426 277 N N 0.937 119.746 118.700 0.182 0.000 2.061 277 N HA -0.061 4.679 4.740 -0.000 0.000 0.193 277 N C 1.612 177.175 175.510 0.089 0.000 1.030 277 N CA 1.294 54.407 53.050 0.106 0.000 0.856 277 N CB -0.568 37.957 38.487 0.063 0.000 1.023 277 N HN 0.367 nan 8.380 nan 0.000 0.424 278 F N 0.510 120.541 119.950 0.135 0.000 2.259 278 F HA 0.008 4.535 4.527 -0.000 0.000 0.298 278 F C 2.140 178.109 175.800 0.282 0.000 1.088 278 F CA 0.155 58.247 58.000 0.154 0.000 1.358 278 F CB -0.319 38.633 39.000 -0.080 0.000 1.040 278 F HN -0.017 nan 8.300 nan 0.000 0.505 279 L N 0.510 121.981 121.223 0.413 0.000 2.093 279 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 279 L C 2.053 178.952 176.870 0.047 0.000 1.085 279 L CA 1.842 56.755 54.840 0.121 0.000 0.755 279 L CB -0.670 41.358 42.059 -0.051 0.000 0.904 279 L HN -0.037 nan 8.230 nan 0.000 0.435 280 K N -0.856 119.594 120.400 0.083 0.000 2.155 280 K HA 0.011 4.331 4.320 -0.000 0.000 0.203 280 K C 1.963 178.588 176.600 0.042 0.000 1.052 280 K CA 0.994 57.306 56.287 0.042 0.000 0.948 280 K CB -0.182 32.343 32.500 0.043 0.000 0.728 280 K HN 0.418 nan 8.250 nan 0.000 0.448 281 A N 0.811 123.684 122.820 0.088 0.000 2.014 281 A HA 0.135 4.455 4.320 -0.000 0.000 0.218 281 A C 1.432 179.084 177.584 0.112 0.000 1.163 281 A CA 1.532 53.626 52.037 0.094 0.000 0.652 281 A CB -0.397 18.707 19.000 0.175 0.000 0.808 281 A HN 0.434 nan 8.150 nan 0.000 0.449 282 G N -0.775 108.089 108.800 0.108 0.000 3.076 282 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.256 282 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.256 282 G C 0.684 175.694 174.900 0.182 0.000 1.589 282 G CA 0.750 45.878 45.100 0.046 0.000 1.044 282 G HN 1.707 nan 8.290 nan 0.000 0.563 283 S N 1.329 117.205 115.700 0.293 0.000 2.645 283 S HA 0.727 5.197 4.470 -0.000 0.000 0.266 283 S C 1.666 176.553 174.600 0.479 0.000 1.258 283 S CA 0.626 59.081 58.200 0.424 0.000 0.990 283 S CB 1.569 65.018 63.200 0.415 0.000 0.967 283 S HN 2.155 nan 8.310 nan 0.000 0.556 284 A N 1.350 124.523 122.820 0.588 0.000 1.898 284 A HA 0.162 4.482 4.320 -0.000 0.000 0.216 284 A C 2.158 180.111 177.584 0.614 0.000 1.181 284 A CA 1.558 54.045 52.037 0.750 0.000 0.620 284 A CB -1.767 17.771 19.000 0.896 0.000 0.819 284 A HN 1.127 nan 8.150 nan 0.000 0.442 285 G N -0.999 108.160 108.800 0.598 0.000 2.422 285 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 285 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 285 G C 1.890 176.944 174.900 0.257 0.000 1.140 285 G CA 1.433 46.837 45.100 0.506 0.000 0.775 285 G HN 0.564 nan 8.290 nan 0.000 0.545 286 S N -0.305 115.543 115.700 0.247 0.000 2.368 286 S HA -0.103 4.367 4.470 -0.000 0.000 0.225 286 S C 2.060 176.678 174.600 0.030 0.000 1.030 286 S CA 1.335 59.614 58.200 0.132 0.000 0.999 286 S CB -0.412 62.883 63.200 0.158 0.000 0.844 286 S HN 0.366 nan 8.310 nan 0.000 0.459 287 F N 2.142 122.040 119.950 -0.086 0.000 2.134 287 F HA 0.046 4.573 4.527 -0.000 0.000 0.299 287 F C 2.301 177.795 175.800 -0.511 0.000 1.097 287 F CA 1.226 59.059 58.000 -0.278 0.000 1.264 287 F CB -0.705 38.134 39.000 -0.267 0.000 1.001 287 F HN 0.290 nan 8.300 nan 0.000 0.479 288 A N -0.411 122.113 122.820 -0.493 0.000 1.877 288 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 288 A C 2.183 179.490 177.584 -0.462 0.000 1.186 288 A CA 2.344 53.865 52.037 -0.859 0.000 0.620 288 A CB -1.445 16.871 19.000 -1.139 0.000 0.822 288 A HN 0.429 nan 8.150 nan 0.000 0.443 289 T N 0.014 114.432 114.554 -0.226 0.000 2.708 289 T HA -0.196 4.154 4.350 -0.000 0.000 0.266 289 T C 2.071 176.649 174.700 -0.203 0.000 1.037 289 T CA 1.799 63.817 62.100 -0.137 0.000 1.146 289 T CB -0.316 68.520 68.868 -0.052 0.000 0.865 289 T HN 0.619 nan 8.240 nan 0.000 0.435 290 Q N 0.470 120.103 119.800 -0.278 0.000 2.135 290 Q HA -0.034 4.306 4.340 -0.000 0.000 0.204 290 Q C 2.471 178.244 176.000 -0.379 0.000 0.981 290 Q CA 1.391 57.004 55.803 -0.317 0.000 0.856 290 Q CB -0.247 28.263 28.738 -0.380 0.000 0.902 290 Q HN 0.542 nan 8.270 nan 0.000 0.425 291 A N -0.322 122.187 122.820 -0.518 0.000 2.206 291 A HA 0.226 4.546 4.320 -0.000 0.000 0.211 291 A C 1.531 178.962 177.584 -0.255 0.000 1.158 291 A CA 0.894 52.660 52.037 -0.452 0.000 0.761 291 A CB -0.250 18.398 19.000 -0.587 0.000 0.801 291 A HN 0.483 nan 8.150 nan 0.000 0.473 292 G N -1.391 107.293 108.800 -0.194 0.000 2.141 292 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.242 292 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.242 292 G C 0.704 175.627 174.900 0.038 0.000 0.982 292 G CA 0.395 45.461 45.100 -0.056 0.000 0.662 292 G HN 0.422 nan 8.290 nan 0.000 0.527 293 L N 0.316 121.478 121.223 -0.103 0.000 2.362 293 L HA 0.064 4.404 4.340 -0.000 0.000 0.219 293 L C 2.125 179.158 176.870 0.270 0.000 1.134 293 L CA 1.100 55.902 54.840 -0.063 0.000 0.807 293 L CB -0.154 41.621 42.059 -0.472 0.000 0.927 293 L HN 0.091 nan 8.230 nan 0.000 0.447 294 D N 0.021 120.546 120.400 0.207 0.000 2.351 294 D HA -0.200 4.440 4.640 -0.000 0.000 0.216 294 D C 2.005 178.409 176.300 0.173 0.000 0.968 294 D CA 0.838 54.974 54.000 0.226 0.000 0.899 294 D CB 0.027 40.874 40.800 0.079 0.000 0.907 294 D HN 0.594 nan 8.370 nan 0.000 0.514 295 Q N -0.629 119.295 119.800 0.208 0.000 2.360 295 Q HA -0.046 4.294 4.340 -0.000 0.000 0.202 295 Q C -0.186 175.854 176.000 0.066 0.000 0.915 295 Q CA -0.014 55.847 55.803 0.096 0.000 0.943 295 Q CB -0.095 28.658 28.738 0.025 0.000 1.064 295 Q HN 0.259 nan 8.270 nan 0.000 0.511 296 Y N 1.726 122.080 120.300 0.090 0.000 2.383 296 Y HA 0.228 4.778 4.550 -0.000 0.000 0.344 296 Y C -1.563 174.388 175.900 0.085 0.000 0.986 296 Y CA -2.542 55.620 58.100 0.102 0.000 1.175 296 Y CB 1.389 39.938 38.460 0.148 0.000 1.152 296 Y HN 0.053 nan 8.280 nan 0.000 0.511 297 P HA -0.258 nan 4.420 nan 0.000 0.216 297 P C 1.524 178.866 177.300 0.069 0.000 1.150 297 P CA 1.405 64.544 63.100 0.065 0.000 0.843 297 P CB 0.055 31.782 31.700 0.046 0.000 0.787 298 F N -1.021 118.916 119.950 -0.022 0.000 2.186 298 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 298 F C 2.206 177.919 175.800 -0.145 0.000 1.090 298 F CA 1.151 59.082 58.000 -0.116 0.000 1.307 298 F CB -0.720 38.148 39.000 -0.221 0.000 1.019 298 F HN 0.004 nan 8.300 nan 0.000 0.489 299 W N 1.166 122.310 121.300 -0.261 0.000 2.436 299 W HA -0.176 4.484 4.660 -0.000 0.000 0.284 299 W C 1.883 178.273 176.519 -0.214 0.000 1.225 299 W CA 1.285 58.474 57.345 -0.261 0.000 1.271 299 W CB -0.298 29.137 29.460 -0.042 0.000 1.114 299 W HN 0.157 nan 8.180 nan 0.000 0.559 300 Q N 0.330 119.922 119.800 -0.346 0.000 2.050 300 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 300 Q C 2.393 178.100 176.000 -0.489 0.000 0.980 300 Q CA 1.968 57.505 55.803 -0.444 0.000 0.840 300 Q CB -0.309 28.292 28.738 -0.229 0.000 0.898 300 Q HN 0.282 nan 8.270 nan 0.000 0.424 301 R N 0.203 120.420 120.500 -0.471 0.000 2.066 301 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 301 R C 2.326 178.264 176.300 -0.603 0.000 1.131 301 R CA 1.483 57.232 56.100 -0.586 0.000 0.955 301 R CB -0.436 29.477 30.300 -0.645 0.000 0.851 301 R HN 0.323 nan 8.270 nan 0.000 0.432 302 M N 0.450 119.698 119.600 -0.586 0.000 2.108 302 M HA -0.225 4.255 4.480 -0.000 0.000 0.261 302 M C 2.432 178.599 176.300 -0.222 0.000 1.066 302 M CA 1.749 56.938 55.300 -0.184 0.000 1.107 302 M CB -0.336 32.198 32.600 -0.110 0.000 1.356 302 M HN 0.232 nan 8.290 nan 0.000 0.406 303 H N 0.006 118.526 119.070 -0.916 0.000 2.421 303 H HA -0.062 4.494 4.556 -0.000 0.000 0.298 303 H C 1.608 176.698 175.328 -0.397 0.000 1.087 303 H CA 1.787 57.236 56.048 -0.999 0.000 1.330 303 H CB 0.059 28.956 29.762 -1.443 0.000 1.388 303 H HN 0.536 nan 8.280 nan 0.000 0.526 304 A N 0.335 122.921 122.820 -0.390 0.000 2.167 304 A HA -0.052 4.268 4.320 -0.000 0.000 0.214 304 A C 0.438 177.654 177.584 -0.613 0.000 1.151 304 A CA 0.443 52.186 52.037 -0.489 0.000 0.735 304 A CB -0.108 18.520 19.000 -0.620 0.000 0.802 304 A HN 0.482 nan 8.150 nan 0.000 0.467 305 H N -0.673 118.349 119.070 -0.079 0.000 2.386 305 H HA 0.190 4.746 4.556 -0.000 0.000 0.232 305 H C -2.104 173.491 175.328 0.444 0.000 1.416 305 H CA -1.433 54.679 56.048 0.106 0.000 1.285 305 H CB 0.505 30.232 29.762 -0.059 0.000 1.625 305 H HN 0.355 nan 8.280 nan 0.000 0.521 306 P HA -0.009 nan 4.420 nan 0.000 0.226 306 P C 0.761 178.321 177.300 0.433 0.000 1.153 306 P CA 0.482 63.859 63.100 0.461 0.000 0.777 306 P CB 0.652 32.501 31.700 0.247 0.000 0.794 307 A N -0.476 122.567 122.820 0.371 0.000 2.256 307 A HA 0.305 4.625 4.320 -0.000 0.000 0.318 307 A C -0.642 176.797 177.584 -0.242 0.000 1.103 307 A CA -0.556 51.601 52.037 0.199 0.000 0.860 307 A CB -0.111 19.055 19.000 0.276 0.000 1.182 307 A HN 0.003 nan 8.150 nan 0.000 0.501 308 Y N 2.180 121.831 120.300 -1.082 0.000 2.724 308 Y HA 0.197 4.747 4.550 -0.000 0.000 0.354 308 Y C 0.169 175.830 175.900 -0.399 0.000 1.270 308 Y CA -1.042 56.320 58.100 -1.229 0.000 1.902 308 Y CB -0.936 36.496 38.460 -1.713 0.000 1.981 308 Y HN 0.769 nan 8.280 nan 0.000 0.428 309 D N -0.005 120.264 120.400 -0.219 0.000 2.507 309 D HA 0.287 4.927 4.640 -0.000 0.000 0.280 309 D C 1.543 177.693 176.300 -0.251 0.000 1.219 309 D CA 0.032 53.942 54.000 -0.151 0.000 1.085 309 D CB 0.027 40.831 40.800 0.007 0.000 1.134 309 D HN 0.210 nan 8.370 nan 0.000 0.583 310 A N -0.767 121.945 122.820 -0.181 0.000 1.948 310 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 310 A C 2.011 179.438 177.584 -0.262 0.000 1.177 310 A CA 1.669 53.589 52.037 -0.195 0.000 0.636 310 A CB -1.300 17.626 19.000 -0.123 0.000 0.815 310 A HN 0.544 nan 8.150 nan 0.000 0.449 311 F N -1.004 118.620 119.950 -0.544 0.000 2.095 311 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 311 F C 1.918 177.324 175.800 -0.657 0.000 1.104 311 F CA 1.918 59.464 58.000 -0.757 0.000 1.232 311 F CB -0.421 37.748 39.000 -1.384 0.000 0.987 311 F HN 0.426 nan 8.300 nan 0.000 0.475 312 W N 0.111 121.196 121.300 -0.359 0.000 2.539 312 W HA 0.012 4.672 4.660 -0.000 0.000 0.281 312 W C 2.514 178.751 176.519 -0.471 0.000 1.220 312 W CA 0.543 57.672 57.345 -0.360 0.000 1.332 312 W CB -0.718 28.590 29.460 -0.253 0.000 1.095 312 W HN -0.062 nan 8.180 nan 0.000 0.571 313 Q N 0.000 119.497 119.800 -0.505 0.000 2.135 313 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 313 Q C 2.324 178.213 176.000 -0.184 0.000 0.981 313 Q CA 1.512 57.044 55.803 -0.452 0.000 0.856 313 Q CB -0.785 27.695 28.738 -0.430 0.000 0.902 313 Q HN 0.394 nan 8.270 nan 0.000 0.425 314 G N 0.004 108.685 108.800 -0.198 0.000 2.776 314 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.209 314 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.209 314 G C 0.793 175.638 174.900 -0.092 0.000 1.145 314 G CA 0.079 45.096 45.100 -0.138 0.000 0.791 314 G HN 0.299 nan 8.290 nan 0.000 0.530 315 Q N -0.605 119.163 119.800 -0.053 0.000 2.149 315 Q HA 0.342 4.682 4.340 -0.000 0.000 0.221 315 Q C 0.704 176.810 176.000 0.176 0.000 0.807 315 Q CA -0.346 55.496 55.803 0.065 0.000 1.000 315 Q CB 1.369 30.140 28.738 0.054 0.000 1.157 315 Q HN 0.288 nan 8.270 nan 0.000 0.487 316 A N 1.498 124.411 122.820 0.154 0.000 2.805 316 A HA 0.199 4.519 4.320 -0.000 0.000 0.301 316 A C 0.998 178.693 177.584 0.185 0.000 1.557 316 A CA -0.092 52.069 52.037 0.207 0.000 1.254 316 A CB -0.397 18.735 19.000 0.220 0.000 1.114 316 A HN 0.397 nan 8.150 nan 0.000 0.553 317 L N 0.874 122.223 121.223 0.209 0.000 2.191 317 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 317 L C 2.201 179.174 176.870 0.171 0.000 1.103 317 L CA 1.336 56.288 54.840 0.187 0.000 0.769 317 L CB -0.534 41.654 42.059 0.215 0.000 0.908 317 L HN 0.769 nan 8.230 nan 0.000 0.438 318 D N 0.177 120.688 120.400 0.184 0.000 2.104 318 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 318 D C 1.830 178.197 176.300 0.112 0.000 0.994 318 D CA 1.263 55.343 54.000 0.133 0.000 0.830 318 D CB -0.359 40.535 40.800 0.157 0.000 0.959 318 D HN 0.175 nan 8.370 nan 0.000 0.452 319 K N 0.208 120.689 120.400 0.135 0.000 2.025 319 K HA -0.020 4.300 4.320 -0.000 0.000 0.207 319 K C 2.326 178.979 176.600 0.087 0.000 1.049 319 K CA 0.347 56.699 56.287 0.109 0.000 0.933 319 K CB -0.354 32.217 32.500 0.119 0.000 0.714 319 K HN 0.269 nan 8.250 nan 0.000 0.438 320 I N 1.146 121.772 120.570 0.094 0.000 2.226 320 I HA -0.227 3.943 4.170 -0.000 0.000 0.245 320 I C 2.399 178.567 176.117 0.085 0.000 1.100 320 I CA 0.829 62.178 61.300 0.081 0.000 1.374 320 I CB -0.989 37.061 38.000 0.083 0.000 1.057 320 I HN 0.051 nan 8.210 nan 0.000 0.413 321 L N 1.426 122.711 121.223 0.103 0.000 2.093 321 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 321 L C 2.547 179.471 176.870 0.091 0.000 1.085 321 L CA 1.889 56.798 54.840 0.116 0.000 0.755 321 L CB -0.823 41.335 42.059 0.166 0.000 0.904 321 L HN 0.185 nan 8.230 nan 0.000 0.435 322 A N -1.359 121.501 122.820 0.066 0.000 1.972 322 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 322 A C 2.165 179.774 177.584 0.042 0.000 1.169 322 A CA 1.644 53.705 52.037 0.041 0.000 0.635 322 A CB -0.440 18.574 19.000 0.024 0.000 0.810 322 A HN 0.640 nan 8.150 nan 0.000 0.446 323 Q N -1.087 118.742 119.800 0.049 0.000 2.230 323 Q HA -0.043 4.297 4.340 -0.000 0.000 0.202 323 Q C 2.029 178.057 176.000 0.046 0.000 0.963 323 Q CA 0.733 56.562 55.803 0.044 0.000 0.866 323 Q CB -0.013 28.752 28.738 0.044 0.000 0.931 323 Q HN 0.426 nan 8.270 nan 0.000 0.452 324 R N 0.909 121.444 120.500 0.057 0.000 2.161 324 R HA 0.059 4.399 4.340 -0.000 0.000 0.213 324 R C 0.115 176.450 176.300 0.059 0.000 1.055 324 R CA 