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 2gso_1_B DATA FIRST_RESID 44 DATA SEQUENCE TPHALLLISI DGLRADMLDR GITPNLSHLA REGVRARWMA PSYPSLTFPN DATA SEQUENCE HYTLVTGLRP DHHGIVHNSM RDPTLGGFWL SKSEAVGDAR WWGGEPVWVG DATA SEQUENCE VENTGQHAAT WSWPGSEAAI KGVRPSQWRH YQKGVRLDTR VDAVRGWLAT DATA SEQUENCE DGAQRNRLVT LYFEHVDEAG HDHGPESRQY ADAVRAVDAA IGRLLAGMQR DATA SEQUENCE DGTRARTNII VVSDHGMAEV APGHAISVED IAPPQIATAI TDGQVIGFEP DATA SEQUENCE LPGQQAAAEA SVLGAHDHYD cWRKAELPAR WQYGSHPRIP SLVcQMHEGW DATA SEQUENCE DALFPDKLAK RAQRGTRGSH GYDPALPSMR AVFLAQGPDL AQGKTLPGFD DATA SEQUENCE NVDVYALMSR LLGIPAAPND GNPATLLPAL RM 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 44 T HA 0.000 nan 4.350 nan 0.000 0.228 44 T C 0.000 174.667 174.700 -0.055 0.000 1.109 44 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 44 T CB 0.000 68.878 68.868 0.016 0.000 0.612 45 P HA 0.340 nan 4.420 nan 0.000 0.272 45 P C -0.415 176.855 177.300 -0.051 0.000 1.223 45 P CA -0.382 62.641 63.100 -0.128 0.000 0.784 45 P CB 0.249 31.901 31.700 -0.079 0.000 0.923 46 H N -0.134 118.939 119.070 0.005 0.000 2.886 46 H HA 0.343 4.899 4.556 -0.000 0.000 0.329 46 H C 0.622 175.958 175.328 0.013 0.000 1.044 46 H CA -0.704 55.350 56.048 0.010 0.000 1.456 46 H CB 0.506 30.272 29.762 0.007 0.000 1.464 46 H HN 0.513 nan 8.280 nan 0.000 0.573 47 A N 3.206 126.120 122.820 0.156 0.000 2.346 47 A HA 0.306 4.626 4.320 -0.000 0.000 0.252 47 A C -0.490 177.144 177.584 0.084 0.000 1.089 47 A CA -0.415 51.681 52.037 0.099 0.000 0.797 47 A CB 0.376 19.431 19.000 0.093 0.000 1.047 47 A HN 0.537 nan 8.150 nan 0.000 0.494 48 L N 1.345 122.608 121.223 0.067 0.000 2.325 48 L HA 0.622 4.962 4.340 -0.000 0.000 0.281 48 L C -0.989 175.922 176.870 0.068 0.000 1.004 48 L CA -0.583 54.290 54.840 0.056 0.000 0.823 48 L CB 1.541 43.622 42.059 0.037 0.000 1.236 48 L HN 0.624 nan 8.230 nan 0.000 0.415 49 L N 6.038 127.305 121.223 0.073 0.000 2.265 49 L HA 0.578 4.918 4.340 -0.000 0.000 0.289 49 L C -1.345 175.587 176.870 0.104 0.000 1.033 49 L CA -0.222 54.678 54.840 0.100 0.000 0.814 49 L CB 1.266 43.384 42.059 0.098 0.000 1.203 49 L HN 0.704 nan 8.230 nan 0.000 0.423 50 L N 6.944 128.244 121.223 0.128 0.000 2.305 50 L HA 0.629 4.969 4.340 -0.000 0.000 0.284 50 L C -1.009 176.040 176.870 0.300 0.000 1.013 50 L CA -0.011 54.921 54.840 0.153 0.000 0.819 50 L CB 1.024 43.098 42.059 0.024 0.000 1.227 50 L HN 0.572 nan 8.230 nan 0.000 0.417 51 I N 3.821 124.588 120.570 0.327 0.000 2.406 51 I HA 0.393 4.563 4.170 -0.000 0.000 0.290 51 I C -0.165 176.223 176.117 0.452 0.000 0.999 51 I CA -0.467 61.072 61.300 0.399 0.000 1.124 51 I CB 1.953 40.134 38.000 0.301 0.000 1.289 51 I HN 0.609 nan 8.210 nan 0.000 0.441 52 S N 7.072 123.080 115.700 0.515 0.000 2.451 52 S HA 0.646 5.116 4.470 -0.000 0.000 0.301 52 S C -0.584 174.157 174.600 0.235 0.000 1.116 52 S CA -0.545 57.862 58.200 0.345 0.000 1.093 52 S CB 0.629 63.985 63.200 0.260 0.000 1.017 52 S HN 0.458 nan 8.310 nan 0.000 0.482 53 I N 4.228 124.872 120.570 0.124 0.000 2.371 53 I HA 0.233 4.403 4.170 -0.000 0.000 0.282 53 I C 0.096 176.183 176.117 -0.049 0.000 1.031 53 I CA -0.687 60.632 61.300 0.033 0.000 1.180 53 I CB 1.025 39.007 38.000 -0.029 0.000 1.336 53 I HN 0.575 nan 8.210 nan 0.000 0.467 54 D N 5.388 125.735 120.400 -0.088 0.000 2.493 54 D HA 0.027 4.667 4.640 -0.000 0.000 0.240 54 D C 1.257 177.486 176.300 -0.118 0.000 1.142 54 D CA 1.534 55.506 54.000 -0.047 0.000 0.872 54 D CB 1.081 41.927 40.800 0.076 0.000 1.173 54 D HN 0.901 nan 8.370 nan 0.000 0.467 55 G N 3.093 111.684 108.800 -0.349 0.000 2.155 55 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.257 55 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.257 55 G C 0.358 175.266 174.900 0.013 0.000 0.983 55 G CA 0.367 45.355 45.100 -0.186 0.000 0.676 55 G HN 0.538 nan 8.290 nan 0.000 0.528 56 L N 1.264 122.460 121.223 -0.044 0.000 2.385 56 L HA 0.582 4.921 4.340 -0.000 0.000 0.281 56 L C 0.997 177.918 176.870 0.085 0.000 1.106 56 L CA -0.591 54.275 54.840 0.042 0.000 0.856 56 L CB 0.407 42.452 42.059 -0.022 0.000 1.186 56 L HN 0.322 nan 8.230 nan 0.000 0.453 57 R N 3.588 124.194 120.500 0.176 0.000 2.539 57 R HA 0.341 4.681 4.340 -0.000 0.000 0.275 57 R C 1.277 177.643 176.300 0.111 0.000 1.077 57 R CA 0.509 56.682 56.100 0.121 0.000 1.097 57 R CB 1.182 31.542 30.300 0.100 0.000 1.018 57 R HN 0.880 nan 8.270 nan 0.000 0.483 58 A N 2.939 125.823 122.820 0.107 0.000 1.948 58 A HA -0.227 4.092 4.320 -0.000 0.000 0.220 58 A C 1.357 179.020 177.584 0.132 0.000 1.177 58 A CA 1.982 54.105 52.037 0.144 0.000 0.636 58 A CB -0.504 18.622 19.000 0.211 0.000 0.815 58 A HN 0.946 nan 8.150 nan 0.000 0.449 59 D N -1.044 119.419 120.400 0.105 0.000 2.363 59 D HA -0.074 4.566 4.640 -0.000 0.000 0.220 59 D C 1.393 177.744 176.300 0.086 0.000 0.994 59 D CA 0.426 54.481 54.000 0.091 0.000 0.890 59 D CB -0.408 40.431 40.800 0.065 0.000 0.906 59 D HN 0.343 nan 8.370 nan 0.000 0.530 60 M N 0.098 119.757 119.600 0.100 0.000 2.619 60 M HA 0.116 4.595 4.480 -0.000 0.000 0.251 60 M C 1.726 178.067 176.300 0.067 0.000 1.106 60 M CA 0.357 55.719 55.300 0.103 0.000 1.086 60 M CB -0.285 32.408 32.600 0.156 0.000 1.465 60 M HN 0.126 nan 8.290 nan 0.000 0.506 61 L N -0.396 120.865 121.223 0.064 0.000 2.478 61 L HA -0.082 4.257 4.340 -0.000 0.000 0.223 61 L C 0.455 177.353 176.870 0.045 0.000 1.140 61 L CA 0.538 55.406 54.840 0.047 0.000 0.842 61 L CB -0.196 41.895 42.059 0.053 0.000 0.953 61 L HN 0.172 nan 8.230 nan 0.000 0.452 62 D N 0.162 120.594 120.400 0.053 0.000 2.593 62 D HA 0.094 4.734 4.640 -0.000 0.000 0.241 62 D C 0.859 177.184 176.300 0.042 0.000 1.257 62 D CA 0.069 54.098 54.000 0.048 0.000 0.828 62 D CB 0.479 41.314 40.800 0.058 0.000 1.049 62 D HN 0.410 nan 8.370 nan 0.000 0.490 63 R N -0.860 119.663 120.500 0.039 0.000 2.642 63 R HA 0.412 4.752 4.340 -0.000 0.000 0.435 63 R C 0.854 177.169 176.300 0.024 0.000 1.046 63 R CA -0.237 55.883 56.100 0.033 0.000 1.103 63 R CB -0.177 30.147 30.300 0.039 0.000 1.425 63 R HN -0.092 nan 8.270 nan 0.000 0.586 64 G N 2.084 110.896 108.800 0.019 0.000 2.160 64 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.251 64 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.251 64 G C 0.484 175.386 174.900 0.002 0.000 1.008 64 G CA 0.627 45.733 45.100 0.011 0.000 0.724 64 G HN 0.651 nan 8.290 nan 0.000 0.514 65 I N -2.577 117.994 120.570 0.002 0.000 4.081 65 I HA 0.434 4.604 4.170 -0.000 0.000 0.333 65 I C 0.806 176.905 176.117 -0.031 0.000 1.413 65 I CA 0.417 61.710 61.300 -0.013 0.000 1.110 65 I CB 0.673 38.670 38.000 -0.004 0.000 1.082 65 I HN 0.168 nan 8.210 nan 0.000 0.402 66 T N -1.896 112.645 114.554 -0.022 0.000 3.630 66 T HA 0.410 4.760 4.350 -0.000 0.000 0.238 66 T C -1.834 172.856 174.700 -0.018 0.000 1.195 66 T CA -1.274 60.806 62.100 -0.033 0.000 1.433 66 T CB 0.393 69.245 68.868 -0.027 0.000 0.940 66 T HN -0.004 nan 8.240 nan 0.000 0.641 67 P HA -0.110 nan 4.420 nan 0.000 0.216 67 P C 1.232 178.539 177.300 0.012 0.000 1.150 67 P CA 1.059 64.156 63.100 -0.005 0.000 0.837 67 P CB 0.212 31.897 31.700 -0.024 0.000 0.786 68 N N 0.013 118.706 118.700 -0.012 0.000 2.106 68 N HA -0.039 4.701 4.740 -0.000 0.000 0.188 68 N C 2.051 177.579 175.510 0.030 0.000 1.029 68 N CA 1.017 54.070 53.050 0.004 0.000 0.848 68 N CB -0.596 37.871 38.487 -0.033 0.000 1.007 68 N HN 0.216 nan 8.380 nan 0.000 0.423 69 L N 0.811 122.032 121.223 -0.004 0.000 2.141 69 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 69 L C 2.357 179.231 176.870 0.007 0.000 1.094 69 L CA 0.653 55.488 54.840 -0.008 0.000 0.763 69 L CB -0.294 41.747 42.059 -0.029 0.000 0.908 69 L HN 0.052 nan 8.230 nan 0.000 0.437 70 S N -1.276 114.437 115.700 0.023 0.000 2.382 70 S HA -0.238 4.232 4.470 -0.000 0.000 0.228 70 S C 1.916 176.543 174.600 0.044 0.000 1.027 70 S CA 1.325 59.543 58.200 0.030 0.000 0.991 70 S CB -0.323 62.897 63.200 0.034 0.000 0.823 70 S HN 0.523 nan 8.310 nan 0.000 0.469 71 H N 0.919 119.977 119.070 -0.020 0.000 2.357 71 H HA 0.076 4.632 4.556 -0.000 0.000 0.301 71 H C 1.993 177.308 175.328 -0.022 0.000 1.082 71 H CA 1.272 57.308 56.048 -0.019 0.000 1.342 71 H CB -0.434 29.315 29.762 -0.022 0.000 1.389 71 H HN 0.206 nan 8.280 nan 0.000 0.511 72 L N 0.464 121.673 121.223 -0.023 0.000 2.012 72 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 72 L C 2.491 179.294 176.870 -0.112 0.000 1.073 72 L CA 2.010 56.804 54.840 -0.077 0.000 0.748 72 L CB -1.208 40.837 42.059 -0.023 0.000 0.891 72 L HN 0.421 nan 8.230 nan 0.000 0.431 73 A N -0.680 122.094 122.820 -0.078 0.000 1.902 73 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 73 A C 2.414 179.950 177.584 -0.081 0.000 1.181 73 A CA 1.814 53.811 52.037 -0.067 0.000 0.623 73 A CB -0.559 18.422 19.000 -0.032 0.000 0.818 73 A HN 0.492 nan 8.150 nan 0.000 0.443 74 R N -0.416 120.020 120.500 -0.106 0.000 2.120 74 R HA -0.114 4.225 4.340 -0.000 0.000 0.234 74 R C 1.911 178.118 176.300 -0.155 0.000 1.123 74 R CA 1.479 57.509 56.100 -0.115 0.000 0.975 74 R CB -0.275 29.957 30.300 -0.114 0.000 0.866 74 R HN 0.674 nan 8.270 nan 0.000 0.446 75 E N -0.524 119.532 120.200 -0.239 0.000 2.274 75 E HA -0.041 4.309 4.350 -0.000 0.000 0.194 75 E C 1.126 177.656 176.600 -0.116 0.000 0.996 75 E CA 0.757 57.036 56.400 -0.201 0.000 0.840 75 E CB 0.288 29.838 29.700 -0.250 0.000 0.772 75 E HN 0.387 nan 8.360 nan 0.000 0.491 76 G N 0.154 108.894 108.800 -0.099 0.000 3.377 76 G HA2 0.427 4.387 3.960 -0.000 0.000 0.182 76 G HA3 0.427 4.387 3.960 -0.000 0.000 0.182 76 G C -1.119 173.753 174.900 -0.046 0.000 1.166 76 G CA -0.203 44.855 45.100 -0.069 0.000 0.771 76 G HN 0.058 nan 8.290 nan 0.000 0.701 77 V N 0.779 120.671 119.914 -0.038 0.000 2.760 77 V HA 0.813 4.933 4.120 -0.000 0.000 0.309 77 V C -1.104 175.000 176.094 0.016 0.000 1.077 77 V CA -0.808 61.495 62.300 0.005 0.000 0.910 77 V CB 1.765 33.613 31.823 0.041 0.000 1.008 77 V HN 1.030 nan 8.190 nan 0.000 0.424 78 R N 5.670 126.206 120.500 0.061 0.000 2.628 78 R HA 0.922 5.262 4.340 -0.000 0.000 0.288 78 R C -0.748 175.657 176.300 0.175 0.000 0.980 78 R CA -0.237 55.925 56.100 0.104 0.000 0.891 78 R CB 2.067 32.400 30.300 0.053 0.000 1.188 78 R HN 0.935 nan 8.270 nan 0.000 0.450 79 A N 2.792 125.800 122.820 0.314 0.000 2.302 79 A HA 0.342 4.662 4.320 -0.000 0.000 0.285 79 A C 0.688 178.334 177.584 0.105 0.000 1.105 79 A CA -0.782 51.395 52.037 0.233 0.000 0.816 79 A CB 0.711 19.983 19.000 0.452 0.000 1.067 79 A HN 1.005 nan 8.150 nan 0.000 0.489 80 R N 0.353 120.821 120.500 -0.055 0.000 2.103 80 R HA -0.099 4.241 4.340 -0.000 0.000 0.242 80 R C 0.123 176.492 176.300 0.116 0.000 1.142 80 R CA 2.104 58.179 56.100 -0.041 0.000 0.960 80 R CB -0.149 30.025 30.300 -0.210 0.000 0.858 80 R HN 0.868 nan 8.270 nan 0.000 0.439 81 W N -2.761 118.608 121.300 0.116 0.000 2.982 81 W HA 0.412 5.071 4.660 -0.001 0.000 0.344 81 W C -1.738 174.758 176.519 -0.038 0.000 1.215 81 W CA -1.070 56.310 57.345 0.059 0.000 1.182 81 W CB 0.466 29.945 29.460 0.033 0.000 1.437 81 W HN -0.226 nan 8.180 nan 0.000 0.570 82 M N 2.661 122.420 119.600 0.265 0.000 2.263 82 M HA 0.636 5.116 4.480 -0.000 0.000 0.295 82 M C -0.820 175.543 176.300 0.106 0.000 1.028 82 M CA -0.245 54.963 55.300 -0.154 0.000 0.921 82 M CB 1.904 34.285 32.600 -0.364 0.000 1.601 82 M HN 0.567 nan 8.290 nan 0.000 0.440 83 A N 6.980 129.877 122.820 0.129 0.000 2.363 83 A HA 0.747 5.067 4.320 -0.000 0.000 0.270 83 A C -2.667 174.944 177.584 0.044 0.000 1.121 83 A CA -1.319 50.794 52.037 0.125 0.000 0.800 83 A CB -0.218 18.893 19.000 0.187 0.000 1.052 83 A HN 0.563 nan 8.150 nan 0.000 0.493 84 P HA 0.209 nan 4.420 nan 0.000 0.274 84 P C -0.170 177.162 177.300 0.054 0.000 1.256 84 P CA -0.197 62.932 63.100 0.049 0.000 0.795 84 P CB 0.784 32.516 31.700 0.054 0.000 1.038 85 S N -0.314 115.420 115.700 0.056 0.000 2.652 85 S HA 0.243 4.713 4.470 -0.000 0.000 0.270 85 S C -0.396 174.197 174.600 -0.012 0.000 1.243 85 S CA -0.210 58.027 58.200 0.062 0.000 0.999 85 S CB 0.021 63.270 63.200 0.081 0.000 0.973 85 S HN 0.377 nan 8.310 nan 0.000 0.544 86 Y N 4.150 124.363 120.300 -0.145 0.000 2.335 86 Y HA 0.314 4.864 4.550 -0.000 0.000 0.331 86 Y C -2.178 173.459 175.900 -0.439 0.000 1.094 86 Y CA -1.748 56.128 58.100 -0.374 0.000 1.253 86 Y CB 0.651 38.830 38.460 -0.468 0.000 1.203 86 Y HN 0.354 nan 8.280 nan 0.000 0.508 87 P HA 0.098 nan 4.420 nan 0.000 0.281 87 P C -0.896 176.030 177.300 -0.624 0.000 1.249 87 P CA -0.555 61.783 63.100 -1.271 0.000 0.810 87 P CB 1.261 32.285 31.700 -1.126 0.000 1.008 88 S N 2.148 117.506 115.700 -0.571 0.000 4.069 88 S HA 0.301 4.770 4.470 -0.000 0.000 0.192 88 S C 0.274 174.765 174.600 -0.182 0.000 1.441 88 S CA -0.415 57.636 58.200 -0.249 0.000 0.994 88 S CB -1.350 61.747 63.200 -0.171 0.000 1.456 88 S HN 0.288 nan 8.310 nan 0.000 0.458 89 L N 0.226 121.366 121.223 -0.138 0.000 2.279 89 L HA 0.468 4.808 4.340 -0.000 0.000 0.262 89 L C 1.469 178.471 176.870 0.220 0.000 1.019 89 L CA -1.052 53.765 54.840 -0.037 0.000 0.823 89 L CB 1.211 43.129 42.059 -0.235 0.000 1.358 89 L HN 0.183 nan 8.230 nan 0.000 0.432 90 T N -0.107 114.665 114.554 0.362 0.000 2.643 90 T HA -0.115 4.234 4.350 -0.000 0.000 0.264 90 T C 1.500 176.543 174.700 0.571 0.000 1.045 90 T CA 1.704 64.128 62.100 0.540 0.000 1.155 90 T CB -0.198 68.984 68.868 0.524 0.000 0.863 90 T HN 0.314 nan 8.240 nan 0.000 0.420 91 F N 1.455 121.529 119.950 0.206 0.000 2.113 91 F HA 0.089 