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 1xwf_1_B DATA FIRST_RESID 2 DATA SEQUENCE DKLPYKVADI GLAAWGRKAL DIAENEMPGL MRMREMYSAS KPLKGARIAG DATA SEQUENCE CLHMTVETAV LIETLVALGA EVRWSSCNIF STQDHAAAAI AKAGIPVFAW DATA SEQUENCE KGETDEEYLW CIEQTLHFKD GPLNMILDDG GDLTNLIHTK HPQLLSGIRG DATA SEQUENCE ISEETTTGVH NLYKMMANGI LKVPAINVND SVTNSKFDNL YGCRESLIDG DATA SEQUENCE IKRATDVMIA GKVAVVAGYG DVGKGCAQAL RGFGARVIIT EIDPINALQA DATA SEQUENCE AMEGYEVTTM DEACKEGNIF VTTTGCVDII LGRHFEQMKD DAIVCNIGHF DATA SEQUENCE DVEIDVKWLN ENAVEKVNIK PQVDRYLLKN GHRIILLAEG RLVNLGCAMG DATA SEQUENCE HPSFVMSNSF TNQVMAQIEL WTHPDKYPVG VHFLPKKLDE AVAEAHLGKL DATA SEQUENCE NVKLTKLTEK QAQYLGMPIN GPFKPDHYRY 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 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.361 176.300 0.101 0.000 2.045 2 D CA 0.000 54.090 54.000 0.150 0.000 0.868 2 D CB 0.000 40.866 40.800 0.110 0.000 0.688 3 K N 0.995 121.446 120.400 0.086 0.000 2.981 3 K HA 0.394 4.714 4.320 -0.001 0.000 0.213 3 K C -0.388 176.265 176.600 0.088 0.000 1.154 3 K CA -0.121 56.204 56.287 0.063 0.000 1.111 3 K CB 0.241 32.761 32.500 0.034 0.000 0.975 3 K HN 0.143 nan 8.250 nan 0.000 0.462 4 L N 1.422 122.740 121.223 0.158 0.000 2.473 4 L HA 0.161 4.500 4.340 -0.001 0.000 0.268 4 L C -0.856 176.093 176.870 0.132 0.000 1.215 4 L CA -1.077 53.847 54.840 0.139 0.000 0.823 4 L CB 0.375 42.588 42.059 0.257 0.000 1.099 4 L HN 0.169 nan 8.230 nan 0.000 0.483 5 P HA 0.028 nan 4.420 nan 0.000 0.239 5 P C -1.012 176.257 177.300 -0.052 0.000 1.188 5 P CA 0.734 63.831 63.100 -0.005 0.000 0.794 5 P CB 0.364 32.065 31.700 0.001 0.000 0.937 6 Y N -3.755 116.348 120.300 -0.327 0.000 2.786 6 Y HA 0.700 5.250 4.550 -0.001 0.000 0.365 6 Y C -1.498 174.145 175.900 -0.428 0.000 1.171 6 Y CA -1.794 55.843 58.100 -0.771 0.000 1.214 6 Y CB 0.070 38.269 38.460 -0.435 0.000 1.411 6 Y HN -0.371 nan 8.280 nan 0.000 0.485 7 K N 2.483 122.765 120.400 -0.197 0.000 2.723 7 K HA 0.632 4.951 4.320 -0.001 0.000 0.229 7 K C -1.734 175.129 176.600 0.438 0.000 1.022 7 K CA -0.328 56.117 56.287 0.263 0.000 1.045 7 K CB 1.027 33.955 32.500 0.713 0.000 1.227 7 K HN 1.061 nan 8.250 nan 0.000 0.516 8 V N 0.448 120.578 119.914 0.360 0.000 3.103 8 V HA 0.837 4.957 4.120 -0.001 0.000 0.318 8 V C 1.275 177.499 176.094 0.216 0.000 1.114 8 V CA -0.187 62.307 62.300 0.324 0.000 1.020 8 V CB 1.384 33.314 31.823 0.178 0.000 1.085 8 V HN 0.460 nan 8.190 nan 0.000 0.446 9 A N 0.413 123.362 122.820 0.214 0.000 1.834 9 A HA -0.056 4.264 4.320 -0.001 0.000 0.216 9 A C 1.020 178.642 177.584 0.063 0.000 1.203 9 A CA 2.192 54.287 52.037 0.096 0.000 0.621 9 A CB -0.575 18.517 19.000 0.152 0.000 0.841 9 A HN 1.118 nan 8.150 nan 0.000 0.446 10 D N -1.767 118.688 120.400 0.092 0.000 2.686 10 D HA 0.292 4.932 4.640 -0.001 0.000 0.249 10 D C 0.257 176.606 176.300 0.083 0.000 1.260 10 D CA -0.553 53.496 54.000 0.082 0.000 0.910 10 D CB 1.428 42.277 40.800 0.082 0.000 1.323 10 D HN 0.047 nan 8.370 nan 0.000 0.561 11 I N 4.069 124.690 120.570 0.084 0.000 2.423 11 I HA -0.092 4.077 4.170 -0.001 0.000 0.254 11 I C 2.156 178.300 176.117 0.044 0.000 1.151 11 I CA 1.910 63.240 61.300 0.050 0.000 1.421 11 I CB -0.043 38.005 38.000 0.080 0.000 1.079 11 I HN 0.644 nan 8.210 nan 0.000 0.431 12 G N 0.647 109.487 108.800 0.067 0.000 2.476 12 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.218 12 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.218 12 G C 1.507 176.471 174.900 0.107 0.000 1.164 12 G CA 0.787 45.932 45.100 0.076 0.000 0.768 12 G HN 0.348 nan 8.290 nan 0.000 0.560 13 L N 1.359 122.665 121.223 0.138 0.000 2.283 13 L HA -0.208 4.132 4.340 -0.001 0.000 0.217 13 L C 3.245 180.214 176.870 0.165 0.000 1.104 13 L CA 1.612 56.578 54.840 0.210 0.000 0.772 13 L CB -1.611 40.563 42.059 0.192 0.000 0.899 13 L HN 0.374 nan 8.230 nan 0.000 0.439 14 A N 0.500 123.365 122.820 0.076 0.000 1.870 14 A HA -0.331 3.988 4.320 -0.001 0.000 0.219 14 A C 2.612 180.242 177.584 0.078 0.000 1.224 14 A CA 2.895 54.949 52.037 0.028 0.000 0.650 14 A CB -1.013 17.979 19.000 -0.014 0.000 0.836 14 A HN 0.439 nan 8.150 nan 0.000 0.454 15 A N -1.827 121.055 122.820 0.103 0.000 1.944 15 A HA -0.311 4.008 4.320 -0.001 0.000 0.222 15 A C 2.016 179.724 177.584 0.208 0.000 1.237 15 A CA 2.545 54.657 52.037 0.125 0.000 0.668 15 A CB -1.196 17.873 19.000 0.115 0.000 0.830 15 A HN 1.191 nan 8.150 nan 0.000 0.471 16 W N 0.520 121.847 121.300 0.046 0.000 2.409 16 W HA 0.108 4.769 4.660 0.000 0.000 0.299 16 W C 2.172 178.778 176.519 0.144 0.000 1.203 16 W CA 1.231 58.612 57.345 0.060 0.000 1.298 16 W CB -0.989 28.485 29.460 0.023 0.000 1.127 16 W HN 0.224 nan 8.180 nan 0.000 0.528 17 G N 0.777 109.610 108.800 0.056 0.000 2.442 17 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.219 17 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.219 17 G C 1.595 176.471 174.900 -0.040 0.000 1.141 17 G CA 1.261 46.317 45.100 -0.074 0.000 0.763 17 G HN 0.220 nan 8.290 nan 0.000 0.554 18 R N 0.901 121.410 120.500 0.015 0.000 2.115 18 R HA 0.084 4.424 4.340 -0.001 0.000 0.230 18 R C 2.345 178.678 176.300 0.054 0.000 1.111 18 R CA 1.312 57.420 56.100 0.013 0.000 0.976 18 R CB -0.504 29.808 30.300 0.019 0.000 0.870 18 R HN 0.339 nan 8.270 nan 0.000 0.445 19 K N -0.431 120.043 120.400 0.123 0.000 2.032 19 K HA -0.101 4.219 4.320 -0.001 0.000 0.209 19 K C 1.980 178.656 176.600 0.127 0.000 1.048 19 K CA 1.630 58.008 56.287 0.153 0.000 0.927 19 K CB -0.238 32.424 32.500 0.269 0.000 0.712 19 K HN 0.258 nan 8.250 nan 0.000 0.441 20 A N 1.538 124.432 122.820 0.124 0.000 1.858 20 A HA -0.133 4.187 4.320 -0.001 0.000 0.216 20 A C 2.047 179.653 177.584 0.036 0.000 1.190 20 A CA 1.235 53.326 52.037 0.090 0.000 0.617 20 A CB -0.773 18.274 19.000 0.079 0.000 0.827 20 A HN 0.189 nan 8.150 nan 0.000 0.443 21 L N -0.303 120.915 121.223 -0.008 0.000 2.263 21 L HA -0.216 4.123 4.340 -0.001 0.000 0.216 21 L C 1.859 178.730 176.870 0.001 0.000 1.111 21 L CA 1.376 56.201 54.840 -0.024 0.000 0.773 21 L CB -0.988 41.038 42.059 -0.056 0.000 0.906 21 L HN 0.428 nan 8.230 nan 0.000 0.439 22 D N 0.556 120.968 120.400 0.021 0.000 2.106 22 D HA -0.102 4.537 4.640 -0.001 0.000 0.203 22 D C 2.244 178.565 176.300 0.036 0.000 0.977 22 D CA 1.069 55.085 54.000 0.027 0.000 0.844 22 D CB 0.108 40.930 40.800 0.037 0.000 1.002 22 D HN 0.195 nan 8.370 nan 0.000 0.461 23 I N 1.904 122.504 120.570 0.051 0.000 2.151 23 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 23 I C 2.527 178.677 176.117 0.055 0.000 1.080 23 I CA 1.254 62.588 61.300 0.057 0.000 1.339 23 I CB -0.350 37.693 38.000 0.072 0.000 1.039 23 I HN -0.076 nan 8.210 nan 0.000 0.409 24 A N -0.346 122.505 122.820 0.051 0.000 1.908 24 A HA -0.284 4.036 4.320 -0.001 0.000 0.218 24 A C 2.253 179.866 177.584 0.048 0.000 1.181 24 A CA 2.022 54.090 52.037 0.051 0.000 0.627 24 A CB -0.779 18.242 19.000 0.035 0.000 0.818 24 A HN 0.495 nan 8.150 nan 0.000 0.445 25 E N -0.429 119.790 120.200 0.032 0.000 2.160 25 E HA -0.213 4.137 4.350 -0.001 0.000 0.195 25 E C 1.586 178.210 176.600 0.039 0.000 0.991 25 E CA 1.312 57.728 56.400 0.026 0.000 0.810 25 E CB -0.216 29.491 29.700 0.011 0.000 0.742 25 E HN 0.691 nan 8.360 nan 0.000 0.466 26 N N 0.185 118.915 118.700 0.049 0.000 2.459 26 N HA -0.088 4.651 4.740 -0.001 0.000 0.181 26 N C 1.041 176.607 175.510 0.095 0.000 1.046 26 N CA 0.603 53.688 53.050 0.059 0.000 0.904 26 N CB 0.305 38.823 38.487 0.052 0.000 0.964 26 N HN 0.057 nan 8.380 nan 0.000 0.444 27 E N -0.476 119.792 