0.327 56.462 56.100 0.059 0.000 0.996 324 R CB -0.027 30.316 30.300 0.071 0.000 0.901 324 R HN 0.146 nan 8.270 nan 0.000 0.456 325 K N 1.399 121.836 120.400 0.063 0.000 4.007 325 K HA -0.118 4.202 4.320 -0.000 0.000 0.279 325 K C -2.312 174.329 176.600 0.068 0.000 0.919 325 K CA 0.101 56.425 56.287 0.061 0.000 0.800 325 K CB -1.064 31.462 32.500 0.044 0.000 1.572 325 K HN 0.266 nan 8.250 nan 0.000 0.443 326 P HA -0.020 nan 4.420 nan 0.000 0.272 326 P C 0.593 177.934 177.300 0.068 0.000 1.223 326 P CA 0.068 63.216 63.100 0.080 0.000 0.784 326 P CB 0.923 32.684 31.700 0.102 0.000 0.923 327 T N -2.513 112.066 114.554 0.043 0.000 3.134 327 T HA 0.184 4.534 4.350 -0.000 0.000 0.260 327 T C 0.476 175.168 174.700 -0.014 0.000 1.027 327 T CA -0.281 61.835 62.100 0.026 0.000 0.913 327 T CB -0.453 68.426 68.868 0.019 0.000 1.046 327 T HN 0.075 nan 8.240 nan 0.000 0.553 328 V N 3.768 123.670 119.914 -0.020 0.000 2.555 328 V HA 0.302 4.422 4.120 -0.000 0.000 0.286 328 V C -2.185 173.847 176.094 -0.105 0.000 1.044 328 V CA -2.001 60.242 62.300 -0.096 0.000 1.026 328 V CB 0.853 32.627 31.823 -0.081 0.000 0.981 328 V HN 0.278 nan 8.190 nan 0.000 0.480 329 P HA 0.139 nan 4.420 nan 0.000 0.263 329 P C -0.536 176.803 177.300 0.064 0.000 1.195 329 P CA 0.531 63.536 63.100 -0.158 0.000 0.762 329 P CB 0.274 31.516 31.700 -0.762 0.000 0.799 330 M N 3.247 122.983 119.600 0.225 0.000 2.465 330 M HA 0.445 4.925 4.480 -0.000 0.000 0.316 330 M C -0.768 175.566 176.300 0.056 0.000 1.121 330 M CA -0.877 54.479 55.300 0.093 0.000 0.934 330 M CB 2.047 34.640 32.600 -0.011 0.000 1.692 330 M HN 0.076 nan 8.290 nan 0.000 0.444 331 L N 2.937 124.091 121.223 -0.114 0.000 2.353 331 L HA 0.514 4.854 4.340 -0.000 0.000 0.270 331 L C -2.013 174.720 176.870 -0.228 0.000 1.003 331 L CA -0.001 54.725 54.840 -0.189 0.000 0.862 331 L CB 0.739 42.676 42.059 -0.204 0.000 1.221 331 L HN 0.615 nan 8.230 nan 0.000 0.430 332 W N 4.472 125.748 121.300 -0.040 0.000 2.338 332 W HA 0.560 5.220 4.660 -0.000 0.000 0.307 332 W C 0.484 176.916 176.519 -0.144 0.000 1.167 332 W CA -0.174 57.150 57.345 -0.035 0.000 1.208 332 W CB 1.003 30.489 29.460 0.043 0.000 1.228 332 W HN 0.391 nan 8.180 nan 0.000 0.499 333 E N 3.738 123.992 120.200 0.090 0.000 2.317 333 E HA 0.412 4.762 4.350 -0.000 0.000 0.270 333 E C -1.151 175.486 176.600 0.062 0.000 0.885 333 E CA -0.691 55.695 56.400 -0.023 0.000 0.760 333 E CB 2.234 31.834 29.700 -0.167 0.000 1.227 333 E HN 0.683 nan 8.360 nan 0.000 0.434 334 Q N 1.145 120.978 119.800 0.055 0.000 2.578 334 Q HA 0.614 4.954 4.340 -0.000 0.000 0.284 334 Q C -0.800 175.269 176.000 0.114 0.000 0.960 334 Q CA -1.142 54.726 55.803 0.108 0.000 0.809 334 Q CB 0.753 29.547 28.738 0.093 0.000 1.462 334 Q HN 0.476 nan 8.270 nan 0.000 0.392 335 G N 0.912 109.819 108.800 0.178 0.000 2.476 335 G HA2 0.387 4.347 3.960 -0.000 0.000 0.269 335 G HA3 0.387 4.347 3.960 -0.000 0.000 0.269 335 G C 0.362 175.205 174.900 -0.095 0.000 1.195 335 G CA -0.846 44.326 45.100 0.120 0.000 0.843 335 G HN 0.640 nan 8.290 nan 0.000 0.545 336 L N 0.295 121.323 121.223 -0.326 0.000 2.141 336 L HA 0.004 4.344 4.340 -0.000 0.000 0.209 336 L C 1.086 177.636 176.870 -0.533 0.000 1.094 336 L CA 0.779 55.292 54.840 -0.545 0.000 0.763 336 L CB 0.011 41.518 42.059 -0.920 0.000 0.908 336 L HN 0.546 nan 8.230 nan 0.000 0.437 337 W N 0.288 121.520 121.300 -0.113 0.000 2.164 337 W HA 0.205 4.865 4.660 -0.000 0.000 0.370 337 W C 0.005 176.463 176.519 -0.103 0.000 0.747 337 W CA -1.020 56.249 57.345 -0.127 0.000 2.688 337 W CB -0.099 29.277 29.460 -0.140 0.000 1.826 337 W HN -0.054 nan 8.180 nan 0.000 0.721 338 D N 2.381 122.846 120.400 0.109 0.000 2.346 338 D HA -0.048 4.592 4.640 -0.000 0.000 0.260 338 D C 1.526 177.855 176.300 0.047 0.000 1.252 338 D CA 0.526 54.608 54.000 0.137 0.000 0.895 338 D CB 1.120 42.026 40.800 0.177 0.000 1.097 338 D HN 0.154 nan 8.370 nan 0.000 0.489 339 Q N 2.833 122.605 119.800 -0.047 0.000 2.403 339 Q HA -0.017 4.323 4.340 -0.000 0.000 0.203 339 Q C 0.170 176.135 176.000 -0.058 0.000 0.932 339 Q CA 0.819 56.506 55.803 -0.194 0.000 0.945 339 Q CB 0.296 28.704 28.738 -0.551 0.000 1.045 339 Q HN 0.597 nan 8.270 nan 0.000 0.511 340 E N -0.029 120.128 120.200 -0.072 0.000 2.441 340 E HA 0.118 4.468 4.350 -0.000 0.000 0.207 340 E C -0.309 176.207 176.600 -0.140 0.000 0.803 340 E CA 0.112 56.411 56.400 -0.169 0.000 1.240 340 E CB 0.739 30.123 29.700 -0.527 0.000 1.233 340 E HN 0.220 nan 8.360 nan 0.000 0.590 341 D N 0.765 121.136 120.400 -0.048 0.000 2.613 341 D HA 0.113 4.753 4.640 -0.000 0.000 0.312 341 D C 0.241 176.648 176.300 0.178 0.000 1.202 341 D CA -0.031 54.020 54.000 0.085 0.000 0.825 341 D CB 1.147 42.035 40.800 0.147 0.000 1.113 341 D HN 0.024 nan 8.370 nan 0.000 0.502 342 M N 0.048 119.757 119.600 0.182 0.000 2.419 342 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 342 M C 1.462 177.889 176.300 0.211 0.000 1.082 342 M CA 1.058 56.465 55.300 0.178 0.000 1.119 342 M CB 0.117 32.830 32.600 0.188 0.000 1.398 342 M HN 0.385 nan 8.290 nan 0.000 0.453 343 W N 0.083 121.391 121.300 0.014 0.000 2.526 343 W HA 0.108 4.768 4.660 -0.000 0.000 0.294 343 W C 1.664 178.290 176.519 0.178 0.000 1.181 343 W CA 1.380 58.759 57.345 0.056 0.000 1.373 343 W CB -0.870 28.474 29.460 -0.193 0.000 1.112 343 W HN 0.294 nan 8.180 nan 0.000 0.545 344 G N 1.709 110.729 108.800 0.367 0.000 2.875 344 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.220 344 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.220 344 G C 1.659 176.672 174.900 0.188 0.000 1.293 344 G CA 2.767 48.046 45.100 0.298 0.000 0.789 344 G HN 0.382 nan 8.290 nan 0.000 0.677 345 A N 0.266 123.212 122.820 0.208 0.000 1.873 345 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 345 A C 2.523 180.098 177.584 -0.014 0.000 1.193 345 A CA 1.999 54.152 52.037 0.193 0.000 0.629 345 A CB -0.571 18.587 19.000 0.263 0.000 0.826 345 A HN 0.604 nan 8.150 nan 0.000 0.447 346 I N -1.538 119.019 120.570 -0.022 0.000 2.226 346 I HA -0.290 3.880 4.170 -0.000 0.000 0.245 346 I C 2.338 178.375 176.117 -0.133 0.000 1.100 346 I CA 2.032 63.293 61.300 -0.065 0.000 1.374 346 I CB -0.168 37.753 38.000 -0.131 0.000 1.057 346 I HN 0.507 nan 8.210 nan 0.000 0.413 347 H N 0.309 119.232 119.070 -0.246 0.000 2.389 347 H HA -0.006 4.550 4.556 -0.000 0.000 0.299 347 H C 2.223 177.419 175.328 -0.221 0.000 1.081 347 H CA 1.471 57.334 56.048 -0.308 0.000 1.345 347 H CB -0.189 29.211 29.762 -0.604 0.000 1.393 347 H HN 0.446 nan 8.280 nan 0.000 0.520 348 A N 0.328 123.033 122.820 -0.192 0.000 1.873 348 A HA -0.189 4.131 4.320 -0.000 0.000 0.215 348 A C 2.133 179.336 177.584 -0.635 0.000 1.186 348 A CA 1.418 53.188 52.037 -0.445 0.000 0.616 348 A CB -1.161 17.330 19.000 -0.848 0.000 0.823 348 A HN 0.688 nan 8.150 nan 0.000 0.442 349 W N 0.681 121.406 121.300 -0.958 0.000 2.358 349 W HA -0.226 4.434 4.660 -0.000 0.000 0.303 349 W C 2.163 178.495 176.519 -0.311 0.000 1.208 349 W CA 2.164 59.062 57.345 -0.745 0.000 1.274 349 W CB -0.206 28.935 29.460 -0.532 0.000 1.138 349 W HN 0.399 nan 8.180 nan 0.000 0.515 350 Q N 0.850 120.434 119.800 -0.360 0.000 2.119 350 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 350 Q C 2.217 177.982 176.000 -0.393 0.000 0.972 350 Q CA 2.484 57.963 55.803 -0.540 0.000 0.847 350 Q CB -0.819 27.784 28.738 -0.226 0.000 0.903 350 Q HN 0.282 nan 8.270 nan 0.000 0.433 351 A N 0.107 122.775 122.820 -0.252 0.000 1.898 351 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 351 A C 2.074 179.560 177.584 -0.165 0.000 1.181 351 A CA 1.324 53.271 52.037 -0.149 0.000 0.620 351 A CB -0.714 18.246 19.000 -0.067 0.000 0.819 351 A HN 0.450 nan 8.150 nan 0.000 0.442 352 L N -0.785 120.309 121.223 -0.215 0.000 2.141 352 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 352 L C 2.618 179.370 176.870 -0.198 0.000 1.094 352 L CA 1.690 56.442 54.840 -0.146 0.000 0.763 352 L CB -0.324 41.689 42.059 -0.076 0.000 0.908 352 L HN 0.461 nan 8.230 nan 0.000 0.437 353 K N 0.042 120.211 120.400 -0.384 0.000 2.057 353 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 353 K C 1.521 177.979 176.600 -0.237 0.000 1.050 353 K CA 1.500 57.553 56.287 -0.390 0.000 0.935 353 K CB 0.097 32.162 32.500 -0.725 0.000 0.715 353 K HN 0.217 nan 8.250 nan 0.000 0.439 354 D N 0.347 120.615 120.400 -0.220 0.000 2.183 354 D HA -0.085 4.555 4.640 -0.000 0.000 0.203 354 D C 1.345 177.597 176.300 -0.081 0.000 0.969 354 D CA 1.019 54.939 54.000 -0.132 0.000 0.842 354 D CB 0.021 40.753 40.800 -0.113 0.000 0.957 354 D HN 0.304 nan 8.370 nan 0.000 0.484 355 A N 0.361 123.137 122.820 -0.074 0.000 2.259 355 A HA -0.044 4.276 4.320 -0.000 0.000 0.208 355 A C 0.427 177.995 177.584 -0.026 0.000 1.201 355 A CA 0.183 52.199 52.037 -0.035 0.000 0.824 355 A CB -0.092 18.897 19.000 -0.019 0.000 0.838 355 A HN 0.051 nan 8.150 nan 0.000 0.485 356 D N -0.462 119.913 120.400 -0.042 0.000 2.697 356 D HA -0.143 4.497 4.640 -0.000 0.000 0.238 356 D C 0.018 176.318 176.300 -0.001 0.000 1.152 356 D CA 0.871 54.857 54.000 -0.023 0.000 0.666 356 D CB -1.395 39.398 40.800 -0.011 0.000 1.037 356 D HN 0.345 nan 8.370 nan 0.000 0.423 357 V N 1.771 121.684 119.914 -0.001 0.000 2.788 357 V HA -0.070 4.050 4.120 -0.000 0.000 0.307 357 V C 0.939 177.061 176.094 0.047 0.000 1.069 357 V CA 0.481 62.799 62.300 0.031 0.000 1.173 357 V CB 0.901 32.755 31.823 0.051 0.000 0.925 357 V HN 0.108 nan 8.190 nan 0.000 0.492 358 K N 6.158 126.589 120.400 0.052 0.000 2.997 358 K HA 0.612 4.932 4.320 -0.000 0.000 0.249 358 K C -0.234 176.405 176.600 0.066 0.000 1.284 358 K CA 0.357 56.678 56.287 0.056 0.000 1.245 358 K CB 0.284 32.811 32.500 0.045 0.000 1.670 358 K HN 0.801 nan 8.250 nan 0.000 0.385 359 A N 1.039 123.911 122.820 0.087 0.000 2.597 359 A HA 0.536 4.856 4.320 -0.000 0.000 0.292 359 A C -2.946 174.728 177.584 0.151 0.000 1.057 359 A CA -1.273 50.821 52.037 0.095 0.000 0.674 359 A CB 0.916 19.954 19.000 0.065 0.000 1.278 359 A HN 0.059 nan 8.150 nan 0.000 0.416 360 P HA 0.275 nan 4.420 nan 0.000 0.264 360 P C -0.750 176.726 177.300 0.293 0.000 1.183 360 P CA 0.600 63.869 63.100 0.281 0.000 0.763 360 P CB 0.258 32.214 31.700 0.427 0.000 0.807 361 N N 1.073 119.962 118.700 0.314 0.000 2.664 361 N HA 0.222 4.962 4.740 -0.000 0.000 0.268 361 N C -1.670 174.162 175.510 0.537 0.000 1.222 361 N CA -0.276 53.031 53.050 0.427 0.000 0.805 361 N CB 0.718 39.406 38.487 0.335 0.000 1.399 361 N HN 0.072 nan 8.380 nan 0.000 0.547 362 T N 2.318 117.105 114.554 0.387 0.000 2.829 362 T HA 0.473 4.823 4.350 -0.000 0.000 0.280 362 T C -0.862 173.825 174.700 -0.022 0.000 0.999 362 T CA -0.425 61.793 62.100 0.197 0.000 0.983 362 T CB 1.225 70.071 68.868 -0.037 0.000 0.968 362 T HN 0.350 nan 8.240 nan 0.000 0.446 363 L N 4.366 125.300 121.223 -0.481 0.000 2.289 363 L HA 0.742 5.082 4.340 -0.000 0.000 0.285 363 L C -1.112 175.451 176.870 -0.512 0.000 1.049 363 L CA -0.308 54.090 54.840 -0.736 0.000 0.804 363 L CB 1.074 42.197 42.059 -1.559 0.000 1.195 363 L HN 0.425 nan 8.230 nan 0.000 0.428 364 V N 6.477 126.167 119.914 -0.372 0.000 2.531 364 V HA 0.538 4.658 4.120 -0.000 0.000 0.301 364 V C -0.254 175.656 176.094 -0.308 0.000 1.034 364 V CA -0.453 61.640 62.300 -0.345 0.000 0.865 364 V CB 1.660 33.265 31.823 -0.364 0.000 0.995 364 V HN 0.780 nan 8.190 nan 0.000 0.424 365 M N 3.997 123.395 119.600 -0.337 0.000 2.151 365 M HA 0.623 5.103 4.480 -0.000 0.000 0.290 365 M C 0.225 176.173 176.300 -0.586 0.000 0.965 365 M CA -0.199 54.864 55.300 -0.396 0.000 0.930 365 M CB 2.153 34.503 32.600 -0.416 0.000 1.560 365 M HN 0.768 nan 8.290 nan 0.000 0.438 366 G N 2.240 110.361 108.800 -1.131 0.000 2.597 366 G HA2 0.757 4.717 3.960 -0.000 0.000 0.317 366 G HA3 0.757 4.717 3.960 -0.000 0.000 0.317 366 G C -2.826 171.093 174.900 -1.636 0.000 1.230 366 G CA -1.384 42.543 45.100 -1.956 0.000 0.996 366 G HN 0.411 nan 8.290 nan 0.000 0.490 367 P HA 0.197 nan 4.420 nan 0.000 0.225 367 P C -1.068 175.874 177.300 -0.596 0.000 1.813 367 P CA -0.090 62.327 63.100 -1.138 0.000 1.013 367 P CB -0.111 30.399 31.700 -1.983 0.000 1.961 368 W N 2.224 123.477 121.300 -0.079 0.000 2.975 368 W HA 0.404 5.064 4.660 -0.000 0.000 0.342 368 W C 0.576 177.165 176.519 0.116 0.000 1.168 368 W CA -0.798 56.564 57.345 0.029 0.000 1.141 368 W CB 0.907 30.356 29.460 -0.018 0.000 1.445 368 W HN 0.061 nan 8.180 nan 0.000 0.560 369 R N -0.178 120.536 120.500 0.357 0.000 2.517 369 R HA 0.337 4.677 4.340 -0.000 0.000 0.250 369 R C -0.113 176.336 176.300 0.249 0.000 1.213 369 R CA -0.625 55.612 56.100 0.229 0.000 1.146 369 R CB -0.406 29.966 30.300 0.121 0.000 1.279 369 R HN 0.359 nan 8.270 nan 0.000 0.597 370 H N -0.045 119.091 119.070 0.111 0.000 3.107 370 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 370 H C -0.235 175.186 175.328 0.156 0.000 0.981 370 H CA 1.512 57.639 56.048 0.131 0.000 1.443 370 H CB 0.072 29.906 29.762 0.119 0.000 1.479 370 H HN 0.705 nan 8.280 nan 0.000 0.564 371 S N 1.835 117.349 115.700 -0.311 0.000 3.127 371 S HA -0.240 4.230 4.470 -0.000 0.000 0.281 371 S C 1.866 176.465 174.600 -0.001 0.000 1.293 371 S CA 0.952 59.033 58.200 -0.198 0.000 1.156 371 S CB -1.667 61.442 63.200 -0.151 0.000 1.389 371 S HN 1.012 nan 8.310 nan 0.000 0.672 372 G N 0.507 109.324 108.800 0.028 0.000 2.470 372 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.220 372 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.220 372 G C 1.212 175.871 174.900 -0.402 0.000 1.121 372 G CA 0.983 46.099 45.100 0.027 0.000 0.766 372 G HN 0.705 nan 8.290 nan 0.000 0.553 373 V N 0.972 120.458 119.914 -0.714 0.000 2.828 373 V HA -0.091 4.029 4.120 -0.000 0.000 0.260 373 V C 1.652 177.423 176.094 -0.538 0.000 1.101 373 V CA 1.701 63.329 62.300 -1.120 0.000 1.123 373 V CB -0.314 30.948 31.823 -0.935 0.000 0.704 373 V HN 0.344 nan 8.190 nan 0.000 0.493 374 N N -1.386 117.058 118.700 -0.426 0.000 2.270 374 N HA 0.159 4.899 4.740 -0.000 0.000 0.198 374 N C -0.229 174.774 175.510 -0.845 0.000 1.117 374 N CA 0.236 52.952 53.050 -0.557 0.000 0.845 374 N CB 0.400 38.507 38.487 -0.633 0.000 0.980 374 N HN 0.615 nan 8.380 nan 0.000 0.486 375 Y N -0.620 119.613 120.300 -0.111 0.000 3.323 375 Y HA 0.295 4.845 4.550 -0.000 0.000 0.285 375 Y C 0.502 176.380 175.900 -0.037 0.000 1.897 375 Y CA -1.161 56.907 58.100 -0.054 0.000 0.959 375 Y CB 0.234 38.672 38.460 -0.038 0.000 1.453 375 Y HN -0.234 nan 8.280 nan 0.000 0.602 376 N N 0.470 119.290 118.700 0.201 0.000 2.426 376 N HA 0.231 4.971 4.740 -0.000 0.000 0.275 376 N C -0.242 175.375 175.510 0.179 0.000 1.019 376 N CA 0.134 53.272 53.050 0.147 0.000 0.941 376 N CB 1.542 40.100 38.487 0.117 0.000 1.123 376 N HN 0.875 nan 8.380 nan 0.000 0.486 377 G N 1.628 110.568 108.800 0.234 0.000 3.936 377 G HA2 0.067 4.027 3.960 -0.000 0.000 0.296 377 G HA3 0.067 4.027 3.960 -0.000 0.000 0.296 377 G C 0.693 175.830 174.900 0.395 0.000 1.121 377 G CA -0.282 45.050 45.100 0.387 0.000 0.899 377 G HN 0.548 nan 8.290 nan 0.000 0.542 378 S N 0.006 115.879 115.700 0.288 0.000 2.414 378 S HA 0.060 4.529 4.470 -0.000 0.000 0.227 378 S C 1.449 176.159 174.600 0.184 0.000 1.022 378 S CA 1.112 59.453 58.200 0.234 0.000 0.958 378 S CB 0.153 63.429 63.200 0.127 0.000 0.797 378 S HN 0.710 nan 8.310 nan 0.000 0.493 379 T N -0.930 113.720 114.554 0.160 0.000 2.841 379 T HA 0.713 5.063 4.350 -0.000 0.000 0.296 379 T C -1.618 173.149 174.700 0.112 0.000 1.166 379 T CA -0.835 61.225 62.100 -0.067 0.000 1.007 379 T CB 1.884 70.693 68.868 -0.099 0.000 1.253 379 T HN -0.022 nan 8.240 nan 0.000 0.511 380 L N 1.208 122.400 121.223 -0.051 0.000 2.661 380 L HA 0.626 4.966 4.340 -0.000 0.000 0.263 380 L C 0.615 177.392 176.870 -0.154 0.000 0.956 380 L CA 1.436 56.283 54.840 0.011 0.000 0.918 380 L CB 0.909 43.073 42.059 0.175 0.000 1.280 380 L HN 1.573 nan 8.230 nan 0.000 0.416 381 G N 5.675 114.407 108.800 -0.113 0.000 2.622 381 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.307 381 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.307 381 G C -1.658 173.153 174.900 -0.150 0.000 1.226 381 G CA 0.294 45.321 45.100 -0.120 0.000 0.997 381 G HN 0.618 nan 8.290 nan 0.000 0.551 382 P HA 0.272 nan 4.420 nan 0.000 0.251 382 P C 0.815 177.927 177.300 -0.314 0.000 1.223 382 P CA 0.242 63.216 63.100 -0.210 0.000 0.796 382 P CB 0.046 31.632 31.700 -0.190 0.000 1.068 383 L N 0.590 121.573 121.223 -0.401 0.000 2.397 383 L HA 0.244 4.584 4.340 -0.000 0.000 0.271 383 L C 0.633 177.043 176.870 -0.767 0.000 1.148 383 L CA -0.043 54.458 54.840 -0.565 0.000 0.825 383 L CB 0.346 42.038 42.059 -0.612 0.000 1.117 383 L HN -0.112 nan 8.230 nan 0.000 0.456 384 E N 2.099 121.863 120.200 -0.728 0.000 2.199 384 E HA 0.553 4.903 4.350 -0.000 0.000 0.269 384 E C -1.353 174.860 176.600 -0.646 0.000 0.899 384 E CA -0.551 55.486 56.400 -0.605 0.000 0.772 384 E CB 2.017 31.554 29.700 -0.272 0.000 1.155 384 E HN 0.212 nan 8.360 nan 0.000 0.408 385 F N 0.337 120.281 119.950 -0.010 0.000 2.613 385 F HA 0.279 4.806 4.527 -0.000 0.000 0.342 385 F C 0.771 176.603 175.800 0.053 0.000 1.066 385 F CA -1.134 56.870 58.000 0.008 0.000 1.002 385 F CB 0.752 39.658 39.000 -0.157 0.000 1.319 385 F HN 0.196 nan 8.300 nan 0.000 0.495 386 E N 1.807 122.211 120.200 0.340 0.000 1.791 386 E HA 0.390 4.740 4.350 -0.000 0.000 0.263 386 E C 0.559 177.300 176.600 0.234 0.000 1.213 386 E CA 0.230 56.774 56.400 0.239 0.000 0.991 386 E CB -0.210 29.625 29.700 0.224 0.000 1.068 386 E HN 0.783 nan 8.360 nan 0.000 0.417 387 G N 3.228 112.143 108.800 0.192 0.000 2.782 387 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.228 387 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.228 387 G C -0.338 174.698 174.900 0.228 0.000 1.372 387 G CA -0.493 44.721 45.100 0.190 0.000 0.862 387 G HN 0.502 nan 8.290 nan 0.000 0.547 388 D N 0.896 121.433 120.400 0.228 0.000 2.441 388 D HA 0.309 4.949 4.640 -0.000 0.000 0.243 388 D C 2.190 178.703 176.300 0.354 0.000 1.257 388 D CA 0.871 55.027 54.000 0.261 0.000 1.027 388 D CB -0.131 40.797 40.800 0.212 0.000 1.084 388 D HN 0.767 nan 8.370 nan 0.000 0.514 389 T N 0.655 115.443 114.554 0.391 0.000 2.803 389 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 389 T C 1.831 176.990 174.700 0.765 0.000 1.052 389 T CA 1.064 63.498 62.100 0.556 0.000 1.136 389 T CB -0.098 68.886 68.868 0.193 0.000 0.864 389 T HN 0.252 nan 8.240 nan 0.000 0.467 390 A N 1.352 124.524 122.820 0.587 0.000 1.873 390 A HA -0.058 4.262 4.320 -0.000 0.000 0.215 390 A C 2.227 179.961 177.584 0.249 0.000 1.186 390 A CA 1.889 54.067 52.037 0.235 0.000 0.616 390 A CB -1.235 17.650 19.000 -0.192 0.000 0.823 390 A HN 0.725 nan 8.150 nan 0.000 0.442 391 H N -0.175 118.981 119.070 0.143 0.000 2.387 391 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 391 H C 2.118 177.497 175.328 0.086 0.000 1.090 391 H CA 2.183 58.274 56.048 0.073 0.000 1.332 391 H CB -0.211 29.584 29.762 0.055 0.000 1.386 391 H HN 0.596 nan 8.280 nan 0.000 0.516 392 Q N -0.915 118.965 119.800 0.134 0.000 2.045 392 Q HA -0.261 4.079 4.340 -0.000 0.000 0.206 392 Q C 2.106 178.065 176.000 -0.069 0.000 0.991 392 Q CA 2.055 57.889 55.803 0.053 0.000 0.851 392 Q CB -0.484 28.426 28.738 0.287 0.000 0.911 392 Q HN 0.670 nan 8.270 nan 0.000 0.418 393 Y N 1.242 121.503 120.300 -0.065 0.000 2.097 393 Y HA -0.271 4.279 4.550 -0.000 0.000 0.282 393 Y C 2.239 178.070 175.900 -0.114 0.000 1.152 393 Y CA 1.641 59.641 58.100 -0.166 0.000 1.136 393 Y CB -0.038 38.443 38.460 0.035 0.000 0.975 393 Y HN -0.063 nan 8.280 nan 0.000 0.498 394 R N -0.035 120.272 120.500 -0.322 0.000 2.096 394 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 394 R C 2.559 178.552 176.300 -0.512 0.000 1.139 394 R CA 2.030 57.884 56.100 -0.411 0.000 0.952 394 R CB -0.446 29.726 30.300 -0.212 0.000 0.854 394 R HN 0.406 nan 8.270 nan 0.000 0.436 395 R N 0.370 120.570 120.500 -0.499 0.000 2.100 395 R HA -0.080 4.260 4.340 -0.000 0.000 0.220 395 R C 0.876 176.989 176.300 -0.313 0.000 1.091 395 R CA 1.464 57.292 56.100 -0.453 0.000 0.986 395 R CB 0.212 30.191 30.300 -0.536 0.000 0.888 395 R HN 0.102 nan 8.270 nan 0.000 0.444 396 D N -0.697 119.539 120.400 -0.273 0.000 2.327 396 D HA 0.019 4.659 4.640 -0.000 0.000 0.205 396 D C 1.387 177.598 176.300 -0.148 0.000 0.989 396 D CA 0.574 54.467 54.000 -0.178 0.000 0.873 396 D CB 0.867 41.582 40.800 -0.142 0.000 0.955 396 D HN 0.090 nan 8.370 nan 0.000 0.515 397 V N -0.162 119.613 119.914 -0.233 0.000 3.054 397 V HA 0.012 4.132 4.120 -0.000 0.000 0.227 397 V C 1.684 177.714 176.094 -0.108 0.000 1.252 397 V CA -0.130 62.073 62.300 -0.161 0.000 1.279 397 V CB -0.041 31.672 31.823 -0.184 0.000 1.118 397 V HN -0.030 nan 8.190 nan 0.000 0.504 398 F N 2.443 122.015 119.950 -0.630 0.000 2.046 398 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 398 F C 2.580 178.263 175.800 -0.196 0.000 1.123 398 F CA 2.572 60.279 58.000 -0.489 0.000 1.199 398 F CB -0.569 37.925 39.000 -0.844 0.000 0.972 398 F HN 0.105 nan 8.300 nan 0.000 0.474 399 R N 0.697 121.017 120.500 -0.300 0.000 2.070 399 R HA -0.104 4.236 4.340 -0.000 0.000 0.233 399 R C -0.847 175.447 176.300 -0.010 0.000 1.137 399 R CA 1.950 57.803 56.100 -0.412 0.000 0.945 399 R CB -1.887 28.036 30.300 -0.628 0.000 0.845 399 R HN 0.187 nan 8.270 nan 0.000 0.430 400 P HA -0.102 nan 4.420 nan 0.000 0.216 400 P C 1.066 178.486 177.300 0.199 0.000 1.153 400 P CA 1.154 64.301 63.100 0.078 0.000 0.848 400 P CB -0.241 31.483 31.700 0.040 0.000 0.787 401 F N -1.075 118.975 119.950 0.167 0.000 2.126 401 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 401 F C 1.958 178.023 175.800 0.441 0.000 1.096 401 F CA 1.409 59.580 58.000 0.285 0.000 1.255 401 F CB -0.497 38.710 39.000 0.345 0.000 0.997 401 F HN -0.229 nan 8.300 nan 0.000 0.479 402 F N 1.080 121.211 119.950 0.301 0.000 2.146 402 F HA -0.166 4.361 4.527 -0.000 0.000 0.298 402 F C 2.285 178.205 175.800 0.199 0.000 1.096 402 F CA 1.580 59.741 58.000 0.269 0.000 1.275 402 F CB -1.016 38.226 39.000 0.403 0.000 1.008 402 F HN -0.045 nan 8.300 nan 0.000 0.480 403 D N -0.141 120.461 120.400 0.336 0.000 2.178 403 D HA -0.201 4.439 4.640 -0.000 0.000 0.201 403 D C 2.172 178.453 176.300 -0.031 0.000 0.980 403 D CA 1.157 55.261 54.000 0.173 0.000 0.842 403 D CB -0.406 40.469 40.800 0.126 0.000 0.948 403 D HN 0.409 nan 8.370 nan 0.000 0.472 404 E N -0.640 119.459 120.200 -0.169 0.000 2.085 404 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 404 E C 1.278 177.527 176.600 -0.585 0.000 0.994 404 E CA 1.064 57.195 56.400 -0.448 0.000 0.801 404 E CB -0.027 29.231 29.700 -0.736 0.000 0.743 404 E HN 0.428 nan 8.360 nan 0.000 0.453 405 Y N -0.800 119.381 120.300 -0.199 0.000 2.497 405 Y HA 0.181 4.731 4.550 -0.000 0.000 0.265 405 Y C 1.729 177.529 175.900 -0.167 0.000 1.111 405 Y CA 0.056 58.029 58.100 -0.212 0.000 1.288 405 Y CB 0.506 38.774 38.460 -0.320 0.000 1.082 405 Y HN 0.006 nan 8.280 nan 0.000 0.536 406 L N -0.627 120.588 121.223 -0.013 0.000 2.556 406 L HA 0.167 4.507 4.340 -0.000 0.000 0.226 406 L C 0.129 176.944 176.870 -0.091 0.000 1.089 406 L CA 0.521 55.337 54.840 -0.040 0.000 0.864 406 L CB 0.316 42.392 42.059 0.028 0.000 1.067 406 L HN -0.133 nan 8.230 nan 0.000 0.477 407 K N 1.088 121.440 120.400 -0.080 0.000 2.540 407 K HA 0.318 4.638 4.320 -0.000 0.000 0.218 407 K C -2.482 174.064 176.600 -0.090 0.000 1.017 407 K CA -1.819 54.410 56.287 -0.097 0.000 1.029 407 K CB 1.368 33.818 32.500 -0.083 0.000 1.348 407 K HN -0.232 nan 8.250 nan 0.000 0.508 408 P HA -0.118 nan 4.420 nan 0.000 0.261 408 P C 0.794 178.051 177.300 -0.072 0.000 1.173 408 P CA 1.262 64.314 63.100 -0.080 0.000 0.760 408 P CB 0.612 32.271 31.700 -0.068 0.000 0.783 409 G N 1.604 110.359 108.800 -0.074 0.000 2.194 409 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.236 409 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.236 409 G C 0.434 175.296 174.900 -0.064 0.000 0.987 409 G CA -0.085 44.978 45.100 -0.061 0.000 0.635 409 G HN 0.576 nan 8.290 nan 0.000 0.520 410 S N 0.921 116.574 115.700 -0.078 0.000 2.585 410 S HA 0.636 5.106 4.470 -0.000 0.000 0.273 410 S C 0.972 175.519 174.600 -0.089 0.000 1.339 410 S CA 0.205 58.360 58.200 -0.074 0.000 1.028 410 S CB 1.331 64.486 63.200 -0.076 0.000 0.906 410 S HN 1.595 nan 8.310 nan 0.000 0.528 411 A N 2.607 125.387 122.820 -0.067 0.000 2.507 411 A HA 0.356 4.676 4.320 -0.000 0.000 0.235 411 A C 0.577 178.098 177.584 -0.105 0.000 1.070 411 A CA -0.128 51.871 52.037 -0.063 0.000 0.768 411 A CB 0.012 18.990 19.000 -0.036 0.000 1.011 411 A HN 0.666 nan 8.150 nan 0.000 0.502 412 S N -0.663 114.971 115.700 -0.111 0.000 2.586 412 S HA 0.513 4.983 4.470 -0.000 0.000 0.274 412 S C 0.086 174.574 174.600 -0.188 0.000 1.281 412 S CA -0.144 57.935 58.200 -0.203 0.000 1.035 412 S CB 1.142 64.210 63.200 -0.220 0.000 0.962 412 S HN 1.350 nan 8.310 nan 0.000 0.512 413 V N 1.022 120.794 119.914 -0.236 0.000 2.715 413 V HA 0.612 4.732 4.120 -0.000 0.000 0.310 413 V C -0.910 175.039 176.094 -0.241 0.000 1.054 413 V CA -0.677 61.565 62.300 -0.097 0.000 0.928 413 V CB 1.629 33.505 31.823 0.088 0.000 1.007 413 V HN 0.912 nan 8.190 nan 0.000 0.437 414 H N 4.666 123.819 119.070 0.138 0.000 2.645 414 H HA 0.472 5.028 4.556 -0.000 0.000 0.257 414 H C -0.607 174.820 175.328 0.164 0.000 1.269 414 H CA -0.310 55.828 56.048 0.149 0.000 1.409 414 H CB 1.295 31.119 29.762 0.103 0.000 1.434 414 H HN 0.585 nan 8.280 nan 0.000 0.505 415 L N 4.113 125.491 121.223 0.257 0.000 2.417 415 L HA 0.216 4.556 4.340 -0.000 0.000 0.268 415 L C -1.373 175.622 176.870 0.209 0.000 1.158 415 L CA -1.547 53.417 54.840 0.207 0.000 0.819 415 L CB 0.415 42.537 42.059 0.104 0.000 1.112 415 L HN 0.319 nan 8.230 nan 0.000 0.458 416 P HA 0.137 nan 4.420 nan 0.000 0.297 416 P C -0.118 177.300 177.300 0.197 0.000 1.303 416 P CA -0.424 62.796 63.100 0.201 0.000 0.753 416 P CB 0.867 32.693 31.700 0.209 0.000 1.281 417 D N -0.967 119.585 120.400 0.254 0.000 2.097 417 D HA 0.055 4.695 4.640 -0.000 0.000 0.195 417 D C 0.534 176.970 176.300 0.227 0.000 0.989 417 D CA 1.492 55.713 54.000 0.368 0.000 0.827 417 D CB -0.256 40.834 40.800 0.484 0.000 0.966 417 D HN 0.509 nan 8.370 nan 0.000 0.456 418 A N -0.546 122.302 122.820 0.047 0.000 2.520 418 A HA 0.629 4.949 4.320 -0.000 0.000 0.298 418 A C -1.252 176.140 177.584 -0.319 0.000 1.051 418 A CA -0.586 51.279 52.037 -0.285 0.000 0.690 418 A CB 1.252 19.874 19.000 -0.629 0.000 1.281 418 A HN 0.035 nan 8.150 nan 0.000 0.402 419 I N 2.808 123.118 120.570 -0.434 0.000 2.382 419 I HA 0.441 4.611 4.170 -0.000 0.000 0.285 419 I C -0.952 174.970 176.117 -0.325 0.000 1.007 419 I CA -0.084 60.906 61.300 -0.517 0.000 1.142 419 I CB 1.047 38.648 38.000 -0.666 0.000 1.289 419 I HN 0.466 nan 8.210 nan 0.000 0.453 420 I N 5.923 126.331 120.570 -0.270 0.000 2.499 420 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 420 I C -0.678 175.297 176.117 -0.236 0.000 1.048 420 I CA -0.943 60.200 61.300 -0.263 0.000 1.062 420 I CB 2.068 39.810 38.000 -0.429 0.000 1.238 420 I HN 0.402 nan 8.210 nan 0.000 0.426 421 Y N 6.259 126.178 120.300 -0.634 0.000 2.497 421 Y HA 0.091 4.641 4.550 -0.000 0.000 0.334 421 Y C 0.412 175.955 175.900 -0.594 0.000 1.199 421 Y