4.616 4.527 -0.000 0.000 0.297 91 F C -0.667 175.296 175.800 0.271 0.000 1.103 91 F CA 0.279 58.411 58.000 0.221 0.000 1.248 91 F CB -1.776 37.334 39.000 0.183 0.000 0.999 91 F HN 0.170 nan 8.300 nan 0.000 0.475 92 P HA -0.165 nan 4.420 nan 0.000 0.216 92 P C 1.331 178.871 177.300 0.400 0.000 1.153 92 P CA 1.696 65.024 63.100 0.381 0.000 0.858 92 P CB -0.012 31.803 31.700 0.193 0.000 0.789 93 N N -1.886 116.993 118.700 0.299 0.000 2.250 93 N HA -0.097 4.643 4.740 -0.000 0.000 0.181 93 N C 1.711 177.361 175.510 0.234 0.000 1.017 93 N CA 0.917 54.107 53.050 0.234 0.000 0.866 93 N CB -0.612 37.963 38.487 0.146 0.000 0.985 93 N HN 0.295 nan 8.380 nan 0.000 0.429 94 H N -0.716 118.482 119.070 0.214 0.000 2.387 94 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 94 H C 1.533 177.176 175.328 0.526 0.000 1.090 94 H CA 1.523 57.707 56.048 0.226 0.000 1.332 94 H CB -0.100 29.522 29.762 -0.234 0.000 1.386 94 H HN 0.227 nan 8.280 nan 0.000 0.516 95 Y N 0.751 121.261 120.300 0.351 0.000 2.314 95 Y HA -0.162 4.387 4.550 -0.000 0.000 0.293 95 Y C 2.399 178.363 175.900 0.108 0.000 1.129 95 Y CA 1.334 59.554 58.100 0.200 0.000 1.201 95 Y CB -0.363 38.091 38.460 -0.011 0.000 0.999 95 Y HN 0.098 nan 8.280 nan 0.000 0.541 96 T N 0.958 115.664 114.554 0.253 0.000 2.684 96 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 96 T C 2.101 176.896 174.700 0.158 0.000 1.036 96 T CA 1.815 64.069 62.100 0.255 0.000 1.148 96 T CB -0.587 68.470 68.868 0.315 0.000 0.863 96 T HN 0.273 nan 8.240 nan 0.000 0.436 97 L N 1.191 122.563 121.223 0.248 0.000 2.043 97 L HA -0.112 4.227 4.340 -0.000 0.000 0.212 97 L C 2.521 179.514 176.870 0.206 0.000 1.075 97 L CA 1.227 56.233 54.840 0.277 0.000 0.752 97 L CB -0.601 41.715 42.059 0.427 0.000 0.891 97 L HN 0.283 nan 8.230 nan 0.000 0.432 98 V N -5.221 114.767 119.914 0.122 0.000 3.649 98 V HA 0.049 4.168 4.120 -0.000 0.000 0.275 98 V C 1.779 177.778 176.094 -0.157 0.000 1.281 98 V CA 1.052 63.322 62.300 -0.051 0.000 1.143 98 V CB -0.454 31.223 31.823 -0.242 0.000 0.892 98 V HN 0.547 nan 8.190 nan 0.000 0.441 99 T N -4.405 109.953 114.554 -0.327 0.000 2.955 99 T HA 0.425 4.775 4.350 -0.000 0.000 0.251 99 T C 1.743 175.922 174.700 -0.868 0.000 1.002 99 T CA 0.908 62.622 62.100 -0.642 0.000 0.970 99 T CB 0.521 69.011 68.868 -0.630 0.000 1.091 99 T HN 1.431 nan 8.240 nan 0.000 0.495 100 G N 1.607 110.192 108.800 -0.358 0.000 2.162 100 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.260 100 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.260 100 G C -0.124 174.730 174.900 -0.077 0.000 0.976 100 G CA 0.432 45.429 45.100 -0.172 0.000 0.655 100 G HN 0.649 nan 8.290 nan 0.000 0.533 101 L N 0.585 121.792 121.223 -0.027 0.000 2.325 101 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 101 L C 0.954 177.898 176.870 0.125 0.000 1.023 101 L CA -1.415 53.482 54.840 0.095 0.000 0.811 101 L CB 1.128 43.270 42.059 0.139 0.000 1.249 101 L HN -0.029 nan 8.230 nan 0.000 0.431 102 R N 2.331 122.861 120.500 0.050 0.000 2.694 102 R HA 0.084 4.424 4.340 -0.000 0.000 0.268 102 R C -1.662 174.423 176.300 -0.359 0.000 1.061 102 R CA -1.663 54.389 56.100 -0.080 0.000 1.133 102 R CB 0.146 30.360 30.300 -0.143 0.000 1.020 102 R HN 0.321 nan 8.270 nan 0.000 0.475 103 P HA -0.169 nan 4.420 nan 0.000 0.216 103 P C 0.708 177.807 177.300 -0.335 0.000 1.150 103 P CA 1.249 63.970 63.100 -0.633 0.000 0.843 103 P CB 0.179 31.855 31.700 -0.040 0.000 0.787 104 D N -2.042 118.277 120.400 -0.135 0.000 2.265 104 D HA -0.176 4.464 4.640 -0.000 0.000 0.208 104 D C 1.536 177.842 176.300 0.010 0.000 0.977 104 D CA 1.298 55.224 54.000 -0.123 0.000 0.871 104 D CB -0.281 40.400 40.800 -0.198 0.000 0.925 104 D HN 0.391 nan 8.370 nan 0.000 0.485 105 H N -2.647 116.415 119.070 -0.013 0.000 2.506 105 H HA 0.105 4.661 4.556 -0.000 0.000 0.289 105 H C 1.746 177.149 175.328 0.125 0.000 1.009 105 H CA 0.679 56.767 56.048 0.066 0.000 1.303 105 H CB 0.124 29.905 29.762 0.032 0.000 1.453 105 H HN 0.392 nan 8.280 nan 0.000 0.526 106 H N -1.028 118.190 119.070 0.247 0.000 2.535 106 H HA 0.182 4.738 4.556 -0.000 0.000 0.273 106 H C 1.436 176.868 175.328 0.174 0.000 0.983 106 H CA 0.585 56.781 56.048 0.246 0.000 1.238 106 H CB 0.482 30.422 29.762 0.297 0.000 1.412 106 H HN 0.492 nan 8.280 nan 0.000 0.562 107 G N 1.766 110.633 108.800 0.111 0.000 2.195 107 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.246 107 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.246 107 G C 0.234 175.020 174.900 -0.190 0.000 0.984 107 G CA 0.167 45.084 45.100 -0.304 0.000 0.633 107 G HN 0.329 nan 8.290 nan 0.000 0.525 108 I N 3.253 123.909 120.570 0.143 0.000 2.213 108 I HA 0.210 4.380 4.170 -0.000 0.000 0.295 108 I C 1.973 178.136 176.117 0.077 0.000 1.172 108 I CA 0.184 61.437 61.300 -0.079 0.000 1.443 108 I CB 0.038 37.941 38.000 -0.162 0.000 1.491 108 I HN 0.308 nan 8.210 nan 0.000 0.652 109 V N 1.504 121.404 119.914 -0.023 0.000 3.541 109 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 109 V C 0.752 176.998 176.094 0.252 0.000 1.213 109 V CA 0.915 63.301 62.300 0.142 0.000 1.149 109 V CB -0.525 31.332 31.823 0.056 0.000 0.822 109 V HN 0.707 nan 8.190 nan 0.000 0.462 110 H N -0.584 118.497 119.070 0.018 0.000 2.932 110 H HA 0.347 4.903 4.556 -0.000 0.000 0.307 110 H C 0.102 175.424 175.328 -0.011 0.000 1.391 110 H CA -0.217 55.834 56.048 0.005 0.000 1.130 110 H CB 1.606 31.377 29.762 0.016 0.000 1.836 110 H HN -0.059 nan 8.280 nan 0.000 0.522 111 N N -0.007 118.813 118.700 0.199 0.000 2.309 111 N HA -0.090 4.650 4.740 -0.000 0.000 0.182 111 N C 0.175 175.833 175.510 0.246 0.000 1.018 111 N CA 0.818 53.967 53.050 0.165 0.000 0.876 111 N CB 0.245 38.768 38.487 0.060 0.000 0.972 111 N HN 0.250 nan 8.380 nan 0.000 0.434 112 S N -0.025 115.867 115.700 0.319 0.000 2.519 112 S HA 0.672 5.141 4.470 -0.000 0.000 0.309 112 S C -0.735 173.903 174.600 0.065 0.000 1.100 112 S CA -0.622 57.688 58.200 0.184 0.000 1.059 112 S CB 0.633 63.885 63.200 0.087 0.000 1.008 112 S HN -0.024 nan 8.310 nan 0.000 0.478 113 M N 3.481 123.144 119.600 0.105 0.000 2.618 113 M HA 0.591 5.071 4.480 -0.000 0.000 0.281 113 M C -0.838 175.585 176.300 0.204 0.000 1.267 113 M CA -0.764 54.586 55.300 0.083 0.000 0.845 113 M CB 2.644 35.237 32.600 -0.011 0.000 1.732 113 M HN 0.474 nan 8.290 nan 0.000 0.461 114 R N 0.558 121.202 120.500 0.240 0.000 2.686 114 R HA 0.553 4.893 4.340 -0.000 0.000 0.283 114 R C -1.665 174.809 176.300 0.291 0.000 0.978 114 R CA -0.852 55.420 56.100 0.286 0.000 0.897 114 R CB 2.222 32.628 30.300 0.177 0.000 1.192 114 R HN 0.610 nan 8.270 nan 0.000 0.457 115 D N 2.748 123.310 120.400 0.271 0.000 2.964 115 D HA 0.234 4.874 4.640 -0.000 0.000 0.234 115 D C -2.098 174.226 176.300 0.039 0.000 1.223 115 D CA -1.978 52.074 54.000 0.086 0.000 0.889 115 D CB 2.716 43.414 40.800 -0.171 0.000 1.609 115 D HN 0.103 nan 8.370 nan 0.000 0.523 116 P HA -0.026 nan 4.420 nan 0.000 0.220 116 P C 1.017 178.309 177.300 -0.014 0.000 1.148 116 P CA 1.056 64.162 63.100 0.011 0.000 0.803 116 P CB 0.490 32.192 31.700 0.004 0.000 0.782 117 T N -1.043 113.474 114.554 -0.061 0.000 2.953 117 T HA 0.135 4.484 4.350 -0.000 0.000 0.247 117 T C 1.560 176.203 174.700 -0.096 0.000 1.029 117 T CA 0.668 62.720 62.100 -0.079 0.000 1.144 117 T CB -0.469 68.332 68.868 -0.111 0.000 0.870 117 T HN 0.043 nan 8.240 nan 0.000 0.446 118 L N 0.532 121.643 121.223 -0.187 0.000 2.509 118 L HA 0.321 4.660 4.340 -0.000 0.000 0.222 118 L C 1.685 178.608 176.870 0.088 0.000 1.123 118 L CA 0.144 54.861 54.840 -0.205 0.000 0.856 118 L CB -0.822 40.747 42.059 -0.816 0.000 0.985 118 L HN 0.503 nan 8.230 nan 0.000 0.456 119 G N 0.108 108.985 108.800 0.128 0.000 2.512 119 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.240 119 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.240 119 G C 0.147 175.282 174.900 0.390 0.000 1.246 119 G CA -0.503 44.725 45.100 0.214 0.000 0.919 119 G HN 0.435 nan 8.290 nan 0.000 0.577 120 G N -0.918 108.065 108.800 0.305 0.000 2.451 120 G HA2 0.713 4.673 3.960 -0.000 0.000 0.303 120 G HA3 0.713 4.673 3.960 -0.000 0.000 0.303 120 G C -1.120 173.823 174.900 0.072 0.000 1.166 120 G CA 0.190 45.465 45.100 0.291 0.000 0.884 120 G HN 1.372 nan 8.290 nan 0.000 0.514 121 F N 1.602 121.403 119.950 -0.250 0.000 2.557 121 F HA 0.663 5.189 4.527 -0.000 0.000 0.316 121 F C -1.133 174.514 175.800 -0.255 0.000 1.141 121 F CA -1.091 56.501 58.000 -0.681 0.000 0.922 121 F CB 1.436 39.573 39.000 -1.438 0.000 1.194 121 F HN 0.718 nan 8.300 nan 0.000 0.443 122 W N 5.059 126.032 121.300 -0.545 0.000 3.025 122 W HA 0.519 5.178 4.660 -0.000 0.000 0.343 122 W C -0.978 175.157 176.519 -0.640 0.000 1.246 122 W CA -1.084 56.013 57.345 -0.414 0.000 1.178 122 W CB 0.476 29.800 29.460 -0.226 0.000 1.463 122 W HN 0.403 nan 8.180 nan 0.000 0.578 123 L N 1.780 122.838 121.223 -0.274 0.000 2.141 123 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 123 L C 2.136 178.837 176.870 -0.282 0.000 1.094 123 L CA 1.943 56.475 54.840 -0.514 0.000 0.763 123 L CB -0.775 40.992 42.059 -0.486 0.000 0.908 123 L HN 0.711 nan 8.230 nan 0.000 0.437 124 S N -1.476 114.185 115.700 -0.066 0.000 2.575 124 S HA -0.023 4.447 4.470 -0.000 0.000 0.215 124 S C 0.941 175.441 174.600 -0.167 0.000 0.966 124 S CA -0.245 57.944 58.200 -0.019 0.000 0.911 124 S CB -0.135 63.139 63.200 0.122 0.000 0.780 124 S HN 0.225 nan 8.310 nan 0.000 0.514 125 K N 2.987 123.051 120.400 -0.560 0.000 2.142 125 K HA 0.191 4.511 4.320 -0.000 0.000 0.250 125 K C 1.201 177.499 176.600 -0.503 0.000 1.148 125 K CA 0.170 56.004 56.287 -0.755 0.000 1.040 125 K CB 0.034 31.582 32.500 -1.587 0.000 1.569 125 K HN 0.417 nan 8.250 nan 0.000 0.361 126 S N 2.417 117.953 115.700 -0.273 0.000 2.400 126 S HA -0.189 4.280 4.470 -0.000 0.000 0.232 126 S C 1.253 175.781 174.600 -0.120 0.000 1.025 126 S CA 1.113 59.219 58.200 -0.157 0.000 0.993 126 S CB -0.082 63.048 63.200 -0.115 0.000 0.808 126 S HN 0.689 nan 8.310 nan 0.000 0.478 127 E N 1.150 121.266 120.200 -0.139 0.000 2.347 127 E HA 0.165 4.514 4.350 -0.000 0.000 0.196 127 E C 2.169 178.760 176.600 -0.016 0.000 1.008 127 E CA 0.674 57.039 56.400 -0.058 0.000 0.852 127 E CB -0.220 29.449 29.700 -0.051 0.000 0.783 127 E HN 0.746 nan 8.360 nan 0.000 0.505 128 A N 0.410 123.138 122.820 -0.153 0.000 1.878 128 A HA -0.044 4.275 4.320 -0.000 0.000 0.213 128 A C 2.355 179.905 177.584 -0.056 0.000 1.192 128 A CA 0.444 52.427 52.037 -0.091 0.000 0.619 128 A CB -0.384 18.332 19.000 -0.474 0.000 0.837 128 A HN 0.100 nan 8.150 nan 0.000 0.446 129 V N 0.203 119.942 119.914 -0.292 0.000 2.469 129 V HA -0.174 3.946 4.120 -0.000 0.000 0.251 129 V C 2.460 178.768 176.094 0.358 0.000 1.064 129 V CA 1.903 64.249 62.300 0.077 0.000 1.066 129 V CB -1.061 30.747 31.823 -0.024 0.000 0.667 129 V HN 0.613 nan 8.190 nan 0.000 0.461 130 G N -0.849 108.057 108.800 0.177 0.000 3.088 130 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.212 130 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.212 130 G C 0.239 175.252 174.900 0.188 0.000 1.173 130 G CA 0.032 45.207 45.100 0.125 0.000 0.779 130 G HN 0.468 nan 8.290 nan 0.000 0.540 131 D N 0.763 121.388 120.400 0.374 0.000 2.359 131 D HA 0.478 5.118 4.640 -0.000 0.000 0.230 131 D C 1.495 178.116 176.300 0.535 0.000 1.118 131 D CA -0.188 54.045 54.000 0.389 0.000 0.844 131 D CB 1.376 42.438 40.800 0.436 0.000 1.059 131 D HN -0.021 nan 8.370 nan 0.000 0.493 132 A N 4.943 127.964 122.820 0.335 0.000 2.032 132 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 132 A C 1.997 179.802 177.584 0.369 0.000 1.165 132 A CA 1.183 53.431 52.037 0.350 0.000 0.645 132 A CB -0.246 18.854 19.000 0.166 0.000 0.807 132 A HN 0.669 nan 8.150 nan 0.000 0.453 133 R N -2.051 118.576 120.500 0.213 0.000 2.237 133 R HA -0.156 4.184 4.340 -0.000 0.000 0.219 133 R C 1.614 177.887 176.300 -0.046 0.000 1.080 133 R CA 1.246 57.366 56.100 0.033 0.000 0.995 133 R CB -0.257 29.979 30.300 -0.108 0.000 0.875 133 R HN 0.799 nan 8.270 nan 0.000 0.462 134 W N -0.528 120.791 121.300 0.033 0.000 2.467 134 W HA -0.054 4.605 4.660 -0.000 0.000 0.275 134 W C 0.029 176.332 176.519 -0.360 0.000 1.239 134 W CA -0.067 57.112 57.345 -0.277 0.000 1.266 134 W CB 0.048 29.155 29.460 -0.588 0.000 1.112 134 W HN -0.008 nan 8.180 nan 0.000 0.576 135 W N 1.272 122.663 121.300 0.153 0.000 2.283 135 W HA 0.556 5.215 4.660 -0.000 0.000 0.317 135 W C 0.633 177.255 176.519 0.172 0.000 1.042 135 W CA -0.992 56.361 57.345 0.012 0.000 1.348 135 W CB 0.156 29.532 29.460 -0.140 0.000 1.216 135 W HN -0.273 nan 8.180 nan 0.000 0.404 136 G N 1.405 110.475 108.800 0.450 0.000 2.580 136 G HA2 0.563 4.522 3.960 -0.000 0.000 0.278 136 G HA3 0.563 4.522 3.960 -0.000 0.000 0.278 136 G C 0.577 175.689 174.900 0.354 0.000 1.212 136 G CA 0.174 45.491 45.100 0.363 0.000 0.939 136 G HN 0.946 nan 8.290 nan 0.000 0.513 137 G N -0.684 108.225 108.800 0.181 0.000 2.601 137 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.252 137 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.252 137 G C -0.019 174.889 174.900 0.012 0.000 1.294 137 G CA 0.479 45.611 45.100 0.052 0.000 0.912 137 G HN 1.024 nan 8.290 nan 0.000 0.574 138 E N 0.903 121.032 120.200 -0.119 0.000 2.316 138 E HA 0.471 4.821 4.350 -0.000 0.000 0.254 138 E C -2.542 173.881 176.600 -0.295 0.000 0.902 138 E CA -1.994 54.317 56.400 -0.149 0.000 0.801 138 E CB 2.113 31.761 29.700 -0.087 0.000 1.270 138 E HN 0.411 