120.200 0.112 0.000 2.481 27 E HA 0.171 4.521 4.350 -0.001 0.000 0.198 27 E C -0.225 176.490 176.600 0.192 0.000 1.027 27 E CA 0.249 56.763 56.400 0.191 0.000 0.900 27 E CB 0.395 30.197 29.700 0.170 0.000 0.993 27 E HN 0.438 nan 8.360 nan 0.000 0.482 28 M N 0.901 120.556 119.600 0.092 0.000 2.386 28 M HA 0.257 4.737 4.480 -0.001 0.000 0.245 28 M C -2.181 174.109 176.300 -0.016 0.000 0.982 28 M CA -1.698 53.619 55.300 0.027 0.000 0.860 28 M CB 1.315 33.930 32.600 0.026 0.000 1.371 28 M HN -0.271 nan 8.290 nan 0.000 0.425 29 P HA -0.102 nan 4.420 nan 0.000 0.215 29 P C 1.653 178.783 177.300 -0.283 0.000 1.157 29 P CA 1.540 64.546 63.100 -0.156 0.000 0.863 29 P CB 0.106 31.708 31.700 -0.163 0.000 0.787 30 G N 0.714 109.196 108.800 -0.530 0.000 2.628 30 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.217 30 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.217 30 G C 1.544 176.374 174.900 -0.118 0.000 1.240 30 G CA 1.167 46.049 45.100 -0.364 0.000 0.792 30 G HN 0.211 nan 8.290 nan 0.000 0.593 31 L N -0.213 120.982 121.223 -0.047 0.000 2.043 31 L HA -0.139 4.200 4.340 -0.001 0.000 0.212 31 L C 3.110 179.970 176.870 -0.018 0.000 1.075 31 L CA 1.085 55.917 54.840 -0.013 0.000 0.752 31 L CB -0.449 41.616 42.059 0.010 0.000 0.891 31 L HN 0.189 nan 8.230 nan 0.000 0.432 32 M N -0.590 118.992 119.600 -0.030 0.000 2.279 32 M HA -0.176 4.303 4.480 -0.001 0.000 0.264 32 M C 2.310 178.601 176.300 -0.016 0.000 1.062 32 M CA 1.475 56.763 55.300 -0.020 0.000 1.099 32 M CB -1.140 31.448 32.600 -0.019 0.000 1.394 32 M HN 0.194 nan 8.290 nan 0.000 0.426 33 R N 0.236 120.716 120.500 -0.033 0.000 2.075 33 R HA -0.015 4.325 4.340 -0.001 0.000 0.226 33 R C 2.003 178.333 176.300 0.050 0.000 1.114 33 R CA 1.179 57.271 56.100 -0.013 0.000 0.972 33 R CB -0.173 30.098 30.300 -0.049 0.000 0.869 33 R HN 0.075 nan 8.270 nan 0.000 0.437 34 M N 0.593 120.234 119.600 0.068 0.000 2.144 34 M HA -0.140 4.340 4.480 -0.001 0.000 0.260 34 M C 2.069 178.481 176.300 0.185 0.000 1.067 34 M CA 1.668 57.063 55.300 0.159 0.000 1.095 34 M CB -0.838 31.791 32.600 0.049 0.000 1.365 34 M HN 0.192 nan 8.290 nan 0.000 0.406 35 R N -0.268 120.282 120.500 0.082 0.000 2.075 35 R HA -0.108 4.231 4.340 -0.001 0.000 0.232 35 R C 2.145 178.478 176.300 0.055 0.000 1.126 35 R CA 1.159 57.296 56.100 0.062 0.000 0.963 35 R CB -0.139 30.173 30.300 0.020 0.000 0.858 35 R HN 0.546 nan 8.270 nan 0.000 0.435 36 E N 0.605 120.824 120.200 0.033 0.000 2.007 36 E HA -0.196 4.153 4.350 -0.001 0.000 0.194 36 E C 2.051 178.628 176.600 -0.038 0.000 0.999 36 E CA 1.406 57.804 56.400 -0.002 0.000 0.811 36 E CB -0.153 29.539 29.700 -0.012 0.000 0.762 36 E HN 0.261 nan 8.360 nan 0.000 0.450 37 M N -0.344 119.220 119.600 -0.060 0.000 2.260 37 M HA -0.189 4.291 4.480 -0.001 0.000 0.261 37 M C 0.962 176.890 176.300 -0.621 0.000 1.066 37 M CA 1.616 56.736 55.300 -0.300 0.000 1.082 37 M CB -0.058 32.370 32.600 -0.286 0.000 1.388 37 M HN 0.192 nan 8.290 nan 0.000 0.419 38 Y N -3.011 117.290 120.300 0.002 0.000 2.563 38 Y HA 0.248 4.797 4.550 -0.001 0.000 0.250 38 Y C 2.208 178.109 175.900 0.002 0.000 1.126 38 Y CA -0.205 57.899 58.100 0.006 0.000 1.231 38 Y CB 0.076 38.541 38.460 0.009 0.000 1.288 38 Y HN 0.008 nan 8.280 nan 0.000 0.537 39 S N 0.427 116.181 115.700 0.091 0.000 2.400 39 S HA -0.209 4.260 4.470 -0.001 0.000 0.232 39 S C 2.222 176.844 174.600 0.036 0.000 1.025 39 S CA 1.513 59.745 58.200 0.054 0.000 0.993 39 S CB -0.150 63.066 63.200 0.026 0.000 0.808 39 S HN 0.550 nan 8.310 nan 0.000 0.478 40 A N 0.626 123.455 122.820 0.016 0.000 1.861 40 A HA 0.055 4.375 4.320 -0.001 0.000 0.212 40 A C 2.278 179.876 177.584 0.024 0.000 1.199 40 A CA 1.515 53.556 52.037 0.007 0.000 0.613 40 A CB -1.012 17.977 19.000 -0.017 0.000 0.846 40 A HN 0.521 nan 8.150 nan 0.000 0.446 41 S N 0.195 115.911 115.700 0.028 0.000 2.402 41 S HA -0.129 4.341 4.470 -0.001 0.000 0.233 41 S C 0.636 175.290 174.600 0.090 0.000 1.030 41 S CA 1.185 59.421 58.200 0.061 0.000 1.003 41 S CB -0.288 62.967 63.200 0.092 0.000 0.813 41 S HN 0.491 nan 8.310 nan 0.000 0.477 42 K N 0.135 120.596 120.400 0.102 0.000 3.257 42 K HA -0.130 4.190 4.320 -0.001 0.000 0.270 42 K C -2.258 174.408 176.600 0.111 0.000 0.984 42 K CA 0.824 57.164 56.287 0.088 0.000 0.739 42 K CB -1.561 30.976 32.500 0.060 0.000 1.351 42 K HN 0.414 nan 8.250 nan 0.000 0.463 43 P HA -0.118 nan 4.420 nan 0.000 0.236 43 P C 0.843 178.243 177.300 0.168 0.000 1.172 43 P CA 0.787 63.983 63.100 0.160 0.000 0.759 43 P CB 0.183 31.997 31.700 0.191 0.000 0.843 44 L N -1.642 119.631 121.223 0.083 0.000 2.857 44 L HA 0.202 4.542 4.340 -0.001 0.000 0.249 44 L C 0.944 177.771 176.870 -0.073 0.000 1.172 44 L CA -0.411 54.397 54.840 -0.052 0.000 0.980 44 L CB 0.048 42.002 42.059 -0.175 0.000 1.299 44 L HN -0.216 nan 8.230 nan 0.000 0.535 45 K N 0.917 121.387 120.400 0.116 0.000 2.485 45 K HA 0.126 4.445 4.320 -0.001 0.000 0.277 45 K C 1.215 177.960 176.600 0.241 0.000 0.990 45 K CA 1.017 57.372 56.287 0.114 0.000 0.994 45 K CB 0.636 33.211 32.500 0.125 0.000 0.906 45 K HN 0.311 nan 8.250 nan 0.000 0.488 46 G N 0.977 109.848 108.800 0.119 0.000 2.212 46 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.266 46 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.266 46 G C 0.211 175.065 174.900 -0.078 0.000 0.978 46 G CA 0.465 45.694 45.100 0.213 0.000 0.632 46 G HN 0.841 nan 8.290 nan 0.000 0.537 47 A N 0.157 122.523 122.820 -0.755 0.000 2.301 47 A HA 0.788 5.108 4.320 -0.001 0.000 0.298 47 A C 0.519 177.642 177.584 -0.768 0.000 1.185 47 A CA -0.272 50.819 52.037 -1.576 0.000 0.830 47 A CB 0.445 18.197 19.000 -2.080 0.000 1.112 47 A HN 0.409 nan 8.150 nan 0.000 0.508 48 R N 2.612 122.678 120.500 -0.724 0.000 2.287 48 R HA 0.378 4.717 4.340 -0.001 0.000 0.316 48 R C -1.157 174.795 176.300 -0.579 0.000 1.050 48 R CA -0.100 55.514 56.100 -0.810 0.000 0.983 48 R CB 0.832 30.258 30.300 -1.458 0.000 1.140 48 R HN 0.718 nan 8.270 nan 0.000 0.528 49 I N 2.081 122.504 120.570 -0.245 0.000 2.371 49 I HA 0.227 4.397 4.170 -0.001 0.000 0.290 49 I C 0.474 176.609 176.117 0.029 0.000 1.028 49 I CA -0.182 61.042 61.300 -0.126 0.000 1.345 49 I CB 1.571 39.519 38.000 -0.086 0.000 1.407 49 I HN 0.505 nan 8.210 nan 0.000 0.501 50 A N 5.692 128.447 122.820 -0.108 0.000 2.280 50 A HA 0.676 4.995 4.320 -0.001 0.000 0.320 50 A C 0.298 177.586 177.584 -0.493 0.000 1.366 50 A CA -0.430 51.499 52.037 -0.180 0.000 0.938 50 A CB 0.110 19.011 19.000 -0.165 0.000 1.157 50 A HN 0.830 nan 8.150 nan 0.000 0.536 51 G N 0.110 108.356 108.800 -0.923 0.000 2.348 51 G HA2 0.466 4.426 3.960 -0.001 0.000 0.312 51 G HA3 0.466 4.426 3.960 -0.001 0.000 0.312 51 G C -0.629 173.202 174.900 -1.781 0.000 1.126 51 G CA -0.323 43.592 45.100 -1.975 0.000 0.865 51 G HN 0.973 nan 8.290 nan 0.000 0.474 52 C N 4.451 123.096 119.300 -1.092 0.000 2.654 52 C HA 0.766 5.226 4.460 -0.001 0.000 0.315 52 C C -0.650 174.154 174.990 -0.310 0.000 1.054 52 C CA -0.686 57.955 59.018 -0.627 0.000 1.419 52 C CB -1.522 25.970 27.740 -0.413 0.000 1.889 52 C HN 0.695 nan 8.230 nan 0.000 0.447 53 L N 6.225 127.430 121.223 -0.030 0.000 2.526 53 L HA 0.496 4.836 4.340 -0.001 0.000 0.263 53 L C -0.357 176.664 176.870 0.251 0.000 0.943 53 L CA -0.401 54.540 54.840 0.168 0.000 0.859 53 L CB 1.547 43.828 42.059 0.371 0.000 1.313 53 L HN 0.650 nan 8.230 nan 0.000 0.406 54 H N 4.070 123.265 119.070 0.208 0.000 3.219 54 H HA -0.140 4.415 4.556 -0.001 0.000 0.283 54 H C 0.134 175.557 175.328 0.158 0.000 0.894 54 H CA 0.360 