CA 0.409 57.908 58.100 -1.002 0.000 1.425 421 Y CB 0.571 38.105 38.460 -1.543 0.000 1.291 421 Y HN 0.520 nan 8.280 nan 0.000 0.562 422 N N 3.092 121.229 118.700 -0.938 0.000 2.437 422 N HA 0.047 4.787 4.740 -0.000 0.000 0.259 422 N C 0.286 175.520 175.510 -0.459 0.000 0.983 422 N CA 0.236 52.962 53.050 -0.540 0.000 0.937 422 N CB 1.320 39.548 38.487 -0.432 0.000 1.122 422 N HN 0.863 nan 8.380 nan 0.000 0.499 423 T N -0.163 114.311 114.554 -0.133 0.000 3.160 423 T HA 0.127 4.477 4.350 -0.000 0.000 0.257 423 T C 1.332 176.061 174.700 0.049 0.000 1.147 423 T CA 0.527 62.709 62.100 0.135 0.000 1.064 423 T CB 0.197 69.224 68.868 0.265 0.000 0.949 423 T HN 0.437 nan 8.240 nan 0.000 0.526 424 G N 1.141 109.777 108.800 -0.272 0.000 2.789 424 G HA2 0.082 4.042 3.960 -0.000 0.000 0.207 424 G HA3 0.082 4.042 3.960 -0.000 0.000 0.207 424 G C 1.090 175.837 174.900 -0.255 0.000 1.153 424 G CA 0.030 44.866 45.100 -0.440 0.000 0.847 424 G HN 0.380 nan 8.290 nan 0.000 0.615 425 D N 0.758 121.004 120.400 -0.258 0.000 2.347 425 D HA 0.060 4.700 4.640 -0.000 0.000 0.215 425 D C 0.515 176.687 176.300 -0.213 0.000 0.976 425 D CA 0.344 54.221 54.000 -0.205 0.000 0.884 425 D CB 0.122 40.803 40.800 -0.199 0.000 0.915 425 D HN 0.122 nan 8.370 nan 0.000 0.526 426 Q N -0.406 119.221 119.800 -0.287 0.000 2.459 426 Q HA -0.221 4.119 4.340 -0.000 0.000 0.322 426 Q C -0.416 175.338 176.000 -0.409 0.000 1.427 426 Q CA 0.886 56.533 55.803 -0.261 0.000 0.861 426 Q CB -1.990 26.761 28.738 0.021 0.000 1.137 426 Q HN 0.583 nan 8.270 nan 0.000 0.394 427 K N -2.570 117.337 120.400 -0.822 0.000 2.579 427 K HA 0.615 4.935 4.320 -0.000 0.000 0.284 427 K C -1.246 174.898 176.600 -0.759 0.000 0.990 427 K CA -1.022 54.924 56.287 -0.569 0.000 0.880 427 K CB 0.779 33.142 32.500 -0.230 0.000 1.488 427 K HN -0.019 nan 8.250 nan 0.000 0.425 428 W N 1.682 122.824 121.300 -0.264 0.000 2.287 428 W HA 0.280 4.940 4.660 -0.000 0.000 0.313 428 W C -0.551 175.857 176.519 -0.185 0.000 1.267 428 W CA 0.249 57.476 57.345 -0.197 0.000 1.201 428 W CB 0.986 30.447 29.460 0.003 0.000 1.196 428 W HN 0.383 nan 8.180 nan 0.000 0.536 429 D N 2.519 122.869 120.400 -0.083 0.000 2.308 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.242 429 D C -1.274 174.763 176.300 -0.438 0.000 1.059 429 D CA -0.640 53.166 54.000 -0.323 0.000 0.830 429 D CB 1.163 41.556 40.800 -0.679 0.000 1.161 429 D HN 0.246 nan 8.370 nan 0.000 0.494 430 Y N 1.533 121.583 120.300 -0.417 0.000 2.417 430 Y HA 0.257 4.807 4.550 -0.000 0.000 0.336 430 Y C -0.343 175.392 175.900 -0.274 0.000 0.961 430 Y CA -0.758 57.184 58.100 -0.264 0.000 1.215 430 Y CB 0.786 39.173 38.460 -0.121 0.000 1.120 430 Y HN 0.279 nan 8.280 nan 0.000 0.499 431 Y N 3.478 123.819 120.300 0.069 0.000 2.417 431 Y HA 0.272 4.822 4.550 -0.000 0.000 0.336 431 Y C 1.437 177.434 175.900 0.162 0.000 0.961 431 Y CA -0.765 57.408 58.100 0.121 0.000 1.215 431 Y CB 1.134 39.673 38.460 0.132 0.000 1.120 431 Y HN 0.628 nan 8.280 nan 0.000 0.499 432 R N 1.250 121.939 120.500 0.316 0.000 2.096 432 R HA -0.090 4.250 4.340 -0.000 0.000 0.240 432 R C -0.182 176.276 176.300 0.263 0.000 1.139 432 R CA 1.339 57.586 56.100 0.245 0.000 0.952 432 R CB 0.104 30.517 30.300 0.188 0.000 0.854 432 R HN 0.480 nan 8.270 nan 0.000 0.436 433 S N -1.297 114.571 115.700 0.278 0.000 2.502 433 S HA 0.418 4.888 4.470 -0.000 0.000 0.304 433 S C -1.800 172.999 174.600 0.332 0.000 1.097 433 S CA -0.605 57.746 58.200 0.252 0.000 1.045 433 S CB 1.931 65.219 63.200 0.147 0.000 1.019 433 S HN 0.375 nan 8.310 nan 0.000 0.481 434 W N 4.302 125.680 121.300 0.130 0.000 3.573 434 W HA 0.508 5.168 4.660 -0.000 0.000 0.306 434 W C -3.053 173.564 176.519 0.163 0.000 1.227 434 W CA -1.446 55.937 57.345 0.064 0.000 1.212 434 W CB 1.114 30.608 29.460 0.056 0.000 1.331 434 W HN 0.407 nan 8.180 nan 0.000 0.524 435 P HA 0.226 nan 4.420 nan 0.000 0.278 435 P C 0.323 177.300 177.300 -0.538 0.000 1.258 435 P CA -0.131 62.174 63.100 -1.324 0.000 0.811 435 P CB 1.532 32.414 31.700 -1.363 0.000 1.063 436 S N -0.641 114.790 115.700 -0.449 0.000 2.503 436 S HA 0.163 4.633 4.470 -0.000 0.000 0.217 436 S C 0.614 175.096 174.600 -0.197 0.000 0.999 436 S CA 0.127 58.195 58.200 -0.221 0.000 0.914 436 S CB -0.716 62.396 63.200 -0.146 0.000 0.782 436 S HN 0.400 nan 8.310 nan 0.000 0.520 437 V N -0.465 119.293 119.914 -0.259 0.000 2.789 437 V HA 0.916 5.035 4.120 -0.000 0.000 0.311 437 V C -0.307 175.659 176.094 -0.214 0.000 1.073 437 V CA -0.830 61.357 62.300 -0.188 0.000 0.921 437 V CB 0.503 32.240 31.823 -0.143 0.000 1.009 437 V HN 0.884 nan 8.190 nan 0.000 0.426 438 C N 1.498 120.709 119.300 -0.148 0.000 3.253 438 C HA 0.552 5.012 4.460 -0.000 0.000 0.362 438 C C 1.012 175.959 174.990 -0.072 0.000 1.487 438 C CA 0.006 58.945 59.018 -0.131 0.000 1.179 438 C CB 1.136 28.777 27.740 -0.164 0.000 1.660 438 C HN 0.968 nan 8.230 nan 0.000 0.438 439 E N 1.158 121.333 120.200 -0.042 0.000 2.150 439 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 439 E C 0.689 177.283 176.600 -0.010 0.000 0.985 439 E CA 1.828 58.226 56.400 -0.003 0.000 0.814 439 E CB 0.082 29.810 29.700 0.046 0.000 0.752 439 E HN 0.866 nan 8.360 nan 0.000 0.466 440 S N -1.229 114.456 115.700 -0.024 0.000 2.547 440 S HA 0.296 4.766 4.470 -0.000 0.000 0.270 440 S C -0.481 174.096 174.600 -0.038 0.000 1.150 440 S CA -0.820 57.366 58.200 -0.024 0.000 0.850 440 S CB 1.276 64.470 63.200 -0.011 0.000 1.118 440 S HN 0.302 nan 8.310 nan 0.000 0.461 441 N N -0.673 118.007 118.700 -0.035 0.000 2.754 441 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 441 N C -0.681 174.797 175.510 -0.054 0.000 1.093 441 N CA 0.678 53.704 53.050 -0.039 0.000 0.699 441 N CB -1.714 36.751 38.487 -0.038 0.000 1.016 441 N HN 0.694 nan 8.380 nan 0.000 0.552 442 C N -1.563 117.702 119.300 -0.058 0.000 2.913 442 C HA 0.360 4.820 4.460 -0.000 0.000 0.322 442 C C 2.253 177.210 174.990 -0.056 0.000 1.292 442 C CA -0.452 58.522 59.018 -0.073 0.000 1.649 442 C CB 1.597 29.272 27.740 -0.108 0.000 2.139 442 C HN 0.447 nan 8.230 nan 0.000 0.475 443 T N 0.766 115.286 114.554 -0.057 0.000 2.720 443 T HA 0.059 4.409 4.350 -0.000 0.000 0.268 443 T C 0.752 175.427 174.700 -0.041 0.000 1.037 443 T CA 1.793 63.869 62.100 -0.040 0.000 1.144 443 T CB -0.226 68.621 68.868 -0.035 0.000 0.864 443 T HN 0.938 nan 8.240 nan 0.000 0.444 444 G N -0.926 107.840 108.800 -0.057 0.000 2.818 444 G HA2 0.630 4.590 3.960 -0.000 0.000 0.286 444 G HA3 0.630 4.590 3.960 -0.000 0.000 0.286 444 G C -0.487 174.379 174.900 -0.057 0.000 1.364 444 G CA -0.321 44.749 45.100 -0.051 0.000 0.938 444 G HN 0.398 nan 8.290 nan 0.000 0.490 445 G N -1.463 107.310 108.800 -0.044 0.000 2.705 445 G HA2 0.552 4.512 3.960 -0.000 0.000 0.299 445 G HA3 0.552 4.512 3.960 -0.000 0.000 0.299 445 G C -1.042 173.833 174.900 -0.042 0.000 1.315 445 G CA -0.649 44.428 45.100 -0.039 0.000 1.045 445 G HN 0.457 nan 8.290 nan 0.000 0.517 446 L N 0.011 121.215 121.223 -0.032 0.000 2.395 446 L HA 0.448 4.788 4.340 -0.000 0.000 0.269 446 L C 0.725 177.588 176.870 -0.012 0.000 1.133 446 L CA -0.152 54.670 54.840 -0.030 0.000 0.812 446 L CB 1.430 43.469 42.059 -0.033 0.000 1.125 446 L HN 0.344 nan 8.230 nan 0.000 0.452 447 T N 4.076 118.630 114.554 0.000 0.000 2.788 447 T HA 0.396 4.746 4.350 -0.000 0.000 0.296 447 T C -2.467 172.256 174.700 0.037 0.000 1.009 447 T CA -1.202 60.919 62.100 0.034 0.000 0.949 447 T CB 1.193 70.078 68.868 0.029 0.000 0.946 447 T HN 0.291 nan 8.240 nan 0.000 0.453 448 P HA 0.217 nan 4.420 nan 0.000 0.271 448 P C -0.782 176.284 177.300 -0.391 0.000 1.220 448 P CA -0.701 62.194 63.100 -0.341 0.000 0.768 448 P CB 0.469 31.760 31.700 -0.682 0.000 0.848 449 L N 5.795 126.753 121.223 -0.442 0.000 2.301 449 L HA 0.395 4.735 4.340 -0.000 0.000 0.278 449 L C -1.201 175.387 176.870 -0.470 0.000 1.022 449 L CA -0.823 53.697 54.840 -0.533 0.000 0.854 449 L CB -0.439 41.296 42.059 -0.540 0.000 1.226 449 L HN 0.198 nan 8.230 nan 0.000 0.429 450 Y N 4.196 124.344 120.300 -0.255 0.000 2.304 450 Y HA 0.376 4.926 4.550 -0.000 0.000 0.327 450 Y C 0.205 175.939 175.900 -0.275 0.000 1.209 450 Y CA -0.381 57.577 58.100 -0.237 0.000 1.299 450 Y CB 0.715 39.041 38.460 -0.223 0.000 1.249 450 Y HN 0.379 nan 8.280 nan 0.000 0.519 451 L N 2.536 123.668 121.223 -0.151 0.000 2.417 451 L HA 0.533 4.873 4.340 -0.000 0.000 0.268 451 L C 0.293 177.010 176.870 -0.254 0.000 1.158 451 L CA 0.145 54.757 54.840 -0.380 0.000 0.819 451 L CB 0.278 41.922 42.059 -0.692 0.000 1.112 451 L HN 0.838 nan 8.230 nan 0.000 0.458 452 A N 1.708 124.341 122.820 -0.312 0.000 2.583 452 A HA 0.464 4.784 4.320 -0.000 0.000 0.289 452 A C -0.805 176.475 177.584 -0.508 0.000 1.151 452 A CA -0.742 51.091 52.037 -0.339 0.000 0.695 452 A CB 0.686 19.602 19.000 -0.140 0.000 1.290 452 A HN 0.614 nan 8.150 nan 0.000 0.419 453 D N -0.440 119.734 120.400 -0.377 0.000 2.390 453 D HA 0.340 4.979 4.640 -0.000 0.000 0.236 453 D C 1.286 177.512 176.300 -0.125 0.000 1.189 453 D CA 2.128 55.989 54.000 -0.231 0.000 0.887 453 D CB 0.474 41.252 40.800 -0.037 0.000 1.198 453 D HN 1.502 nan 8.370 nan 0.000 0.444 454 G N 1.735 110.491 108.800 -0.075 0.000 2.198 454 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 454 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 454 G C 0.301 175.250 174.900 0.082 0.000 1.025 454 G CA 0.896 46.011 45.100 0.026 0.000 0.769 454 G HN 0.849 nan 8.290 nan 0.000 0.507 455 H N -2.144 116.881 119.070 -0.076 0.000 2.692 455 H HA -0.072 4.484 4.556 -0.000 0.000 0.316 455 H C 1.459 176.795 175.328 0.013 0.000 1.176 455 H CA 1.990 57.956 56.048 -0.137 0.000 1.142 455 H CB -1.246 28.346 29.762 -0.282 0.000 1.475 455 H HN 1.297 nan 8.280 nan 0.000 0.423 456 G N -0.637 108.239 108.800 0.127 0.000 2.601 456 G HA2 0.717 4.677 3.960 -0.000 0.000 0.317 456 G HA3 0.717 4.677 3.960 -0.000 0.000 0.317 456 G C -0.710 174.226 174.900 0.060 0.000 1.246 456 G CA -0.919 44.225 45.100 0.073 0.000 1.012 456 G HN 0.169 nan 8.290 nan 0.000 0.494 457 L N 0.010 121.219 121.223 -0.023 0.000 2.431 457 L HA 0.667 5.007 4.340 -0.000 0.000 0.266 457 L C -0.379 176.402 176.870 -0.149 0.000 0.978 457 L CA -0.732 54.039 54.840 -0.115 0.000 0.822 457 L CB 2.405 44.370 42.059 -0.157 0.000 1.310 457 L HN 0.621 nan 8.230 nan 0.000 0.409 458 S N 0.614 116.212 115.700 -0.170 0.000 2.537 458 S HA 0.517 4.987 4.470 -0.000 0.000 0.270 458 S C -0.046 174.488 174.600 -0.110 0.000 1.142 458 S CA -0.482 57.644 58.200 -0.123 0.000 0.870 458 S CB 1.104 64.300 63.200 -0.007 0.000 1.112 458 S HN 0.458 nan 8.310 nan 0.000 0.466 459 F N 1.695 121.698 119.950 0.088 0.000 2.748 459 F HA 0.152 4.679 4.527 -0.000 0.000 0.299 459 F C 1.435 177.369 175.800 0.223 0.000 1.154 459 F CA 0.346 58.420 58.000 0.124 0.000 1.446 459 F CB 0.304 39.337 39.000 0.055 0.000 1.112 459 F HN 0.380 nan 8.300 nan 0.000 0.584 460 T N -0.863 113.866 114.554 0.291 0.000 2.771 460 T HA 0.066 4.416 4.350 -0.000 0.000 0.291 460 T C -0.544 174.166 174.700 0.018 0.000 0.954 460 T CA -0.411 61.794 62.100 0.176 0.000 1.045 460 T CB 0.313 69.240 68.868 0.098 0.000 0.917 460 T HN 0.122 nan 8.240 nan 0.000 0.484 461 H N 4.854 123.750 119.070 -0.291 0.000 3.091 461 H HA 0.201 4.757 4.556 -0.000 0.000 0.289 461 H C -2.158 172.918 175.328 -0.420 0.000 0.995 461 H CA -1.438 54.104 56.048 -0.842 0.000 1.461 461 H CB 0.354 29.730 29.762 -0.644 0.000 1.510 461 H HN 0.277 nan 8.280 nan 0.000 0.546 462 P HA 0.061 nan 4.420 nan 0.000 0.276 462 P C -0.043 177.304 177.300 0.079 0.000 1.243 462 P CA -0.060 63.010 63.100 -0.050 0.000 0.768 462 P CB 1.345 33.007 31.700 -0.064 0.000 0.856 463 A N 3.922 126.760 122.820 0.031 0.000 1.877 463 A HA 0.093 4.413 4.320 -0.000 0.000 0.216 463 A C 1.228 178.812 177.584 0.001 0.000 1.186 463 A CA 1.439 53.476 52.037 -0.000 0.000 0.620 463 A CB -1.103 17.879 19.000 -0.031 0.000 0.822 463 A HN 0.616 nan 8.150 nan 0.000 0.443 464 A N 0.581 123.400 122.820 -0.002 0.000 2.388 464 A HA 0.444 4.764 4.320 -0.000 0.000 0.257 464 A C -0.423 177.144 177.584 -0.029 0.000 1.095 464 A CA -0.485 51.545 52.037 -0.012 0.000 0.791 464 A CB 0.121 19.115 19.000 -0.010 0.000 1.029 464 A HN 0.459 nan 8.150 nan 0.000 0.489 465 D N 0.288 120.660 120.400 -0.048 0.000 2.313 465 D HA 0.538 5.178 4.640 -0.000 0.000 0.247 465 D C 0.363 176.482 176.300 -0.301 0.000 1.094 465 D CA 0.991 54.925 54.000 -0.109 0.000 0.925 465 D CB 1.711 42.536 40.800 0.041 0.000 1.188 465 D HN 0.801 nan 8.370 nan 0.000 0.430 466 G N -1.074 107.272 108.800 -0.755 0.000 2.523 466 G HA2 0.615 4.575 3.960 -0.000 0.000 0.291 466 G HA3 0.615 4.575 3.960 -0.000 0.000 0.291 466 G C -2.003 172.127 174.900 -1.284 0.000 1.450 466 G CA -0.355 44.236 45.100 -0.848 0.000 0.790 466 G HN 0.609 nan 8.290 nan 0.000 0.496 467 A N 0.157 122.576 122.820 -0.668 0.000 2.589 467 A HA 0.764 5.084 4.320 -0.000 0.000 0.296 467 A C -2.084 175.509 177.584 0.015 0.000 1.062 467 A CA -0.668 51.183 52.037 -0.309 0.000 0.686 467 A CB 2.021 20.918 19.000 -0.172 0.000 1.282 467 A HN 0.498 nan 8.150 nan 0.000 0.404 468 D N 1.098 121.590 120.400 0.153 0.000 2.498 468 D HA 0.650 5.290 4.640 -0.000 0.000 0.247 468 D C -0.523 175.908 176.300 0.219 0.000 1.070 468 D CA 0.045 54.154 54.000 0.182 0.000 0.842 468 D CB 2.128 43.034 40.800 0.177 0.000 1.361 468 D HN 0.387 nan 8.370 nan 0.000 0.484 469 S N 0.995 116.811 115.700 0.193 0.000 2.621 469 S HA 0.746 5.216 4.470 -0.000 0.000 0.302 469 S C -0.774 173.980 174.600 0.257 0.000 1.093 469 S CA -0.820 57.482 58.200 0.170 0.000 1.017 469 S CB 1.221 64.479 63.200 0.096 0.000 1.077 469 S HN 0.484 nan 8.310 nan 0.000 