nan 8.360 nan 0.000 0.414 139 P HA -0.013 nan 4.420 nan 0.000 0.274 139 P C 1.241 178.149 177.300 -0.655 0.000 1.237 139 P CA -0.280 62.356 63.100 -0.773 0.000 0.793 139 P CB 1.227 32.060 31.700 -1.446 0.000 0.977 140 V N -0.932 118.723 119.914 -0.432 0.000 2.469 140 V HA -0.235 3.885 4.120 -0.000 0.000 0.251 140 V C 2.108 178.108 176.094 -0.157 0.000 1.064 140 V CA 1.800 63.983 62.300 -0.195 0.000 1.066 140 V CB -2.209 29.541 31.823 -0.122 0.000 0.667 140 V HN 0.723 nan 8.190 nan 0.000 0.461 141 W N 0.514 121.764 121.300 -0.082 0.000 2.374 141 W HA 0.063 4.723 4.660 -0.000 0.000 0.288 141 W C 1.927 178.412 176.519 -0.057 0.000 1.218 141 W CA 1.085 58.381 57.345 -0.082 0.000 1.245 141 W CB -1.493 27.905 29.460 -0.104 0.000 1.126 141 W HN 0.071 nan 8.180 nan 0.000 0.545 142 V N 2.420 122.214 119.914 -0.200 0.000 2.307 142 V HA -0.156 3.963 4.120 -0.000 0.000 0.245 142 V C 2.678 178.742 176.094 -0.050 0.000 1.045 142 V CA 2.271 64.526 62.300 -0.074 0.000 1.024 142 V CB -1.576 30.151 31.823 -0.161 0.000 0.651 142 V HN 0.450 nan 8.190 nan 0.000 0.449 143 G N -0.021 108.728 108.800 -0.086 0.000 2.476 143 G HA2 -0.244 3.715 3.960 -0.000 0.000 0.218 143 G HA3 -0.244 3.715 3.960 -0.000 0.000 0.218 143 G C 1.687 176.565 174.900 -0.036 0.000 1.164 143 G CA 1.430 46.500 45.100 -0.049 0.000 0.768 143 G HN 0.372 nan 8.290 nan 0.000 0.560 144 V N 0.726 120.625 119.914 -0.024 0.000 2.261 144 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 144 V C 2.830 178.906 176.094 -0.030 0.000 1.047 144 V CA 2.089 64.377 62.300 -0.020 0.000 1.015 144 V CB -0.391 31.439 31.823 0.012 0.000 0.642 144 V HN 0.335 nan 8.190 nan 0.000 0.446 145 E N 0.401 120.605 120.200 0.006 0.000 2.118 145 E HA -0.202 4.147 4.350 -0.000 0.000 0.195 145 E C 1.946 178.529 176.600 -0.028 0.000 0.992 145 E CA 1.173 57.571 56.400 -0.005 0.000 0.804 145 E CB -0.466 29.269 29.700 0.059 0.000 0.741 145 E HN 0.560 nan 8.360 nan 0.000 0.458 146 N N 0.339 119.028 118.700 -0.018 0.000 2.512 146 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 146 N C 1.464 176.955 175.510 -0.033 0.000 1.073 146 N CA 1.125 54.163 53.050 -0.020 0.000 0.911 146 N CB -0.137 38.341 38.487 -0.014 0.000 0.964 146 N HN 0.248 nan 8.380 nan 0.000 0.447 147 T N -3.652 110.873 114.554 -0.047 0.000 3.144 147 T HA 0.289 4.638 4.350 -0.000 0.000 0.249 147 T C 1.268 175.922 174.700 -0.076 0.000 1.089 147 T CA 0.305 62.372 62.100 -0.054 0.000 0.989 147 T CB -0.018 68.817 68.868 -0.054 0.000 0.992 147 T HN 0.203 nan 8.240 nan 0.000 0.540 148 G N 0.896 109.637 108.800 -0.098 0.000 2.143 148 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.248 148 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.248 148 G C -0.194 174.537 174.900 -0.282 0.000 0.991 148 G CA 0.278 45.291 45.100 -0.146 0.000 0.689 148 G HN 0.674 nan 8.290 nan 0.000 0.522 149 Q N -0.691 118.937 119.800 -0.286 0.000 2.207 149 Q HA 0.667 5.007 4.340 -0.000 0.000 0.237 149 Q C -0.248 175.454 176.000 -0.497 0.000 0.998 149 Q CA -0.929 54.658 55.803 -0.359 0.000 0.951 149 Q CB 1.175 29.826 28.738 -0.144 0.000 1.213 149 Q HN 0.526 nan 8.270 nan 0.000 0.499 150 H N -0.880 118.192 119.070 0.004 0.000 2.622 150 H HA 0.680 5.235 4.556 -0.000 0.000 0.363 150 H C -1.170 174.149 175.328 -0.015 0.000 1.151 150 H CA -0.705 55.339 56.048 -0.007 0.000 1.184 150 H CB 1.871 31.622 29.762 -0.020 0.000 1.643 150 H HN 0.698 nan 8.280 nan 0.000 0.531 151 A N 1.222 124.102 122.820 0.099 0.000 2.355 151 A HA 0.743 5.062 4.320 -0.000 0.000 0.317 151 A C -0.795 176.715 177.584 -0.123 0.000 1.094 151 A CA -0.533 51.517 52.037 0.020 0.000 0.764 151 A CB 1.228 20.280 19.000 0.088 0.000 1.230 151 A HN 0.757 nan 8.150 nan 0.000 0.448 152 A N 1.643 124.326 122.820 -0.228 0.000 2.330 152 A HA 0.792 5.112 4.320 -0.000 0.000 0.313 152 A C -0.107 177.221 177.584 -0.428 0.000 1.124 152 A CA -0.058 51.619 52.037 -0.599 0.000 0.774 152 A CB 0.800 19.189 19.000 -1.020 0.000 1.198 152 A HN 1.643 nan 8.150 nan 0.000 0.465 153 T N -0.539 113.757 114.554 -0.429 0.000 2.809 153 T HA 0.428 4.778 4.350 -0.000 0.000 0.284 153 T C -0.589 174.213 174.700 0.170 0.000 0.992 153 T CA -0.321 61.719 62.100 -0.100 0.000 0.957 153 T CB 0.994 69.682 68.868 -0.299 0.000 0.942 153 T HN 0.726 nan 8.240 nan 0.000 0.439 154 W N 5.657 127.148 121.300 0.317 0.000 2.085 154 W HA 0.322 4.982 4.660 -0.000 0.000 0.392 154 W C 0.473 177.132 176.519 0.233 0.000 0.862 154 W CA 0.069 57.626 57.345 0.354 0.000 1.542 154 W CB -0.661 29.006 29.460 0.346 0.000 1.672 154 W HN 1.301 nan 8.180 nan 0.000 0.309 155 S N 2.767 118.499 115.700 0.053 0.000 3.697 155 S HA -0.261 4.209 4.470 -0.000 0.000 0.388 155 S C -0.309 174.209 174.600 -0.136 0.000 0.941 155 S CA 0.263 58.440 58.200 -0.040 0.000 1.247 155 S CB -2.194 61.056 63.200 0.084 0.000 0.904 155 S HN 0.549 nan 8.310 nan 0.000 0.518 156 W N 2.128 123.281 121.300 -0.246 0.000 2.322 156 W HA 0.433 5.093 4.660 -0.000 0.000 0.307 156 W C -2.681 173.602 176.519 -0.394 0.000 1.220 156 W CA -2.370 54.820 57.345 -0.258 0.000 1.210 156 W CB 0.958 30.360 29.460 -0.097 0.000 1.223 156 W HN 0.194 nan 8.180 nan 0.000 0.511 157 P HA 0.024 nan 4.420 nan 0.000 0.258 157 P C 0.583 177.716 177.300 -0.278 0.000 1.172 157 P CA 2.242 64.941 63.100 -0.668 0.000 0.762 157 P CB 0.253 31.230 31.700 -1.205 0.000 0.764 158 G N 2.769 111.100 108.800 -0.781 0.000 2.259 158 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 158 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 158 G C 1.177 175.712 174.900 -0.608 0.000 1.001 158 G CA 0.346 44.617 45.100 -1.381 0.000 0.627 158 G HN 0.565 nan 8.290 nan 0.000 0.501 159 S N 0.270 115.632 115.700 -0.564 0.000 2.561 159 S HA 0.177 4.646 4.470 -0.000 0.000 0.225 159 S C 1.413 175.604 174.600 -0.683 0.000 0.977 159 S CA 1.364 59.061 58.200 -0.839 0.000 0.926 159 S CB -0.019 62.581 63.200 -1.000 0.000 0.769 159 S HN 0.607 nan 8.310 nan 0.000 0.533 160 E N 0.929 120.810 120.200 -0.532 0.000 2.489 160 E HA 0.355 4.705 4.350 -0.000 0.000 0.193 160 E C 0.649 176.955 176.600 -0.490 0.000 1.057 160 E CA 0.174 56.261 56.400 -0.521 0.000 0.866 160 E CB 0.349 29.929 29.700 -0.199 0.000 0.916 160 E HN 0.688 nan 8.360 nan 0.000 0.500 161 A N 0.985 123.538 122.820 -0.445 0.000 2.299 161 A HA 0.687 5.007 4.320 -0.000 0.000 0.332 161 A C -0.191 177.239 177.584 -0.256 0.000 1.131 161 A CA -0.494 51.373 52.037 -0.284 0.000 0.844 161 A CB 1.069 19.927 19.000 -0.236 0.000 1.251 161 A HN 0.117 nan 8.150 nan 0.000 0.486 162 A N 1.700 124.440 122.820 -0.134 0.000 3.094 162 A HA 0.520 4.840 4.320 -0.000 0.000 0.288 162 A C -0.029 177.559 177.584 0.005 0.000 1.519 162 A CA -0.275 51.718 52.037 -0.074 0.000 1.227 162 A CB -1.113 17.856 19.000 -0.052 0.000 1.175 162 A HN 0.630 nan 8.150 nan 0.000 0.568 163 I N 1.256 121.842 120.570 0.026 0.000 2.598 163 I HA -0.004 4.166 4.170 -0.000 0.000 0.284 163 I C 0.670 176.822 176.117 0.059 0.000 1.140 163 I CA 0.101 61.445 61.300 0.074 0.000 1.420 163 I CB 0.452 38.505 38.000 0.088 0.000 1.387 163 I HN 0.678 nan 8.210 nan 0.000 0.553 164 K N 4.749 125.188 120.400 0.065 0.000 3.016 164 K HA -0.243 4.077 4.320 -0.000 0.000 0.262 164 K C 0.921 177.541 176.600 0.033 0.000 1.043 164 K CA 0.548 56.861 56.287 0.043 0.000 0.761 164 K CB -1.737 30.779 32.500 0.028 0.000 1.230 164 K HN 1.199 nan 8.250 nan 0.000 0.485 165 G N -1.329 107.491 108.800 0.033 0.000 2.155 165 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.257 165 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.257 165 G C 0.035 174.947 174.900 0.020 0.000 0.983 165 G CA 0.234 45.348 45.100 0.024 0.000 0.676 165 G HN 0.275 nan 8.290 nan 0.000 0.528 166 V N 0.494 120.423 119.914 0.025 0.000 2.531 166 V HA 0.653 4.773 4.120 -0.000 0.000 0.301 166 V C 0.462 176.576 176.094 0.034 0.000 1.034 166 V CA -0.983 61.338 62.300 0.036 0.000 0.865 166 V CB 1.712 33.566 31.823 0.052 0.000 0.995 166 V HN 0.389 nan 8.190 nan 0.000 0.424 167 R N 3.911 124.402 120.500 -0.014 0.000 2.720 167 R HA 0.582 4.922 4.340 -0.000 0.000 0.272 167 R C -2.619 173.660 176.300 -0.035 0.000 0.991 167 R CA -1.880 54.141 56.100 -0.131 0.000 1.010 167 R CB 1.454 31.576 30.300 -0.296 0.000 1.141 167 R HN 0.415 nan 8.270 nan 0.000 0.494 168 P HA 0.063 nan 4.420 nan 0.000 0.270 168 P C -0.026 177.327 177.300 0.088 0.000 1.223 168 P CA 0.020 63.086 63.100 -0.058 0.000 0.785 168 P CB 0.685 32.222 31.700 -0.271 0.000 0.923 169 S N -0.483 115.251 115.700 0.058 0.000 2.383 169 S HA -0.109 4.361 4.470 -0.000 0.000 0.227 169 S C 0.540 175.109 174.600 -0.053 0.000 1.026 169 S CA 1.266 59.487 58.200 0.034 0.000 0.981 169 S CB -0.228 62.973 63.200 0.002 0.000 0.818 169 S HN 0.541 nan 8.310 nan 0.000 0.472 170 Q N 0.120 119.807 119.800 -0.187 0.000 2.347 170 Q HA 0.494 4.834 4.340 -0.000 0.000 0.271 170 Q C -1.107 174.693 176.000 -0.333 0.000 1.064 170 Q CA -0.669 54.903 55.803 -0.386 0.000 0.800 170 Q CB 2.423 30.727 28.738 -0.724 0.000 1.304 170 Q HN 0.540 nan 8.270 nan 0.000 0.438 171 W N 0.947 122.038 121.300 -0.347 0.000 2.926 171 W HA 0.620 5.280 4.660 -0.000 0.000 0.361 171 W C -1.763 174.595 176.519 -0.268 0.000 1.195 171 W CA -0.781 56.364 57.345 -0.333 0.000 1.177 171 W CB 0.946 30.177 29.460 -0.382 0.000 1.453 171 W HN 0.796 nan 8.180 nan 0.000 0.571 172 R N 0.213 120.723 120.500 0.017 0.000 2.733 172 R HA 0.401 4.740 4.340 -0.000 0.000 0.272 172 R C -1.304 174.954 176.300 -0.070 0.000 1.029 172 R CA -0.928 55.056 56.100 -0.194 0.000 0.888 172 R CB 1.759 31.845 30.300 -0.356 0.000 1.251 172 R HN 0.505 nan 8.270 nan 0.000 0.464 173 H N 0.970 120.080 119.070 0.065 0.000 2.690 173 H HA 0.093 4.649 4.556 -0.000 0.000 0.314 173 H C -0.727 174.583 175.328 -0.029 0.000 1.069 173 H CA -0.141 55.942 56.048 0.058 0.000 1.436 173 H CB 0.685 30.479 29.762 0.053 0.000 1.462 173 H HN 0.468 nan 8.280 nan 0.000 0.511 174 Y N 2.832 123.134 120.300 0.004 0.000 2.511 174 Y HA 0.086 4.636 4.550 -0.000 0.000 0.332 174 Y C -0.217 175.683 175.900 0.000 0.000 1.177 174 Y CA 0.203 58.273 58.100 -0.050 0.000 1.422 174 Y CB 0.461 38.892 38.460 -0.049 0.000 1.271 174 Y HN 0.560 nan 8.280 nan 0.000 0.550 175 Q N 4.335 123.636 119.800 -0.832 0.000 2.379 175 Q HA 0.365 4.705 4.340 -0.000 0.000 0.278 175 Q C -1.363 174.183 176.000 -0.757 0.000 1.068 175 Q CA -0.931 54.518 55.803 -0.589 0.000 0.816 175 Q CB 1.757 30.344 28.738 -0.252 0.000 1.387 175 Q HN 0.626 nan 8.270 nan 0.000 0.413 176 K N 0.272 120.439 120.400 -0.389 0.000 2.168 176 K HA 0.528 4.848 4.320 -0.000 0.000 0.258 176 K C 0.500 177.047 176.600 -0.089 0.000 1.010 176 K CA 0.344 56.519 56.287 -0.186 0.000 0.929 176 K CB 0.570 33.063 32.500 -0.010 0.000 0.998 176 K HN 0.885 nan 8.250 nan 0.000 0.479 177 G N 0.077 108.871 108.800 -0.011 0.000 2.136 177 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.242 177 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.242 177 G C 0.069 175.008 174.900 0.066 0.000 0.989 177 G CA -0.042 45.081 45.100 0.039 0.000 0.682 177 G HN 0.346 nan 8.290 nan 0.000 0.522 178 V N 1.183 121.149 119.914 0.087 0.000 2.637 178 V HA 0.269 4.388 4.120 -0.000 0.000 0.296 178 V C 1.523 177.714 176.094 0.162 0.000 1.046 178 V CA -0.225 62.161 62.300 0.144 0.000 1.066 178 V CB 0.869 32.853 31.823 0.269 0.000 0.968 178 V HN 0.464 nan 8.190 nan 0.000 0.483 179 R N 3.091 123.655 120.500 0.107 0.000 2.734 179 R HA 0.157 4.497 4.340 -0.000 0.000 0.266 179 R C 1.225 177.553 176.300 0.048 0.000 1.044 179 R CA -0.343 55.803 56.100 0.076 0.000 1.128 179 R CB 0.317 30.635 30.300 0.030 0.000 1.010 179 R HN 0.600 nan 8.270 nan 0.000 0.461 180 L N 1.138 122.383 121.223 0.038 0.000 2.017 180 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 180 L C 1.551 178.389 176.870 -0.054 0.000 1.073 180 L CA 1.391 56.242 54.840 0.019 0.000 0.745 180 L CB -0.264 41.788 42.059 -0.012 0.000 0.894 180 L HN 0.672 nan 8.230 nan 0.000 0.432 181 D N -0.904 119.460 120.400 -0.061 0.000 2.269 181 D HA -0.104 4.536 4.640 -0.000 0.000 0.208 181 D C 2.053 178.267 176.300 -0.142 0.000 0.963 181 D CA 1.304 55.249 54.000 -0.091 0.000 0.864 181 D CB 0.136 40.897 40.800 -0.066 0.000 0.936 181 D HN 0.338 nan 8.370 nan 0.000 0.505 182 T N 1.671 116.147 114.554 -0.130 0.000 2.684 182 T HA -0.196 4.154 4.350 -0.000 0.000 0.267 182 T C 2.038 176.502 174.700 -0.394 0.000 1.036 182 T CA 1.325 63.330 62.100 -0.157 0.000 1.148 182 T CB -0.097 68.749 68.868 -0.036 0.000 0.863 182 T HN 0.364 nan 8.240 nan 0.000 0.436 183 R N 0.985 121.123 120.500 -0.603 0.000 2.115 183 R HA 0.054 4.394 4.340 -0.000 0.000 0.226 183 R C 2.238 178.028 176.300 -0.849 0.000 1.100 183 R CA 0.892 56.201 56.100 -1.317 0.000 0.980 183 R CB -0.982 28.372 30.300 -1.578 0.000 0.875 183 R HN 0.218 nan 8.270 nan 0.000 0.445 184 V N 2.465 122.105 119.914 -0.456 0.000 2.295 184 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 184 V C 1.726 177.654 176.094 -0.277 0.000 1.049 184 V CA 2.235 64.371 62.300 -0.274 0.000 1.024 184 V CB -0.582 31.163 31.823 -0.130 0.000 0.648 184 V HN 0.300 nan 8.190 nan 0.000 0.447 185 D N 0.269 120.503 120.400 -0.277 0.000 2.116 185 D HA -0.165 4.475 4.640 -0.000 0.000 0.193 185 D C 2.219 178.316 176.300 -0.338 0.000 0.998 185 D CA 1.790 55.645 54.000 -0.242 0.000 0.836 185 D CB -0.380 40.304 40.800 -0.194 0.000 0.951 185 D HN 0.433 nan 8.370 nan 0.000 0.449 186 A N 0.262 122.779 122.820 -0.506 0.000 1.877 186 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 186 A C 2.548 179.579 177.584 -0.921 0.000 1.186 186 A CA 1.439 53.016 52.037 -0.767 0.000 0.620 186 A CB -0.781 17.736 19.000 -0.805 0.000 0.822 186 A HN 0.163 nan 8.150 nan 0.000 0.443 187 V N -0.197 119.358 119.914 -0.597 0.000 2.358 187 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 187 V C 2.622 178.675 176.094 -0.067 0.000 1.047 187 V CA 2.134 64.316 62.300 -0.197 0.000 1.035 187 V CB -0.801 30.976 31.823 -0.078 0.000 0.658 187 V HN 0.510 nan 8.190 nan 0.000 0.452 188 R N 0.024 120.449 120.500 -0.126 0.000 2.083 188 R HA -0.160 4.180 4.340 -0.000 0.000 0.237 188 R C 2.464 178.741 176.300 -0.038 0.000 1.137 188 R CA 1.684 57.748 56.100 -0.059 0.000 0.951 188 R CB -0.909 29.343 30.300 -0.080 0.000 0.851 188 R HN 0.604 nan 8.270 nan 0.000 0.434 189 G N 0.284 109.014 108.800 -0.117 0.000 2.446 189 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 189 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 189 G C 0.830 175.781 174.900 0.086 0.000 1.168 189 G CA 0.600 45.657 45.100 -0.071 0.000 0.771 189 G HN 0.323 nan 8.290 nan 0.000 0.551 190 W N 0.642 121.961 121.300 0.032 0.000 2.374 190 W HA 0.147 4.806 4.660 -0.000 0.000 0.288 190 W C 2.459 179.003 176.519 0.041 0.000 1.218 190 W CA 0.229 57.599 57.345 0.041 0.000 1.245 190 W CB -0.961 28.538 29.460 0.065 0.000 1.126 190 W HN 0.175 nan 8.180 nan 0.000 0.545 191 L N -0.202 121.173 121.223 0.253 0.000 2.240 191 L HA -0.056 4.284 4.340 -0.000 0.000 0.211 191 L C 2.535 179.475 176.870 0.117 0.000 1.106 191 L CA 1.185 56.123 54.840 0.162 0.000 0.793 191 L CB -0.879 41.252 42.059 0.119 0.000 0.927 191 L HN -0.155 nan 8.230 nan 0.000 0.446 192 A N -0.586 122.295 122.820 0.101 0.000 2.021 192 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 192 A C 1.308 178.937 177.584 0.075 0.000 1.163 192 A CA 0.740 52.819 52.037 0.070 0.000 0.676 192 A CB -0.748 18.279 19.000 0.044 0.000 0.818 192 A HN 0.411 nan 8.150 nan 0.000 0.453 193 T N 1.110 115.724 114.554 0.099 0.000 2.934 193 T HA 0.365 4.715 4.350 -0.000 0.000 0.306 193 T C -0.199 174.543 174.700 0.071 0.000 1.042 193 T CA 0.127 62.278 62.100 0.085 0.000 1.145 193 T CB 0.577 69.507 68.868 0.103 0.000 0.982 193 T HN 0.510 nan 8.240 nan 0.000 0.544 194 D N 0.707 121.139 120.400 0.054 0.000 2.712 194 D HA 0.678 5.318 4.640 -0.000 0.000 0.252 194 D C 0.877 177.202 176.300 0.042 0.000 1.123 194 D CA -0.016 54.014 54.000 0.049 0.000 1.109 194 D CB 0.317 41.142 40.800 0.041 0.000 1.313 194 D HN 1.040 nan 8.370 nan 0.000 0.629 195 G N -0.731 108.093 108.800 0.040 0.000 2.601 195 G HA2 0.002 3.962 3.960 -0.000 0.000 0.261 195 G HA3 0.002 3.962 3.960 -0.000 0.000 0.261 195 G C 0.971 175.902 174.900 0.052 0.000 1.289 195 G CA 1.549 46.671 45.100 0.037 0.000 0.920 195 G HN 1.275 nan 8.290 nan 0.000 0.571 196 A N -1.546 121.304 122.820 0.050 0.000 2.019 196 A HA 0.076 4.396 4.320 -0.000 0.000 0.219 196 A C 2.103 179.747 177.584 0.100 0.000 1.164 196 A CA 2.431 54.520 52.037 0.086 0.000 0.644 196 A CB -0.314 18.730 19.000 0.074 0.000 0.805 196 A HN 0.834 nan 8.150 nan 0.000 0.449 197 Q N -0.227 119.566 119.800 -0.012 0.000 2.253 197 Q HA 0.150 4.490 4.340 -0.000 0.000 0.210 197 Q C 0.618 176.614 176.000 -0.007 0.000 0.907 197 Q CA -0.077 55.635 55.803 -0.153 0.000 0.948 197 Q CB -0.258 28.393 28.738 -0.145 0.000 1.033 197 Q HN 0.598 nan 8.270 nan 0.000 0.471 198 R N 1.608 122.175 120.500 0.112 0.000 2.570 198 R HA 0.026 4.366 4.340 -0.000 0.000 0.277 198 R C -0.758 175.641 176.300 0.165 0.000 1.039 198 R CA 0.143 56.318 56.100 0.125 0.000 1.065 198 R CB 0.436 30.802 30.300 0.111 0.000 0.964 198 R HN 0.131 nan 8.270 nan 0.000 0.428 199 N N 3.559 122.332 118.700 0.122 0.000 2.437 199 N HA 0.057 4.797 4.740 -0.000 0.000 0.259 199 N C 0.356 175.922 175.510 0.093 0.000 0.983 199 N CA -0.266 52.851 53.050 0.112 0.000 0.937 199 N CB 1.800 40.336 38.487 0.081 0.000 1.122 199 N HN 0.527 nan 8.380 nan 0.000 0.499 200 R N 1.929 122.473 120.500 0.073 0.000 2.115 200 R HA 0.111 4.451 4.340 -0.000 0.000 0.226 200 R C -0.093 176.239 176.300 0.053 0.000 1.100 200 R CA 1.047 57.177 56.100 0.051 0.000 0.980 200 R CB -0.091 30.221 30.300 0.019 0.000 0.875 200 R HN 0.511 nan 8.270 nan 0.000 0.445 201 L N 0.240 121.495 121.223 0.054 0.000 2.362 201 L HA 0.550 4.890 4.340 -0.000 0.000 0.275 201 L C -1.582 175.326 176.870 0.064 0.000 0.998 201 L CA -0.842 54.030 54.840 0.055 0.000 0.820 201 L CB 2.423 44.511 42.059 0.049 0.000 1.270 201 L HN -0.171 nan 8.230 nan 0.000 0.415 202 V N 3.093 123.066 119.914 0.099 0.000 2.588 202 V HA 0.713 4.833 4.120 -0.000 0.000 0.304 202 V C -0.110 176.095 176.094 0.185 0.000 1.042 202 V CA -0.263 62.132 62.300 0.159 0.000 0.877 202 V CB 2.087 34.058 31.823 0.247 0.000 0.996 202 V HN 0.892 nan 8.190 nan 0.000 0.425 203 T N 2.743 117.437 114.554 0.232 0.000 2.912 203 T HA 0.874 5.224 4.350 -0.000 0.000 0.288 203 T C -1.128 173.842 174.700 0.450 0.000 1.030 203 T CA -0.723 61.562 62.100 0.307 0.000 1.020 203 T CB 1.946 70.973 68.868 0.264 0.000 1.056 203 T HN 0.534 nan 8.240 nan 0.000 0.480 204 L N 1.961 123.463 121.223 0.466 0.000 2.409 204 L HA 0.810 5.150 4.340 -0.000 0.000 0.262 204 L C -1.990 175.117 176.870 0.395 0.000 0.992 204 L CA -1.029 54.016 54.840 0.343 0.000 0.817 204 L CB 2.162 44.302 42.059 0.135 0.000 1.350 204 L HN 0.924 nan 8.230 nan 0.000 0.411 205 Y N 3.501 123.845 120.300 0.073 0.000 2.457 205 Y HA 0.741 5.291 4.550 -0.000 0.000 0.343 205 Y C -2.014 173.801 175.900 -0.142 0.000 0.994 205 Y CA -1.028 57.110 58.100 0.064 0.000 1.031 205 Y CB 1.754 40.255 38.460 0.068 0.000 1.246 205 Y HN 0.491 nan 8.280 nan 0.000 0.449 206 F N 5.088 124.673 119.950 -0.607 0.000 2.529 206 F HA 0.334 4.861 4.527 -0.000 0.000 0.320 206 F C 0.814 176.180 175.800 -0.723 0.000 1.118 206 F CA -0.728 57.051 58.000 -0.369 0.000 0.915 206 F CB 1.955 40.912 39.000 -0.072 0.000 1.161 206 F HN 0.636 nan 8.300 nan 0.000 0.445 207 E N 1.467 121.542 120.200 -0.208 0.000 2.447 207 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 207 E C 0.761 177.352 176.600 -0.014 0.000 1.028 207 E CA 0.906 57.245 56.400 -0.102 0.000 0.876 207 E CB -0.305 29.469 29.700 0.123 0.000 0.885 207 E HN 0.776 nan 8.360 nan 0.000 0.500 208 H N 1.144 120.255 119.070 0.068 0.000 2.387 208 H HA -0.021 4.534 4.556 -0.000 0.000 0.299 208 H C 2.209 177.533 175.328 -0.005 0.000 1.090 208 H CA 1.630 57.712 56.048 0.056 0.000 1.332 208 H CB -0.175 29.609 29.762 0.037 0.000 1.386 208 H HN -0.011 nan 8.280 nan 0.000 0.516 209 V N 0.610 120.543 119.914 0.032 0.000 2.307 209 V HA -0.231 3.889 4.120 -0.000 0.000 0.245 209 V C 2.101 178.176 176.094 -0.031 0.000 1.045 209 V CA 2.113 64.304 62.300 -0.182 0.000 1.024 209 V CB -0.442 31.181 31.823 -0.332 0.000 0.651 209 V HN 0.439 nan 8.190 nan 0.000 0.449 210 D N 0.058 120.507 120.400 0.082 0.000 2.097 210 D HA -0.206 4.434 4.640 -0.000 0.000 0.195 210 D C 2.138 178.620 176.300 0.303 0.000 0.989 210 D CA 1.626 55.752 54.000 0.211 0.000 0.827 210 D CB -0.060 40.900 40.800 0.266 0.000 0.966 210 D HN 0.540 nan 8.370 nan 0.000 0.456 211 E N -0.072 120.283 120.200 0.259 0.000 2.058 211 E HA -0.204 4.145 4.350 -0.000 0.000 0.194 211 E C 2.186 178.936 176.600 0.251 0.000 0.997 211 E CA 1.023 57.579 56.400 0.259 0.000 0.801 211 E CB -0.227 29.572 29.700 0.164 0.000 0.746 211 E HN 0.401 nan 8.360 nan 0.000 0.450 212 A N 1.239 124.202 122.820 0.238 0.000 1.930 212 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 212 A C 2.430 180.233 177.584 0.365 0.000 1.175 212 A CA 1.651 53.875 52.037 0.311 0.000 0.627 212 A CB -1.037 18.101 19.000 0.230 0.000 0.815 212 A HN 0.356 nan 8.150 nan 0.000 0.443 213 G N -1.259 107.782 108.800 0.401 0.000 2.418 213 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 213 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 213 G C 1.522 176.477 174.900 0.093 0.000 1.158 213 G CA 1.073 46.365 45.100 0.320 0.000 0.771 213 G HN 0.661 nan 8.290 nan 0.000 0.545 214 H N 0.909 120.076 119.070 0.160 0.000 2.321 214 H HA -0.059 4.496 4.556 -0.000 0.000 0.300 214 H C 2.252 177.563 175.328 -0.029 0.000 1.087 214 H CA 1.599 57.686 56.048 0.065 0.000 1.319 214 H CB -0.064 29.734 29.762 0.059 0.000 1.379 214 H HN 0.259 nan 8.280 nan 0.000 0.501 215 D N -0.407 120.012 120.400 0.033 0.000 2.183 215 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 215 D C 1.509 177.487 176.300 -0.537 0.000 0.969 215 D CA 1.177 54.984 54.000 -0.321 0.000 0.842 215 D CB 0.022 40.519 40.800 -0.506 0.000 0.957 215 D HN 0.587 nan 8.370 nan 0.000 0.484 216 H N -1.720 117.399 119.070 0.081 0.000 3.535 216 H HA 0.410 4.966 4.556 -0.000 0.000 0.260 216 H C 1.026 176.364 175.328 0.016 0.000 1.173 216 H CA 0.562 56.639 56.048 0.048 0.000 1.168 216 H CB 1.390 31.192 29.762 0.066 0.000 1.568 216 H HN 0.095 nan 8.280 nan 0.000 0.602 217 G N 2.460 111.310 108.800 0.083 0.000 2.690 217 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 217 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 217 G C -2.030 172.795 174.900 -0.125 0.000 1.277 217 G CA -0.335 44.750 45.100 -0.024 0.000 0.799 217 G HN -0.015 nan 8.290 nan 0.000 0.613 218 P HA 0.030 nan 4.420 nan 0.000 0.226 218 P C 0.907 177.924 177.300 -0.471 0.000 1.153 218 P CA 1.128 63.748 63.100 -0.800 0.000 0.777 218 P CB 0.296 31.613 31.700 -0.639 0.000 0.794 219 E N 0.167 120.249 120.200 -0.196 0.000 2.479 219 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 219 E C 0.931 177.523 176.600 -0.014 0.000 1.049 219 E CA 0.147 56.496 56.400 -0.084 0.000 0.870 219 E CB -0.039 29.622 29.700 -0.064 0.000 0.944 219 E HN 0.331 nan 8.360 nan 0.000 0.492 220 S N 0.522 116.233 115.700 0.018 0.000 2.603 220 S HA 0.206 4.676 4.470 -0.000 0.000 0.268 220 S C 1.135 175.778 174.600 0.072 0.000 1.317 220 S CA -0.609 57.624 58.200 0.056 0.000 1.012 220 S CB 2.237 65.499 63.200 0.105 0.000 0.926 220 S HN -0.020 nan 8.310 nan 0.000 0.539 221 R N 1.138 121.652 120.500 0.023 0.000 2.105 221 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 221 R C 2.112 178.418 176.300 0.009 0.000 1.135 221 R CA 2.016 58.121 56.100 0.009 0.000 0.967 221 R CB -1.049 29.236 30.300 -0.024 0.000 0.861 221 R HN 0.820 nan 8.270 nan 0.000 0.442 222 Q N -1.238 118.547 119.800 -0.025 0.000 2.084 222 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 222 Q C 1.801 177.857 176.000 0.093 0.000 0.978 222 Q CA 1.992 57.776 55.803 -0.031 0.000 0.844 222 Q CB -0.486 28.124 28.738 -0.213 0.000 0.898 222 Q HN 0.498 nan 8.270 nan 0.000 0.426 223 Y N 0.435 120.754 120.300 0.032 0.000 2.145 223 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 223 Y C 2.167 178.075 175.900 0.014 0.000 1.145 223 Y CA 1.480 59.606 58.100 0.043 0.000 1.148 223 Y CB -0.387 38.100 38.460 0.045 0.000 0.981 223 Y HN 0.117 nan 8.280 nan 0.000 0.507 224 A N -0.023 122.910 122.820 0.187 0.000 1.933 224 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 224 A C 1.864 179.436 177.584 -0.019 0.000 1.175 224 A CA 2.029 54.114 52.037 0.080 0.000 0.628 224 A CB -0.801 18.250 19.000 0.085 0.000 0.814 224 A HN 0.532 nan 8.150 nan 0.000 0.444 225 D N -0.037 120.352 120.400 -0.017 0.000 2.144 225 D HA -0.007 4.633 4.640 -0.000 0.000 0.200 225 D C 2.201 178.456 176.300 -0.076 0.000 0.978 225 D CA 1.381 55.356 54.000 -0.043 0.000 0.833 225 D CB -0.352 40.430 40.800 -0.030 0.000 0.961 225 D HN 0.426 nan 8.370 nan 0.000 0.470 226 A N 0.472 123.239 122.820 -0.088 0.000 1.898 226 A HA -0.115 4.204 4.320 -0.000 0.000 0.216 226 A C 2.501 179.965 177.584 -0.201 0.000 1.181 226 A CA 1.064 53.031 52.037 -0.117 0.000 0.620 226 A CB -0.712 18.235 19.000 -0.088 0.000 0.819 226 A HN 0.130 nan 8.150 nan 0.000 0.442 227 V N 0.262 120.027 119.914 -0.249 0.000 2.287 227 V HA -0.310 3.810 4.120 -0.000 0.000 0.248 227 V C 2.656 178.638 176.094 -0.188 0.000 1.053 227 V CA 2.361 64.516 62.300 -0.242 0.000 1.027 227 V CB -0.863 30.838 31.823 -0.205 0.000 0.646 227 V HN 0.531 nan 8.190 nan 0.000 0.447 228 R N 0.016 120.433 120.500 -0.138 0.000 2.081 228 R HA -0.127 4.213 4.340 -0.000 0.000 0.235 228 R C 2.423 178.632 176.300 -0.151 0.000 1.131 228 R CA 1.494 57.523 56.100 -0.119 0.000 0.960 228 R CB -0.595 29.657 30.300 -0.081 0.000 0.856 228 R HN 0.553 nan 8.270 nan 0.000 0.436 229 A N 0.626 123.345 122.820 -0.169 0.000 1.898 229 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 229 A C 2.352 179.763 177.584 -0.289 0.000 1.181 229 A CA 1.184 53.105 52.037 -0.194 0.000 0.620 229 A CB -0.402 18.489 19.000 -0.182 0.000 0.819 229 A HN 0.106 nan 8.150 nan 0.000 0.442 230 V N 0.439 120.121 119.914 -0.386 0.000 2.358 230 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 230 V C 2.292 178.070 176.094 -0.526 0.000 1.047 230 V CA 2.444 64.359 62.300 -0.642 0.000 1.035 230 V CB -0.800 30.583 31.823 -0.733 0.000 0.658 230 V HN 0.771 nan 8.190 nan 0.000 0.452 231 D N 0.290 120.490 120.400 -0.333 0.000 2.123 231 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 231 D C 2.104 178.296 176.300 -0.180 0.000 0.992 231 D CA 1.537 55.401 54.000 -0.226 0.000 0.833 231 D CB -0.137 40.572 40.800 -0.152 0.000 0.954 231 D HN 0.378 nan 8.370 nan 0.000 0.455 232 A N 0.391 123.110 122.820 -0.168 0.000 1.933 232 A HA 0.037 4.357 4.320 -0.000 0.000 0.218 232 A C 2.374 179.885 177.584 -0.122 0.000 1.175 232 A CA 1.998 53.960 52.037 -0.125 0.000 0.628 232 A CB -1.075 17.860 19.000 -0.109 0.000 0.814 232 A HN 0.352 nan 8.150 nan 0.000 0.444 233 A N -0.008 122.714 122.820 -0.162 0.000 1.902 233 A HA -0.092 4.227 4.320 -0.000 0.000 