56.505 56.048 0.163 0.000 1.406 54 H CB 0.371 30.209 29.762 0.127 0.000 1.349 54 H HN 0.398 nan 8.280 nan 0.000 0.550 55 M N 4.844 124.571 119.600 0.212 0.000 2.557 55 M HA 0.068 4.548 4.480 -0.001 0.000 0.328 55 M C -0.017 176.303 176.300 0.034 0.000 1.423 55 M CA -0.228 55.130 55.300 0.097 0.000 1.418 55 M CB -0.575 32.073 32.600 0.079 0.000 1.381 55 M HN 0.671 nan 8.290 nan 0.000 0.467 56 T N 0.141 114.706 114.554 0.018 0.000 2.841 56 T HA 0.532 4.881 4.350 -0.001 0.000 0.276 56 T C 0.890 175.530 174.700 -0.099 0.000 1.003 56 T CA -0.775 61.311 62.100 -0.024 0.000 0.995 56 T CB 0.705 69.599 68.868 0.043 0.000 1.260 56 T HN 0.191 nan 8.240 nan 0.000 0.581 57 V N 0.966 120.811 119.914 -0.115 0.000 2.490 57 V HA -0.071 4.049 4.120 -0.001 0.000 0.250 57 V C 2.589 178.651 176.094 -0.053 0.000 1.061 57 V CA 2.017 64.237 62.300 -0.133 0.000 1.064 57 V CB -1.139 30.625 31.823 -0.098 0.000 0.670 57 V HN 0.845 nan 8.190 nan 0.000 0.461 58 E N -0.111 120.108 120.200 0.031 0.000 2.158 58 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 58 E C 2.290 179.015 176.600 0.207 0.000 0.982 58 E CA 1.339 57.821 56.400 0.135 0.000 0.823 58 E CB -0.463 29.331 29.700 0.156 0.000 0.766 58 E HN 0.531 nan 8.360 nan 0.000 0.468 59 T N 0.400 115.019 114.554 0.108 0.000 2.904 59 T HA -0.064 4.286 4.350 -0.001 0.000 0.267 59 T C 1.928 176.380 174.700 -0.415 0.000 1.059 59 T CA 1.008 62.984 62.100 -0.207 0.000 1.137 59 T CB -0.252 68.502 68.868 -0.191 0.000 0.879 59 T HN 0.258 nan 8.240 nan 0.000 0.467 60 A N 1.305 123.947 122.820 -0.297 0.000 1.883 60 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 60 A C 2.539 179.965 177.584 -0.263 0.000 1.186 60 A CA 1.544 53.391 52.037 -0.317 0.000 0.624 60 A CB -1.133 17.723 19.000 -0.240 0.000 0.822 60 A HN 0.355 nan 8.150 nan 0.000 0.444 61 V N -0.157 119.660 119.914 -0.162 0.000 2.469 61 V HA -0.227 3.892 4.120 -0.001 0.000 0.251 61 V C 2.465 178.469 176.094 -0.150 0.000 1.064 61 V CA 1.876 64.110 62.300 -0.110 0.000 1.066 61 V CB -0.845 30.961 31.823 -0.028 0.000 0.667 61 V HN 0.608 nan 8.190 nan 0.000 0.461 62 L N -0.033 121.046 121.223 -0.239 0.000 2.044 62 L HA -0.058 4.282 4.340 -0.001 0.000 0.205 62 L C 2.161 178.798 176.870 -0.389 0.000 1.075 62 L CA 1.772 56.404 54.840 -0.346 0.000 0.747 62 L CB -0.528 41.117 42.059 -0.690 0.000 0.903 62 L HN 0.183 nan 8.230 nan 0.000 0.435 63 I N -0.176 120.058 120.570 -0.561 0.000 2.163 63 I HA -0.311 3.858 4.170 -0.001 0.000 0.243 63 I C 2.360 178.309 176.117 -0.281 0.000 1.085 63 I CA 1.698 62.670 61.300 -0.547 0.000 1.347 63 I CB -0.344 37.238 38.000 -0.697 0.000 1.044 63 I HN 0.383 nan 8.210 nan 0.000 0.408 64 E N -0.157 119.902 120.200 -0.235 0.000 2.268 64 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 64 E C 1.966 178.500 176.600 -0.109 0.000 0.995 64 E CA 1.381 57.693 56.400 -0.148 0.000 0.836 64 E CB -0.079 29.545 29.700 -0.127 0.000 0.763 64 E HN 0.509 nan 8.360 nan 0.000 0.491 65 T N 1.045 115.526 114.554 -0.121 0.000 2.942 65 T HA 0.011 4.360 4.350 -0.001 0.000 0.265 65 T C 1.888 176.544 174.700 -0.073 0.000 1.062 65 T CA 0.453 62.504 62.100 -0.081 0.000 1.139 65 T CB 0.075 68.897 68.868 -0.077 0.000 0.883 65 T HN 0.089 nan 8.240 nan 0.000 0.468 66 L N 0.409 121.575 121.223 -0.096 0.000 2.179 66 L HA 0.027 4.366 4.340 -0.001 0.000 0.208 66 L C 2.540 179.371 176.870 -0.064 0.000 1.096 66 L CA 0.523 55.315 54.840 -0.079 0.000 0.779 66 L CB -0.429 41.592 42.059 -0.063 0.000 0.922 66 L HN 0.117 nan 8.230 nan 0.000 0.443 67 V N 0.167 120.044 119.914 -0.061 0.000 2.307 67 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 67 V C 2.750 178.826 176.094 -0.030 0.000 1.045 67 V CA 1.769 64.044 62.300 -0.042 0.000 1.024 67 V CB -0.668 31.125 31.823 -0.049 0.000 0.651 67 V HN 0.456 nan 8.190 nan 0.000 0.449 68 A N -0.412 122.390 122.820 -0.030 0.000 1.978 68 A HA -0.149 4.170 4.320 -0.001 0.000 0.220 68 A C 1.801 179.391 177.584 0.009 0.000 1.170 68 A CA 1.548 53.578 52.037 -0.010 0.000 0.636 68 A CB -0.469 18.525 19.000 -0.010 0.000 0.810 68 A HN 0.444 nan 8.150 nan 0.000 0.448 69 L N -0.099 121.127 121.223 0.005 0.000 2.660 69 L HA 0.269 4.609 4.340 -0.001 0.000 0.238 69 L C 1.216 178.092 176.870 0.009 0.000 1.161 69 L CA 0.622 55.479 54.840 0.028 0.000 0.937 69 L CB -1.130 40.932 42.059 0.005 0.000 1.122 69 L HN 0.535 nan 8.230 nan 0.000 0.435 70 G N 0.451 109.250 108.800 -0.001 0.000 2.402 70 G HA2 0.111 4.071 3.960 -0.001 0.000 0.241 70 G HA3 0.111 4.071 3.960 -0.001 0.000 0.241 70 G C -0.028 174.846 174.900 -0.044 0.000 0.871 70 G CA 0.206 45.303 45.100 -0.006 0.000 1.232 70 G HN 0.773 nan 8.290 nan 0.000 0.369 71 A N 1.763 124.548 122.820 -0.058 0.000 2.605 71 A HA 0.774 5.094 4.320 -0.001 0.000 0.294 71 A C -0.411 177.148 177.584 -0.041 0.000 1.062 71 A CA -0.646 51.323 52.037 -0.113 0.000 0.682 71 A CB 1.388 20.275 19.000 -0.188 0.000 1.278 71 A HN 0.476 nan 8.150 nan 0.000 0.410 72 E N 0.364 120.553 120.200 -0.019 0.000 2.266 72 E HA 0.596 4.945 4.350 -0.001 0.000 0.277 72 E C -0.986 175.775 176.600 0.269 0.000 1.018 72 E CA -0.110 56.388 56.400 0.163 0.000 0.840 72 E CB 1.755 31.637 29.700 0.303 0.000 1.082 72 E HN 0.493 nan 8.360 nan 0.000 0.395 73 V N 3.512 123.588 119.914 0.269 0.000 2.841 73 V HA 0.491 4.610 4.120 -0.001 0.000 0.310 73 V C -0.400 175.787 176.094 0.154 0.000 1.090 73 V CA -0.817 61.646 62.300 0.271 0.000 0.930 73 V CB 2.407 34.366 31.823 0.228 0.000 1.014 73 V HN 0.521 nan 8.190 nan 0.000 0.425 74 R N 2.511 123.099 120.500 0.147 0.000 2.502 74 R HA 0.438 4.777 4.340 -0.001 0.000 0.300 74 R C -1.626 174.745 176.300 0.118 0.000 0.984 74 R CA -0.357 55.750 56.100 0.011 0.000 0.882 74 R CB 1.640 31.752 30.300 -0.312 0.000 1.180 74 R HN 0.758 nan 8.270 nan 0.000 0.444 75 W N 1.953 123.239 121.300 -0.023 0.000 2.647 75 W HA 0.538 5.197 4.660 -0.000 0.000 0.353 75 W C -0.698 175.816 176.519 -0.009 0.000 1.080 75 W CA -0.345 56.974 57.345 -0.044 0.000 1.208 75 W CB 2.312 31.728 29.460 -0.073 0.000 1.396 75 W HN 0.604 nan 8.180 nan 0.000 0.573 76 S N 0.899 116.576 115.700 -0.039 0.000 2.543 76 S HA 0.222 4.692 4.470 -0.001 0.000 0.273 76 S C -0.817 173.729 174.600 -0.090 0.000 1.152 76 S CA -0.779 57.378 58.200 -0.071 0.000 0.910 76 S CB 1.573 64.610 63.200 -0.271 0.000 1.105 76 S HN 0.367 nan 8.310 nan 0.000 0.465 77 S N 0.498 116.181 115.700 -0.028 0.000 2.562 77 S HA 0.171 4.641 4.470 -0.001 0.000 0.281 77 S C 1.484 176.028 174.600 -0.093 0.000 1.333 77 S CA -0.190 58.014 58.200 0.006 0.000 1.052 77 S CB -0.172 63.054 63.200 0.044 0.000 0.884 77 S HN 1.421 nan 8.310 nan 0.000 0.506 78 C N 3.829 123.073 119.300 -0.093 0.000 2.576 78 C HA 0.399 4.858 4.460 -0.001 0.000 0.267 78 C C 0.687 175.793 174.990 0.193 0.000 1.364 78 C CA -0.774 58.231 59.018 -0.021 0.000 1.723 78 C CB -1.829 25.799 27.740 -0.187 0.000 1.778 78 C HN 0.766 nan 8.230 nan 0.000 0.572 79 N N 0.867 119.657 118.700 0.149 0.000 2.229 79 N HA 0.386 5.126 4.740 -0.001 0.000 0.298 79 N C 0.529 176.106 175.510 0.112 0.000 1.114 79 N CA -0.550 52.590 53.050 0.150 0.000 0.776 79 N CB 1.663 40.309 38.487 0.265 0.000 1.501 79 N HN 0.405 nan 8.380 nan 0.000 0.474 80 I N -1.206 119.310 120.570 -0.089 0.000 2.928 80 I HA 0.139 4.308 4.170 -0.001 0.000 0.266 80 I C 0.201 176.085 176.117 -0.388 0.000 1.234 80 I CA 0.801 61.919 61.300 -0.304 0.000 1.483 80 I CB -0.125 37.517 38.000 -0.598 0.000 1.097 80 I HN 0.175 nan 8.210 nan 0.000 0.455 81 F N 1.345 121.363 119.950 0.114 0.000 2.712 81 F HA 0.153 4.680 4.527 -0.001 0.000 0.297 81 F C 2.722 