0.517 470 Y N -1.922 118.457 120.300 0.133 0.000 2.544 470 Y HA 0.764 5.314 4.550 -0.000 0.000 0.342 470 Y C -1.428 174.531 175.900 0.099 0.000 1.062 470 Y CA -1.403 56.762 58.100 0.109 0.000 1.023 470 Y CB 0.359 38.888 38.460 0.114 0.000 1.308 470 Y HN 0.327 nan 8.280 nan 0.000 0.457 471 V N 2.584 122.614 119.914 0.194 0.000 2.481 471 V HA 0.499 4.619 4.120 -0.000 0.000 0.286 471 V C -0.229 175.971 176.094 0.177 0.000 1.042 471 V CA -0.396 61.966 62.300 0.103 0.000 0.928 471 V CB 1.482 33.358 31.823 0.088 0.000 0.986 471 V HN 0.828 nan 8.190 nan 0.000 0.462 472 S N 3.218 118.978 115.700 0.101 0.000 2.601 472 S HA 0.329 4.799 4.470 -0.000 0.000 0.312 472 S C -0.867 173.785 174.600 0.087 0.000 1.107 472 S CA -0.673 57.601 58.200 0.123 0.000 1.129 472 S CB 0.504 63.742 63.200 0.063 0.000 0.982 472 S HN 0.825 nan 8.310 nan 0.000 0.469 473 D N 5.274 125.742 120.400 0.114 0.000 2.392 473 D HA 0.454 5.094 4.640 -0.000 0.000 0.228 473 D C -1.820 174.529 176.300 0.081 0.000 1.074 473 D CA -2.271 51.797 54.000 0.114 0.000 0.838 473 D CB 1.962 42.869 40.800 0.178 0.000 1.067 473 D HN 0.219 nan 8.370 nan 0.000 0.511 474 P HA -0.011 nan 4.420 nan 0.000 0.225 474 P C 0.783 177.983 177.300 -0.167 0.000 1.148 474 P CA 0.656 63.744 63.100 -0.019 0.000 0.779 474 P CB 0.294 32.064 31.700 0.116 0.000 0.780 475 A N -1.288 121.443 122.820 -0.148 0.000 2.066 475 A HA -0.100 4.220 4.320 -0.000 0.000 0.218 475 A C 0.522 177.796 177.584 -0.516 0.000 1.157 475 A CA 1.099 52.934 52.037 -0.337 0.000 0.670 475 A CB -1.052 17.765 19.000 -0.306 0.000 0.804 475 A HN 0.276 nan 8.150 nan 0.000 0.453 476 H N -0.387 118.672 119.070 -0.018 0.000 2.379 476 H HA 0.280 4.836 4.556 -0.000 0.000 0.229 476 H C -2.775 172.600 175.328 0.080 0.000 1.423 476 H CA -1.699 54.387 56.048 0.063 0.000 1.375 476 H CB 0.540 30.346 29.762 0.075 0.000 1.592 476 H HN 0.294 nan 8.280 nan 0.000 0.507 477 P HA 0.009 nan 4.420 nan 0.000 0.275 477 P C 0.154 177.641 177.300 0.310 0.000 1.228 477 P CA -0.337 62.812 63.100 0.082 0.000 0.786 477 P CB 1.685 33.238 31.700 -0.245 0.000 0.927 478 V N 4.572 124.663 119.914 0.296 0.000 2.485 478 V HA 0.068 4.188 4.120 -0.000 0.000 0.287 478 V C -1.890 174.477 176.094 0.455 0.000 1.022 478 V CA -1.128 61.367 62.300 0.324 0.000 1.067 478 V CB -0.269 31.707 31.823 0.255 0.000 0.967 478 V HN 0.560 nan 8.190 nan 0.000 0.479 479 P HA 0.104 nan 4.420 nan 0.000 0.271 479 P C 0.463 177.929 177.300 0.277 0.000 1.220 479 P CA -0.297 63.028 63.100 0.376 0.000 0.768 479 P CB 0.377 32.152 31.700 0.124 0.000 0.848 480 F N 4.755 124.701 119.950 -0.007 0.000 2.234 480 F HA 0.090 4.617 4.527 -0.000 0.000 0.299 480 F C 0.566 176.230 175.800 -0.227 0.000 1.087 480 F CA 0.387 58.234 58.000 -0.254 0.000 1.340 480 F CB -0.647 37.777 39.000 -0.959 0.000 1.031 480 F HN 0.143 nan 8.300 nan 0.000 0.500 481 I N -2.835 117.139 120.570 -0.994 0.000 2.994 481 I HA 0.487 4.657 4.170 -0.000 0.000 0.306 481 I C -0.277 175.570 176.117 -0.450 0.000 1.195 481 I CA -1.423 59.440 61.300 -0.728 0.000 1.001 481 I CB 1.766 39.188 38.000 -0.964 0.000 1.244 481 I HN -0.274 nan 8.210 nan 0.000 0.437 482 S N 2.608 118.150 115.700 -0.262 0.000 2.593 482 S HA 0.109 4.579 4.470 -0.000 0.000 0.300 482 S C 0.284 174.801 174.600 -0.138 0.000 1.267 482 S CA -0.260 57.843 58.200 -0.161 0.000 1.065 482 S CB -0.078 63.053 63.200 -0.115 0.000 0.807 482 S HN 0.474 nan 8.310 nan 0.000 0.499 483 R N 2.952 123.375 120.500 -0.127 0.000 2.694 483 R HA 0.265 4.605 4.340 -0.000 0.000 0.268 483 R C -1.928 174.339 176.300 -0.055 0.000 1.061 483 R CA -1.102 54.940 56.100 -0.097 0.000 1.133 483 R CB -0.213 29.973 30.300 -0.190 0.000 1.020 483 R HN 0.453 nan 8.270 nan 0.000 0.475 484 P HA 0.260 nan 4.420 nan 0.000 0.282 484 P C -1.324 176.023 177.300 0.078 0.000 1.259 484 P CA -0.286 62.823 63.100 0.015 0.000 0.826 484 P CB 0.783 32.485 31.700 0.003 0.000 1.064 485 F N 0.360 120.254 119.950 -0.093 0.000 2.596 485 F HA 0.631 5.158 4.527 -0.000 0.000 0.311 485 F C -1.821 173.880 175.800 -0.164 0.000 1.116 485 F CA -0.583 57.331 58.000 -0.144 0.000 0.957 485 F CB 1.760 40.624 39.000 -0.226 0.000 1.250 485 F HN 0.554 nan 8.300 nan 0.000 0.444 486 A N 4.921 127.046 122.820 -1.158 0.000 2.386 486 A HA 0.572 4.892 4.320 -0.000 0.000 0.311 486 A C -0.512 176.174 177.584 -1.498 0.000 1.068 486 A CA -0.620 50.840 52.037 -0.962 0.000 0.743 486 A CB 0.580 19.328 19.000 -0.420 0.000 1.258 486 A HN 0.856 nan 8.150 nan 0.000 0.429 487 F N 1.307 120.765 119.950 -0.820 0.000 2.451 487 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 487 F C 2.442 177.999 175.800 -0.405 0.000 1.101 487 F CA 1.573 59.212 58.000 -0.601 0.000 1.436 487 F CB 0.149 38.895 39.000 -0.423 0.000 1.074 487 F HN 0.655 nan 8.300 nan 0.000 0.553 488 A N -0.674 122.042 122.820 -0.175 0.000 2.066 488 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 488 A C 1.244 178.779 177.584 -0.082 0.000 1.157 488 A CA 0.300 52.279 52.037 -0.097 0.000 0.670 488 A CB -0.492 18.462 19.000 -0.076 0.000 0.804 488 A HN 0.329 nan 8.150 nan 0.000 0.453 489 Q N 0.914 120.623 119.800 -0.153 0.000 2.641 489 Q HA 0.201 4.541 4.340 -0.000 0.000 0.225 489 Q C 0.673 176.764 176.000 0.152 0.000 1.309 489 Q CA -0.259 55.527 55.803 -0.029 0.000 0.935 489 Q CB 0.247 28.945 28.738 -0.066 0.000 1.557 489 Q HN 0.518 nan 8.270 nan 0.000 0.563 490 S N 0.470 116.258 115.700 0.146 0.000 2.382 490 S HA -0.190 4.280 4.470 -0.000 0.000 0.228 490 S C 2.032 176.774 174.600 0.237 0.000 1.027 490 S CA 1.459 59.803 58.200 0.241 0.000 0.991 490 S CB -0.025 63.264 63.200 0.149 0.000 0.823 490 S HN 0.759 nan 8.310 nan 0.000 0.469 491 S N 1.954 117.743 115.700 0.148 0.000 2.419 491 S HA -0.049 4.421 4.470 -0.000 0.000 0.233 491 S C 1.703 176.387 174.600 0.141 0.000 1.016 491 S CA 0.671 58.936 58.200 0.109 0.000 0.974 491 S CB -0.265 62.972 63.200 0.063 0.000 0.786 491 S HN 0.469 nan 8.310 nan 0.000 0.492 492 R N -0.912 119.721 120.500 0.221 0.000 2.189 492 R HA 0.166 4.506 4.340 -0.000 0.000 0.203 492 R C 2.087 178.577 176.300 0.318 0.000 1.012 492 R CA 0.571 56.813 56.100 0.237 0.000 1.015 492 R CB -0.271 30.195 30.300 0.277 0.000 0.938 492 R HN 0.659 nan 8.270 nan 0.000 0.472 493 W N 2.836 124.301 121.300 0.275 0.000 2.408 493 W HA -0.136 4.524 4.660 -0.000 0.000 0.311 493 W C 1.155 177.855 176.519 0.301 0.000 1.190 493 W CA 1.199 58.728 57.345 0.306 0.000 1.321 493 W CB -0.001 29.677 29.460 0.362 0.000 1.143 493 W HN -0.077 nan 8.180 nan 0.000 0.501 494 K N 0.073 120.550 120.400 0.128 0.000 2.015 494 K HA -0.206 4.114 4.320 -0.000 0.000 0.216 494 K C -0.999 175.536 176.600 -0.108 0.000 1.052 494 K CA 2.206 58.470 56.287 -0.039 0.000 0.937 494 K CB -1.614 30.928 32.500 0.071 0.000 0.719 494 K HN 0.169 nan 8.250 nan 0.000 0.446 495 P HA -0.042 nan 4.420 nan 0.000 0.254 495 P C 0.376 177.599 177.300 -0.129 0.000 1.620 495 P CA -0.108 62.926 63.100 -0.110 0.000 1.050 495 P CB -0.578 31.078 31.700 -0.072 0.000 1.539 496 W N 0.337 121.476 121.300 -0.270 0.000 2.363 496 W HA -0.102 4.558 4.660 -0.000 0.000 0.296 496 W C 0.617 177.015 176.519 -0.203 0.000 1.212 496 W CA 0.246 57.425 57.345 -0.276 0.000 1.260 496 W CB -1.413 27.844 29.460 -0.340 0.000 1.131 496 W HN -0.160 nan 8.180 nan 0.000 0.530 497 L N 2.120 122.814 121.223 -0.883 0.000 2.549 497 L HA -0.141 4.199 4.340 -0.000 0.000 0.229 497 L C 2.129 178.744 176.870 -0.426 0.000 1.158 497 L CA 1.056 55.413 54.840 -0.804 0.000 0.842 497 L CB -0.542 41.131 42.059 -0.643 0.000 0.952 497 L HN 0.040 nan 8.230 nan 0.000 0.452 498 V N -5.057 114.586 119.914 -0.452 0.000 3.427 498 V HA 0.190 4.310 4.120 -0.000 0.000 0.305 498 V C 0.888 176.926 176.094 -0.093 0.000 1.412 498 V CA -0.453 61.584 62.300 -0.439 0.000 1.086 498 V CB -0.097 31.265 31.823 -0.768 0.000 0.964 498 V HN 0.131 nan 8.190 nan 0.000 0.439 499 Q N 1.895 121.666 119.800 -0.048 0.000 2.392 499 Q HA 0.218 4.558 4.340 -0.000 0.000 0.262 499 Q C -0.248 175.711 176.000 -0.068 0.000 1.003 499 Q CA 0.203 56.012 55.803 0.009 0.000 0.888 499 Q CB 0.893 29.625 28.738 -0.009 0.000 1.260 499 Q HN 0.545 nan 8.270 nan 0.000 0.435 500 D N 1.528 121.732 120.400 -0.326 0.000 2.493 500 D HA -0.078 4.562 4.640 -0.000 0.000 0.240 500 D C 0.235 176.377 176.300 -0.263 0.000 1.142 500 D CA 0.326 53.922 54.000 -0.675 0.000 0.872 500 D CB 0.736 40.976 40.800 -0.933 0.000 1.173 500 D HN 0.194 nan 8.370 nan 0.000 0.467 501 Q N 3.304 123.002 119.800 -0.169 0.000 2.246 501 Q HA 0.096 4.436 4.340 -0.000 0.000 0.202 501 Q C 1.417 177.384 176.000 -0.056 0.000 0.883 501 Q CA -0.029 55.750 55.803 -0.039 0.000 0.952 501 Q CB 0.226 28.990 28.738 0.044 0.000 1.078 501 Q HN 0.511 nan 8.270 nan 0.000 0.493 502 R N 0.724 121.155 120.500 -0.115 0.000 2.120 502 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 502 R C 1.980 178.242 176.300 -0.062 0.000 1.123 502 R CA 1.167 57.215 56.100 -0.088 0.000 0.975 502 R CB 0.116 30.351 30.300 -0.108 0.000 0.866 502 R HN 0.373 nan 8.270 nan 0.000 0.446 503 E N 0.527 120.692 120.200 -0.059 0.000 2.077 503 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 503 E C 1.837 178.427 176.600 -0.017 0.000 0.989 503 E CA 1.230 57.606 56.400 -0.040 0.000 0.800 503 E CB -0.003 29.672 29.700 -0.041 0.000 0.746 503 E HN 0.360 nan 8.360 nan 0.000 0.452 504 A N 1.257 124.080 122.820 0.004 0.000 1.898 504 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 504 A C 2.052 179.627 177.584 -0.015 0.000 1.181 504 A CA 1.547 53.597 52.037 0.022 0.000 0.620 504 A CB -0.576 18.464 19.000 0.068 0.000 0.819 504 A HN 0.452 nan 8.150 nan 0.000 0.442 505 E N 0.620 120.802 120.200 -0.029 0.000 2.118 505 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 505 E C 1.929 178.491 176.600 -0.065 0.000 0.992 505 E CA 1.549 57.917 56.400 -0.053 0.000 0.804 505 E CB -0.129 29.538 29.700 -0.054 0.000 0.741 505 E HN 0.721 nan 8.360 nan 0.000 0.458 506 S N -0.186 115.483 115.700 -0.051 0.000 2.603 506 S HA -0.002 4.468 4.470 -0.000 0.000 0.229 506 S C 0.699 175.273 174.600 -0.043 0.000 0.972 506 S CA -0.126 58.044 58.200 -0.050 0.000 0.935 506 S CB -0.113 63.061 63.200 -0.043 0.000 0.769 506 S HN 0.104 nan 8.310 nan 0.000 0.536 507 R N 1.707 122.186 120.500 -0.036 0.000 2.486 507 R HA 0.367 4.707 4.340 -0.000 0.000 0.286 507 R C -1.880 174.405 176.300 -0.024 0.000 0.999 507 R CA -2.146 53.942 56.100 -0.021 0.000 0.993 507 R CB 0.518 30.819 30.300 0.001 0.000 1.084 507 R HN 0.106 nan 8.270 nan 0.000 0.487 508 P HA -0.071 nan 4.420 nan 0.000 0.241 508 P C -0.351 176.995 177.300 0.076 0.000 1.191 508 P CA 0.856 63.971 63.100 0.025 0.000 0.771 508 P CB 0.211 31.931 31.700 0.032 0.000 0.929 509 D N -0.659 119.780 120.400 0.065 0.000 2.491 509 D HA 0.154 4.794 4.640 -0.000 0.000 0.228 509 D C -0.087 176.138 176.300 -0.125 0.000 1.183 509 D CA -0.816 53.263 54.000 0.132 0.000 0.827 509 D CB -0.268 40.634 40.800 0.169 0.000 0.989 509 D HN -0.063 nan 8.370 nan 0.000 0.494 510 V N 0.345 120.105 119.914 -0.256 0.000 2.808 510 V HA 0.405 4.525 4.120 -0.000 0.000 0.308 510 V C -0.462 175.433 176.094 -0.332 0.000 1.099 510 V CA -1.181 60.898 62.300 -0.368 0.000 0.920 510 V CB 2.408 34.139 31.823 -0.153 0.000 1.014 510 V HN 0.181 nan 8.190 nan 0.000 0.425 511 V N 1.173 120.876 119.914 -0.351 0.000 2.459 511 V HA 0.861 4.981 4.120 -0.000 0.000 0.295 511 V C -0.210 175.824 176.094 -0.101 0.000 1.029 511 V CA -0.216 61.997 62.300 -0.145 0.000 0.874 511 V CB 1.577 33.429 31.823 0.048 0.000 0.985 511 V HN 0.816 nan 8.190 nan 0.000 0.438 512 T N 4.887 119.325 114.554 -0.193 0.000 2.841 512 T HA 0.746 5.096 4.350 -0.000 0.000 0.283 512 T C -1.271 173.270 174.700 -0.263 0.000 1.000 512 T CA -0.140 61.882 62.100 -0.130 0.000 0.977 512 T CB 1.202 70.006 68.868 -0.105 0.000 0.979 512 T HN 0.669 nan 8.240 nan 0.000 0.446 513 Y N 1.369 121.698 120.300 0.048 0.000 2.462 513 Y HA 0.573 5.123 4.550 -0.000 0.000 0.346 513 Y C 0.300 176.192 175.900 -0.013 0.000 0.976 513 Y CA -1.123 56.994 58.100 0.029 0.000 1.044 513 Y CB 1.870 40.319 38.460 -0.019 0.000 1.230 513 Y HN 0.710 nan 8.280 nan 0.000 0.455 514 E N -0.588 119.683 120.200 0.119 0.000 2.390 514 E HA 0.569 4.919 4.350 -0.000 0.000 0.277 514 E C -1.251 175.355 176.600 0.011 0.000 0.939 514 E CA -1.211 55.215 56.400 0.043 0.000 0.769 514 E CB 1.986 31.703 29.700 0.029 0.000 1.251 514 E HN 0.524 nan 8.360 nan 0.000 0.450 515 T N -0.471 114.067 114.554 -0.026 0.000 2.847 515 T HA 0.259 4.609 4.350 -0.000 0.000 0.279 515 T C 0.419 175.121 174.700 0.003 0.000 0.984 515 T CA -0.868 61.211 62.100 -0.035 0.000 0.988 515 T CB 0.924 69.752 68.868 -0.066 0.000 1.040 515 T HN 0.451 nan 8.240 nan 0.000 0.528 516 E N 0.185 120.394 120.200 0.014 0.000 2.410 516 E HA 0.160 4.510 4.350 -0.000 0.000 0.255 516 E C 0.355 176.981 176.600 0.043 0.000 1.194 516 E CA -0.319 56.098 56.400 0.029 0.000 0.955 516 E CB 0.799 30.519 29.700 0.033 0.000 0.988 516 E HN 0.622 nan 8.360 nan 0.000 0.461 517 V N 1.665 121.608 119.914 0.048 0.000 2.655 517 V HA 0.035 4.155 4.120 -0.000 0.000 0.300 517 V C 0.081 176.222 176.094 0.079 0.000 1.044 517 V CA -0.201 62.139 62.300 0.067 0.000 1.095 517 V CB -0.070 31.788 31.823 0.058 0.000 0.952 517 V HN 0.395 nan 8.190 nan 0.000 0.485 518 L N 6.064 127.352 121.223 0.108 0.000 2.410 518 L HA 0.306 4.646 4.340 -0.000 0.000 0.273 518 L C 0.983 177.911 176.870 0.096 0.000 1.144 518 L CA -0.185 54.721 54.840 0.111 0.000 0.863 518 L CB 0.454 42.599 42.059 0.143 0.000 1.140 518 L HN 0.701 nan 8.230 nan 0.000 0.463 519 D N 0.869 121.316 120.400 0.078 0.000 2.271 519 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 519 D C 0.340 