0.217 233 A C 2.102 179.648 177.584 -0.062 0.000 1.181 233 A CA 1.538 53.511 52.037 -0.107 0.000 0.623 233 A CB -0.608 18.333 19.000 -0.099 0.000 0.818 233 A HN 0.502 nan 8.150 nan 0.000 0.443 234 I N -0.291 120.209 120.570 -0.116 0.000 2.286 234 I HA -0.200 3.969 4.170 -0.000 0.000 0.248 234 I C 2.683 178.781 176.117 -0.032 0.000 1.115 234 I CA 1.047 62.321 61.300 -0.042 0.000 1.392 234 I CB -0.595 37.358 38.000 -0.078 0.000 1.065 234 I HN 0.400 nan 8.210 nan 0.000 0.418 235 G N 0.760 109.527 108.800 -0.056 0.000 2.440 235 G HA2 -0.233 3.726 3.960 -0.000 0.000 0.218 235 G HA3 -0.233 3.726 3.960 -0.000 0.000 0.218 235 G C 1.816 176.694 174.900 -0.036 0.000 1.154 235 G CA 0.475 45.550 45.100 -0.042 0.000 0.767 235 G HN 0.302 nan 8.290 nan 0.000 0.552 236 R N -0.631 119.844 120.500 -0.042 0.000 2.092 236 R HA 0.018 4.358 4.340 -0.000 0.000 0.231 236 R C 2.456 178.738 176.300 -0.030 0.000 1.119 236 R CA 0.991 57.068 56.100 -0.039 0.000 0.970 236 R CB -0.505 29.768 30.300 -0.045 0.000 0.864 236 R HN 0.383 nan 8.270 nan 0.000 0.440 237 L N 1.354 122.565 121.223 -0.019 0.000 2.017 237 L HA -0.152 4.187 4.340 -0.000 0.000 0.208 237 L C 1.969 178.836 176.870 -0.005 0.000 1.073 237 L CA 1.676 56.509 54.840 -0.011 0.000 0.745 237 L CB -0.517 41.551 42.059 0.016 0.000 0.894 237 L HN 0.111 nan 8.230 nan 0.000 0.432 238 L N -0.512 120.711 121.223 -0.000 0.000 2.012 238 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 238 L C 2.695 179.563 176.870 -0.003 0.000 1.073 238 L CA 1.349 56.191 54.840 0.004 0.000 0.748 238 L CB -1.054 41.011 42.059 0.010 0.000 0.891 238 L HN 0.408 nan 8.230 nan 0.000 0.431 239 A N 0.294 123.107 122.820 -0.013 0.000 1.902 239 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 239 A C 2.414 179.988 177.584 -0.016 0.000 1.181 239 A CA 1.733 53.759 52.037 -0.018 0.000 0.623 239 A CB -1.263 17.721 19.000 -0.027 0.000 0.818 239 A HN 0.451 nan 8.150 nan 0.000 0.443 240 G N -0.617 108.172 108.800 -0.019 0.000 2.418 240 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.217 240 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.217 240 G C 1.636 176.528 174.900 -0.012 0.000 1.158 240 G CA 1.213 46.300 45.100 -0.021 0.000 0.771 240 G HN 0.467 nan 8.290 nan 0.000 0.545 241 M N -0.180 119.416 119.600 -0.006 0.000 2.149 241 M HA -0.098 4.382 4.480 -0.000 0.000 0.261 241 M C 2.590 178.891 176.300 0.002 0.000 1.064 241 M CA 1.659 56.961 55.300 0.003 0.000 1.102 241 M CB -0.157 32.449 32.600 0.010 0.000 1.369 241 M HN 0.275 nan 8.290 nan 0.000 0.408 242 Q N 0.798 120.597 119.800 -0.001 0.000 2.046 242 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 242 Q C 1.848 177.846 176.000 -0.002 0.000 0.975 242 Q CA 1.817 57.618 55.803 -0.002 0.000 0.836 242 Q CB -0.080 28.656 28.738 -0.003 0.000 0.896 242 Q HN 0.383 nan 8.270 nan 0.000 0.428 243 R N 0.015 120.512 120.500 -0.006 0.000 2.115 243 R HA -0.082 4.258 4.340 -0.000 0.000 0.230 243 R C 1.265 177.563 176.300 -0.003 0.000 1.111 243 R CA 1.255 57.351 56.100 -0.006 0.000 0.976 243 R CB -0.079 30.215 30.300 -0.011 0.000 0.870 243 R HN 0.349 nan 8.270 nan 0.000 0.445 244 D N -0.737 119.662 120.400 -0.001 0.000 2.347 244 D HA 0.016 4.656 4.640 -0.000 0.000 0.215 244 D C 1.195 177.501 176.300 0.010 0.000 0.976 244 D CA 1.109 55.111 54.000 0.004 0.000 0.884 244 D CB 0.234 41.038 40.800 0.006 0.000 0.915 244 D HN 0.435 nan 8.370 nan 0.000 0.526 245 G N 0.541 109.346 108.800 0.009 0.000 2.143 245 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.249 245 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.249 245 G C 1.168 176.079 174.900 0.018 0.000 0.981 245 G CA 1.111 46.218 45.100 0.012 0.000 0.665 245 G HN 0.435 nan 8.290 nan 0.000 0.528 246 T N -2.550 112.015 114.554 0.019 0.000 3.037 246 T HA 0.238 4.588 4.350 -0.000 0.000 0.251 246 T C 1.974 176.682 174.700 0.014 0.000 1.079 246 T CA 1.103 63.218 62.100 0.026 0.000 1.067 246 T CB 0.235 69.125 68.868 0.037 0.000 0.948 246 T HN 0.351 nan 8.240 nan 0.000 0.496 247 R N 2.558 123.062 120.500 0.005 0.000 2.083 247 R HA 0.182 4.521 4.340 -0.000 0.000 0.237 247 R C 2.435 178.718 176.300 -0.029 0.000 1.137 247 R CA 1.866 57.962 56.100 -0.005 0.000 0.951 247 R CB -1.196 29.102 30.300 -0.003 0.000 0.851 247 R HN 0.435 nan 8.270 nan 0.000 0.434 248 A N 0.454 123.256 122.820 -0.031 0.000 2.121 248 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 248 A C 1.443 178.952 177.584 -0.125 0.000 1.154 248 A CA 1.370 53.371 52.037 -0.059 0.000 0.679 248 A CB -0.310 18.671 19.000 -0.032 0.000 0.795 248 A HN 0.471 nan 8.150 nan 0.000 0.458 249 R N -1.121 119.323 120.500 -0.093 0.000 2.546 249 R HA 0.267 4.606 4.340 -0.000 0.000 0.320 249 R C -0.727 175.519 176.300 -0.091 0.000 1.021 249 R CA 0.162 56.184 56.100 -0.129 0.000 1.088 249 R CB -1.313 29.045 30.300 0.097 0.000 1.278 249 R HN 0.023 nan 8.270 nan 0.000 0.557 250 T N 1.017 115.519 114.554 -0.085 0.000 2.809 250 T HA 0.390 4.740 4.350 -0.000 0.000 0.284 250 T C -0.820 173.854 174.700 -0.045 0.000 0.992 250 T CA -0.778 61.309 62.100 -0.020 0.000 0.957 250 T CB 1.114 69.993 68.868 0.017 0.000 0.942 250 T HN 0.132 nan 8.240 nan 0.000 0.439 251 N N 2.839 121.529 118.700 -0.017 0.000 2.530 251 N HA 0.419 5.159 4.740 -0.000 0.000 0.273 251 N C -0.527 174.987 175.510 0.007 0.000 1.173 251 N CA -0.133 52.910 53.050 -0.012 0.000 0.967 251 N CB 1.128 39.622 38.487 0.013 0.000 1.109 251 N HN 0.542 nan 8.380 nan 0.000 0.453 252 I N 2.264 122.831 120.570 -0.006 0.000 2.498 252 I HA 0.432 4.601 4.170 -0.000 0.000 0.290 252 I C -0.284 175.817 176.117 -0.027 0.000 1.032 252 I CA -0.579 60.722 61.300 0.003 0.000 1.073 252 I CB 1.740 39.740 38.000 -0.000 0.000 1.251 252 I HN 0.203 nan 8.210 nan 0.000 0.426 253 I N 6.264 126.832 120.570 -0.004 0.000 2.436 253 I HA 0.432 4.602 4.170 -0.000 0.000 0.289 253 I C -0.767 175.353 176.117 0.005 0.000 1.010 253 I CA -0.881 60.386 61.300 -0.054 0.000 1.098 253 I CB 2.238 40.257 38.000 0.030 0.000 1.266 253 I HN 0.176 nan 8.210 nan 0.000 0.434 254 V N 7.046 126.918 119.914 -0.069 0.000 2.448 254 V HA 0.564 4.684 4.120 -0.000 0.000 0.295 254 V C -0.060 176.055 176.094 0.036 0.000 1.025 254 V CA -0.607 61.708 62.300 0.025 0.000 0.859 254 V CB 1.754 33.577 31.823 -0.000 0.000 0.988 254 V HN 0.536 nan 8.190 nan 0.000 0.431 255 V N 1.904 121.912 119.914 0.156 0.000 3.141 255 V HA 1.005 5.125 4.120 -0.000 0.000 0.312 255 V C -0.168 175.998 176.094 0.120 0.000 1.157 255 V CA -0.633 61.779 62.300 0.187 0.000 1.041 255 V CB 2.061 34.062 31.823 0.297 0.000 1.071 255 V HN 0.886 nan 8.190 nan 0.000 0.441 256 S N -0.415 115.321 115.700 0.060 0.000 2.671 256 S HA 0.566 5.036 4.470 -0.000 0.000 0.299 256 S C 0.152 174.668 174.600 -0.139 0.000 1.116 256 S CA 0.062 58.227 58.200 -0.059 0.000 0.912 256 S CB 1.859 65.009 63.200 -0.084 0.000 1.130 256 S HN 0.979 nan 8.310 nan 0.000 0.501 257 D N -0.504 119.697 120.400 -0.332 0.000 2.271 257 D HA 0.119 4.758 4.640 -0.000 0.000 0.206 257 D C 0.481 176.677 176.300 -0.174 0.000 0.967 257 D CA 1.271 55.077 54.000 -0.324 0.000 0.867 257 D CB -0.571 39.987 40.800 -0.404 0.000 0.960 257 D HN 0.897 nan 8.370 nan 0.000 0.509 258 H N -4.049 114.969 119.070 -0.086 0.000 2.921 258 H HA 0.582 5.138 4.556 -0.000 0.000 0.287 258 H C 0.142 175.420 175.328 -0.083 0.000 1.434 258 H CA -0.894 55.099 56.048 -0.091 0.000 1.178 258 H CB 0.769 30.436 29.762 -0.157 0.000 1.836 258 H HN 0.006 nan 8.280 nan 0.000 0.495 259 G N -0.442 108.453 108.800 0.158 0.000 2.714 259 G HA2 0.524 4.484 3.960 -0.000 0.000 0.197 259 G HA3 0.524 4.484 3.960 -0.000 0.000 0.197 259 G C -0.794 174.227 174.900 0.201 0.000 1.449 259 G CA -0.358 44.825 45.100 0.138 0.000 1.065 259 G HN 0.785 nan 8.290 nan 0.000 0.575 260 M N -0.997 118.676 119.600 0.121 0.000 2.333 260 M HA 0.637 5.117 4.480 -0.000 0.000 0.286 260 M C -1.066 175.252 176.300 0.031 0.000 1.113 260 M CA -0.378 54.974 55.300 0.086 0.000 0.959 260 M CB 1.840 34.445 32.600 0.007 0.000 1.776 260 M HN 0.931 nan 8.290 nan 0.000 0.492 261 A N 3.160 126.037 122.820 0.095 0.000 2.356 261 A HA 0.807 5.127 4.320 -0.000 0.000 0.323 261 A C -0.886 176.708 177.584 0.018 0.000 1.119 261 A CA -0.673 51.400 52.037 0.060 0.000 0.790 261 A CB 1.072 20.145 19.000 0.122 0.000 1.273 261 A HN 0.798 nan 8.150 nan 0.000 0.452 262 E N 0.237 120.412 120.200 -0.041 0.000 2.360 262 E HA 0.355 4.705 4.350 -0.000 0.000 0.269 262 E C -1.056 175.497 176.600 -0.078 0.000 1.022 262 E CA -0.015 56.343 56.400 -0.070 0.000 0.887 262 E CB 1.144 30.787 29.700 -0.094 0.000 0.990 262 E HN 0.306 nan 8.360 nan 0.000 0.426 263 V N 3.356 123.210 119.914 -0.100 0.000 2.304 263 V HA 0.289 4.408 4.120 -0.000 0.000 0.278 263 V C 0.270 176.178 176.094 -0.311 0.000 1.018 263 V CA -0.631 61.572 62.300 -0.161 0.000 0.814 263 V CB 1.018 32.807 31.823 -0.057 0.000 1.021 263 V HN 0.769 nan 8.190 nan 0.000 0.440 264 A N 7.568 130.023 122.820 -0.608 0.000 2.406 264 A HA 0.624 4.944 4.320 -0.000 0.000 0.243 264 A C -2.329 174.889 177.584 -0.609 0.000 1.082 264 A CA -1.060 50.564 52.037 -0.688 0.000 0.786 264 A CB -0.196 18.210 19.000 -0.990 0.000 1.029 264 A HN 0.623 nan 8.150 nan 0.000 0.495 265 P HA 0.250 nan 4.420 nan 0.000 0.265 265 P C 0.883 178.059 177.300 -0.206 0.000 1.193 265 P CA 1.867 64.831 63.100 -0.227 0.000 0.765 265 P CB 0.503 32.119 31.700 -0.139 0.000 0.823 266 G N 1.926 110.658 108.800 -0.113 0.000 2.159 266 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.256 266 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.256 266 G C 0.402 175.258 174.900 -0.073 0.000 0.977 266 G CA -0.109 44.973 45.100 -0.030 0.000 0.652 266 G HN 0.609 nan 8.290 nan 0.000 0.531 267 H N 0.432 119.182 119.070 -0.533 0.000 2.605 267 H HA 0.661 5.217 4.556 -0.000 0.000 0.308 267 H C 0.959 176.051 175.328 -0.393 0.000 1.080 267 H CA 0.274 55.646 56.048 -1.127 0.000 1.119 267 H CB 0.186 29.142 29.762 -1.344 0.000 1.479 267 H HN 0.761 nan 8.280 nan 0.000 0.537 268 A N 1.124 123.955 122.820 0.019 0.000 2.343 268 A HA 0.631 4.951 4.320 -0.000 0.000 0.316 268 A C 0.087 177.778 177.584 0.179 0.000 1.104 268 A CA -0.768 51.340 52.037 0.118 0.000 0.768 268 A CB 0.782 19.806 19.000 0.040 0.000 1.213 268 A HN 0.401 nan 8.150 nan 0.000 0.456 269 I N -0.464 120.220 120.570 0.189 0.000 3.133 269 I HA 0.798 4.968 4.170 -0.000 0.000 0.311 269 I C 0.130 176.278 176.117 0.051 0.000 1.072 269 I CA -0.818 60.561 61.300 0.133 0.000 1.015 269 I CB 1.954 40.039 38.000 0.142 0.000 1.233 269 I HN 0.458 nan 8.210 nan 0.000 0.473 270 S N 0.800 116.519 115.700 0.032 0.000 2.554 270 S HA 0.285 4.755 4.470 -0.000 0.000 0.278 270 S C 1.068 175.656 174.600 -0.019 0.000 1.242 270 S CA -0.409 57.796 58.200 0.008 0.000 1.051 270 S CB 1.455 64.672 63.200 0.029 0.000 0.986 270 S HN 0.712 nan 8.310 nan 0.000 0.502 271 V N 2.808 122.697 119.914 -0.042 0.000 2.568 271 V HA -0.087 4.033 4.120 -0.000 0.000 0.253 271 V C 1.675 177.844 176.094 0.125 0.000 1.072 271 V CA 1.926 64.224 62.300 -0.004 0.000 1.084 271 V CB -1.070 30.678 31.823 -0.126 0.000 0.676 271 V HN 0.913 nan 8.190 nan 0.000 0.469 272 E N 0.278 120.530 120.200 0.088 0.000 2.427 272 E HA -0.109 4.241 4.350 -0.000 0.000 0.196 272 E C 1.560 178.171 176.600 0.017 0.000 1.028 272 E CA 0.827 57.274 56.400 0.078 0.000 0.864 272 E CB -0.142 29.602 29.700 0.073 0.000 0.813 272 E HN 0.661 nan 8.360 nan 0.000 0.514 273 D N 0.554 120.955 120.400 0.001 0.000 2.269 273 D HA -0.077 4.563 4.640 -0.000 0.000 0.208 273 D C 1.796 178.055 176.300 -0.067 0.000 0.963 273 D CA 0.735 54.725 54.000 -0.017 0.000 0.864 273 D CB 0.124 40.928 40.800 0.006 0.000 0.936 273 D HN 0.274 nan 8.370 nan 0.000 0.505 274 I N 0.302 120.795 120.570 -0.128 0.000 2.339 274 I HA 0.003 4.173 4.170 -0.000 0.000 0.245 274 I C 0.938 176.849 176.117 -0.344 0.000 1.096 274 I CA 0.437 61.578 61.300 -0.265 0.000 1.408 274 I CB 0.099 37.891 38.000 -0.347 0.000 1.092 274 I HN -0.130 nan 8.210 nan 0.000 0.423 275 A N 1.190 123.798 122.820 -0.354 0.000 2.459 275 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 275 A C -2.686 174.827 177.584 -0.117 0.000 1.039 275 A CA -1.259 50.571 52.037 -0.344 0.000 0.698 275 A CB 0.808 19.391 19.000 -0.695 0.000 1.261 275 A HN -0.150 nan 8.150 nan 0.000 0.405 276 P HA 0.227 nan 4.420 nan 0.000 0.272 276 P C -2.086 175.226 177.300 0.022 0.000 1.223 276 P CA -1.200 61.894 63.100 -0.010 0.000 0.784 276 P CB 0.481 32.171 31.700 -0.016 0.000 0.923 277 P HA -0.130 nan 4.420 nan 0.000 0.225 277 P C 1.107 178.432 177.300 0.043 0.000 1.148 277 P CA 1.424 64.562 63.100 0.064 0.000 0.779 277 P CB 0.100 31.833 31.700 0.055 0.000 0.780 278 Q N -0.146 119.669 119.800 0.024 0.000 2.230 278 Q HA -0.032 4.308 4.340 -0.000 0.000 0.202 278 Q C 2.199 178.209 176.000 0.015 0.000 0.963 278 Q CA 1.126 56.938 55.803 0.017 0.000 0.866 278 Q CB -0.648 28.095 28.738 0.008 0.000 0.931 278 Q HN 0.453 nan 8.270 nan 0.000 0.452 279 I N -5.234 115.341 120.570 0.009 0.000 3.939 279 I HA 0.522 4.692 4.170 -0.000 0.000 0.313 279 I C 0.412 176.541 176.117 0.020 0.000 1.274 279 I CA -0.282 61.019 61.300 0.003 0.000 1.301 279 I CB 0.661 38.647 38.000 -0.023 0.000 1.105 279 I HN -0.069 nan 8.210 nan 0.000 0.427 280 A N 0.669 123.517 122.820 0.047 0.000 2.589 280 A HA 0.676 4.996 4.320 -0.000 0.000 0.296 280 A C -0.622 177.097 177.584 0.224 0.000 1.062 280 A CA -0.387 51.724 52.037 0.123 0.000 0.686 280 A CB 1.062 20.119 19.000 0.094 0.000 1.282 280 A HN 0.104 nan 8.150 nan 0.000 0.404 