178.598 175.800 0.127 0.000 1.114 81 F CA 0.479 58.550 58.000 0.118 0.000 1.305 81 F CB -0.387 38.674 39.000 0.102 0.000 1.086 81 F HN 0.077 nan 8.300 nan 0.000 0.599 82 S N -0.771 115.121 115.700 0.319 0.000 2.469 82 S HA -0.088 4.382 4.470 -0.001 0.000 0.238 82 S C 1.021 175.743 174.600 0.205 0.000 0.998 82 S CA 0.621 58.977 58.200 0.261 0.000 0.957 82 S CB -1.332 62.118 63.200 0.417 0.000 0.764 82 S HN 0.176 nan 8.310 nan 0.000 0.514 83 T N 2.802 117.467 114.554 0.185 0.000 2.932 83 T HA 0.144 4.494 4.350 -0.001 0.000 0.312 83 T C -0.139 174.633 174.700 0.121 0.000 1.071 83 T CA 0.191 62.371 62.100 0.134 0.000 1.128 83 T CB 0.499 69.433 68.868 0.110 0.000 0.984 83 T HN 0.438 nan 8.240 nan 0.000 0.549 84 Q N 1.652 121.484 119.800 0.053 0.000 2.558 84 Q HA 0.155 4.495 4.340 -0.001 0.000 0.252 84 Q C 0.094 176.070 176.000 -0.040 0.000 1.015 84 Q CA -0.609 55.205 55.803 0.019 0.000 0.720 84 Q CB 1.173 29.859 28.738 -0.087 0.000 1.215 84 Q HN 0.562 nan 8.270 nan 0.000 0.500 85 D N 1.299 121.749 120.400 0.083 0.000 2.218 85 D HA -0.265 4.374 4.640 -0.001 0.000 0.194 85 D C 1.702 178.008 176.300 0.009 0.000 1.007 85 D CA 1.819 55.873 54.000 0.091 0.000 0.879 85 D CB 0.137 41.034 40.800 0.161 0.000 0.918 85 D HN 0.684 nan 8.370 nan 0.000 0.449 86 H N -0.490 118.461 119.070 -0.198 0.000 2.470 86 H HA 0.283 4.838 4.556 -0.001 0.000 0.289 86 H C 1.838 176.997 175.328 -0.283 0.000 1.033 86 H CA 1.190 57.045 56.048 -0.321 0.000 1.331 86 H CB -0.329 28.940 29.762 -0.822 0.000 1.414 86 H HN 0.095 nan 8.280 nan 0.000 0.545 87 A N 1.868 124.190 122.820 -0.830 0.000 1.872 87 A HA 0.134 4.454 4.320 -0.001 0.000 0.214 87 A C 2.744 180.140 177.584 -0.313 0.000 1.187 87 A CA 1.662 53.339 52.037 -0.601 0.000 0.614 87 A CB -1.031 17.650 19.000 -0.532 0.000 0.826 87 A HN 0.550 nan 8.150 nan 0.000 0.442 88 A N -0.160 122.531 122.820 -0.215 0.000 2.019 88 A HA 0.205 4.525 4.320 -0.001 0.000 0.219 88 A C 2.412 179.915 177.584 -0.134 0.000 1.164 88 A CA 1.880 53.839 52.037 -0.129 0.000 0.644 88 A CB -0.867 18.118 19.000 -0.026 0.000 0.805 88 A HN 0.949 nan 8.150 nan 0.000 0.449 89 A N 0.243 122.991 122.820 -0.119 0.000 1.845 89 A HA 0.114 4.433 4.320 -0.001 0.000 0.215 89 A C 2.569 180.063 177.584 -0.150 0.000 1.195 89 A CA 2.386 54.362 52.037 -0.101 0.000 0.616 89 A CB -1.350 17.630 19.000 -0.034 0.000 0.832 89 A HN 1.147 nan 8.150 nan 0.000 0.443 90 A N 0.090 122.823 122.820 -0.144 0.000 1.869 90 A HA -0.232 4.087 4.320 -0.001 0.000 0.218 90 A C 2.122 179.604 177.584 -0.171 0.000 1.203 90 A CA 1.966 53.919 52.037 -0.139 0.000 0.638 90 A CB -0.945 17.972 19.000 -0.139 0.000 0.831 90 A HN 0.552 nan 8.150 nan 0.000 0.450 91 I N -0.420 120.033 120.570 -0.195 0.000 2.315 91 I HA -0.331 3.838 4.170 -0.001 0.000 0.251 91 I C 2.873 178.845 176.117 -0.242 0.000 1.125 91 I CA 1.038 62.215 61.300 -0.206 0.000 1.392 91 I CB -0.389 37.479 38.000 -0.220 0.000 1.065 91 I HN 0.428 nan 8.210 nan 0.000 0.424 92 A N 0.490 123.117 122.820 -0.321 0.000 1.840 92 A HA -0.174 4.146 4.320 -0.001 0.000 0.214 92 A C 2.338 179.621 177.584 -0.501 0.000 1.198 92 A CA 1.208 52.903 52.037 -0.569 0.000 0.608 92 A CB -0.463 18.044 19.000 -0.822 0.000 0.839 92 A HN 0.127 nan 8.150 nan 0.000 0.443 93 K N 0.155 120.339 120.400 -0.360 0.000 2.228 93 K HA -0.137 4.182 4.320 -0.001 0.000 0.205 93 K C 1.792 178.299 176.600 -0.156 0.000 1.045 93 K CA 1.270 57.426 56.287 -0.218 0.000 0.931 93 K CB -0.549 31.872 32.500 -0.132 0.000 0.727 93 K HN 0.443 nan 8.250 nan 0.000 0.458 94 A N -0.007 122.716 122.820 -0.161 0.000 2.239 94 A HA 0.138 4.457 4.320 -0.001 0.000 0.209 94 A C 1.033 178.557 177.584 -0.100 0.000 1.171 94 A CA 1.000 52.967 52.037 -0.115 0.000 0.768 94 A CB -0.450 18.478 19.000 -0.120 0.000 0.790 94 A HN 0.384 nan 8.150 nan 0.000 0.478 95 G N -0.778 107.951 108.800 -0.119 0.000 2.298 95 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.287 95 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.287 95 G C -0.183 174.681 174.900 -0.060 0.000 1.075 95 G CA 0.453 45.513 45.100 -0.068 0.000 0.960 95 G HN 0.533 nan 8.290 nan 0.000 0.502 96 I N 0.278 120.787 120.570 -0.101 0.000 2.499 96 I HA 0.312 4.481 4.170 -0.001 0.000 0.288 96 I C -2.338 173.731 176.117 -0.080 0.000 1.048 96 I CA -2.752 58.502 61.300 -0.077 0.000 1.062 96 I CB 2.714 40.657 38.000 -0.094 0.000 1.238 96 I HN -0.148 nan 8.210 nan 0.000 0.426 97 P HA 0.108 nan 4.420 nan 0.000 0.264 97 P C -1.060 176.204 177.300 -0.058 0.000 1.229 97 P CA 0.063 63.136 63.100 -0.044 0.000 0.780 97 P CB 0.364 32.099 31.700 0.058 0.000 0.808 98 V N 4.950 124.691 119.914 -0.288 0.000 2.638 98 V HA 0.432 4.552 4.120 -0.001 0.000 0.306 98 V C -0.463 175.393 176.094 -0.397 0.000 1.052 98 V CA -0.364 61.847 62.300 -0.149 0.000 0.885 98 V CB 1.678 33.450 31.823 -0.085 0.000 0.999 98 V HN 0.295 nan 8.190 nan 0.000 0.424 99 F N 3.186 123.175 119.950 0.065 0.000 2.550 99 F HA 0.804 5.331 4.527 -0.001 0.000 0.348 99 F C 0.424 176.211 175.800 -0.021 0.000 1.219 99 F CA -0.301 57.748 58.000 0.083 0.000 1.203 99 F CB 1.337 40.273 39.000 -0.107 0.000 1.436 99 F HN 0.596 nan 8.300 nan 0.000 0.541 100 A N 1.863 124.778 122.820 0.159 0.000 2.515 100 A HA 0.917 5.236 4.320 -0.001 0.000 0.298 100 A C -1.892 175.831 177.584 0.231 0.000 1.059 100 A CA -0.721 51.326 52.037 0.017 0.000 0.698 100 A CB 1.580 20.610 19.000 0.050 0.000 1.289 100 A HN 0.665 nan 8.150 nan 0.000 0.404 101 W N 0.656 122.032 121.300 0.126 0.000 3.161 101 W HA 0.673 5.332 4.660 -0.001 0.000 0.314 101 W C -1.033 175.557 176.519 0.119 0.000 1.245 101 W CA -0.961 56.452 57.345 0.114 0.000 1.191 101 W CB 0.350 29.880 29.460 0.118 0.000 1.392 101 W HN 0.742 nan 8.180 nan 0.000 0.568 102 K N 1.576 122.236 120.400 0.434 0.000 2.380 102 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 102 K C 1.064 177.905 176.600 0.402 0.000 0.990 102 K CA 1.054 57.552 56.287 0.352 0.000 0.946 102 K CB 0.249 32.950 32.500 0.334 0.000 0.937 102 K HN 1.423 nan 8.250 nan 0.000 0.491 103 G N 3.520 112.483 108.800 0.270 0.000 2.121 103 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.237 103 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.237 103 G C -0.384 174.620 174.900 0.173 0.000 0.628 103 G CA 0.977 46.117 45.100 0.068 0.000 1.062 103 G HN 0.644 nan 8.290 nan 0.000 0.350 104 E N 0.558 120.761 120.200 0.006 0.000 2.254 104 E HA 0.669 5.018 4.350 -0.001 0.000 0.261 104 E C 0.585 177.242 176.600 0.095 0.000 1.051 104 E CA -0.489 56.061 56.400 0.250 0.000 0.902 104 E CB 0.969 30.552 29.700 -0.196 0.000 1.168 104 E HN 0.415 nan 8.360 nan 0.000 0.423 105 T N -1.382 113.285 114.554 0.189 0.000 2.913 105 T HA 0.076 4.426 4.350 -0.001 0.000 0.287 105 T C 0.666 175.423 174.700 0.096 0.000 1.008 105 T CA -0.646 61.520 62.100 0.111 0.000 1.067 105 T CB 0.993 69.936 68.868 0.124 0.000 0.996 105 T HN 0.371 nan 8.240 nan 0.000 0.513 106 D N 1.453 121.881 120.400 0.048 0.000 2.172 106 D HA -0.153 4.486 4.640 -0.001 0.000 0.196 106 D C 1.732 178.108 176.300 0.127 0.000 0.999 106 D CA 1.699 55.727 54.000 0.046 0.000 0.856 106 D CB 0.053 40.861 40.800 0.012 0.000 0.934 106 D HN 0.776 nan 8.370 nan 0.000 0.453 107 E N 0.700 120.973 120.200 0.122 0.000 2.107 107 E HA -0.097 4.253 4.350 -0.001 0.000 0.191 107 E C 2.057 178.786 176.600 0.215 0.000 0.982 107 E CA 0.632 57.118 56.400 0.143 0.000 0.809 107 E CB -0.035 29.726 29.700 0.101 0.000 0.756 107 E HN 0.402 nan 8.360 nan 0.000 0.459 108 E N -0.134 120.205 120.200 0.232 0.000 2.047 108 E HA -0.198 4.151 4.350 -0.001 0.000 