176.674 176.300 0.057 0.000 0.967 519 D CA 1.058 55.095 54.000 0.062 0.000 0.867 519 D CB 0.577 41.407 40.800 0.050 0.000 0.960 519 D HN 0.451 nan 8.370 nan 0.000 0.509 520 E N 0.785 121.022 120.200 0.062 0.000 2.272 520 E HA 0.310 4.660 4.350 -0.000 0.000 0.269 520 E C -2.457 174.181 176.600 0.063 0.000 0.877 520 E CA -1.960 54.469 56.400 0.049 0.000 0.755 520 E CB 2.612 32.332 29.700 0.033 0.000 1.192 520 E HN -0.041 nan 8.360 nan 0.000 0.422 521 P HA 0.067 nan 4.420 nan 0.000 0.272 521 P C -0.266 177.082 177.300 0.079 0.000 1.223 521 P CA -0.346 62.790 63.100 0.059 0.000 0.784 521 P CB 0.698 32.403 31.700 0.009 0.000 0.923 522 V N 1.569 121.575 119.914 0.154 0.000 2.487 522 V HA 0.533 4.653 4.120 -0.000 0.000 0.298 522 V C -0.287 175.929 176.094 0.203 0.000 1.028 522 V CA -0.946 61.453 62.300 0.164 0.000 0.860 522 V CB 1.440 33.388 31.823 0.208 0.000 0.991 522 V HN 0.370 nan 8.190 nan 0.000 0.427 523 R N 4.217 124.779 120.500 0.103 0.000 2.349 523 R HA 0.776 5.116 4.340 -0.000 0.000 0.299 523 R C -0.599 175.767 176.300 0.110 0.000 1.027 523 R CA -0.498 55.646 56.100 0.073 0.000 0.958 523 R CB 1.917 32.234 30.300 0.028 0.000 1.047 523 R HN 0.954 nan 8.270 nan 0.000 0.468 524 V N -1.311 118.675 119.914 0.120 0.000 2.709 524 V HA 0.730 4.850 4.120 -0.000 0.000 0.308 524 V C -0.587 175.562 176.094 0.092 0.000 1.062 524 V CA -0.592 61.786 62.300 0.130 0.000 0.901 524 V CB 2.084 34.049 31.823 0.236 0.000 1.003 524 V HN 0.701 nan 8.190 nan 0.000 0.425 525 S N 2.634 118.372 115.700 0.063 0.000 2.536 525 S HA 0.852 5.322 4.470 -0.000 0.000 0.246 525 S C -0.158 174.441 174.600 -0.000 0.000 1.077 525 S CA 0.637 58.901 58.200 0.106 0.000 1.091 525 S CB 0.402 63.666 63.200 0.105 0.000 1.148 525 S HN 2.495 nan 8.310 nan 0.000 0.447 526 G N 1.442 110.275 108.800 0.056 0.000 2.332 526 G HA2 0.301 4.260 3.960 -0.000 0.000 0.265 526 G HA3 0.301 4.260 3.960 -0.000 0.000 0.265 526 G C -1.098 173.755 174.900 -0.080 0.000 1.329 526 G CA 0.018 44.976 45.100 -0.238 0.000 0.949 526 G HN 1.707 nan 8.290 nan 0.000 0.476 527 V N 0.054 119.875 119.914 -0.154 0.000 2.347 527 V HA 0.792 4.912 4.120 -0.000 0.000 0.280 527 V C -2.366 173.691 176.094 -0.061 0.000 1.021 527 V CA -1.757 60.499 62.300 -0.074 0.000 0.847 527 V CB 1.222 32.992 31.823 -0.089 0.000 0.990 527 V HN 0.628 nan 8.190 nan 0.000 0.444 528 P HA 0.463 nan 4.420 nan 0.000 0.274 528 P C -0.945 176.303 177.300 -0.087 0.000 1.246 528 P CA -0.311 62.761 63.100 -0.047 0.000 0.795 528 P CB 1.092 32.782 31.700 -0.016 0.000 1.006 529 V N 0.248 120.064 119.914 -0.162 0.000 2.623 529 V HA 0.555 4.675 4.120 -0.000 0.000 0.304 529 V C -0.113 175.719 176.094 -0.435 0.000 1.054 529 V CA -1.026 61.093 62.300 -0.303 0.000 0.882 529 V CB 1.601 33.231 31.823 -0.321 0.000 1.002 529 V HN 0.672 nan 8.190 nan 0.000 0.424 530 A N 2.609 125.022 122.820 -0.678 0.000 2.347 530 A HA 0.545 4.865 4.320 -0.000 0.000 0.287 530 A C -0.174 176.971 177.584 -0.732 0.000 1.199 530 A CA -0.001 51.577 52.037 -0.766 0.000 0.851 530 A CB -0.038 18.193 19.000 -1.281 0.000 1.118 530 A HN 0.876 nan 8.150 nan 0.000 0.525 531 D N 2.641 122.796 120.400 -0.409 0.000 2.485 531 D HA 0.418 5.058 4.640 -0.000 0.000 0.256 531 D C -0.959 175.237 176.300 -0.174 0.000 1.141 531 D CA -0.110 53.769 54.000 -0.201 0.000 0.942 531 D CB 0.344 41.149 40.800 0.009 0.000 1.003 531 D HN 0.360 nan 8.370 nan 0.000 0.507 532 L N 3.350 124.422 121.223 -0.252 0.000 2.295 532 L HA 0.592 4.932 4.340 -0.000 0.000 0.285 532 L C -1.512 175.203 176.870 -0.258 0.000 1.035 532 L CA -0.369 54.359 54.840 -0.187 0.000 0.806 532 L CB 0.689 42.632 42.059 -0.194 0.000 1.214 532 L HN 0.133 nan 8.230 nan 0.000 0.426 533 F N 5.334 125.295 119.950 0.019 0.000 2.359 533 F HA 0.748 5.275 4.527 -0.000 0.000 0.369 533 F C 0.283 176.061 175.800 -0.037 0.000 1.084 533 F CA -0.234 57.770 58.000 0.006 0.000 1.096 533 F CB 1.305 40.288 39.000 -0.029 0.000 1.335 533 F HN 0.646 nan 8.300 nan 0.000 0.457 534 A N 2.009 124.833 122.820 0.007 0.000 2.498 534 A HA 0.971 5.291 4.320 -0.000 0.000 0.298 534 A C -1.367 176.209 177.584 -0.014 0.000 1.075 534 A CA -0.672 51.266 52.037 -0.166 0.000 0.714 534 A CB 1.417 19.905 19.000 -0.853 0.000 1.299 534 A HN 0.753 nan 8.150 nan 0.000 0.407 535 A N 0.241 123.117 122.820 0.094 0.000 2.401 535 A HA 0.906 5.226 4.320 -0.000 0.000 0.310 535 A C -0.296 177.473 177.584 0.307 0.000 1.075 535 A CA -0.260 51.896 52.037 0.198 0.000 0.746 535 A CB 1.682 20.763 19.000 0.134 0.000 1.277 535 A HN 1.434 nan 8.150 nan 0.000 0.425 536 T N -0.580 114.157 114.554 0.305 0.000 2.900 536 T HA 0.468 4.818 4.350 -0.000 0.000 0.295 536 T C 1.088 175.866 174.700 0.131 0.000 1.044 536 T CA 0.275 62.512 62.100 0.229 0.000 0.995 536 T CB 1.302 70.310 68.868 0.232 0.000 1.072 536 T HN 1.308 nan 8.240 nan 0.000 0.473 537 S N 1.884 117.630 115.700 0.077 0.000 2.527 537 S HA 0.274 4.744 4.470 -0.000 0.000 0.222 537 S C 1.135 175.767 174.600 0.053 0.000 0.985 537 S CA 0.150 58.384 58.200 0.058 0.000 0.921 537 S CB -0.212 63.013 63.200 0.040 0.000 0.772 537 S HN 0.876 nan 8.310 nan 0.000 0.529 538 G N 1.036 109.868 108.800 0.054 0.000 2.531 538 G HA2 0.443 4.403 3.960 -0.000 0.000 0.281 538 G HA3 0.443 4.403 3.960 -0.000 0.000 0.281 538 G C 0.425 175.366 174.900 0.070 0.000 1.382 538 G CA 0.073 45.202 45.100 0.048 0.000 1.045 538 G HN 0.379 nan 8.290 nan 0.000 0.533 539 T N -2.825 111.774 114.554 0.074 0.000 3.129 539 T HA 0.347 4.697 4.350 -0.000 0.000 0.267 539 T C -0.243 174.539 174.700 0.138 0.000 1.018 539 T CA -0.103 62.053 62.100 0.094 0.000 0.903 539 T CB 0.329 69.253 68.868 0.093 0.000 1.067 539 T HN 0.410 nan 8.240 nan 0.000 0.549 540 D N -0.438 120.030 120.400 0.112 0.000 2.653 540 D HA 0.644 5.284 4.640 -0.000 0.000 0.258 540 D C -1.586 174.717 176.300 0.004 0.000 1.252 540 D CA -0.184 53.881 54.000 0.108 0.000 0.777 540 D CB 2.086 42.952 40.800 0.110 0.000 1.339 540 D HN 0.035 nan 8.370 nan 0.000 0.422 541 S N 0.219 115.876 115.700 -0.072 0.000 2.680 541 S HA 0.338 4.808 4.470 -0.000 0.000 0.284 541 S C -2.093 172.200 174.600 -0.513 0.000 1.055 541 S CA -0.786 57.199 58.200 -0.358 0.000 0.849 541 S CB 1.249 64.063 63.200 -0.644 0.000 1.068 541 S HN 0.386 nan 8.310 nan 0.000 0.453 542 D N 0.476 120.508 120.400 -0.613 0.000 2.217 542 D HA 0.612 5.252 4.640 -0.000 0.000 0.248 542 D C -1.195 174.647 176.300 -0.763 0.000 1.008 542 D CA -0.014 53.707 54.000 -0.464 0.000 0.914 542 D CB 0.888 41.572 40.800 -0.192 0.000 1.182 542 D HN 0.439 nan 8.370 nan 0.000 0.451 543 W N 0.842 122.111 121.300 -0.051 0.000 2.647 543 W HA 0.464 5.124 4.660 -0.000 0.000 0.328 543 W C -0.962 175.523 176.519 -0.057 0.000 1.018 543 W CA -0.897 56.411 57.345 -0.061 0.000 1.245 543 W CB 1.304 30.657 29.460 -0.177 0.000 1.356 543 W HN -0.075 nan 8.180 nan 0.000 0.443 544 V N 4.553 124.514 119.914 0.078 0.000 2.394 544 V HA 0.517 4.637 4.120 -0.000 0.000 0.282 544 V C -0.328 175.750 176.094 -0.026 0.000 1.031 544 V CA -0.906 61.292 62.300 -0.168 0.000 0.881 544 V CB 1.368 32.825 31.823 -0.610 0.000 0.982 544 V HN 0.296 nan 8.190 nan 0.000 0.451 545 V N 5.911 125.858 119.914 0.054 0.000 2.483 545 V HA 0.502 4.622 4.120 -0.000 0.000 0.297 545 V C -0.258 175.880 176.094 0.074 0.000 1.027 545 V CA -0.911 61.444 62.300 0.092 0.000 0.855 545 V CB 1.865 33.776 31.823 0.145 0.000 0.995 545 V HN 0.852 nan 8.190 nan 0.000 0.424 546 K N 4.489 124.925 120.400 0.060 0.000 2.292 546 K HA 0.689 5.009 4.320 -0.000 0.000 0.257 546 K C -1.317 175.342 176.600 0.099 0.000 0.940 546 K CA -0.880 55.471 56.287 0.106 0.000 0.811 546 K CB 2.694 35.264 32.500 0.116 0.000 1.120 546 K HN 0.431 nan 8.250 nan 0.000 0.428 547 L N 4.584 125.879 121.223 0.120 0.000 2.287 547 L HA 0.532 4.872 4.340 -0.000 0.000 0.287 547 L C -1.288 175.684 176.870 0.170 0.000 1.022 547 L CA -0.276 54.633 54.840 0.116 0.000 0.814 547 L CB 0.694 42.822 42.059 0.115 0.000 1.217 547 L HN 0.595 nan 8.230 nan 0.000 0.420 548 I N 3.658 124.334 120.570 0.177 0.000 2.689 548 I HA 0.369 4.539 4.170 -0.000 0.000 0.299 548 I C -1.038 175.289 176.117 0.351 0.000 1.059 548 I CA -0.730 60.704 61.300 0.224 0.000 1.055 548 I CB 2.178 40.275 38.000 0.161 0.000 1.243 548 I HN 0.506 nan 8.210 nan 0.000 0.425 549 D N 5.021 125.663 120.400 0.403 0.000 2.392 549 D HA 0.289 4.929 4.640 -0.000 0.000 0.228 549 D C -0.919 175.616 176.300 0.391 0.000 1.074 549 D CA -0.276 54.061 54.000 0.560 0.000 0.838 549 D CB 1.481 42.567 40.800 0.477 0.000 1.067 549 D HN 0.073 nan 8.370 nan 0.000 0.511 550 V N 5.263 125.375 119.914 0.330 0.000 2.408 550 V HA 0.127 4.247 4.120 -0.000 0.000 0.267 550 V C 0.759 176.934 176.094 0.135 0.000 1.047 550 V CA -0.737 61.683 62.300 0.199 0.000 0.937 550 V CB 0.934 32.833 31.823 0.126 0.000 0.999 550 V HN 0.492 nan 8.190 nan 0.000 0.472 551 Q N 5.448 125.284 119.800 0.059 0.000 2.492 551 Q HA 0.242 4.582 4.340 -0.000 0.000 0.238 551 Q C -2.233 173.607 176.000 -0.267 0.000 1.045 551 Q CA -1.942 53.733 55.803 -0.212 0.000 0.934 551 Q CB -0.124 28.584 28.738 -0.049 0.000 1.276 551 Q HN 0.431 nan 8.270 nan 0.000 0.521 552 P HA -0.067 nan 4.420 nan 0.000 0.265 552 P C 0.053 177.306 177.300 -0.078 0.000 1.187 552 P CA 0.522 63.509 63.100 -0.188 0.000 0.766 552 P CB 0.411 32.023 31.700 -0.147 0.000 0.820 553 A N 3.630 126.428 122.820 -0.037 0.000 1.971 553 A HA -0.182 4.138 4.320 -0.000 0.000 0.222 553 A C 0.946 178.522 177.584 -0.012 0.000 1.182 553 A CA 1.886 53.914 52.037 -0.015 0.000 0.649 553 A CB -0.681 18.316 19.000 -0.006 0.000 0.818 553 A HN 0.500 nan 8.150 nan 0.000 0.458 554 M N -0.692 118.898 119.600 -0.016 0.000 2.393 554 M HA 0.341 4.821 4.480 -0.000 0.000 0.299 554 M C -0.899 175.390 176.300 -0.019 0.000 1.103 554 M CA -0.107 55.186 55.300 -0.012 0.000 0.910 554 M CB 1.774 34.370 32.600 -0.006 0.000 1.659 554 M HN 0.263 nan 8.290 nan 0.000 0.445 555 T N -1.030 113.514 114.554 -0.017 0.000 3.141 555 T HA 0.427 4.777 4.350 -0.000 0.000 0.377 555 T C -2.134 172.558 174.700 -0.014 0.000 1.258 555 T CA -1.329 60.759 62.100 -0.020 0.000 1.263 555 T CB 0.713 69.563 68.868 -0.030 0.000 1.066 555 T HN 0.380 nan 8.240 nan 0.000 0.546 556 P HA -0.010 nan 4.420 nan 0.000 0.222 556 P C 0.468 177.762 177.300 -0.010 0.000 1.147 556 P CA 0.838 63.934 63.100 -0.008 0.000 0.790 556 P CB 0.295 31.992 31.700 -0.004 0.000 0.780 557 D N -0.599 119.794 120.400 -0.011 0.000 2.277 557 D HA -0.039 4.601 4.640 -0.000 0.000 0.208 557 D C 0.387 176.674 176.300 -0.022 0.000 0.962 557 D CA 1.249 55.241 54.000 -0.014 0.000 0.865 557 D CB -0.197 40.597 40.800 -0.011 0.000 0.939 557 D HN 0.175 nan 8.370 nan 0.000 0.510 558 D N -1.232 119.152 120.400 -0.027 0.000 2.586 558 D HA 0.163 4.803 4.640 -0.000 0.000 0.254 558 D C -2.081 174.200 176.300 -0.031 0.000 1.248 558 D CA -1.888 52.090 54.000 -0.037 0.000 0.843 558 D CB 1.307 42.072 40.800 -0.058 0.000 1.332 558 D HN -0.240 nan 8.370 nan 0.000 0.523 559 P HA -0.222 nan 4.420 nan 0.000 0.216 559 P C 1.241 178.540 177.300 -0.001 0.000 1.154 559 P CA 1.610 64.704 63.100 -0.010 0.000 0.865 559 P CB 0.099 31.794 31.700 -0.008 0.000 0.789 560 K N -1.149 119.250 120.400 -0.002 0.000 2.360 560 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 560 K C 1.421 178.057 176.600 0.060 0.000 1.046 560 K CA 1.266 57.567 56.287 0.024 0.000 0.945 560 K CB -0.568 31.941 32.500 0.015 0.000 0.750 560 K HN 0.075 nan 8.250 nan 0.000 0.464 561 M N 1.538 121.142 119.600 0.007 0.000 2.618 561 M HA 0.105 4.585 4.480 -0.000 0.000 0.240 561 M C 0.702 177.039 176.300 0.061 0.000 1.123 561 M CA 0.224 55.526 55.300 0.002 0.000 1.060 561 M CB -0.323 32.201 32.600 -0.125 0.000 1.535 561 M HN 0.218 nan 8.290 nan 0.000 0.507 562 G N 0.480 109.305 108.800 0.041 0.000 2.307 562 G HA2 0.327 4.287 3.960 -0.000 0.000 0.271 562 G HA3 0.327 4.287 3.960 -0.000 0.000 0.271 562 G C 1.100 176.026 174.900 0.045 0.000 1.191 562 G CA 0.400 45.514 45.100 0.024 0.000 1.024 562 G HN 0.701 nan 8.290 nan 0.000 0.441 563 G N 1.718 110.539 108.800 0.035 0.000 2.148 563 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 563 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 563 G C 0.401 175.351 174.900 0.083 0.000 0.981 563 G CA 0.536 45.660 45.100 0.039 0.000 0.670 563 G HN 1.080 nan 8.290 nan 0.000 0.528 564 Y N 1.607 121.896 120.300 -0.018 0.000 2.632 564 Y HA 0.366 4.916 4.550 -0.000 0.000 0.329 564 Y C 0.819 176.731 175.900 0.021 0.000 1.174 564 Y CA 0.387 58.484 58.100 -0.005 0.000 1.469 564 Y CB 0.492 38.943 38.460 -0.015 0.000 1.242 564 Y HN 0.331 nan 8.280 nan 0.000 0.540 565 E N 6.952 127.123 120.200 -0.049 0.000 1.924 565 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 565 E C -1.210 175.448 176.600 0.097 0.000 1.088 565 E CA -0.556 55.870 56.400 0.043 0.000 0.909 565 E CB 0.349 30.039 29.700 -0.017 0.000 1.112 565 E HN 0.412 nan 8.360 nan 0.000 0.425 566 L N 5.132 126.541 121.223 0.310 0.000 2.325 566 L HA 0.299 4.639 4.340 -0.000 0.000 0.284 566 L C -2.563 174.442 176.870 0.225 0.000 1.089 566 L CA -2.086 52.949 54.840 0.325 0.000 0.836 566 L CB 0.296 42.541 42.059 0.310 0.000 1.184 566 L HN 0.144 nan 8.230 nan 0.000 0.444 567 P HA 0.093 nan 4.420 nan 0.000 0.276 567 P C 0.555 178.036 177.300 0.302 0.000 1.243 567 P CA -0.236 62.994 63.100 0.216 0.000 0.768 567 P CB 1.099 32.920 31.700 0.201 0.000 0.856 568 V N 0.501 120.543 119.914 0.213 0.000 3.307 568 V HA 0.258 4.378 4.120 -0.000 0.000 0.253 568 V C 0.552 176.681 176.094 0.059 0.000 1.149 568 V CA 0.628 63.002 62.300 0.122 0.000 1.112 568 V CB -0.056 31.662 31.823 -0.175 0.000 0.777 568 V HN 0.544 nan 8.190 nan 0.000 0.464 569 S N 