281 T N 2.091 116.780 114.554 0.225 0.000 2.771 281 T HA 0.559 4.909 4.350 -0.000 0.000 0.291 281 T C 0.445 175.256 174.700 0.186 0.000 0.954 281 T CA 0.433 62.644 62.100 0.184 0.000 1.045 281 T CB 1.185 70.112 68.868 0.100 0.000 0.917 281 T HN 1.329 nan 8.240 nan 0.000 0.484 282 A N 4.295 127.177 122.820 0.104 0.000 2.395 282 A HA 0.350 4.670 4.320 -0.000 0.000 0.286 282 A C 1.272 178.835 177.584 -0.035 0.000 1.193 282 A CA -0.476 51.405 52.037 -0.260 0.000 0.852 282 A CB -0.313 18.546 19.000 -0.236 0.000 1.118 282 A HN 0.806 nan 8.150 nan 0.000 0.524 283 I N 1.914 122.399 120.570 -0.142 0.000 2.584 283 I HA -0.011 4.159 4.170 -0.000 0.000 0.255 283 I C 1.422 177.524 176.117 -0.025 0.000 1.145 283 I CA 1.703 62.977 61.300 -0.043 0.000 1.462 283 I CB -1.388 36.580 38.000 -0.054 0.000 1.102 283 I HN 0.714 nan 8.210 nan 0.000 0.433 284 T N -0.743 113.690 114.554 -0.202 0.000 2.896 284 T HA 0.565 4.914 4.350 -0.000 0.000 0.297 284 T C -0.648 173.721 174.700 -0.551 0.000 1.108 284 T CA -0.862 61.054 62.100 -0.307 0.000 1.004 284 T CB 3.111 71.591 68.868 -0.646 0.000 1.159 284 T HN 0.132 nan 8.240 nan 0.000 0.499 285 D N -0.734 119.250 120.400 -0.693 0.000 2.689 285 D HA 0.798 5.438 4.640 -0.000 0.000 0.255 285 D C 1.042 177.120 176.300 -0.370 0.000 1.113 285 D CA 0.138 53.680 54.000 -0.764 0.000 1.115 285 D CB 0.944 40.952 40.800 -1.320 0.000 1.334 285 D HN 1.264 nan 8.370 nan 0.000 0.621 286 G N 0.068 108.686 108.800 -0.303 0.000 3.299 286 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.251 286 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.251 286 G C 0.511 175.318 174.900 -0.156 0.000 1.741 286 G CA 0.696 45.674 45.100 -0.203 0.000 1.151 286 G HN 0.598 nan 8.290 nan 0.000 0.561 287 Q N -0.872 118.819 119.800 -0.182 0.000 2.384 287 Q HA 0.509 4.849 4.340 -0.000 0.000 0.264 287 Q C 0.486 176.441 176.000 -0.075 0.000 0.825 287 Q CA 0.754 56.468 55.803 -0.149 0.000 0.984 287 Q CB 1.692 30.161 28.738 -0.448 0.000 1.183 287 Q HN 0.620 nan 8.270 nan 0.000 0.537 288 V N 2.831 122.693 119.914 -0.088 0.000 2.313 288 V HA 0.339 4.459 4.120 -0.000 0.000 0.278 288 V C -0.894 175.236 176.094 0.060 0.000 1.017 288 V CA -0.517 61.791 62.300 0.014 0.000 0.823 288 V CB 1.107 32.873 31.823 -0.095 0.000 1.010 288 V HN 0.189 nan 8.190 nan 0.000 0.443 289 I N 4.529 125.110 120.570 0.020 0.000 2.328 289 I HA 0.484 4.654 4.170 -0.000 0.000 0.287 289 I C 0.845 176.881 176.117 -0.135 0.000 1.012 289 I CA -0.158 61.047 61.300 -0.158 0.000 1.195 289 I CB 1.185 39.073 38.000 -0.187 0.000 1.350 289 I HN 0.596 nan 8.210 nan 0.000 0.464 290 G N 5.970 114.626 108.800 -0.240 0.000 2.332 290 G HA2 0.611 4.571 3.960 -0.000 0.000 0.310 290 G HA3 0.611 4.571 3.960 -0.000 0.000 0.310 290 G C -1.228 173.485 174.900 -0.312 0.000 1.123 290 G CA -0.184 44.848 45.100 -0.113 0.000 0.873 290 G HN 0.304 nan 8.290 nan 0.000 0.460 291 F N 0.227 120.214 119.950 0.062 0.000 2.520 291 F HA 0.470 4.997 4.527 -0.000 0.000 0.322 291 F C 0.127 175.961 175.800 0.058 0.000 1.103 291 F CA -0.902 57.127 58.000 0.049 0.000 0.926 291 F CB 2.952 41.974 39.000 0.037 0.000 1.154 291 F HN 0.349 nan 8.300 nan 0.000 0.453 292 E N 4.808 125.152 120.200 0.241 0.000 2.145 292 E HA 0.435 4.785 4.350 -0.000 0.000 0.262 292 E C -2.722 173.967 176.600 0.147 0.000 0.883 292 E CA -2.871 53.626 56.400 0.161 0.000 0.748 292 E CB 1.228 30.994 29.700 0.109 0.000 1.140 292 E HN 0.073 nan 8.360 nan 0.000 0.417 293 P HA -0.041 nan 4.420 nan 0.000 0.266 293 P C -0.561 176.778 177.300 0.066 0.000 1.195 293 P CA -0.215 62.933 63.100 0.080 0.000 0.768 293 P CB 0.449 32.183 31.700 0.058 0.000 0.838 294 L N 6.133 127.388 121.223 0.054 0.000 2.473 294 L HA 0.203 4.543 4.340 -0.000 0.000 0.268 294 L C -1.811 175.079 176.870 0.034 0.000 1.215 294 L CA -1.101 53.765 54.840 0.043 0.000 0.823 294 L CB -1.002 41.078 42.059 0.035 0.000 1.099 294 L HN 0.339 nan 8.230 nan 0.000 0.483 295 P HA 0.102 nan 4.420 nan 0.000 0.261 295 P C 0.622 177.934 177.300 0.020 0.000 1.183 295 P CA 1.054 64.168 63.100 0.024 0.000 0.761 295 P CB 0.365 32.078 31.700 0.021 0.000 0.785 296 G N 2.804 111.615 108.800 0.018 0.000 2.162 296 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.260 296 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.260 296 G C 0.698 175.605 174.900 0.013 0.000 0.976 296 G CA -0.142 44.966 45.100 0.014 0.000 0.655 296 G HN 0.534 nan 8.290 nan 0.000 0.533 297 Q N -0.777 119.033 119.800 0.016 0.000 2.194 297 Q HA 0.239 4.579 4.340 -0.000 0.000 0.214 297 Q C 1.941 177.949 176.000 0.012 0.000 0.838 297 Q CA 0.647 56.457 55.803 0.012 0.000 0.972 297 Q CB 0.632 29.377 28.738 0.013 0.000 1.131 297 Q HN 0.631 nan 8.270 nan 0.000 0.498 298 Q N 1.578 121.389 119.800 0.019 0.000 2.077 298 Q HA -0.145 4.194 4.340 -0.000 0.000 0.206 298 Q C 1.854 177.862 176.000 0.014 0.000 0.989 298 Q CA 2.290 58.107 55.803 0.022 0.000 0.853 298 Q CB -0.167 28.587 28.738 0.027 0.000 0.907 298 Q HN 0.379 nan 8.270 nan 0.000 0.418 299 A N 0.082 122.908 122.820 0.009 0.000 1.877 299 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 299 A C 2.291 179.872 177.584 -0.004 0.000 1.186 299 A CA 1.879 53.919 52.037 0.004 0.000 0.620 299 A CB -1.239 17.764 19.000 0.003 0.000 0.822 299 A HN 0.536 nan 8.150 nan 0.000 0.443 300 A N -0.121 122.696 122.820 -0.007 0.000 1.902 300 A HA 0.145 4.464 4.320 -0.000 0.000 0.217 300 A C 2.521 180.087 177.584 -0.029 0.000 1.181 300 A CA 2.206 54.234 52.037 -0.016 0.000 0.623 300 A CB -1.058 17.933 19.000 -0.014 0.000 0.818 300 A HN 1.059 nan 8.150 nan 0.000 0.443 301 A N -0.266 122.537 122.820 -0.029 0.000 1.877 301 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 301 A C 1.943 179.497 177.584 -0.051 0.000 1.186 301 A CA 1.672 53.675 52.037 -0.056 0.000 0.620 301 A CB -0.568 18.411 19.000 -0.034 0.000 0.822 301 A HN 0.634 nan 8.150 nan 0.000 0.443 302 E N -0.311 119.880 120.200 -0.015 0.000 2.077 302 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 302 E C 2.334 178.929 176.600 -0.007 0.000 0.989 302 E CA 0.898 57.298 56.400 -0.001 0.000 0.800 302 E CB -0.303 29.406 29.700 0.015 0.000 0.746 302 E HN 0.614 nan 8.360 nan 0.000 0.452 303 A N 0.914 123.726 122.820 -0.013 0.000 1.908 303 A HA -0.227 4.092 4.320 -0.000 0.000 0.218 303 A C 2.263 179.841 177.584 -0.010 0.000 1.181 303 A CA 1.939 53.968 52.037 -0.013 0.000 0.627 303 A CB -0.568 18.423 19.000 -0.015 0.000 0.818 303 A HN 0.230 nan 8.150 nan 0.000 0.445 304 S N -1.498 114.183 115.700 -0.031 0.000 2.387 304 S HA -0.034 4.436 4.470 -0.000 0.000 0.226 304 S C 1.710 176.286 174.600 -0.040 0.000 1.026 304 S CA 1.557 59.729 58.200 -0.047 0.000 0.972 304 S CB -0.144 62.994 63.200 -0.103 0.000 0.814 304 S HN 0.258 nan 8.310 nan 0.000 0.477 305 V N 1.163 121.048 119.914 -0.048 0.000 2.908 305 V HA 0.356 4.475 4.120 -0.000 0.000 0.240 305 V C 0.847 177.028 176.094 0.146 0.000 1.117 305 V CA 0.140 62.410 62.300 -0.050 0.000 1.133 305 V CB -0.239 31.480 31.823 -0.173 0.000 0.857 305 V HN 0.339 nan 8.190 nan 0.000 0.478 306 L N 0.943 122.207 121.223 0.069 0.000 2.485 306 L HA 0.472 4.812 4.340 -0.000 0.000 0.275 306 L C 0.965 177.798 176.870 -0.060 0.000 1.207 306 L CA 1.369 56.216 54.840 0.011 0.000 0.855 306 L CB -0.286 41.768 42.059 -0.009 0.000 1.114 306 L HN 0.483 nan 8.230 nan 0.000 0.485 307 G N 1.955 110.614 108.800 -0.236 0.000 2.472 307 G HA2 0.039 3.999 3.960 -0.000 0.000 0.205 307 G HA3 0.039 3.999 3.960 -0.000 0.000 0.205 307 G C -0.843 173.733 174.900 -0.539 0.000 1.270 307 G CA -0.339 44.531 45.100 -0.383 0.000 0.974 307 G HN 0.972 nan 8.290 nan 0.000 0.542 308 A N 0.254 122.709 122.820 -0.609 0.000 2.301 308 A HA 0.829 5.149 4.320 -0.000 0.000 0.312 308 A C 0.070 177.085 177.584 -0.950 0.000 1.182 308 A CA -0.105 51.581 52.037 -0.586 0.000 0.826 308 A CB 0.507 19.295 19.000 -0.354 0.000 1.134 308 A HN 0.955 nan 8.150 nan 0.000 0.501 309 H N 0.545 119.253 119.070 -0.604 0.000 2.949 309 H HA 0.234 4.790 4.556 -0.000 0.000 0.310 309 H C -0.160 174.717 175.328 -0.752 0.000 1.405 309 H CA -0.667 54.917 56.048 -0.773 0.000 1.253 309 H CB 1.088 30.029 29.762 -1.369 0.000 1.932 309 H HN 0.657 nan 8.280 nan 0.000 0.602 310 D N -0.027 120.025 120.400 -0.581 0.000 2.123 310 D HA -0.120 4.520 4.640 -0.000 0.000 0.196 310 D C 0.621 176.241 176.300 -1.133 0.000 0.992 310 D CA 1.693 55.250 54.000 -0.738 0.000 0.833 310 D CB 0.233 40.630 40.800 -0.672 0.000 0.954 310 D HN 0.435 nan 8.370 nan 0.000 0.455 311 H N -1.984 116.665 119.070 -0.702 0.000 2.904 311 H HA 0.173 4.728 4.556 -0.000 0.000 0.242 311 H C -0.727 174.028 175.328 -0.954 0.000 1.193 311 H CA -0.297 55.168 56.048 -0.972 0.000 0.946 311 H CB 0.026 28.886 29.762 -1.504 0.000 2.135 311 H HN 0.184 nan 8.280 nan 0.000 0.652 312 Y N -1.935 117.820 120.300 -0.908 0.000 2.713 312 Y HA 0.572 5.121 4.550 -0.000 0.000 0.335 312 Y C -1.743 174.042 175.900 -0.192 0.000 1.222 312 Y CA -1.289 56.526 58.100 -0.475 0.000 1.061 312 Y CB 1.133 39.507 38.460 -0.144 0.000 1.314 312 Y HN -0.226 nan 8.280 nan 0.000 0.453 313 D N 0.578 121.056 120.400 0.131 0.000 2.645 313 D HA 0.633 5.273 4.640 -0.000 0.000 0.228 313 D C -1.395 174.805 176.300 -0.167 0.000 1.148 313 D CA -0.166 53.738 54.000 -0.160 0.000 0.860 313 D CB 2.662 43.240 40.800 -0.370 0.000 1.548 313 D HN 0.750 nan 8.370 nan 0.000 0.460 314 c N 1.052 119.414 118.600 -0.397 0.000 2.712 314 c HA 0.639 5.209 4.570 -0.000 0.000 0.308 314 c C -0.711 173.179 174.090 -0.333 0.000 1.201 314 c CA -0.854 55.407 56.329 -0.114 0.000 1.554 314 c CB 1.828 44.425 42.510 0.146 0.000 2.117 314 c HN 0.550 nan 8.230 nan 0.000 0.480 315 W N 0.527 121.951 121.300 0.207 0.000 3.033 315 W HA 0.477 5.137 4.660 -0.001 0.000 0.336 315 W C -0.357 176.250 176.519 0.146 0.000 1.173 315 W CA -0.777 56.658 57.345 0.151 0.000 1.185 315 W CB 1.142 30.689 29.460 0.144 0.000 1.425 315 W HN 0.555 nan 8.180 nan 0.000 0.536 316 R N 1.589 122.292 120.500 0.338 0.000 2.623 316 R HA -0.031 4.309 4.340 -0.000 0.000 0.271 316 R C 1.598 178.041 176.300 0.239 0.000 1.043 316 R CA 0.227 56.468 56.100 0.236 0.000 1.083 316 R CB 0.882 31.279 30.300 0.161 0.000 0.974 316 R HN 0.510 nan 8.270 nan 0.000 0.436 317 K N 1.699 122.211 120.400 0.187 0.000 2.152 317 K HA -0.158 4.162 4.320 -0.000 0.000 0.206 317 K C 1.590 178.242 176.600 0.086 0.000 1.048 317 K CA 1.776 58.153 56.287 0.151 0.000 0.933 317 K CB -0.097 32.466 32.500 0.105 0.000 0.721 317 K HN 0.557 nan 8.250 nan 0.000 0.447 318 A N 1.384 124.247 122.820 0.072 0.000 2.168 318 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 318 A C 1.155 178.760 177.584 0.036 0.000 1.152 318 A CA 0.979 53.041 52.037 0.040 0.000 0.716 318 A CB -0.203 18.819 19.000 0.037 0.000 0.794 318 A HN 0.513 nan 8.150 nan 0.000 0.465 319 E N -0.611 119.632 120.200 0.071 0.000 2.548 319 E HA 0.271 4.621 4.350 -0.000 0.000 0.206 319 E C -0.499 176.080 176.600 -0.035 0.000 1.005 319 E CA -0.455 55.985 56.400 0.066 0.000 0.951 319 E CB 0.253 30.045 29.700 0.154 0.000 1.035 319 E HN 0.505 nan 8.360 nan 0.000 0.470 320 L N 2.407 123.559 121.223 -0.119 0.000 2.483 320 L HA 0.081 4.420 4.340 -0.000 0.000 0.275 320 L C -1.973 174.549 176.870 -0.579 0.000 1.220 320 L CA -1.654 52.909 54.840 -0.462 0.000 0.833 320 L CB -0.166 41.795 42.059 -0.165 0.000 1.102 320 L HN -0.183 nan 8.230 nan 0.000 0.490 321 P HA -0.107 nan 4.420 nan 0.000 0.259 321 P C 0.061 177.041 177.300 -0.535 0.000 1.163 321 P CA 0.315 62.905 63.100 -0.849 0.000 0.760 321 P CB 0.706 31.522 31.700 -1.473 0.000 0.762 322 A N 5.825 128.448 122.820 -0.329 0.000 1.940 322 A HA -0.250 4.069 4.320 -0.000 0.000 0.219 322 A C 2.016 179.512 177.584 -0.147 0.000 1.176 322 A CA 1.626 53.554 52.037 -0.181 0.000 0.631 322 A CB -0.772 18.156 19.000 -0.120 0.000 0.814 322 A HN 0.665 nan 8.150 nan 0.000 0.446 323 R N -1.943 118.425 120.500 -0.221 0.000 2.193 323 R HA -0.156 4.184 4.340 -0.000 0.000 0.229 323 R C 1.321 177.646 176.300 0.041 0.000 1.110 323 R CA 1.304 57.336 56.100 -0.114 0.000 0.988 323 R CB -0.407 29.799 30.300 -0.157 0.000 0.871 323 R HN 0.615 nan 8.270 nan 0.000 0.458 324 W N 1.546 122.745 121.300 -0.168 0.000 2.905 324 W HA 0.132 4.792 4.660 -0.000 0.000 0.251 324 W C 0.284 176.749 176.519 -0.090 0.000 1.305 324 W CA -0.062 57.160 57.345 -0.204 0.000 1.465 324 W CB -0.453 28.632 29.460 -0.626 0.000 1.122 324 W HN 0.242 nan 8.180 nan 0.000 0.659 325 Q N -0.817 119.057 119.800 0.123 0.000 2.439 325 Q HA -0.276 4.064 4.340 -0.000 0.000 0.325 325 Q C -0.960 175.115 176.000 0.125 0.000 1.372 325 Q CA 0.820 56.669 55.803 0.076 0.000 0.909 325 Q CB -2.271 26.499 28.738 0.052 0.000 1.167 325 Q HN 0.397 nan 8.270 nan 0.000 0.418 326 Y N -1.825 118.454 120.300 -0.034 0.000 2.519 326 Y HA 0.531 5.081 4.550 -0.000 0.000 0.336 326 Y C 0.756 176.656 175.900 -0.001 0.000 1.089 326 Y CA 0.391 58.485 58.100 -0.010 0.000 1.025 326 Y CB 1.902 40.378 38.460 0.026 0.000 1.318 326 Y HN 0.128 nan 8.280 nan 0.000 0.452 327 G N 1.373 109.968 108.800 -0.342 0.000 2.273 327 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.162 327 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.162 327 G C 0.786 175.614 174.900 -0.121 0.000 1.006 327 G CA 0.421 45.392 45.100 -0.215 0.000 0.704 327 G HN 1.218 nan 8.290 nan 0.000 0.487 328 S N -0.572 115.070 115.700 -0.096 0.000 2.478 328 S HA 0.217 4.686 4.470 -0.000 0.000 0.222 328 S C 0.815 175.392 174.600 -0.038 0.000 1.008 328 S CA 0.772 58.950 58.200 -0.037 0.000 0.928 328 