0.191 108 E C 1.760 178.522 176.600 0.270 0.000 0.987 108 E CA 0.860 57.458 56.400 0.330 0.000 0.799 108 E CB -0.227 29.728 29.700 0.425 0.000 0.752 108 E HN 0.273 nan 8.360 nan 0.000 0.449 109 Y N 2.184 122.492 120.300 0.013 0.000 1.993 109 Y HA -0.319 4.231 4.550 -0.001 0.000 0.267 109 Y C 2.313 178.200 175.900 -0.021 0.000 1.155 109 Y CA 1.710 59.763 58.100 -0.078 0.000 1.105 109 Y CB -0.562 37.843 38.460 -0.092 0.000 0.960 109 Y HN 0.026 nan 8.280 nan 0.000 0.486 110 L N -0.330 121.018 121.223 0.208 0.000 2.064 110 L HA -0.307 4.033 4.340 -0.001 0.000 0.216 110 L C 2.276 179.153 176.870 0.011 0.000 1.077 110 L CA 2.828 57.721 54.840 0.089 0.000 0.766 110 L CB -1.299 40.855 42.059 0.158 0.000 0.890 110 L HN 0.724 nan 8.230 nan 0.000 0.435 111 W N 0.572 121.843 121.300 -0.048 0.000 2.333 111 W HA -0.248 4.412 4.660 -0.001 0.000 0.316 111 W C 2.828 179.251 176.519 -0.160 0.000 1.215 111 W CA 2.411 59.721 57.345 -0.058 0.000 1.278 111 W CB -0.890 28.588 29.460 0.031 0.000 1.154 111 W HN 0.258 nan 8.180 nan 0.000 0.486 112 C N 0.505 119.710 119.300 -0.157 0.000 2.376 112 C HA -0.283 4.177 4.460 -0.001 0.000 0.275 112 C C 2.746 177.391 174.990 -0.576 0.000 1.200 112 C CA 1.598 60.379 59.018 -0.396 0.000 1.756 112 C CB -1.570 26.005 27.740 -0.274 0.000 2.050 112 C HN 0.412 nan 8.230 nan 0.000 0.460 113 I N 0.792 121.054 120.570 -0.513 0.000 2.118 113 I HA -0.272 3.898 4.170 -0.001 0.000 0.241 113 I C 2.571 178.402 176.117 -0.478 0.000 1.070 113 I CA 1.838 62.849 61.300 -0.481 0.000 1.327 113 I CB -0.663 37.087 38.000 -0.417 0.000 1.034 113 I HN 0.492 nan 8.210 nan 0.000 0.405 114 E N 0.340 120.265 120.200 -0.458 0.000 2.160 114 E HA -0.258 4.091 4.350 -0.001 0.000 0.195 114 E C 1.963 178.208 176.600 -0.592 0.000 0.991 114 E CA 0.886 57.023 56.400 -0.437 0.000 0.810 114 E CB -0.278 29.231 29.700 -0.318 0.000 0.742 114 E HN 0.560 nan 8.360 nan 0.000 0.466 115 Q N 0.019 119.259 119.800 -0.933 0.000 2.508 115 Q HA -0.076 4.263 4.340 -0.001 0.000 0.214 115 Q C 1.965 177.416 176.000 -0.915 0.000 0.979 115 Q CA 1.446 56.503 55.803 -1.244 0.000 0.911 115 Q CB -0.430 26.764 28.738 -2.573 0.000 0.969 115 Q HN 0.447 nan 8.270 nan 0.000 0.504 116 T N -3.785 110.397 114.554 -0.620 0.000 3.040 116 T HA 0.221 4.570 4.350 -0.001 0.000 0.250 116 T C 1.827 176.377 174.700 -0.251 0.000 1.058 116 T CA -0.218 61.653 62.100 -0.382 0.000 0.988 116 T CB -0.039 68.650 68.868 -0.299 0.000 0.993 116 T HN 0.068 nan 8.240 nan 0.000 0.519 117 L N 0.249 121.277 121.223 -0.326 0.000 2.056 117 L HA 0.075 4.414 4.340 -0.001 0.000 0.207 117 L C 1.102 177.737 176.870 -0.392 0.000 1.078 117 L CA 0.996 55.610 54.840 -0.378 0.000 0.749 117 L CB -0.317 41.415 42.059 -0.545 0.000 0.901 117 L HN 0.405 nan 8.230 nan 0.000 0.433 118 H N -1.430 117.608 119.070 -0.054 0.000 2.466 118 H HA 0.341 4.896 4.556 -0.001 0.000 0.338 118 H C -0.738 174.655 175.328 0.110 0.000 1.091 118 H CA -0.634 55.457 56.048 0.073 0.000 1.207 118 H CB 1.551 31.290 29.762 -0.038 0.000 1.466 118 H HN -0.177 nan 8.280 nan 0.000 0.493 119 F N 0.989 120.964 119.950 0.041 0.000 2.535 119 F HA 0.192 4.719 4.527 -0.001 0.000 0.367 119 F C 1.398 177.222 175.800 0.039 0.000 1.096 119 F CA -1.126 56.888 58.000 0.023 0.000 1.088 119 F CB 0.656 39.652 39.000 -0.007 0.000 1.387 119 F HN 0.358 nan 8.300 nan 0.000 0.494 120 K N -0.821 119.713 120.400 0.223 0.000 2.437 120 K HA 0.234 4.554 4.320 -0.001 0.000 0.198 120 K C -0.532 176.139 176.600 0.118 0.000 1.024 120 K CA 0.533 56.896 56.287 0.128 0.000 1.148 120 K CB -0.216 32.335 32.500 0.085 0.000 0.860 120 K HN 0.320 nan 8.250 nan 0.000 0.515 121 D N 0.382 120.870 120.400 0.146 0.000 2.556 121 D HA 0.210 4.849 4.640 -0.001 0.000 0.237 121 D C 0.368 176.714 176.300 0.076 0.000 1.296 121 D CA 0.291 54.344 54.000 0.089 0.000 0.807 121 D CB 1.110 41.952 40.800 0.070 0.000 1.084 121 D HN 0.322 nan 8.370 nan 0.000 0.510 122 G N 1.949 110.820 108.800 0.119 0.000 2.331 122 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.479 122 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.479 122 G C -3.087 171.915 174.900 0.169 0.000 1.262 122 G CA -0.972 44.200 45.100 0.120 0.000 1.029 122 G HN -0.103 nan 8.290 nan 0.000 0.487 123 P HA 0.528 nan 4.420 nan 0.000 0.282 123 P C 0.679 177.856 177.300 -0.204 0.000 1.287 123 P CA -0.673 62.403 63.100 -0.040 0.000 0.792 123 P CB 0.460 32.083 31.700 -0.128 0.000 1.163 124 L N -0.796 120.266 121.223 -0.268 0.000 2.482 124 L HA 0.280 4.619 4.340 -0.001 0.000 0.273 124 L C 0.493 177.208 176.870 -0.259 0.000 1.228 124 L CA -0.108 54.510 54.840 -0.370 0.000 0.827 124 L CB -0.475 41.450 42.059 -0.224 0.000 1.099 124 L HN 0.371 nan 8.230 nan 0.000 0.494 125 N N 0.166 118.704 118.700 -0.270 0.000 2.118 125 N HA 0.310 5.050 4.740 -0.001 0.000 0.226 125 N C -0.576 174.890 175.510 -0.073 0.000 1.305 125 N CA -0.253 52.735 53.050 -0.102 0.000 0.890 125 N CB 0.730 39.223 38.487 0.010 0.000 1.118 125 N HN 0.456 nan 8.380 nan 0.000 0.511 126 M N 0.888 120.385 119.600 -0.172 0.000 2.413 126 M HA 0.445 4.925 4.480 -0.001 0.000 0.287 126 M C -1.671 174.534 176.300 -0.158 0.000 1.186 126 M CA -0.525 54.688 55.300 -0.146 0.000 0.927 126 M CB 2.361 34.824 32.600 -0.229 0.000 1.715 126 M HN -0.019 nan 8.290 nan 0.000 0.478 127 I N 3.107 123.599 120.570 -0.131 0.000 2.436 127 I HA 0.491 4.661 4.170 -0.001 0.000 0.289 127 I C -0.906 175.115 176.117 -0.160 0.000 1.010 127 I CA -0.681 60.525 61.300 -0.156 0.000 1.098 127 I CB 2.357 40.282 38.000 -0.125 0.000 1.266 127 I HN 0.528 nan 8.210 nan 0.000 0.434 128 L N 6.256 127.342 121.223 -0.227 0.000 2.337 128 L HA 0.489 4.829 4.340 -0.001 0.000 0.269 128 L C -1.257 175.471 176.870 -0.236 0.000 1.018 128 L CA -0.238 54.479 54.840 -0.204 0.000 0.876 128 L CB 0.704 42.629 42.059 -0.223 0.000 1.236 128 L HN 0.531 nan 8.230 nan 0.000 0.436 129 D N 2.395 122.712 120.400 -0.139 0.000 2.252 129 D HA 0.238 4.878 4.640 -0.001 0.000 0.245 129 D C -0.706 175.576 176.300 -0.031 0.000 1.009 129 D CA -0.104 53.827 54.000 -0.114 0.000 0.870 129 D CB 2.384 43.128 40.800 -0.094 0.000 1.251 129 D HN 0.490 nan 8.370 nan 0.000 0.460 130 D N 0.985 121.375 120.400 -0.017 0.000 2.623 130 D HA 0.286 4.925 4.640 -0.001 0.000 0.252 130 D C 0.495 176.844 176.300 0.081 0.000 1.294 130 D CA -0.091 53.942 54.000 0.054 0.000 0.824 130 D CB 0.564 41.408 40.800 0.074 0.000 1.070 130 D HN 0.616 nan 8.370 nan 0.000 0.487 131 G N -0.951 107.891 108.800 0.070 0.000 4.474 131 G HA2 0.136 4.096 3.960 -0.001 0.000 0.202 131 G HA3 0.136 4.096 3.960 -0.001 0.000 0.202 131 G C 1.002 175.952 174.900 0.084 0.000 0.708 131 G CA 0.278 45.449 45.100 0.117 0.000 0.806 131 G HN 0.350 nan 8.290 nan 0.000 0.508 132 G N 0.714 109.530 108.800 0.027 0.000 2.176 132 G HA2 -0.299 3.661 3.960 -0.001 0.000 0.253 132 G HA3 -0.299 3.661 3.960 -0.001 0.000 0.253 132 G C 0.711 175.602 174.900 -0.015 0.000 0.979 132 G CA 1.181 46.278 45.100 -0.004 0.000 0.641 132 G HN 0.552 nan 8.290 nan 0.000 0.530 133 D N -0.112 120.291 120.400 0.006 0.000 2.144 133 D HA 0.029 4.668 4.640 -0.001 0.000 0.200 133 D C 2.320 178.596 176.300 -0.040 0.000 0.978 133 D CA 0.742 54.754 54.000 0.020 0.000 0.833 133 D CB 0.051 40.913 40.800 0.105 0.000 0.961 133 D HN 0.320 nan 8.370 nan 0.000 0.470 134 L N 0.803 121.969 121.223 -0.095 0.000 2.156 134 L HA -0.068 4.271 4.340 -0.001 0.000 0.208 134 L C 1.574 178.380 176.870 -0.106 0.000 1.095 134 L CA 1.585 56.340 54.840 -0.141 0.000 0.770 134 L CB -0.738 41.194 42.059 -0.211 0.000 0.914 134 L HN 0.083 nan 8.230 nan 