1.043 116.816 115.700 0.122 0.000 2.590 569 S HA 0.729 5.199 4.470 -0.000 0.000 0.286 569 S C -0.959 173.750 174.600 0.181 0.000 1.147 569 S CA -0.671 57.596 58.200 0.113 0.000 0.963 569 S CB 0.991 64.233 63.200 0.070 0.000 1.124 569 S HN 0.597 nan 8.310 nan 0.000 0.458 570 M N 2.842 122.592 119.600 0.250 0.000 2.531 570 M HA 0.796 5.276 4.480 -0.000 0.000 0.286 570 M C -1.557 175.018 176.300 0.459 0.000 1.232 570 M CA -0.778 54.720 55.300 0.330 0.000 0.877 570 M CB 2.226 35.064 32.600 0.397 0.000 1.726 570 M HN 0.480 nan 8.290 nan 0.000 0.463 571 D N 0.507 121.172 120.400 0.443 0.000 2.692 571 D HA 0.645 5.285 4.640 -0.000 0.000 0.290 571 D C -2.027 174.483 176.300 0.349 0.000 1.281 571 D CA -0.406 53.928 54.000 0.557 0.000 0.804 571 D CB 3.037 44.200 40.800 0.604 0.000 1.331 571 D HN 0.843 nan 8.370 nan 0.000 0.432 572 I N 0.939 121.706 120.570 0.330 0.000 2.689 572 I HA 0.630 4.800 4.170 -0.000 0.000 0.299 572 I C -1.622 174.548 176.117 0.089 0.000 1.059 572 I CA -0.905 60.442 61.300 0.077 0.000 1.055 572 I CB 1.713 39.639 38.000 -0.123 0.000 1.243 572 I HN 0.289 nan 8.210 nan 0.000 0.425 573 F N 6.870 126.690 119.950 -0.217 0.000 2.518 573 F HA 0.516 5.043 4.527 -0.000 0.000 0.323 573 F C -0.389 175.371 175.800 -0.067 0.000 1.129 573 F CA -0.754 57.064 58.000 -0.304 0.000 0.920 573 F CB 1.203 39.617 39.000 -0.977 0.000 1.160 573 F HN 0.427 nan 8.300 nan 0.000 0.440 574 R N 4.034 124.371 120.500 -0.272 0.000 2.242 574 R HA 0.293 4.633 4.340 -0.000 0.000 0.334 574 R C 1.295 177.675 176.300 0.134 0.000 1.071 574 R CA 0.583 56.669 56.100 -0.024 0.000 0.922 574 R CB 0.762 31.106 30.300 0.073 0.000 1.023 574 R HN 0.982 nan 8.270 nan 0.000 0.458 575 G N 5.014 113.999 108.800 0.308 0.000 2.507 575 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.221 575 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.221 575 G C 1.243 176.390 174.900 0.411 0.000 1.119 575 G CA 0.979 46.425 45.100 0.578 0.000 0.751 575 G HN 0.797 nan 8.290 nan 0.000 0.574 576 R N -0.586 119.977 120.500 0.104 0.000 2.241 576 R HA -0.049 4.291 4.340 -0.000 0.000 0.224 576 R C 1.049 177.274 176.300 -0.126 0.000 1.101 576 R CA 1.133 57.210 56.100 -0.039 0.000 0.995 576 R CB -0.551 29.671 30.300 -0.130 0.000 0.870 576 R HN 0.491 nan 8.270 nan 0.000 0.463 577 Y N 0.502 120.955 120.300 0.254 0.000 2.625 577 Y HA 0.300 4.850 4.550 -0.000 0.000 0.285 577 Y C 2.158 178.181 175.900 0.205 0.000 1.168 577 Y CA -0.696 57.521 58.100 0.194 0.000 1.250 577 Y CB 0.112 38.731 38.460 0.266 0.000 1.130 577 Y HN -0.021 nan 8.280 nan 0.000 0.526 578 R N 1.212 121.966 120.500 0.423 0.000 2.096 578 R HA -0.217 4.123 4.340 -0.000 0.000 0.240 578 R C 1.505 177.813 176.300 0.012 0.000 1.139 578 R CA 2.017 58.287 56.100 0.283 0.000 0.952 578 R CB 0.133 30.466 30.300 0.055 0.000 0.854 578 R HN 0.329 nan 8.270 nan 0.000 0.436 579 K N -1.332 119.060 120.400 -0.014 0.000 2.099 579 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 579 K C 0.034 176.581 176.600 -0.088 0.000 1.047 579 K CA 0.668 56.915 56.287 -0.066 0.000 0.963 579 K CB 0.285 32.760 32.500 -0.042 0.000 0.759 579 K HN 0.036 nan 8.250 nan 0.000 0.451 580 D N -1.185 119.189 120.400 -0.042 0.000 2.936 580 D HA 0.129 4.769 4.640 -0.000 0.000 0.238 580 D C -0.038 176.309 176.300 0.079 0.000 1.248 580 D CA -0.541 53.442 54.000 -0.029 0.000 0.903 580 D CB 0.960 41.789 40.800 0.049 0.000 1.544 580 D HN -0.196 nan 8.370 nan 0.000 0.543 581 F N 1.985 122.047 119.950 0.187 0.000 2.269 581 F HA 0.010 4.537 4.527 -0.000 0.000 0.301 581 F C 2.366 178.120 175.800 -0.076 0.000 1.082 581 F CA 1.098 59.110 58.000 0.019 0.000 1.360 581 F CB -0.403 38.478 39.000 -0.199 0.000 1.041 581 F HN 0.498 nan 8.300 nan 0.000 0.512 582 A N -1.319 121.618 122.820 0.196 0.000 2.081 582 A HA 0.050 4.370 4.320 -0.000 0.000 0.214 582 A C 1.024 178.711 177.584 0.171 0.000 1.158 582 A CA 0.588 52.691 52.037 0.110 0.000 0.724 582 A CB -0.004 19.039 19.000 0.072 0.000 0.826 582 A HN -0.051 nan 8.150 nan 0.000 0.463 583 K N 1.404 121.931 120.400 0.211 0.000 2.579 583 K HA 0.321 4.641 4.320 -0.000 0.000 0.225 583 K C -3.158 173.578 176.600 0.227 0.000 0.992 583 K CA -2.006 54.394 56.287 0.189 0.000 1.018 583 K CB 1.562 34.129 32.500 0.112 0.000 1.249 583 K HN 0.192 nan 8.250 nan 0.000 0.489 584 P HA 0.189 nan 4.420 nan 0.000 0.271 584 P C -0.588 176.814 177.300 0.170 0.000 1.216 584 P CA -0.009 63.212 63.100 0.203 0.000 0.776 584 P CB 1.265 33.071 31.700 0.177 0.000 0.881 585 E N 0.445 120.646 120.200 0.003 0.000 2.367 585 E HA 0.566 4.916 4.350 -0.000 0.000 0.273 585 E C -0.669 175.581 176.600 -0.584 0.000 0.903 585 E CA -1.167 55.036 56.400 -0.329 0.000 0.764 585 E CB 2.464 32.058 29.700 -0.177 0.000 1.252 585 E HN 0.476 nan 8.360 nan 0.000 0.446 586 A N 2.447 124.623 122.820 -1.073 0.000 2.425 586 A HA 0.334 4.654 4.320 -0.000 0.000 0.242 586 A C -0.283 177.167 177.584 -0.225 0.000 1.077 586 A CA -0.068 51.539 52.037 -0.716 0.000 0.781 586 A CB 0.182 18.788 19.000 -0.657 0.000 1.020 586 A HN 0.512 nan 8.150 nan 0.000 0.494 587 L N 1.083 122.281 121.223 -0.041 0.000 2.312 587 L HA 0.284 4.624 4.340 -0.000 0.000 0.281 587 L C 0.405 177.294 176.870 0.033 0.000 1.070 587 L CA -0.697 54.172 54.840 0.048 0.000 0.805 587 L CB 1.242 43.408 42.059 0.177 0.000 1.174 587 L HN 0.815 nan 8.230 nan 0.000 0.434 588 Q N 4.874 124.691 119.800 0.028 0.000 2.262 588 Q HA 0.164 4.504 4.340 -0.000 0.000 0.272 588 Q C -2.325 173.706 176.000 0.052 0.000 1.076 588 Q CA -1.187 54.629 55.803 0.021 0.000 0.905 588 Q CB 0.673 29.416 28.738 0.009 0.000 1.182 588 Q HN 0.166 nan 8.270 nan 0.000 0.390 589 P HA -0.017 nan 4.420 nan 0.000 0.266 589 P C -0.674 176.659 177.300 0.055 0.000 1.195 589 P CA 0.259 63.393 63.100 0.057 0.000 0.768 589 P CB 0.553 32.278 31.700 0.043 0.000 0.838 590 D N -1.459 118.983 120.400 0.070 0.000 3.067 590 D HA -0.213 4.427 4.640 -0.000 0.000 0.216 590 D C 0.159 176.495 176.300 0.059 0.000 1.162 590 D CA 1.627 55.666 54.000 0.064 0.000 0.960 590 D CB -1.432 39.395 40.800 0.045 0.000 1.129 590 D HN 0.539 nan 8.370 nan 0.000 0.408 591 A N 0.358 123.215 122.820 0.061 0.000 2.301 591 A HA 0.531 4.851 4.320 -0.000 0.000 0.312 591 A C 0.531 178.151 177.584 0.060 0.000 1.182 591 A CA -0.138 51.925 52.037 0.043 0.000 0.826 591 A CB 0.857 19.873 19.000 0.027 0.000 1.134 591 A HN -0.007 nan 8.150 nan 0.000 0.501 592 T N 3.750 118.325 114.554 0.036 0.000 2.737 592 T HA 0.447 4.797 4.350 -0.000 0.000 0.296 592 T C -0.073 174.659 174.700 0.054 0.000 0.922 592 T CA 0.409 62.540 62.100 0.051 0.000 1.079 592 T CB -0.422 68.439 68.868 -0.012 0.000 0.892 592 T HN 0.417 nan 8.240 nan 0.000 0.514 593 L N 2.675 123.926 121.223 0.046 0.000 2.334 593 L HA 0.447 4.787 4.340 -0.000 0.000 0.273 593 L C 0.453 177.195 176.870 -0.212 0.000 1.013 593 L CA -1.092 53.689 54.840 -0.098 0.000 0.816 593 L CB 1.678 43.605 42.059 -0.220 0.000 1.278 593 L HN 0.646 nan 8.230 nan 0.000 0.431 594 H N 1.823 120.620 119.070 -0.454 0.000 2.604 594 H HA 0.326 4.882 4.556 -0.000 0.000 0.306 594 H C -1.564 173.324 175.328 -0.735 0.000 1.075 594 H CA -0.476 55.174 56.048 -0.664 0.000 1.357 594 H CB 0.658 30.134 29.762 -0.476 0.000 1.426 594 H HN 0.404 nan 8.280 nan 0.000 0.470 595 Y N 3.167 123.142 120.300 -0.542 0.000 2.393 595 Y HA 0.203 4.753 4.550 -0.000 0.000 0.341 595 Y C -0.369 175.209 175.900 -0.537 0.000 0.988 595 Y CA -0.792 56.993 58.100 -0.525 0.000 1.078 595 Y CB 1.523 39.727 38.460 -0.426 0.000 1.203 595 Y HN 0.688 nan 8.280 nan 0.000 0.453 596 H N 4.446 123.260 119.070 -0.426 0.000 3.013 596 H HA 0.578 5.134 4.556 -0.000 0.000 0.326 596 H C -1.649 173.613 175.328 -0.110 0.000 0.973 596 H CA -1.045 54.782 56.048 -0.368 0.000 1.369 596 H CB 0.617 30.118 29.762 -0.436 0.000 1.598 596 H HN 0.507 nan 8.280 nan 0.000 0.518 597 F N 0.975 120.683 119.950 -0.403 0.000 2.654 597 F HA 0.493 5.020 4.527 -0.000 0.000 0.308 597 F C -0.837 174.935 175.800 -0.045 0.000 1.108 597 F CA -1.150 56.743 58.000 -0.178 0.000 0.957 597 F CB 0.892 39.685 39.000 -0.344 0.000 1.309 597 F HN 0.384 nan 8.300 nan 0.000 0.446 598 T N 1.101 115.877 114.554 0.370 0.000 2.897 598 T HA 0.682 5.032 4.350 -0.000 0.000 0.294 598 T C -0.376 174.582 174.700 0.430 0.000 1.004 598 T CA -0.572 61.701 62.100 0.288 0.000 1.106 598 T CB 1.038 70.085 68.868 0.298 0.000 0.949 598 T HN 0.715 nan 8.240 nan 0.000 0.520 599 L N 2.643 124.002 121.223 0.225 0.000 2.332 599 L HA 0.530 4.870 4.340 -0.000 0.000 0.269 599 L C -2.195 174.784 176.870 0.182 0.000 1.016 599 L CA -3.083 51.910 54.840 0.256 0.000 0.809 599 L CB 1.178 43.327 42.059 0.149 0.000 1.280 599 L HN 0.407 nan 8.230 nan 0.000 0.447 600 P HA -0.012 nan 4.420 nan 0.000 0.266 600 P C -0.713 176.601 177.300 0.024 0.000 1.193 600 P CA -0.080 63.074 63.100 0.091 0.000 0.770 600 P CB 0.436 32.183 31.700 0.078 0.000 0.836 601 A N 2.643 125.458 122.820 -0.008 0.000 2.466 601 A HA 0.439 4.759 4.320 -0.000 0.000 0.238 601 A C 0.212 177.761 177.584 -0.059 0.000 1.074 601 A CA 0.083 52.123 52.037 0.005 0.000 0.774 601 A CB -0.251 18.790 19.000 0.069 0.000 1.015 601 A HN 0.472 nan 8.150 nan 0.000 0.498 602 V N -0.831 119.082 119.914 -0.001 0.000 3.040 602 V HA 0.857 4.977 4.120 -0.000 0.000 0.312 602 V C -0.685 175.423 176.094 0.024 0.000 1.115 602 V CA -0.829 61.442 62.300 -0.048 0.000 0.998 602 V CB 2.182 33.998 31.823 -0.012 0.000 1.042 602 V HN 0.922 nan 8.190 nan 0.000 0.433 603 N N 0.822 119.501 118.700 -0.034 0.000 2.751 603 N HA 0.415 5.155 4.740 -0.000 0.000 0.234 603 N C -1.298 174.196 175.510 -0.027 0.000 1.403 603 N CA -0.172 52.882 53.050 0.006 0.000 0.747 603 N CB 0.527 38.991 38.487 -0.039 0.000 1.326 603 N HN 1.141 nan 8.380 nan 0.000 0.532 604 H N -0.068 118.912 119.070 -0.150 0.000 2.894 604 H HA 0.782 5.338 4.556 -0.000 0.000 0.368 604 H C -1.390 173.782 175.328 -0.260 0.000 1.181 604 H CA -0.667 55.226 56.048 -0.258 0.000 1.146 604 H CB 1.720 31.250 29.762 -0.386 0.000 1.839 604 H HN -0.026 nan 8.280 nan 0.000 0.557 605 V N 3.407 122.766 119.914 -0.925 0.000 2.525 605 V HA 0.265 4.385 4.120 -0.000 0.000 0.299 605 V C -0.987 174.653 176.094 -0.757 0.000 1.034 605 V CA -0.648 61.315 62.300 -0.562 0.000 0.863 605 V CB 1.219 32.828 31.823 -0.356 0.000 0.999 605 V HN 0.595 nan 8.190 nan 0.000 0.423 606 F N 3.776 123.615 119.950 -0.185 0.000 2.368 606 F HA 0.671 5.198 4.527 -0.000 0.000 0.362 606 F C 0.970 176.647 175.800 -0.205 0.000 1.137 606 F CA -0.182 57.744 58.000 -0.122 0.000 1.161 606 F CB 0.959 40.013 39.000 0.089 0.000 1.265 606 F HN 0.607 nan 8.300 nan 0.000 0.530 607 A N 4.155 126.759 122.820 -0.360 0.000 2.280 607 A HA 0.370 4.690 4.320 -0.000 0.000 0.268 607 A C 0.346 177.958 177.584 0.047 0.000 1.111 607 A CA -0.751 51.161 52.037 -0.207 0.000 0.814 607 A CB 0.388 19.219 19.000 -0.281 0.000 1.093 607 A HN 0.678 nan 8.150 nan 0.000 0.498 608 K N -0.477 119.980 120.400 0.096 0.000 2.448 608 K HA 0.363 4.683 4.320 -0.000 0.000 0.278 608 K C 1.062 177.799 176.600 0.227 0.000 1.009 608 K CA 1.053 57.423 56.287 0.139 0.000 0.995 608 K CB 0.274 32.827 32.500 0.089 0.000 0.917 608 K HN 1.326 nan 8.250 nan 0.000 0.481 609 G N 1.712 110.628 108.800 0.193 0.000 2.234 609 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.235 609 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.235 609 G C 0.097 175.086 174.900 0.148 0.000 0.997 609 G CA -0.311 44.881 45.100 0.153 0.000 0.623 609 G HN 0.746 nan 8.290 nan 0.000 0.514 610 H N 0.315 119.451 119.070 0.110 0.000 2.500 610 H HA 0.686 5.242 4.556 -0.000 0.000 0.351 610 H C 0.434 175.843 175.328 0.134 0.000 1.281 610 H CA -0.229 55.908 56.048 0.149 0.000 1.368 610 H CB 0.921 30.820 29.762 0.228 0.000 1.616 610 H HN 0.238 nan 8.280 nan 0.000 0.591 611 R N 0.465 121.125 120.500 0.266 0.000 2.795 611 R HA 0.449 4.789 4.340 -0.000 0.000 0.275 611 R C -0.716 175.650 176.300 0.110 0.000 0.981 611 R CA -0.808 55.376 56.100 0.141 0.000 0.917 611 R CB 2.028 32.377 30.300 0.082 0.000 1.202 611 R HN 0.404 nan 8.270 nan 0.000 0.469 612 I N 2.479 123.001 120.570 -0.080 0.000 2.385 612 I HA 0.412 4.582 4.170 -0.000 0.000 0.294 612 I C -0.058 175.997 176.117 -0.103 0.000 0.988 612 I CA -0.410 60.725 61.300 -0.275 0.000 1.265 612 I CB 1.576 39.226 38.000 -0.584 0.000 1.388 612 I HN 0.440 nan 8.210 nan 0.000 0.480 613 M N 6.404 125.985 119.600 -0.030 0.000 2.501 613 M HA 0.667 5.147 4.480 -0.000 0.000 0.293 613 M C -2.096 174.228 176.300 0.039 0.000 1.192 613 M CA -0.574 54.741 55.300 0.026 0.000 0.886 613 M CB 2.398 35.036 32.600 0.065 0.000 1.710 613 M HN 0.299 nan 8.290 nan 0.000 0.457 614 V N 3.370 123.327 119.914 0.073 0.000 2.638 614 V HA 0.499 4.619 4.120 -0.000 0.000 0.306 614 V C -1.050 175.133 176.094 0.148 0.000 1.052 614 V CA -0.529 61.822 62.300 0.085 0.000 0.885 614 V CB 2.106 33.950 31.823 0.036 0.000 0.999 614 V HN 0.885 nan 8.190 nan 0.000 0.424 615 Q N 4.031 123.894 119.800 0.105 0.000 2.353 615 Q HA 0.715 5.055 4.340 -0.000 0.000 0.268 615 Q C -1.414 174.621 176.000 0.059 0.000 1.045 615 Q CA -0.554 55.297 55.803 0.080 0.000 0.811 615 Q CB 3.148 31.909 28.738 0.038 0.000 1.305 615 Q HN 0.636 nan 8.270 nan 0.000 0.447 616 I N 2.336 122.937 120.570 0.052 0.000 2.608 616 I HA 0.409 4.579 4.170 -0.000 0.000 0.295 616 I C -0.419 175.635 176.117 -0.106 0.000 1.049 616 I CA -0.582 60.751 61.300 0.056 0.000 1.063 616 I CB 2.004 40.127 38.000 0.205 0.000 1.248 616 I HN 0.647 nan 8.210 nan 0.000 0.424 617 Q N 2.581 122.359 119.800 -0.037 0.000 2.737 617 Q HA 0.521 4.861 4.340 -0.000 0.000 0.307 617 Q C -1.319 174.735 176.000 0.090 0.000 0.905 617 Q CA -0.887 54.860 