S CB -0.047 63.157 63.200 0.006 0.000 0.781 328 S HN 0.731 nan 8.310 nan 0.000 0.518 329 H N 3.582 122.578 119.070 -0.123 0.000 2.803 329 H HA 0.256 4.812 4.556 -0.000 0.000 0.330 329 H C -1.681 173.610 175.328 -0.063 0.000 1.057 329 H CA -1.243 54.758 56.048 -0.079 0.000 1.458 329 H CB 1.004 30.708 29.762 -0.097 0.000 1.470 329 H HN 0.013 nan 8.280 nan 0.000 0.560 330 P HA -0.172 nan 4.420 nan 0.000 0.217 330 P C 0.865 178.234 177.300 0.114 0.000 1.148 330 P CA 1.446 64.521 63.100 -0.042 0.000 0.828 330 P CB 0.215 31.841 31.700 -0.123 0.000 0.783 331 R N -0.894 119.807 120.500 0.334 0.000 2.280 331 R HA 0.077 4.416 4.340 -0.000 0.000 0.207 331 R C 0.909 177.295 176.300 0.143 0.000 1.043 331 R CA 0.168 56.408 56.100 0.233 0.000 1.006 331 R CB -0.563 29.879 30.300 0.237 0.000 0.885 331 R HN 0.265 nan 8.270 nan 0.000 0.467 332 I N 2.730 123.363 120.570 0.105 0.000 2.471 332 I HA 0.084 4.254 4.170 -0.000 0.000 0.286 332 I C -2.045 174.122 176.117 0.083 0.000 1.079 332 I CA -2.247 59.088 61.300 0.058 0.000 1.398 332 I CB 0.696 38.643 38.000 -0.089 0.000 1.403 332 I HN -0.250 nan 8.210 nan 0.000 0.530 333 P HA 0.037 nan 4.420 nan 0.000 0.269 333 P C 0.415 177.792 177.300 0.128 0.000 1.217 333 P CA 0.068 63.233 63.100 0.108 0.000 0.783 333 P CB 0.567 32.326 31.700 0.098 0.000 0.898 334 S N 0.212 115.987 115.700 0.126 0.000 2.383 334 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 334 S C 0.789 175.488 174.600 0.166 0.000 1.030 334 S CA 1.195 59.470 58.200 0.126 0.000 1.002 334 S CB -0.505 62.760 63.200 0.108 0.000 0.829 334 S HN 0.325 nan 8.310 nan 0.000 0.467 335 L N 1.349 122.700 121.223 0.212 0.000 2.346 335 L HA 0.592 4.932 4.340 -0.000 0.000 0.276 335 L C -1.108 175.961 176.870 0.332 0.000 1.006 335 L CA -0.648 54.352 54.840 0.267 0.000 0.817 335 L CB 2.024 44.233 42.059 0.251 0.000 1.272 335 L HN -0.126 nan 8.230 nan 0.000 0.421 336 V N 1.566 121.712 119.914 0.387 0.000 2.531 336 V HA 0.391 4.511 4.120 -0.000 0.000 0.301 336 V C -0.513 175.898 176.094 0.528 0.000 1.034 336 V CA -0.551 62.008 62.300 0.431 0.000 0.865 336 V CB 1.930 34.032 31.823 0.465 0.000 0.995 336 V HN 0.846 nan 8.190 nan 0.000 0.424 337 c N 3.863 122.730 118.600 0.445 0.000 2.355 337 c HA 0.693 5.262 4.570 -0.000 0.000 0.332 337 c C 0.049 174.403 174.090 0.439 0.000 1.255 337 c CA -0.634 55.962 56.329 0.445 0.000 1.792 337 c CB 1.178 43.877 42.510 0.314 0.000 2.300 337 c HN 0.866 nan 8.230 nan 0.000 0.515 338 Q N 3.053 123.202 119.800 0.583 0.000 2.348 338 Q HA 0.498 4.838 4.340 -0.000 0.000 0.265 338 Q C -0.495 175.793 176.000 0.480 0.000 0.998 338 Q CA -0.202 55.916 55.803 0.525 0.000 0.831 338 Q CB 0.649 29.828 28.738 0.736 0.000 1.251 338 Q HN 0.624 nan 8.270 nan 0.000 0.456 339 M N 2.978 122.802 119.600 0.372 0.000 2.245 339 M HA 0.138 4.618 4.480 -0.000 0.000 0.344 339 M C 0.038 176.661 176.300 0.539 0.000 1.170 339 M CA 0.344 55.880 55.300 0.393 0.000 1.135 339 M CB -0.020 32.809 32.600 0.381 0.000 1.574 339 M HN 0.689 nan 8.290 nan 0.000 0.452 340 H N 0.388 119.654 119.070 0.326 0.000 2.771 340 H HA 0.034 4.590 4.556 -0.000 0.000 0.364 340 H C 0.125 175.479 175.328 0.042 0.000 1.133 340 H CA -0.519 55.656 56.048 0.211 0.000 1.423 340 H CB 0.609 30.451 29.762 0.134 0.000 1.425 340 H HN 0.535 nan 8.280 nan 0.000 0.606 341 E N 1.115 121.245 120.200 -0.117 0.000 2.652 341 E HA -0.116 4.234 4.350 -0.000 0.000 0.255 341 E C 0.750 177.132 176.600 -0.362 0.000 0.952 341 E CA 0.878 56.831 56.400 -0.745 0.000 0.947 341 E CB -0.004 29.497 29.700 -0.331 0.000 0.912 341 E HN 0.946 nan 8.360 nan 0.000 0.489 342 G N 3.424 111.874 108.800 -0.583 0.000 2.157 342 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.248 342 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.248 342 G C -0.687 174.214 174.900 0.001 0.000 0.979 342 G CA 0.093 45.138 45.100 -0.092 0.000 0.650 342 G HN 0.512 nan 8.290 nan 0.000 0.529 343 W N 0.557 121.925 121.300 0.113 0.000 2.761 343 W HA 0.692 5.352 4.660 -0.000 0.000 0.340 343 W C -0.552 176.099 176.519 0.220 0.000 1.072 343 W CA -0.631 56.795 57.345 0.136 0.000 1.215 343 W CB 1.576 31.052 29.460 0.026 0.000 1.420 343 W HN -0.039 nan 8.180 nan 0.000 0.519 344 D N 1.094 121.694 120.400 0.333 0.000 2.457 344 D HA 0.655 5.295 4.640 -0.000 0.000 0.240 344 D C -1.071 175.311 176.300 0.137 0.000 1.041 344 D CA -0.600 53.506 54.000 0.177 0.000 0.861 344 D CB 2.067 42.909 40.800 0.071 0.000 1.394 344 D HN 0.339 nan 8.370 nan 0.000 0.473 345 A N 2.082 124.911 122.820 0.015 0.000 2.311 345 A HA 0.667 4.987 4.320 -0.000 0.000 0.306 345 A C -0.810 176.676 177.584 -0.164 0.000 1.189 345 A CA -0.580 51.419 52.037 -0.062 0.000 0.791 345 A CB 0.482 19.403 19.000 -0.131 0.000 1.172 345 A HN 0.476 nan 8.150 nan 0.000 0.481 346 L N 1.674 122.815 121.223 -0.137 0.000 2.330 346 L HA 0.563 4.903 4.340 -0.000 0.000 0.271 346 L C -0.358 176.406 176.870 -0.177 0.000 1.013 346 L CA -0.812 53.916 54.840 -0.187 0.000 0.816 346 L CB 1.513 43.529 42.059 -0.071 0.000 1.287 346 L HN 0.708 nan 8.230 nan 0.000 0.435 347 F N 1.508 121.412 119.950 -0.076 0.000 2.595 347 F HA 0.012 4.538 4.527 -0.000 0.000 0.359 347 F C -1.133 174.637 175.800 -0.051 0.000 1.147 347 F CA -0.844 57.111 58.000 -0.075 0.000 1.341 347 F CB 0.130 39.069 39.000 -0.102 0.000 1.104 347 F HN 0.396 nan 8.300 nan 0.000 0.603 348 P HA -0.204 nan 4.420 nan 0.000 0.216 348 P C 0.987 178.320 177.300 0.055 0.000 1.150 348 P CA 1.642 64.791 63.100 0.081 0.000 0.837 348 P CB -0.054 31.684 31.700 0.064 0.000 0.786 349 D N 0.067 120.497 120.400 0.049 0.000 2.144 349 D HA -0.183 4.456 4.640 -0.000 0.000 0.200 349 D C 1.830 178.140 176.300 0.016 0.000 0.978 349 D CA 1.316 55.323 54.000 0.013 0.000 0.833 349 D CB -0.917 39.868 40.800 -0.025 0.000 0.961 349 D HN 0.165 nan 8.370 nan 0.000 0.470 350 K N -0.281 120.144 120.400 0.043 0.000 2.057 350 K HA -0.080 4.240 4.320 -0.000 0.000 0.206 350 K C 2.206 178.815 176.600 0.015 0.000 1.050 350 K CA 0.512 56.815 56.287 0.027 0.000 0.935 350 K CB -0.191 32.340 32.500 0.052 0.000 0.715 350 K HN 0.092 nan 8.250 nan 0.000 0.439 351 L N 1.103 122.340 121.223 0.024 0.000 2.042 351 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 351 L C 2.158 179.036 176.870 0.014 0.000 1.076 351 L CA 2.061 56.911 54.840 0.016 0.000 0.749 351 L CB -0.615 41.458 42.059 0.023 0.000 0.893 351 L HN 0.217 nan 8.230 nan 0.000 0.432 352 A N -0.052 122.777 122.820 0.015 0.000 1.930 352 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 352 A C 2.266 179.852 177.584 0.003 0.000 1.175 352 A CA 1.759 53.802 52.037 0.010 0.000 0.627 352 A CB -0.513 18.492 19.000 0.009 0.000 0.815 352 A HN 0.653 nan 8.150 nan 0.000 0.443 353 K N -0.941 119.459 120.400 -0.000 0.000 2.262 353 K HA 0.085 4.405 4.320 -0.000 0.000 0.200 353 K C 1.051 177.647 176.600 -0.007 0.000 1.049 353 K CA -0.023 56.261 56.287 -0.005 0.000 0.979 353 K CB -0.054 32.440 32.500 -0.010 0.000 0.773 353 K HN 0.194 nan 8.250 nan 0.000 0.474 354 R N 1.781 122.276 120.500 -0.008 0.000 2.370 354 R HA 0.190 4.530 4.340 -0.000 0.000 0.309 354 R C -0.780 175.513 176.300 -0.011 0.000 1.059 354 R CA -0.008 56.084 56.100 -0.013 0.000 0.981 354 R CB 0.657 30.947 30.300 -0.018 0.000 0.972 354 R HN 0.355 nan 8.270 nan 0.000 0.437 355 A N 4.544 127.357 122.820 -0.012 0.000 2.450 355 A HA 0.135 4.455 4.320 -0.000 0.000 0.255 355 A C -0.376 177.200 177.584 -0.013 0.000 1.096 355 A CA -0.179 51.853 52.037 -0.009 0.000 0.778 355 A CB 0.438 19.435 19.000 -0.006 0.000 1.031 355 A HN 0.773 nan 8.150 nan 0.000 0.494 356 Q N 0.816 120.609 119.800 -0.012 0.000 2.230 356 Q HA 0.605 4.944 4.340 -0.000 0.000 0.253 356 Q C 0.462 176.452 176.000 -0.016 0.000 0.919 356 Q CA -0.475 55.318 55.803 -0.018 0.000 0.908 356 Q CB 2.072 30.800 28.738 -0.016 0.000 1.245 356 Q HN 0.885 nan 8.270 nan 0.000 0.437 357 R N 0.718 121.204 120.500 -0.023 0.000 5.266 357 R HA 0.207 4.547 4.340 -0.000 0.000 0.074 357 R C 0.013 176.296 176.300 -0.029 0.000 0.697 357 R CA 0.706 56.795 56.100 -0.017 0.000 1.217 357 R CB 0.088 30.386 30.300 -0.004 0.000 1.389 357 R HN 0.692 nan 8.270 nan 0.000 0.392 358 G N 0.046 108.829 108.800 -0.028 0.000 3.122 358 G HA2 0.385 4.345 3.960 -0.000 0.000 0.180 358 G HA3 0.385 4.345 3.960 -0.000 0.000 0.180 358 G C -1.028 173.835 174.900 -0.062 0.000 1.279 358 G CA -0.297 44.781 45.100 -0.037 0.000 0.987 358 G HN 0.153 nan 8.290 nan 0.000 0.589 359 T N 0.962 115.483 114.554 -0.055 0.000 2.869 359 T HA 0.493 4.843 4.350 -0.000 0.000 0.295 359 T C 0.328 174.998 174.700 -0.051 0.000 0.987 359 T CA 0.198 62.250 62.100 -0.079 0.000 1.109 359 T CB 1.047 69.873 68.868 -0.070 0.000 0.932 359 T HN 0.350 nan 8.240 nan 0.000 0.518 360 R N 0.454 120.913 120.500 -0.069 0.000 3.055 360 R HA 0.782 5.121 4.340 -0.000 0.000 0.231 360 R C 0.117 176.401 176.300 -0.028 0.000 1.443 360 R CA -1.046 55.030 56.100 -0.039 0.000 1.063 360 R CB 1.417 31.697 30.300 -0.033 0.000 1.514 360 R HN 0.739 nan 8.270 nan 0.000 0.510 361 G N -0.376 108.425 108.800 0.002 0.000 2.563 361 G HA2 0.581 4.541 3.960 -0.000 0.000 0.302 361 G HA3 0.581 4.541 3.960 -0.000 0.000 0.302 361 G C -1.222 173.691 174.900 0.021 0.000 1.301 361 G CA -0.270 44.823 45.100 -0.013 0.000 0.965 361 G HN 0.358 nan 8.290 nan 0.000 0.480 362 S N -1.142 114.589 115.700 0.052 0.000 2.607 362 S HA 0.721 5.191 4.470 -0.000 0.000 0.273 362 S C -0.648 173.957 174.600 0.010 0.000 1.148 362 S CA -0.723 57.477 58.200 -0.001 0.000 0.833 362 S CB 1.818 65.035 63.200 0.029 0.000 1.130 362 S HN 1.039 nan 8.310 nan 0.000 0.470 363 H N -1.671 117.245 119.070 -0.258 0.000 3.889 363 H HA 0.829 5.385 4.556 -0.000 0.000 0.351 363 H C 0.959 175.845 175.328 -0.736 0.000 1.657 363 H CA -0.345 55.476 56.048 -0.379 0.000 1.319 363 H CB -0.280 29.260 29.762 -0.370 0.000 1.314 363 H HN 1.055 nan 8.280 nan 0.000 0.771 364 G N -1.433 107.052 108.800 -0.525 0.000 2.148 364 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.254 364 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.254 364 G C -0.741 173.794 174.900 -0.609 0.000 0.981 364 G CA 0.612 45.335 45.100 -0.627 0.000 0.670 364 G HN 0.505 nan 8.290 nan 0.000 0.528 365 Y N 0.152 120.368 120.300 -0.140 0.000 2.408 365 Y HA 0.537 5.087 4.550 -0.000 0.000 0.324 365 Y C 0.872 176.715 175.900 -0.095 0.000 1.302 365 Y CA -1.327 56.736 58.100 -0.062 0.000 1.384 365 Y CB 0.280 38.763 38.460 0.037 0.000 1.367 365 Y HN 0.098 nan 8.280 nan 0.000 0.525 366 D N 2.146 122.679 120.400 0.221 0.000 2.793 366 D HA -0.079 4.560 4.640 -0.000 0.000 0.230 366 D C -1.873 174.521 176.300 0.156 0.000 1.139 366 D CA -0.745 53.394 54.000 0.232 0.000 0.838 366 D CB 0.718 41.783 40.800 0.443 0.000 1.149 366 D HN 0.193 nan 8.370 nan 0.000 0.526 367 P HA -0.089 nan 4.420 nan 0.000 0.223 367 P C 0.776 178.120 177.300 0.073 0.000 1.144 367 P CA 1.269 64.410 63.100 0.069 0.000 0.783 367 P CB 0.108 31.851 31.700 0.072 0.000 0.771 368 A N -1.049 121.847 122.820 0.126 0.000 2.119 368 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 368 A C 1.062 178.620 177.584 -0.043 0.000 1.152 368 A CA 0.257 52.317 52.037 0.039 0.000 0.708 368 A CB -1.117 17.938 19.000 0.091 0.000 0.805 368 A HN 0.139 nan 8.150 nan 0.000 0.460 369 L N 0.117 121.346 121.223 0.011 0.000 2.499 369 L HA 0.080 4.420 4.340 -0.000 0.000 0.273 369 L C -1.363 175.447 176.870 -0.100 0.000 1.195 369 L CA -1.358 53.469 54.840 -0.021 0.000 0.882 369 L CB 0.557 42.641 42.059 0.042 0.000 1.133 369 L HN 0.084 nan 8.230 nan 0.000 0.483 370 P HA -0.212 nan 4.420 nan 0.000 0.216 370 P C 1.572 178.812 177.300 -0.100 0.000 1.150 370 P CA 1.488 64.475 63.100 -0.188 0.000 0.843 370 P CB 0.131 31.745 31.700 -0.144 0.000 0.787 371 S N -1.913 113.762 115.700 -0.040 0.000 2.419 371 S HA -0.118 4.352 4.470 -0.000 0.000 0.233 371 S C 1.718 176.343 174.600 0.041 0.000 1.016 371 S CA 1.140 59.342 58.200 0.003 0.000 0.974 371 S CB -1.017 62.196 63.200 0.022 0.000 0.786 371 S HN -0.017 nan 8.310 nan 0.000 0.492 372 M N 0.884 120.508 119.600 0.041 0.000 2.556 372 M HA 0.274 4.754 4.480 -0.000 0.000 0.245 372 M C 0.571 176.896 176.300 0.043 0.000 1.128 372 M CA 0.241 55.584 55.300 0.071 0.000 1.069 372 M CB -0.855 31.790 32.600 0.075 0.000 1.469 372 M HN 0.273 nan 8.290 nan 0.000 0.494 373 R N 0.783 121.276 120.500 -0.013 0.000 2.570 373 R HA 0.340 4.680 4.340 -0.000 0.000 0.277 373 R C 0.230 176.573 176.300 0.071 0.000 1.039 373 R CA -0.019 56.084 56.100 0.004 0.000 1.065 373 R CB 0.425 30.682 30.300 -0.073 0.000 0.964 373 R HN 0.180 nan 8.270 nan 0.000 0.428 374 A N 2.507 125.383 122.820 0.094 0.000 2.261 374 A HA 0.583 4.903 4.320 -0.000 0.000 0.323 374 A C -0.286 177.377 177.584 0.132 0.000 1.107 374 A CA -0.782 51.300 52.037 0.077 0.000 0.883 374 A CB 0.985 20.006 19.000 0.035 0.000 1.251 374 A HN 0.558 nan 8.150 nan 0.000 0.502 375 V N -2.225 117.760 119.914 0.118 0.000 2.612 375 V HA 0.841 4.961 4.120 -0.000 0.000 0.301 375 V C -0.682 175.554 176.094 0.236 0.000 1.046 375 V CA -0.631 61.765 62.300 0.159 0.000 0.946 375 V CB 1.138 33.023 31.823 0.104 0.000 1.003 375 V HN 0.974 nan 8.190 nan 0.000 0.459 376 F N 6.326 126.350 119.950 0.123 0.000 2.585 376 F HA 0.812 5.339 4.527 -0.000 0.000 0.319 376 F C -1.142 174.746 175.800 0.145 0.000 1.165 376 F CA -0.812 57.294 58.000 0.176 0.000 0.949 376 F CB 1.685 40.886 39.000 0.335 0.000 1.218 376 F HN 0.833 nan 8.300 nan 0.000 0.453 377 L N 3.753 124.623 121.223 -0.590 0.000 2.415 377 L HA 1.103 5.443 4.340 -0.000 