0.000 0.439 135 T N 0.151 114.641 114.554 -0.105 0.000 2.698 135 T HA -0.115 4.235 4.350 -0.001 0.000 0.260 135 T C 1.616 176.238 174.700 -0.131 0.000 1.044 135 T CA 1.654 63.670 62.100 -0.141 0.000 1.149 135 T CB -0.196 68.562 68.868 -0.184 0.000 0.864 135 T HN 0.404 nan 8.240 nan 0.000 0.419 136 N N 1.084 119.730 118.700 -0.090 0.000 2.000 136 N HA -0.114 4.626 4.740 -0.001 0.000 0.198 136 N C 1.750 177.273 175.510 0.022 0.000 1.057 136 N CA 1.161 54.190 53.050 -0.035 0.000 0.858 136 N CB -0.435 38.047 38.487 -0.010 0.000 1.057 136 N HN 0.071 nan 8.380 nan 0.000 0.423 137 L N 1.446 122.681 121.223 0.020 0.000 2.054 137 L HA -0.259 4.081 4.340 -0.001 0.000 0.220 137 L C 1.765 178.693 176.870 0.097 0.000 1.081 137 L CA 1.670 56.538 54.840 0.047 0.000 0.780 137 L CB -0.598 41.479 42.059 0.030 0.000 0.893 137 L HN 0.318 nan 8.230 nan 0.000 0.438 138 I N -1.932 118.700 120.570 0.103 0.000 2.090 138 I HA -0.338 3.832 4.170 -0.001 0.000 0.236 138 I C 2.421 178.644 176.117 0.176 0.000 1.064 138 I CA 1.487 62.884 61.300 0.163 0.000 1.324 138 I CB -0.746 37.321 38.000 0.110 0.000 1.044 138 I HN 0.326 nan 8.210 nan 0.000 0.399 139 H N 0.530 119.607 119.070 0.010 0.000 2.437 139 H HA -0.196 4.360 4.556 -0.001 0.000 0.296 139 H C 2.261 177.584 175.328 -0.010 0.000 1.121 139 H CA 2.179 58.228 56.048 0.001 0.000 1.255 139 H CB -0.392 29.369 29.762 -0.001 0.000 1.366 139 H HN 0.472 nan 8.280 nan 0.000 0.512 140 T N -3.514 111.102 114.554 0.102 0.000 3.040 140 T HA 0.173 4.523 4.350 -0.001 0.000 0.250 140 T C 1.317 175.985 174.700 -0.053 0.000 1.058 140 T CA 0.067 62.180 62.100 0.022 0.000 0.988 140 T CB 0.539 69.422 68.868 0.026 0.000 0.993 140 T HN 0.241 nan 8.240 nan 0.000 0.519 141 K N -0.457 119.875 120.400 -0.113 0.000 2.529 141 K HA 0.197 4.517 4.320 -0.001 0.000 0.215 141 K C 0.195 176.393 176.600 -0.670 0.000 1.286 141 K CA -0.180 55.901 56.287 -0.343 0.000 0.997 141 K CB 0.766 33.043 32.500 -0.372 0.000 1.063 141 K HN 0.330 nan 8.250 nan 0.000 0.590 142 H N -0.214 118.861 119.070 0.007 0.000 2.637 142 H HA 0.189 4.744 4.556 -0.001 0.000 0.245 142 H C -2.168 173.155 175.328 -0.008 0.000 1.190 142 H CA -1.541 54.510 56.048 0.005 0.000 0.934 142 H CB 0.763 30.523 29.762 -0.004 0.000 1.950 142 H HN -0.052 nan 8.280 nan 0.000 0.614 143 P HA -0.255 nan 4.420 nan 0.000 0.219 143 P C 1.487 178.785 177.300 -0.003 0.000 1.153 143 P CA 1.584 64.671 63.100 -0.022 0.000 0.865 143 P CB 0.447 32.120 31.700 -0.045 0.000 0.788 144 Q N -0.237 119.581 119.800 0.030 0.000 2.012 144 Q HA -0.202 4.138 4.340 -0.001 0.000 0.211 144 Q C 2.196 178.212 176.000 0.027 0.000 1.009 144 Q CA 1.694 57.518 55.803 0.034 0.000 0.866 144 Q CB -1.758 27.020 28.738 0.067 0.000 0.945 144 Q HN 0.280 nan 8.270 nan 0.000 0.414 145 L N -0.083 121.167 121.223 0.044 0.000 2.263 145 L HA -0.206 4.134 4.340 -0.001 0.000 0.216 145 L C 2.044 178.910 176.870 -0.006 0.000 1.111 145 L CA 0.459 55.306 54.840 0.012 0.000 0.773 145 L CB -0.839 41.209 42.059 -0.019 0.000 0.906 145 L HN 0.227 nan 8.230 nan 0.000 0.439 146 L N 0.015 121.232 121.223 -0.010 0.000 1.978 146 L HA -0.272 4.067 4.340 -0.001 0.000 0.218 146 L C 2.695 179.555 176.870 -0.017 0.000 1.075 146 L CA 2.217 57.041 54.840 -0.026 0.000 0.767 146 L CB -1.466 40.537 42.059 -0.092 0.000 0.890 146 L HN 0.328 nan 8.230 nan 0.000 0.434 147 S N -0.267 115.421 115.700 -0.020 0.000 2.462 147 S HA -0.134 4.336 4.470 -0.001 0.000 0.243 147 S C 1.786 176.383 174.600 -0.006 0.000 1.003 147 S CA 1.021 59.214 58.200 -0.013 0.000 0.970 147 S CB -0.488 62.705 63.200 -0.013 0.000 0.762 147 S HN 0.660 nan 8.310 nan 0.000 0.510 148 G N 0.299 109.096 108.800 -0.005 0.000 2.838 148 G HA2 0.274 4.234 3.960 -0.001 0.000 0.210 148 G HA3 0.274 4.234 3.960 -0.001 0.000 0.210 148 G C 0.365 175.266 174.900 0.002 0.000 1.153 148 G CA -0.289 44.809 45.100 -0.003 0.000 0.778 148 G HN 0.420 nan 8.290 nan 0.000 0.539 149 I N 0.306 120.877 120.570 0.001 0.000 2.365 149 I HA 0.309 4.479 4.170 -0.001 0.000 0.291 149 I C 1.417 177.556 176.117 0.036 0.000 1.004 149 I CA -0.527 60.779 61.300 0.010 0.000 1.311 149 I CB 2.002 40.003 38.000 0.003 0.000 1.401 149 I HN -0.032 nan 8.210 nan 0.000 0.491 150 R N 3.907 124.451 120.500 0.073 0.000 2.112 150 R HA 0.235 4.574 4.340 -0.001 0.000 0.216 150 R C 0.632 176.965 176.300 0.055 0.000 1.080 150 R CA 0.533 56.680 56.100 0.078 0.000 0.996 150 R CB 0.396 30.793 30.300 0.162 0.000 0.902 150 R HN 0.883 nan 8.270 nan 0.000 0.449 151 G N -0.457 108.368 108.800 0.043 0.000 2.649 151 G HA2 0.547 4.507 3.960 -0.001 0.000 0.290 151 G HA3 0.547 4.507 3.960 -0.001 0.000 0.290 151 G C -1.600 173.286 174.900 -0.023 0.000 1.426 151 G CA -0.751 44.352 45.100 0.004 0.000 0.794 151 G HN 0.063 nan 8.290 nan 0.000 0.483 152 I N 0.672 121.221 120.570 -0.035 0.000 2.619 152 I HA 0.484 4.654 4.170 -0.001 0.000 0.292 152 I C -0.393 175.693 176.117 -0.052 0.000 1.100 152 I CA -0.944 60.326 61.300 -0.051 0.000 1.043 152 I CB 2.729 40.701 38.000 -0.046 0.000 1.239 152 I HN 0.546 nan 8.210 nan 0.000 0.420 153 S N 3.680 119.346 115.700 -0.057 0.000 2.707 153 S HA 0.536 5.005 4.470 -0.001 0.000 0.312 153 S C -0.798 173.789 174.600 -0.021 0.000 1.116 153 S CA -0.829 57.349 58.200 -0.037 0.000 1.078 153 S CB 1.712 64.887 63.200 -0.042 0.000 0.997 153 S HN 0.481 nan 8.310 nan 0.000 0.477 154 E N 1.369 121.568 120.200 -0.000 0.000 2.222 154 E HA 0.341 4.690 4.350 -0.001 0.000 0.272 154 E C -0.043 176.584 176.600 0.046 0.000 0.982 154 E CA -0.352 56.060 56.400 0.020 0.000 0.842 154 E CB 1.719 31.435 29.700 0.026 0.000 1.144 154 E HN 0.911 nan 8.360 nan 0.000 0.397 155 E N 1.024 121.263 120.200 0.065 0.000 2.676 155 E HA 0.047 4.396 4.350 -0.001 0.000 0.225 155 E C -0.591 176.055 176.600 0.076 0.000 0.944 155 E CA 0.087 56.532 56.400 0.074 0.000 1.156 155 E CB 0.721 30.482 29.700 0.102 0.000 1.117 155 E HN 0.455 nan 8.360 nan 0.000 0.523 156 T N -1.925 112.689 114.554 0.099 0.000 2.807 156 T HA 0.252 4.602 4.350 -0.001 0.000 0.279 156 T C 1.104 175.899 174.700 0.158 0.000 0.993 156 T CA -0.304 61.867 62.100 0.119 0.000 0.970 156 T CB 1.734 70.716 68.868 0.191 0.000 0.950 156 T HN -0.174 nan 8.240 nan 0.000 0.441 157 T N 3.016 117.657 114.554 0.145 0.000 2.649 157 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 157 T C 2.070 176.911 174.700 0.236 0.000 1.036 157 T CA 2.578 64.784 62.100 0.178 0.000 1.157 157 T CB -0.932 68.020 68.868 0.141 0.000 0.861 157 T HN 0.913 nan 8.240 nan 0.000 0.445 158 T N 0.462 115.179 114.554 0.271 0.000 2.867 158 T HA 0.068 4.417 4.350 -0.001 0.000 0.268 158 T C 2.251 177.092 174.700 0.235 0.000 1.057 158 T CA 1.044 63.300 62.100 0.260 0.000 1.136 158 T CB -0.721 68.349 68.868 0.336 0.000 0.874 158 T HN 0.502 nan 8.240 nan 0.000 0.466 159 G N 1.285 110.212 108.800 0.212 0.000 2.395 159 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.214 159 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.214 159 G C 1.624 176.611 174.900 0.145 0.000 1.177 159 G CA 0.558 45.748 45.100 0.149 0.000 0.794 159 G HN 0.418 nan 8.290 nan 0.000 0.532 160 V N 0.885 120.908 119.914 0.180 0.000 2.220 160 V HA -0.269 3.851 4.120 -0.001 0.000 0.246 160 V C 2.374 178.650 176.094 0.303 0.000 1.049 160 V CA 2.566 64.986 62.300 0.199 0.000 1.003 160 V CB -0.981 31.004 31.823 0.271 0.000 0.634 160 V HN 0.608 nan 8.190 nan 0.000 0.444 161 H N 0.907 120.150 119.070 0.288 0.000 2.255 161 H HA -0.297 4.259 4.556 -0.001 0.000 0.290 161 H C 2.234 177.697 175.328 0.226 0.000 1.087 161 H CA 2.617 58.844 56.048 0.298 