55.803 -0.093 0.000 0.753 617 Q CB 1.859 30.510 28.738 -0.145 0.000 1.463 617 Q HN 0.407 nan 8.270 nan 0.000 0.455 618 S N -0.042 115.723 115.700 0.108 0.000 2.701 618 S HA 0.273 4.743 4.470 -0.000 0.000 0.242 618 S C -0.547 174.041 174.600 -0.021 0.000 1.025 618 S CA 0.312 58.490 58.200 -0.037 0.000 1.016 618 S CB 0.604 63.722 63.200 -0.136 0.000 0.977 618 S HN 0.627 nan 8.310 nan 0.000 0.546 619 S N -0.089 115.650 115.700 0.065 0.000 2.579 619 S HA 0.771 5.241 4.470 -0.000 0.000 0.272 619 S C -2.013 172.786 174.600 0.332 0.000 1.141 619 S CA -0.656 57.649 58.200 0.176 0.000 0.843 619 S CB 1.783 65.084 63.200 0.167 0.000 1.122 619 S HN 0.248 nan 8.310 nan 0.000 0.468 620 W N 2.173 123.610 121.300 0.229 0.000 1.896 620 W HA 0.499 5.159 4.660 -0.000 0.000 0.302 620 W C -2.147 174.532 176.519 0.266 0.000 1.016 620 W CA -1.703 55.802 57.345 0.266 0.000 1.200 620 W CB 0.784 30.396 29.460 0.252 0.000 1.226 620 W HN 0.681 nan 8.180 nan 0.000 0.308 621 F N 5.353 125.471 119.950 0.280 0.000 2.458 621 F HA 0.633 5.160 4.527 -0.000 0.000 0.330 621 F C -1.224 174.689 175.800 0.188 0.000 1.082 621 F CA -2.594 55.463 58.000 0.094 0.000 0.995 621 F CB 1.794 40.800 39.000 0.009 0.000 1.170 621 F HN -0.069 nan 8.300 nan 0.000 0.478 622 P HA -0.003 nan 4.420 nan 0.000 0.257 622 P C 1.427 178.132 177.300 -0.991 0.000 1.281 622 P CA 0.317 62.529 63.100 -1.479 0.000 0.826 622 P CB 0.222 31.135 31.700 -1.312 0.000 1.237 623 L N -0.102 120.509 121.223 -1.020 0.000 1.990 623 L HA -0.067 4.273 4.340 -0.000 0.000 0.213 623 L C 0.346 176.597 176.870 -1.030 0.000 1.072 623 L CA 1.800 55.922 54.840 -1.198 0.000 0.755 623 L CB -1.269 39.581 42.059 -2.014 0.000 0.889 623 L HN -0.115 nan 8.230 nan 0.000 0.432 624 Y N 0.633 120.665 120.300 -0.447 0.000 2.341 624 Y HA 0.318 4.868 4.550 -0.000 0.000 0.337 624 Y C 0.081 175.975 175.900 -0.011 0.000 1.014 624 Y CA -1.897 56.085 58.100 -0.197 0.000 1.111 624 Y CB 0.496 38.953 38.460 -0.005 0.000 1.194 624 Y HN 0.231 nan 8.280 nan 0.000 0.462 625 D N 2.194 122.719 120.400 0.209 0.000 2.400 625 D HA 0.029 4.669 4.640 -0.000 0.000 0.238 625 D C -0.363 176.163 176.300 0.377 0.000 1.157 625 D CA -0.329 53.882 54.000 0.352 0.000 0.889 625 D CB 0.686 41.742 40.800 0.427 0.000 1.199 625 D HN 0.473 nan 8.370 nan 0.000 0.436 626 R N 1.152 121.895 120.500 0.405 0.000 2.491 626 R HA 0.146 4.486 4.340 -0.000 0.000 0.283 626 R C 0.539 176.987 176.300 0.247 0.000 1.072 626 R CA -0.601 55.669 56.100 0.284 0.000 1.048 626 R CB 0.304 30.709 30.300 0.174 0.000 0.983 626 R HN 0.457 nan 8.270 nan 0.000 0.450 627 N N 3.440 122.220 118.700 0.134 0.000 2.458 627 N HA 0.064 4.804 4.740 -0.000 0.000 0.270 627 N C -1.866 173.660 175.510 0.025 0.000 1.102 627 N CA -1.894 51.180 53.050 0.039 0.000 0.967 627 N CB 1.338 39.805 38.487 -0.032 0.000 1.078 627 N HN 0.270 nan 8.380 nan 0.000 0.471 628 P HA -0.072 nan 4.420 nan 0.000 0.225 628 P C -0.365 176.865 177.300 -0.116 0.000 1.148 628 P CA 0.944 63.861 63.100 -0.306 0.000 0.779 628 P CB 0.203 31.513 31.700 -0.651 0.000 0.780 629 Q N -2.660 117.092 119.800 -0.079 0.000 2.493 629 Q HA -0.204 4.136 4.340 -0.000 0.000 0.260 629 Q C 0.076 176.066 176.000 -0.018 0.000 0.905 629 Q CA 0.824 56.601 55.803 -0.043 0.000 1.140 629 Q CB -1.801 26.917 28.738 -0.032 0.000 1.435 629 Q HN 0.325 nan 8.270 nan 0.000 0.581 630 K N 0.279 120.657 120.400 -0.036 0.000 2.535 630 K HA 0.416 4.736 4.320 -0.000 0.000 0.250 630 K C -1.267 175.342 176.600 0.016 0.000 0.948 630 K CA -0.774 55.512 56.287 -0.000 0.000 0.796 630 K CB 0.993 33.468 32.500 -0.041 0.000 1.216 630 K HN 0.005 nan 8.250 nan 0.000 0.432 631 F N 5.588 125.507 119.950 -0.052 0.000 2.541 631 F HA 0.224 4.751 4.527 -0.000 0.000 0.378 631 F C -0.398 175.370 175.800 -0.053 0.000 1.068 631 F CA 0.169 58.137 58.000 -0.053 0.000 1.199 631 F CB 0.552 39.532 39.000 -0.034 0.000 1.091 631 F HN 0.220 nan 8.300 nan 0.000 0.555 632 V N 4.857 124.415 119.914 -0.593 0.000 2.823 632 V HA 0.509 4.629 4.120 -0.000 0.000 0.312 632 V C -2.213 173.496 176.094 -0.642 0.000 1.072 632 V CA -1.941 60.101 62.300 -0.431 0.000 0.937 632 V CB 1.506 33.174 31.823 -0.259 0.000 1.013 632 V HN 0.526 nan 8.190 nan 0.000 0.430 633 P HA -0.092 nan 4.420 nan 0.000 0.216 633 P C 0.179 177.334 177.300 -0.242 0.000 1.153 633 P CA 1.552 64.483 63.100 -0.282 0.000 0.858 633 P CB 0.108 31.741 31.700 -0.112 0.000 0.789 634 N N -1.326 117.259 118.700 -0.192 0.000 2.500 634 N HA 0.167 4.907 4.740 -0.000 0.000 0.291 634 N C 0.482 175.923 175.510 -0.116 0.000 1.092 634 N CA -0.405 52.566 53.050 -0.132 0.000 0.890 634 N CB 0.813 39.251 38.487 -0.083 0.000 1.466 634 N HN -0.214 nan 8.380 nan 0.000 0.507 635 I N 2.332 122.800 120.570 -0.169 0.000 2.567 635 I HA -0.178 3.992 4.170 -0.000 0.000 0.257 635 I C 1.341 177.462 176.117 0.006 0.000 1.184 635 I CA 0.958 62.181 61.300 -0.129 0.000 1.451 635 I CB -0.124 37.787 38.000 -0.149 0.000 1.089 635 I HN 0.485 nan 8.210 nan 0.000 0.441 636 F N 0.935 120.938 119.950 0.089 0.000 2.216 636 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 636 F C 1.550 177.480 175.800 0.217 0.000 1.085 636 F CA 0.815 58.924 58.000 0.182 0.000 1.326 636 F CB -0.084 39.003 39.000 0.145 0.000 1.027 636 F HN 0.110 nan 8.300 nan 0.000 0.497 637 D N 0.534 121.122 120.400 0.315 0.000 2.395 637 D HA 0.184 4.824 4.640 -0.000 0.000 0.226 637 D C 0.498 176.888 176.300 0.150 0.000 1.146 637 D CA 0.123 54.269 54.000 0.243 0.000 0.830 637 D CB -0.259 40.658 40.800 0.195 0.000 0.958 637 D HN 0.022 nan 8.370 nan 0.000 0.501 638 A N 0.890 123.791 122.820 0.134 0.000 2.511 638 A HA 0.144 4.464 4.320 -0.000 0.000 0.242 638 A C 0.659 178.341 177.584 0.163 0.000 1.069 638 A CA 0.197 52.261 52.037 0.044 0.000 0.763 638 A CB 0.519 19.464 19.000 -0.093 0.000 1.001 638 A HN -0.003 nan 8.150 nan 0.000 0.498 639 K N 2.633 123.098 120.400 0.109 0.000 2.106 639 K HA 0.371 4.691 4.320 -0.000 0.000 0.246 639 K C -1.939 174.820 176.600 0.265 0.000 0.987 639 K CA -1.837 54.548 56.287 0.164 0.000 0.904 639 K CB 0.850 33.405 32.500 0.092 0.000 1.071 639 K HN 0.296 nan 8.250 nan 0.000 0.453 640 P HA -0.235 nan 4.420 nan 0.000 0.216 640 P C 0.794 178.241 177.300 0.245 0.000 1.153 640 P CA 1.391 64.641 63.100 0.250 0.000 0.858 640 P CB 0.102 31.870 31.700 0.113 0.000 0.789 641 A N -0.330 122.576 122.820 0.143 0.000 2.070 641 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 641 A C 1.796 179.428 177.584 0.080 0.000 1.159 641 A CA 1.765 53.861 52.037 0.098 0.000 0.656 641 A CB -1.214 17.823 19.000 0.062 0.000 0.800 641 A HN 0.105 nan 8.150 nan 0.000 0.453 642 D N -1.168 119.260 120.400 0.047 0.000 2.219 642 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 642 D C -0.206 176.007 176.300 -0.144 0.000 0.970 642 D CA 0.636 54.584 54.000 -0.087 0.000 0.851 642 D CB -0.351 40.326 40.800 -0.206 0.000 0.943 642 D HN 0.568 nan 8.370 nan 0.000 0.488 643 Y N 1.223 121.529 120.300 0.011 0.000 2.650 643 Y HA 0.147 4.697 4.550 -0.000 0.000 0.342 643 Y C 0.764 176.665 175.900 0.003 0.000 1.110 643 Y CA 0.178 58.279 58.100 0.001 0.000 1.438 643 Y CB 0.233 38.687 38.460 -0.010 0.000 1.181 643 Y HN -0.327 nan 8.280 nan 0.000 0.526 644 T N 2.944 117.553 114.554 0.093 0.000 2.863 644 T HA 0.459 4.809 4.350 -0.000 0.000 0.285 644 T C -0.345 174.392 174.700 0.062 0.000 1.009 644 T CA -0.872 61.268 62.100 0.066 0.000 0.989 644 T CB 1.509 70.397 68.868 0.032 0.000 1.004 644 T HN 0.191 nan 8.240 nan 0.000 0.455 645 V N 2.127 122.077 119.914 0.060 0.000 2.614 645 V HA 0.638 4.758 4.120 -0.000 0.000 0.291 645 V C 0.422 176.538 176.094 0.036 0.000 1.049 645 V CA -0.272 62.061 62.300 0.055 0.000 1.038 645 V CB 0.660 32.520 31.823 0.062 0.000 0.980 645 V HN 1.141 nan 8.190 nan 0.000 0.481 646 A N 3.469 126.302 122.820 0.022 0.000 2.498 646 A HA 0.775 5.095 4.320 -0.000 0.000 0.298 646 A C -0.325 177.250 177.584 -0.015 0.000 1.075 646 A CA -0.587 51.452 52.037 0.005 0.000 0.714 646 A CB 1.836 20.831 19.000 -0.009 0.000 1.299 646 A HN 0.656 nan 8.150 nan 0.000 0.407 647 T N 2.873 117.418 114.554 -0.014 0.000 2.767 647 T HA 0.496 4.846 4.350 -0.000 0.000 0.288 647 T C -0.508 174.149 174.700 -0.070 0.000 0.963 647 T CA -0.296 61.781 62.100 -0.037 0.000 1.019 647 T CB 0.764 69.634 68.868 0.004 0.000 0.923 647 T HN 0.569 nan 8.240 nan 0.000 0.468 648 Q N 1.790 121.456 119.800 -0.224 0.000 2.266 648 Q HA 0.643 4.983 4.340 -0.000 0.000 0.261 648 Q C -0.772 175.153 176.000 -0.125 0.000 0.985 648 Q CA -0.678 55.002 55.803 -0.206 0.000 0.873 648 Q CB 2.128 30.468 28.738 -0.663 0.000 1.306 648 Q HN 0.563 nan 8.270 nan 0.000 0.447 649 S N 1.678 117.419 115.700 0.070 0.000 2.614 649 S HA 0.561 5.031 4.470 -0.000 0.000 0.288 649 S C -0.556 174.136 174.600 0.153 0.000 1.137 649 S CA -0.583 57.685 58.200 0.112 0.000 0.992 649 S CB 0.797 64.058 63.200 0.101 0.000 1.026 649 S HN 0.370 nan 8.310 nan 0.000 0.486 650 I N 2.813 123.508 120.570 0.209 0.000 2.339 650 I HA 0.337 4.507 4.170 -0.000 0.000 0.290 650 I C 0.178 176.404 176.117 0.182 0.000 0.994 650 I CA -0.367 61.053 61.300 0.200 0.000 1.191 650 I CB 0.682 38.847 38.000 0.275 0.000 1.343 650 I HN 0.648 nan 8.210 nan 0.000 0.458 651 H N 5.198 124.304 119.070 0.060 0.000 2.525 651 H HA 0.546 5.102 4.556 -0.000 0.000 0.339 651 H C -0.708 174.612 175.328 -0.013 0.000 1.109 651 H CA -0.079 55.947 56.048 -0.037 0.000 1.352 651 H CB 0.557 30.290 29.762 -0.049 0.000 1.461 651 H HN 0.752 nan 8.280 nan 0.000 0.533 652 H N 1.695 120.630 119.070 -0.226 0.000 2.768 652 H HA 0.603 5.159 4.556 -0.000 0.000 0.371 652 H C 0.196 175.421 175.328 -0.171 0.000 1.151 652 H CA -0.734 55.228 56.048 -0.144 0.000 1.165 652 H CB 1.212 30.874 29.762 -0.165 0.000 1.722 652 H HN 1.003 nan 8.280 nan 0.000 0.543 653 G N 0.145 108.939 108.800 -0.010 0.000 2.829 653 G HA2 0.303 4.263 3.960 -0.000 0.000 0.628 653 G HA3 0.303 4.263 3.960 -0.000 0.000 0.628 653 G C 0.520 175.424 174.900 0.007 0.000 1.412 653 G CA 0.449 45.514 45.100 -0.059 0.000 0.864 653 G HN 2.210 nan 8.290 nan 0.000 0.544 654 G N -0.305 108.548 108.800 0.089 0.000 2.547 654 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.271 654 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.271 654 G C 0.972 175.897 174.900 0.042 0.000 1.209 654 G CA 1.134 46.272 45.100 0.064 0.000 0.959 654 G HN 1.556 nan 8.290 nan 0.000 0.563 655 K N 1.045 121.374 120.400 -0.118 0.000 2.418 655 K HA 0.143 4.463 4.320 -0.000 0.000 0.195 655 K C 1.037 177.315 176.600 -0.537 0.000 1.035 655 K CA 1.084 57.238 56.287 -0.222 0.000 1.003 655 K CB 0.261 32.636 32.500 -0.208 0.000 0.793 655 K HN 0.535 nan 8.250 nan 0.000 0.494 656 E N 0.963 120.752 120.200 -0.686 0.000 3.105 656 E HA 0.187 4.537 4.350 -0.000 0.000 0.219 656 E C -1.109 175.048 176.600 -0.739 0.000 1.064 656 E CA -0.387 55.143 56.400 -1.450 0.000 1.342 656 E CB 1.163 30.164 29.700 -1.165 0.000 1.295 656 E HN 0.137 nan 8.360 nan 0.000 0.438 657 A N 1.474 124.043 122.820 -0.418 0.000 2.544 657 A HA 0.154 4.474 4.320 -0.000 0.000 0.301 657 A C 0.512 178.215 177.584 0.198 0.000 1.368 657 A CA -0.191 51.798 52.037 -0.080 0.000 1.045 657 A CB -0.225 18.579 19.000 -0.327 0.000 1.129 657 A HN 0.116 nan 8.150 nan 0.000 0.540 658 T N 2.516 117.231 114.554 0.268 0.000 2.946 658 T HA 0.396 4.746 4.350 -0.000 0.000 0.311 658 T C 0.708 175.447 174.700 0.065 0.000 1.063 658 T CA 1.060 63.304 62.100 0.241 0.000 1.139 658 T CB 0.180 69.113 68.868 0.109 0.000 0.994 658 T HN 1.246 nan 8.240 nan 0.000 0.547 659 S N 1.847 117.523 115.700 -0.040 0.000 2.611 659 S HA 0.639 5.109 4.470 -0.000 0.000 0.268 659 S C -1.600 172.866 174.600 -0.223 0.000 1.156 659 S CA -1.111 56.967 58.200 -0.203 0.000 0.817 659 S CB 1.172 64.121 63.200 -0.418 0.000 1.122 659 S HN 0.427 nan 8.310 nan 0.000 0.466 660 I N 1.908 122.326 120.570 -0.254 0.000 2.362 660 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 660 I C -0.599 175.393 176.117 -0.209 0.000 0.994 660 I CA -0.730 60.438 61.300 -0.220 0.000 1.158 660 I CB 1.279 39.175 38.000 -0.172 0.000 1.315 660 I HN 0.661 nan 8.210 nan 0.000 0.451 661 L N 7.004 128.117 121.223 -0.184 0.000 2.363 661 L HA 0.334 4.674 4.340 -0.000 0.000 0.286 661 L C -0.006 176.813 176.870 -0.084 0.000 1.106 661 L CA -0.236 54.526 54.840 -0.130 0.000 0.859 661 L CB 0.140 42.136 42.059 -0.105 0.000 1.223 661 L HN 0.337 nan 8.230 nan 0.000 0.446 662 L N 6.316 127.515 121.223 -0.039 0.000 2.326 662 L HA 0.342 4.682 4.340 -0.000 0.000 0.278 662 L C -1.755 175.124 176.870 0.014 0.000 1.092 662 L CA -1.697 53.153 54.840 0.017 0.000 0.810 662 L CB 1.320 43.433 42.059 0.091 0.000 1.153 662 L HN 0.361 nan 8.230 nan 0.000 0.439 663 P HA 0.085 nan 4.420 nan 0.000 0.225 663 P C -0.291 177.007 177.300 -0.003 0.000 1.813 663 P CA -0.161 62.920 63.100 -0.032 0.000 1.013 663 P CB 0.072 31.729 31.700 -0.073 0.000 1.961 664 V N 3.062 122.982 119.914 0.010 0.000 2.585 664 V HA 0.098 4.218 4.120 -0.000 0.000 0.296 664 V C 1.129 177.208 176.094 -0.025 0.000 1.035 664 V CA 0.194 62.498 62.300 0.007 0.000 1.084 664 V CB 0.999 32.804 31.823 -0.030 0.000 0.953 664 V HN 0.310 nan 8.190 nan 0.000 0.483 665 V N 2.630 122.537 119.914 -0.011 0.000 3.074 665 V HA 0.709 4.829 4.120 -0.000 0.000 0.314 665 V C -0.406 175.683 176.094 -0.009 0.000 1.117 665 V CA -1.228 61.061 62.300 -0.018 0.000 1.014 665 V CB 1.960 33.776 31.823 -0.012 0.000 1.057 665 V HN 0.730 nan 8.190 nan 0.000 0.438 666 K N 0.000 120.396 120.400 -0.007 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.284 56.287 -0.004 0.000 0.838 666 K CB 0.000 32.494 32.500 -0.010 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543