0.000 0.256 377 L C -1.554 174.912 176.870 -0.673 0.000 1.010 377 L CA -0.940 53.593 54.840 -0.512 0.000 0.826 377 L CB 1.716 43.669 42.059 -0.176 0.000 1.405 377 L HN 0.760 nan 8.230 nan 0.000 0.410 378 A N 1.219 123.786 122.820 -0.421 0.000 2.594 378 A HA 0.869 5.189 4.320 -0.000 0.000 0.295 378 A C -1.669 175.836 177.584 -0.130 0.000 1.071 378 A CA -0.376 51.497 52.037 -0.274 0.000 0.685 378 A CB 2.080 20.933 19.000 -0.246 0.000 1.285 378 A HN 0.874 nan 8.150 nan 0.000 0.405 379 Q N 0.585 120.333 119.800 -0.088 0.000 2.426 379 Q HA 0.627 4.967 4.340 -0.000 0.000 0.278 379 Q C -0.647 175.321 176.000 -0.053 0.000 1.007 379 Q CA 0.280 56.044 55.803 -0.066 0.000 0.850 379 Q CB 2.087 30.783 28.738 -0.071 0.000 1.427 379 Q HN 2.449 nan 8.270 nan 0.000 0.391 380 G N 2.383 111.150 108.800 -0.055 0.000 2.356 380 G HA2 0.162 4.122 3.960 -0.000 0.000 0.300 380 G HA3 0.162 4.122 3.960 -0.000 0.000 0.300 380 G C -2.658 172.193 174.900 -0.082 0.000 1.331 380 G CA -0.197 44.860 45.100 -0.071 0.000 0.905 380 G HN 0.361 nan 8.290 nan 0.000 0.587 381 P HA 0.011 nan 4.420 nan 0.000 0.219 381 P C 0.448 177.726 177.300 -0.036 0.000 1.146 381 P CA 1.379 64.392 63.100 -0.145 0.000 0.808 381 P CB 0.211 31.667 31.700 -0.408 0.000 0.779 382 D N -0.890 119.509 120.400 -0.002 0.000 2.363 382 D HA 0.187 4.826 4.640 -0.000 0.000 0.214 382 D C 0.715 177.027 176.300 0.020 0.000 1.093 382 D CA 0.200 54.228 54.000 0.047 0.000 0.837 382 D CB 0.610 41.466 40.800 0.093 0.000 0.948 382 D HN 0.251 nan 8.370 nan 0.000 0.507 383 L N 0.480 121.703 121.223 0.000 0.000 2.330 383 L HA 0.547 4.887 4.340 -0.000 0.000 0.271 383 L C 0.513 177.378 176.870 -0.009 0.000 1.013 383 L CA -1.031 53.809 54.840 -0.000 0.000 0.816 383 L CB 1.764 43.820 42.059 -0.005 0.000 1.287 383 L HN -0.195 nan 8.230 nan 0.000 0.435 384 A N 1.732 124.550 122.820 -0.005 0.000 2.429 384 A HA 0.387 4.706 4.320 -0.000 0.000 0.242 384 A C -0.464 177.108 177.584 -0.020 0.000 1.088 384 A CA 0.012 52.043 52.037 -0.010 0.000 0.784 384 A CB 0.213 19.209 19.000 -0.007 0.000 1.038 384 A HN 0.737 nan 8.150 nan 0.000 0.501 385 Q N -0.551 119.235 119.800 -0.023 0.000 2.310 385 Q HA 0.511 4.850 4.340 -0.000 0.000 0.270 385 Q C 0.269 176.251 176.000 -0.031 0.000 1.025 385 Q CA -0.018 55.765 55.803 -0.034 0.000 0.772 385 Q CB 1.858 30.575 28.738 -0.034 0.000 1.253 385 Q HN 1.745 nan 8.270 nan 0.000 0.450 386 G N 2.327 111.104 108.800 -0.038 0.000 2.212 386 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.255 386 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.255 386 G C -0.274 174.616 174.900 -0.018 0.000 1.062 386 G CA 0.372 45.453 45.100 -0.031 0.000 0.815 386 G HN 0.421 nan 8.290 nan 0.000 0.497 387 K N 0.027 120.419 120.400 -0.013 0.000 2.259 387 K HA 0.700 5.020 4.320 -0.000 0.000 0.252 387 K C -0.414 176.190 176.600 0.007 0.000 0.936 387 K CA -0.507 55.777 56.287 -0.004 0.000 0.810 387 K CB 1.287 33.785 32.500 -0.004 0.000 1.143 387 K HN 0.050 nan 8.250 nan 0.000 0.427 388 T N 3.877 118.435 114.554 0.007 0.000 2.824 388 T HA 0.440 4.790 4.350 -0.000 0.000 0.282 388 T C -0.599 174.101 174.700 0.000 0.000 0.993 388 T CA -0.699 61.410 62.100 0.015 0.000 0.967 388 T CB 0.660 69.537 68.868 0.013 0.000 0.960 388 T HN 0.369 nan 8.240 nan 0.000 0.441 389 L N 3.689 124.914 121.223 0.003 0.000 2.334 389 L HA 0.546 4.886 4.340 -0.000 0.000 0.272 389 L C -2.297 174.528 176.870 -0.075 0.000 1.020 389 L CA -2.717 52.098 54.840 -0.041 0.000 0.812 389 L CB 1.227 43.245 42.059 -0.069 0.000 1.264 389 L HN 0.328 nan 8.230 nan 0.000 0.439 390 P HA 0.027 nan 4.420 nan 0.000 0.270 390 P C -0.069 177.029 177.300 -0.338 0.000 1.227 390 P CA -0.229 62.760 63.100 -0.185 0.000 0.788 390 P CB 0.375 32.002 31.700 -0.122 0.000 0.926 391 G N 0.722 109.025 108.800 -0.827 0.000 2.484 391 G HA2 0.416 4.376 3.960 -0.000 0.000 0.235 391 G HA3 0.416 4.376 3.960 -0.000 0.000 0.235 391 G C -0.756 173.707 174.900 -0.729 0.000 1.282 391 G CA -0.038 44.039 45.100 -1.706 0.000 0.857 391 G HN 0.531 nan 8.290 nan 0.000 0.571 392 F N -0.603 119.015 119.950 -0.553 0.000 2.711 392 F HA 0.631 5.158 4.527 -0.000 0.000 0.313 392 F C -1.086 174.733 175.800 0.031 0.000 1.141 392 F CA -1.662 56.233 58.000 -0.176 0.000 0.941 392 F CB 1.396 40.271 39.000 -0.208 0.000 1.349 392 F HN 0.497 nan 8.300 nan 0.000 0.464 393 D N 0.964 121.406 120.400 0.069 0.000 2.210 393 D HA 0.196 4.836 4.640 -0.000 0.000 0.249 393 D C 0.923 177.218 176.300 -0.009 0.000 1.062 393 D CA -0.432 53.572 54.000 0.006 0.000 0.891 393 D CB 1.047 41.917 40.800 0.116 0.000 1.186 393 D HN 0.670 nan 8.370 nan 0.000 0.432 394 N N 2.695 121.363 118.700 -0.053 0.000 2.443 394 N HA -0.176 4.563 4.740 -0.000 0.000 0.184 394 N C 1.592 177.191 175.510 0.148 0.000 1.037 394 N CA 1.487 54.552 53.050 0.025 0.000 0.896 394 N CB -0.707 37.801 38.487 0.036 0.000 0.959 394 N HN 0.348 nan 8.380 nan 0.000 0.442 395 V N -2.469 117.531 119.914 0.145 0.000 2.867 395 V HA -0.088 4.032 4.120 -0.000 0.000 0.260 395 V C 1.010 177.210 176.094 0.177 0.000 1.099 395 V CA 1.723 64.114 62.300 0.150 0.000 1.122 395 V CB -0.574 31.323 31.823 0.124 0.000 0.708 395 V HN -0.025 nan 8.190 nan 0.000 0.490 396 D N 0.526 121.054 120.400 0.214 0.000 2.347 396 D HA 0.030 4.670 4.640 -0.000 0.000 0.213 396 D C 2.113 178.485 176.300 0.121 0.000 0.985 396 D CA 0.878 54.974 54.000 0.161 0.000 0.879 396 D CB 0.262 41.149 40.800 0.145 0.000 0.919 396 D HN 0.465 nan 8.370 nan 0.000 0.526 397 V N 0.663 120.698 119.914 0.201 0.000 2.427 397 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 397 V C 2.143 178.324 176.094 0.146 0.000 1.051 397 V CA 1.162 63.561 62.300 0.166 0.000 1.048 397 V CB -0.685 31.304 31.823 0.277 0.000 0.666 397 V HN 0.185 nan 8.190 nan 0.000 0.456 398 Y N 1.776 122.106 120.300 0.050 0.000 2.114 398 Y HA -0.325 4.225 4.550 -0.000 0.000 0.282 398 Y C 2.401 178.297 175.900 -0.007 0.000 1.165 398 Y CA 1.816 59.921 58.100 0.007 0.000 1.148 398 Y CB -0.559 37.895 38.460 -0.011 0.000 0.972 398 Y HN 0.160 nan 8.280 nan 0.000 0.504 399 A N -0.061 122.769 122.820 0.016 0.000 1.940 399 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 399 A C 2.186 179.692 177.584 -0.130 0.000 1.176 399 A CA 1.787 53.775 52.037 -0.082 0.000 0.631 399 A CB -1.178 17.829 19.000 0.012 0.000 0.814 399 A HN 0.581 nan 8.150 nan 0.000 0.446 400 L N -0.620 120.554 121.223 -0.082 0.000 2.027 400 L HA -0.091 4.249 4.340 -0.000 0.000 0.206 400 L C 2.487 179.314 176.870 -0.072 0.000 1.074 400 L CA 2.045 56.850 54.840 -0.058 0.000 0.745 400 L CB -0.478 41.576 42.059 -0.008 0.000 0.898 400 L HN 0.425 nan 8.230 nan 0.000 0.433 401 M N -1.300 118.244 119.600 -0.094 0.000 2.117 401 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 401 M C 2.296 178.477 176.300 -0.199 0.000 1.065 401 M CA 1.816 57.047 55.300 -0.117 0.000 1.114 401 M CB -0.556 31.979 32.600 -0.109 0.000 1.361 401 M HN 0.264 nan 8.290 nan 0.000 0.408 402 S N 0.042 115.525 115.700 -0.361 0.000 2.370 402 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 402 S C 1.866 176.356 174.600 -0.183 0.000 1.033 402 S CA 1.378 59.370 58.200 -0.348 0.000 1.011 402 S CB -0.424 62.473 63.200 -0.506 0.000 0.852 402 S HN 0.415 nan 8.310 nan 0.000 0.457 403 R N 0.888 121.302 120.500 -0.145 0.000 2.073 403 R HA -0.012 4.328 4.340 -0.000 0.000 0.234 403 R C 2.103 178.368 176.300 -0.058 0.000 1.134 403 R CA 1.219 57.268 56.100 -0.085 0.000 0.952 403 R CB -0.369 29.892 30.300 -0.065 0.000 0.850 403 R HN 0.359 nan 8.270 nan 0.000 0.433 404 L N 0.577 121.771 121.223 -0.048 0.000 2.201 404 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 404 L C 1.962 178.822 176.870 -0.017 0.000 1.105 404 L CA 0.775 55.606 54.840 -0.014 0.000 0.775 404 L CB -0.092 41.970 42.059 0.005 0.000 0.913 404 L HN 0.276 nan 8.230 nan 0.000 0.440 405 L N -0.563 120.631 121.223 -0.047 0.000 2.592 405 L HA 0.197 4.537 4.340 -0.000 0.000 0.227 405 L C 1.292 178.132 176.870 -0.051 0.000 1.127 405 L CA 0.239 55.053 54.840 -0.045 0.000 0.884 405 L CB -0.269 41.751 42.059 -0.066 0.000 1.065 405 L HN 0.391 nan 8.230 nan 0.000 0.457 406 G N 2.214 110.980 108.800 -0.057 0.000 2.323 406 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.292 406 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.292 406 G C 0.124 174.988 174.900 -0.060 0.000 1.040 406 G CA 0.721 45.788 45.100 -0.055 0.000 0.942 406 G HN 0.512 nan 8.290 nan 0.000 0.506 407 I N -2.870 117.654 120.570 -0.076 0.000 2.603 407 I HA 0.785 4.955 4.170 -0.000 0.000 0.300 407 I C -2.307 173.767 176.117 -0.071 0.000 1.017 407 I CA -3.479 57.778 61.300 -0.071 0.000 1.098 407 I CB 2.121 40.073 38.000 -0.080 0.000 1.279 407 I HN -0.132 nan 8.210 nan 0.000 0.437 408 P HA 0.162 nan 4.420 nan 0.000 0.271 408 P C -0.532 176.761 177.300 -0.012 0.000 1.216 408 P CA -0.113 62.971 63.100 -0.027 0.000 0.771 408 P CB 0.810 32.503 31.700 -0.011 0.000 0.864 409 A N 3.381 126.200 122.820 -0.003 0.000 2.404 409 A HA 0.502 4.822 4.320 -0.000 0.000 0.273 409 A C 0.764 178.451 177.584 0.171 0.000 1.144 409 A CA -0.248 51.841 52.037 0.087 0.000 0.806 409 A CB -0.458 18.583 19.000 0.068 0.000 1.080 409 A HN 0.641 nan 8.150 nan 0.000 0.509 410 A N 4.604 127.580 122.820 0.259 0.000 2.448 410 A HA 0.541 4.861 4.320 -0.000 0.000 0.239 410 A C -2.198 175.422 177.584 0.061 0.000 1.080 410 A CA -1.086 51.014 52.037 0.104 0.000 0.779 410 A CB -0.625 18.393 19.000 0.030 0.000 1.026 410 A HN 0.653 nan 8.150 nan 0.000 0.499 411 P HA 0.150 nan 4.420 nan 0.000 0.263 411 P C -0.688 176.579 177.300 -0.054 0.000 1.195 411 P CA 0.444 63.537 63.100 -0.012 0.000 0.762 411 P CB 0.196 31.881 31.700 -0.025 0.000 0.799 412 N N 0.406 119.089 118.700 -0.030 0.000 2.972 412 N HA 0.320 5.060 4.740 -0.000 0.000 0.262 412 N C -0.529 174.990 175.510 0.015 0.000 1.478 412 N CA -0.751 52.266 53.050 -0.055 0.000 0.841 412 N CB 0.552 38.952 38.487 -0.144 0.000 1.512 412 N HN -0.044 nan 8.380 nan 0.000 0.548 413 D N -1.343 119.084 120.400 0.045 0.000 2.349 413 D HA 0.209 4.849 4.640 -0.000 0.000 0.214 413 D C 0.508 176.862 176.300 0.090 0.000 1.063 413 D CA 0.249 54.305 54.000 0.094 0.000 0.847 413 D CB -0.013 40.878 40.800 0.150 0.000 0.933 413 D HN 0.573 nan 8.370 nan 0.000 0.513 414 G N 0.283 109.137 108.800 0.089 0.000 2.528 414 G HA2 0.198 4.158 3.960 -0.000 0.000 0.289 414 G HA3 0.198 4.158 3.960 -0.000 0.000 0.289 414 G C -0.129 174.818 174.900 0.078 0.000 1.192 414 G CA -0.363 44.797 45.100 0.101 0.000 0.921 414 G HN -0.053 nan 8.290 nan 0.000 0.512 415 N N 0.230 118.969 118.700 0.064 0.000 2.444 415 N HA 0.356 5.096 4.740 -0.000 0.000 0.262 415 N C -1.721 173.794 175.510 0.009 0.000 0.974 415 N CA -2.243 50.828 53.050 0.035 0.000 0.933 415 N CB 2.206 40.710 38.487 0.028 0.000 1.137 415 N HN -0.044 nan 8.380 nan 0.000 0.498 416 P HA -0.020 nan 4.420 nan 0.000 0.222 416 P C 0.754 178.028 177.300 -0.044 0.000 1.147 416 P CA 0.754 63.844 63.100 -0.017 0.000 0.790 416 P CB 0.286 31.982 31.700 -0.007 0.000 0.780 417 A N -0.757 122.040 122.820 -0.038 0.000 1.969 417 A HA -0.148 4.171 4.320 -0.000 0.000 0.218 417 A C 2.154 179.684 177.584 -0.089 0.000 1.169 417 A CA 2.028 54.034 52.037 -0.051 0.000 0.635 417 A CB -1.777 17.202 19.000 -0.034 0.000 0.810 417 A HN 0.157 nan 8.150 nan 0.000 0.445 418 T N 0.302 114.788 114.554 -0.112 0.000 2.684 418 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 418 T C 1.384 175.906 174.700 -0.295 0.000 1.036 418 T CA 1.519 63.504 62.100 -0.193 0.000 1.148 418 T CB -0.259 68.484 68.868 -0.209 0.000 0.863 418 T HN 0.385 nan 8.240 nan 0.000 0.436 419 L N 0.482 121.529 121.223 -0.293 0.000 2.667 419 L HA 0.329 4.669 4.340 -0.000 0.000 0.232 419 L C 1.753 178.529 176.870 -0.156 0.000 1.138 419 L CA -0.101 54.556 54.840 -0.306 0.000 0.921 419 L CB -0.241 41.589 42.059 -0.381 0.000 1.180 419 L HN 0.210 nan 8.230 nan 0.000 0.487 420 L N 0.816 121.969 121.223 -0.117 0.000 2.042 420 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 420 L C -0.240 176.592 176.870 -0.063 0.000 1.076 420 L CA 1.500 56.297 54.840 -0.073 0.000 0.749 420 L CB -1.579 40.446 42.059 -0.058 0.000 0.893 420 L HN 0.283 nan 8.230 nan 0.000 0.432 421 P HA -0.112 nan 4.420 nan 0.000 0.228 421 P C 1.170 178.444 177.300 -0.043 0.000 1.151 421 P CA 1.156 64.220 63.100 -0.059 0.000 0.770 421 P CB -0.005 31.652 31.700 -0.071 0.000 0.786 422 A N -1.025 121.769 122.820 -0.044 0.000 2.119 422 A HA -0.001 4.319 4.320 -0.000 0.000 0.217 422 A C 1.068 178.659 177.584 0.011 0.000 1.153 422 A CA 0.441 52.484 52.037 0.009 0.000 0.692 422 A CB -0.983 18.056 19.000 0.064 0.000 0.799 422 A HN 0.148 nan 8.150 nan 0.000 0.458 423 L N -0.932 120.288 121.223 -0.006 0.000 2.436 423 L HA 0.233 4.573 4.340 -0.000 0.000 0.265 423 L C 1.790 178.659 176.870 -0.003 0.000 1.168 423 L CA -0.464 54.375 54.840 -0.001 0.000 0.815 423 L CB 0.525 42.579 42.059 -0.008 0.000 1.109 423 L HN 0.356 nan 8.230 nan 0.000 0.462 424 R N 1.247 121.749 120.500 0.002 0.000 2.096 424 R HA -0.072 4.268 4.340 -0.000 0.000 0.235 424 R C 0.392 176.690 176.300 -0.002 0.000 1.127 424 R CA 1.374 57.474 56.100 -0.000 0.000 0.968 424 R CB 0.198 30.501 30.300 0.004 0.000 0.861 424 R HN 0.608 nan 8.270 nan 0.000 0.440 425 M N 0.000 119.599 119.600 -0.001 0.000 2.572 425 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 425 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 425 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 425 M HN 0.000 nan 8.290 nan 0.000 0.411