0.000 1.213 161 H CB -0.391 29.477 29.762 0.177 0.000 1.349 161 H HN 0.427 nan 8.280 nan 0.000 0.487 162 N N -0.152 118.720 118.700 0.287 0.000 2.247 162 N HA -0.160 4.580 4.740 -0.001 0.000 0.189 162 N C 1.903 177.436 175.510 0.038 0.000 1.009 162 N CA 1.495 54.636 53.050 0.151 0.000 0.872 162 N CB -0.308 38.256 38.487 0.128 0.000 0.980 162 N HN 0.496 nan 8.380 nan 0.000 0.436 163 L N -1.296 119.937 121.223 0.017 0.000 2.023 163 L HA -0.154 4.186 4.340 -0.001 0.000 0.205 163 L C 1.752 178.569 176.870 -0.087 0.000 1.073 163 L CA 0.990 55.785 54.840 -0.076 0.000 0.745 163 L CB -0.646 41.327 42.059 -0.143 0.000 0.900 163 L HN 0.187 nan 8.230 nan 0.000 0.435 164 Y N 0.573 120.836 120.300 -0.063 0.000 2.151 164 Y HA -0.354 4.196 4.550 -0.001 0.000 0.284 164 Y C 2.711 178.538 175.900 -0.122 0.000 1.166 164 Y CA 1.908 59.948 58.100 -0.100 0.000 1.163 164 Y CB -0.433 37.941 38.460 -0.144 0.000 0.974 164 Y HN 0.137 nan 8.280 nan 0.000 0.511 165 K N 0.190 120.580 120.400 -0.016 0.000 1.965 165 K HA -0.229 4.091 4.320 -0.001 0.000 0.214 165 K C 2.046 178.652 176.600 0.011 0.000 1.046 165 K CA 1.996 58.262 56.287 -0.034 0.000 0.944 165 K CB -0.387 32.087 32.500 -0.043 0.000 0.726 165 K HN 0.214 nan 8.250 nan 0.000 0.441 166 M N 0.217 119.828 119.600 0.019 0.000 2.116 166 M HA -0.263 4.217 4.480 -0.001 0.000 0.255 166 M C 2.449 178.776 176.300 0.044 0.000 1.075 166 M CA 1.935 57.261 55.300 0.044 0.000 1.087 166 M CB -0.446 32.186 32.600 0.054 0.000 1.340 166 M HN 0.339 nan 8.290 nan 0.000 0.402 167 M N 0.817 120.433 119.600 0.026 0.000 2.086 167 M HA -0.047 4.432 4.480 -0.001 0.000 0.261 167 M C 2.213 178.528 176.300 0.025 0.000 1.067 167 M CA 2.173 57.486 55.300 0.022 0.000 1.116 167 M CB -0.650 31.944 32.600 -0.009 0.000 1.348 167 M HN 0.200 nan 8.290 nan 0.000 0.407 168 A N 0.141 122.978 122.820 0.029 0.000 2.019 168 A HA -0.111 4.208 4.320 -0.001 0.000 0.219 168 A C 1.333 178.929 177.584 0.019 0.000 1.164 168 A CA 1.798 53.849 52.037 0.024 0.000 0.644 168 A CB -0.846 18.165 19.000 0.019 0.000 0.805 168 A HN 0.708 nan 8.150 nan 0.000 0.449 169 N N -0.582 118.132 118.700 0.023 0.000 2.273 169 N HA 0.265 5.005 4.740 -0.001 0.000 0.231 169 N C 0.821 176.345 175.510 0.023 0.000 1.134 169 N CA 0.606 53.669 53.050 0.022 0.000 0.856 169 N CB 0.188 38.689 38.487 0.024 0.000 1.068 169 N HN 0.494 nan 8.380 nan 0.000 0.510 170 G N 1.052 109.866 108.800 0.024 0.000 2.341 170 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.292 170 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.292 170 G C 0.728 175.643 174.900 0.025 0.000 1.021 170 G CA 0.675 45.788 45.100 0.021 0.000 0.905 170 G HN 0.469 nan 8.290 nan 0.000 0.508 171 I N -1.349 119.248 120.570 0.046 0.000 3.039 171 I HA 0.242 4.412 4.170 -0.001 0.000 0.270 171 I C 1.429 177.610 176.117 0.108 0.000 1.150 171 I CA -0.423 60.915 61.300 0.063 0.000 1.448 171 I CB -0.034 38.026 38.000 0.100 0.000 1.197 171 I HN 0.231 nan 8.210 nan 0.000 0.450 172 L N 2.761 124.079 121.223 0.159 0.000 2.584 172 L HA -0.060 4.280 4.340 -0.001 0.000 0.272 172 L C 0.567 177.529 176.870 0.153 0.000 1.195 172 L CA 1.118 56.117 54.840 0.265 0.000 0.920 172 L CB -0.135 41.997 42.059 0.121 0.000 1.173 172 L HN 0.115 nan 8.230 nan 0.000 0.489 173 K N 3.745 124.226 120.400 0.135 0.000 2.478 173 K HA 0.365 4.685 4.320 -0.001 0.000 0.205 173 K C -1.207 175.423 176.600 0.050 0.000 1.033 173 K CA -0.140 56.147 56.287 -0.000 0.000 1.091 173 K CB 0.686 33.096 32.500 -0.149 0.000 0.844 173 K HN 0.437 nan 8.250 nan 0.000 0.507 174 V N 2.035 122.023 119.914 0.124 0.000 2.932 174 V HA 0.301 4.421 4.120 -0.001 0.000 0.307 174 V C -2.602 173.549 176.094 0.094 0.000 1.147 174 V CA -2.220 60.141 62.300 0.101 0.000 0.951 174 V CB 2.146 34.041 31.823 0.120 0.000 1.031 174 V HN 0.022 nan 8.190 nan 0.000 0.426 175 P HA 0.477 nan 4.420 nan 0.000 0.275 175 P C -0.875 176.475 177.300 0.083 0.000 1.227 175 P CA 0.033 63.208 63.100 0.124 0.000 0.781 175 P CB 1.557 33.326 31.700 0.114 0.000 0.906 176 A N 3.517 126.409 122.820 0.120 0.000 2.454 176 A HA 0.731 5.050 4.320 -0.001 0.000 0.302 176 A C -0.766 176.883 177.584 0.109 0.000 1.079 176 A CA -0.884 51.183 52.037 0.051 0.000 0.731 176 A CB 1.229 20.225 19.000 -0.007 0.000 1.299 176 A HN 0.483 nan 8.150 nan 0.000 0.413 177 I N 2.056 122.654 120.570 0.046 0.000 2.382 177 I HA 0.176 4.345 4.170 -0.001 0.000 0.286 177 I C -0.245 175.932 176.117 0.100 0.000 1.002 177 I CA -0.672 60.689 61.300 0.101 0.000 1.135 177 I CB 1.663 39.656 38.000 -0.013 0.000 1.288 177 I HN 0.724 nan 8.210 nan 0.000 0.448 178 N N 6.466 125.279 118.700 0.188 0.000 2.498 178 N HA 0.030 4.770 4.740 -0.001 0.000 0.277 178 N C 0.734 176.262 175.510 0.030 0.000 1.208 178 N CA 0.203 53.338 53.050 0.142 0.000 1.029 178 N CB 0.804 39.485 38.487 0.324 0.000 1.403 178 N HN 0.416 nan 8.380 nan 0.000 0.500 179 V N 3.228 123.155 119.914 0.021 0.000 2.515 179 V HA -0.220 3.899 4.120 -0.001 0.000 0.250 179 V C 2.139 178.211 176.094 -0.036 0.000 1.058 179 V CA 1.721 64.019 62.300 -0.003 0.000 1.064 179 V CB -0.880 30.957 31.823 0.024 0.000 0.675 179 V HN 0.739 nan 8.190 nan 0.000 0.461 180 N N 0.490 119.177 118.700 -0.021 0.000 2.272 180 N HA -0.182 4.557 4.740 -0.001 0.000 0.185 180 N C 1.068 176.522 175.510 -0.092 0.000 1.014 180 N CA 1.366 54.400 53.050 -0.027 0.000 0.870 180 N CB -0.131 38.366 38.487 0.016 0.000 0.975 180 N HN 0.387 nan 8.380 nan 0.000 0.433 181 D N -0.431 119.838 120.400 -0.218 0.000 2.325 181 D HA 0.111 4.750 4.640 -0.001 0.000 0.234 181 D C -0.347 175.773 176.300 -0.299 0.000 1.122 181 D CA 0.158 53.957 54.000 -0.335 0.000 0.850 181 D CB 0.072 40.443 40.800 -0.716 0.000 0.921 181 D HN 0.155 nan 8.370 nan 0.000 0.513 182 S N -0.647 114.946 115.700 -0.178 0.000 2.617 182 S HA 0.149 4.619 4.470 -0.001 0.000 0.269 182 S C 1.839 176.394 174.600 -0.076 0.000 1.292 182 S CA -0.803 57.336 58.200 -0.102 0.000 1.010 182 S CB 2.224 65.393 63.200 -0.051 0.000 0.944 182 S HN -0.100 nan 8.310 nan 0.000 0.536 183 V N 1.960 121.826 119.914 -0.080 0.000 2.244 183 V HA -0.170 3.950 4.120 -0.001 0.000 0.244 183 V C 2.798 178.864 176.094 -0.047 0.000 1.042 183 V CA 2.190 64.416 62.300 -0.123 0.000 1.006 183 V CB -1.663 29.945 31.823 -0.359 0.000 0.641 183 V HN 1.108 nan 8.190 nan 0.000 0.446 184 T N -1.233 113.313 114.554 -0.013 0.000 2.996 184 T HA -0.222 4.128 4.350 -0.001 0.000 0.271 184 T C 1.612 176.369 174.700 0.095 0.000 1.126 184 T CA 1.781 63.932 62.100 0.086 0.000 1.103 184 T CB -0.488 68.388 68.868 0.013 0.000 0.870 184 T HN 0.558 nan 8.240 nan 0.000 0.528 185 N N 0.355 119.076 118.700 0.035 0.000 2.545 185 N HA 0.010 4.750 4.740 -0.001 0.000 0.190 185 N C 2.008 177.538 175.510 0.033 0.000 1.043 185 N CA 1.029 54.098 53.050 0.031 0.000 0.879 185 N CB 0.169 38.657 38.487 0.002 0.000 1.210 185 N HN 0.411 nan 8.380 nan 0.000 0.437 186 S N 1.062 116.756 115.700 -0.009 0.000 2.343 186 S HA -0.049 4.421 4.470 -0.001 0.000 0.219 186 S C 1.825 176.380 174.600 -0.075 0.000 1.033 186 S CA 1.000 59.175 58.200 -0.042 0.000 1.014 186 S CB -0.181 62.983 63.200 -0.060 0.000 0.915 186 S HN 0.193 nan 8.310 nan 0.000 0.435 187 K N 0.120 120.457 120.400 -0.105 0.000 2.032 187 K HA -0.054 4.266 4.320 -0.001 0.000 0.209 187 K C 1.866 178.227 176.600 -0.399 0.000 1.048 187 K CA 1.433 57.536 56.287 -0.306 0.000 0.927 187 K CB -0.799 31.514 32.500 -0.312 0.000 0.712 187 K HN 0.481 nan 8.250 nan 0.000 0.441 188 F N 1.662 121.539 119.950 -0.121 0.000 2.074 188 F HA -0.163 4.364 4.527 -0.001 0.000 0.293 188 F C 2.422 178.199 175.800 -0.039 0.000 1.116 188 F CA 1.539 59.542 58.000 0.005 0.000 1.212 188 F CB -0.474 38.537 39.000 0.018 0.000 0.998 188 F HN 0.096 nan 8.300 nan 0.000 0.471 189 D N -0.158 120.343 120.400 0.169 0.000 2.218 189 D HA -0.158 4.482 4.640 -0.001 0.000 0.204 189 D C 1.418 177.778 176.300 0.099 0.000 0.976 189 D CA 1.435 55.523 54.000 0.148 0.000 0.853 189 D CB -0.270 40.569 40.800 0.065 0.000 0.939 189 D HN 0.429 nan 8.370 nan 0.000 0.481 190 N N -0.870 117.809 118.700 -0.035 0.000 2.513 190 N HA 0.071 4.811 4.740 -0.001 0.000 0.196 190 N C 1.831 177.229 175.510 -0.186 0.000 1.041 190 N CA -0.116 52.878 53.050 -0.093 0.000 0.916 190 N CB 0.521 38.938 38.487 -0.116 0.000 1.172 190 N HN 0.059 nan 8.380 nan 0.000 0.444 191 L N 0.460 121.493 121.223 -0.317 0.000 2.004 191 L HA -0.072 4.268 4.340 -0.001 0.000 0.205 191 L C 2.018 178.683 176.870 -0.341 0.000 1.089 191 L CA 1.181 55.774 54.840 -0.412 0.000 0.756 191 L CB -0.340 41.318 42.059 -0.668 0.000 0.900 191 L HN 0.131 nan 8.230 nan 0.000 0.440 192 Y N 0.232 120.356 120.300 -0.293 0.000 2.274 192 Y HA -0.123 4.427 4.550 -0.001 0.000 0.290 192 Y C 2.416 178.145 175.900 -0.285 0.000 1.145 192 Y CA 0.700 58.612 58.100 -0.313 0.000 1.203 192 Y CB -1.671 36.472 38.460 -0.529 0.000 0.984 192 Y HN 0.242 nan 8.280 nan 0.000 0.533 193 G N -0.678 107.984 108.800 -0.229 0.000 2.484 193 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.215 193 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.215 193 G C 1.745 176.150 174.900 -0.825 0.000 1.219 193 G CA 1.431 46.083 45.100 -0.746 0.000 0.791 193 G HN 0.479 nan 8.290 nan 0.000 0.550 194 C N -0.043 118.944 119.300 -0.520 0.000 2.419 194 C HA 0.116 4.576 4.460 -0.001 0.000 0.281 194 C C 2.764 177.676 174.990 -0.131 0.000 1.336 194 C CA 0.613 59.494 59.018 -0.229 0.000 1.770 194 C CB -0.960 26.720 27.740 -0.099 0.000 1.929 194 C HN 0.527 nan 8.230 nan 0.000 0.509 195 R N 1.106 121.535 120.500 -0.118 0.000 2.092 195 R HA -0.100 4.239 4.340 -0.001 0.000 0.231 195 R C 2.068 178.360 176.300 -0.013 0.000 1.119 195 R CA 1.197 57.273 56.100 -0.040 0.000 0.970 195 R CB -0.144 30.152 30.300 -0.006 0.000 0.864 195 R HN 0.544 nan 8.270 nan 0.000 0.440 196 E N -0.241 119.935 120.200 -0.041 0.000 2.216 196 E HA -0.067 4.283 4.350 -0.001 0.000 0.192 196 E C 1.152 177.763 176.600 0.018 0.000 0.988 196 E CA 1.300 57.696 56.400 -0.006 0.000 0.834 196 E CB 0.414 30.108 29.700 -0.011 0.000 0.772 196 E HN 0.390 nan 8.360 nan 0.000 0.479 197 S N -0.347 115.350 115.700 -0.006 0.000 2.730 197 S HA 0.092 4.562 4.470 -0.001 0.000 0.244 197 S C 1.450 176.074 174.600 0.039 0.000 1.022 197 S CA -0.384 57.838 58.200 0.037 0.000 1.014 197 S CB 0.161 63.409 63.200 0.079 0.000 0.963 197 S HN 0.075 nan 8.310 nan 0.000 0.540 198 L N 1.514 122.752 121.223 0.026 0.000 2.049 198 L HA 0.379 4.719 4.340 -0.001 0.000 0.203 198 L C 1.823 178.704 176.870 0.018 0.000 1.074 198 L CA 1.587 56.441 54.840 0.024 0.000 0.749 198 L CB -0.667 41.400 42.059 0.014 0.000 0.907 198 L HN 0.250 nan 8.230 nan 0.000 0.439 199 I N 0.486 121.069 120.570 0.022 0.000 2.361 199 I HA -0.229 3.940 4.170 -0.001 0.000 0.251 199 I C 2.140 178.235 176.117 -0.037 0.000 1.133 199 I CA 1.454 62.734 61.300 -0.034 0.000 1.413 199 I CB -0.603 37.365 38.000 -0.053 0.000 1.073 199 I HN 0.407 nan 8.210 nan 0.000 0.424 200 D N 0.562 120.970 120.400 0.015 0.000 2.097 200 D HA -0.155 4.485 4.640 -0.001 0.000 0.195 200 D C 2.370 178.677 176.300 0.012 0.000 0.989 200 D CA 1.668 55.680 54.000 0.020 0.000 0.827 200 D CB -0.470 40.358 40.800 0.046 0.000 0.966 200 D HN 0.273 nan 8.370 nan 0.000 0.456 201 G N 0.512 109.324 108.800 0.021 0.000 2.418 201 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.217 201 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.217 201 G C 1.875 176.779 174.900 0.007 0.000 1.158 201 G CA 0.749 45.861 45.100 0.021 0.000 0.771 201 G HN 0.377 nan 8.290 nan 0.000 0.545 202 I N 0.028 120.594 120.570 -0.007 0.000 2.252 202 I HA -0.110 4.059 4.170 -0.001 0.000 0.245 202 I C 2.751 178.847 176.117 -0.036 0.000 1.102 202 I CA 0.849 62.138 61.300 -0.019 0.000 1.385 202 I CB -0.231 37.746 38.000 -0.039 0.000 1.064 202 I HN 0.021 nan 8.210 nan 0.000 0.414 203 K N 1.355 121.722 120.400 -0.055 0.000 1.973 203 K HA -0.116 4.203 4.320 -0.001 0.000 0.212 203 K C 2.115 178.699 176.600 -0.026 0.000 1.047 203 K CA 1.451 57.701 56.287 -0.061 0.000 0.937 203 K CB -0.662 31.795 32.500 -0.071 0.000 0.721 203 K HN 0.319 nan 8.250 nan 0.000 0.440 204 R N 0.560 121.055 120.500 -0.009 0.000 2.096 204 R HA -0.153 4.187 4.340 -0.001 0.000 0.240 204 R C 2.372 178.674 176.300 0.003 0.000 1.139 204 R CA 1.551 57.654 56.100 0.004 0.000 0.952 204 R CB -0.683 29.627 30.300 0.016 0.000 0.854 204 R HN 0.229 nan 8.270 nan 0.000 0.436 205 A N 1.019 123.842 122.820 0.004 0.000 1.835 205 A HA -0.181 4.138 4.320 -0.001 0.000 0.215 205 A C 2.362 179.948 177.584 0.003 0.000 1.199 205 A CA 2.324 54.364 52.037 0.007 0.000 0.615 205 A CB -0.896 18.112 19.000 0.013 0.000 0.838 205 A HN 0.535 nan 8.150 nan 0.000 0.444 206 T N -5.495 109.058 114.554 -0.002 0.000 3.037 206 T HA 0.147 4.496 4.350 -0.001 0.000 0.252 206 T C 0.443 175.135 174.700 -0.013 0.000 1.073 206 T CA 0.849 62.947 62.100 -0.003 0.000 1.091 206 T CB 0.055 68.923 68.868 0.001 0.000 0.935 206 T HN 0.408 nan 8.240 nan 0.000 0.488 207 D N 0.561 120.946 120.400 -0.024 0.000 2.983 207 D HA -0.132 4.508 4.640 -0.001 0.000 0.225 207 D C 0.161 176.438 176.300 -0.038 0.000 1.174 207 D CA 0.491 54.472 54.000 -0.030 0.000 0.831 207 D CB -1.634 39.156 40.800 -0.016 0.000 1.104 207 D HN 0.493 nan 8.370 nan 0.000 0.421 208 V N 0.541 120.428 119.914 -0.045 0.000 3.133 208 V HA 0.293 4.412 4.120 -0.001 0.000 0.305 208 V C 0.728 176.777 176.094 -0.075 0.000 1.084 208 V CA -0.354 61.919 62.300 -0.046 0.000 1.089 208 V CB 1.610 33.412 31.823 -0.034 0.000 1.073 208 V HN 0.227 nan 8.190 nan 0.000 0.477 209 M N 4.866 124.431 119.600 -0.059 0.000 2.144 209 M HA 0.319 4.799 4.480 -0.001 0.000 0.356 209 M C 0.152 176.405 176.300 -0.078 0.000 1.217 209 M CA -0.269 54.992 55.300 -0.066 0.000 1.087 209 M CB 0.995 33.579 32.600 -0.027 0.000 1.609 209 M HN 0.595 nan 8.290 nan 0.000 0.467 210 I N 3.011 123.504 120.570 -0.130 0.000 2.400 210 I HA 0.108 4.277 4.170 -0.001 0.000 0.248 210 I C 1.453 177.567 176.117 -0.006 0.000 1.109 210 I CA 0.577 61.809 61.300 -0.114 0.000 1.425 210 I CB -1.758 36.075 38.000 -0.280 0.000 1.094 210 I HN 0.817 nan 8.210 nan 0.000 0.425 211 A N 0.446 123.294 122.820 0.047 0.000 2.466 211 A HA 0.377 4.696 4.320 -0.001 0.000 0.238 211 A C 1.602 179.206 177.584 0.033 0.000 1.074 211 A CA 0.796 52.877 52.037 0.074 0.000 0.774 211 A CB -0.397 18.660 19.000 0.094 0.000 1.015 211 A HN 0.768 nan 8.150 nan 0.000 0.498 212 G N 0.273 109.091 108.800 0.030 0.000 2.257 212 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.267 212 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.267 212 G C 0.433 175.334 174.900 0.001 0.000 0.984 212 G CA 1.188 46.297 45.100 0.014 0.000 0.626 212 G HN 0.885 nan 8.290 nan 0.000 0.540 213 K N -0.218 120.180 120.400 -0.004 0.000 2.087 213 K HA 0.613 4.932 4.320 -0.001 0.000 0.255 213 K C 0.027 176.604 176.600 -0.038 0.000 0.988 213 K CA -0.669 55.604 56.287 -0.024 0.000 0.915 213 K CB 1.943 34.424 32.500 -0.032 0.000 1.043 213 K HN -0.018 nan 8.250 nan 0.000 0.457 214 V N 2.631 122.505 119.914 -0.066 0.000 2.348 214 V HA 0.325 4.445 4.120 -0.001 0.000 0.270 214 V C -0.398 175.589 176.094 -0.177 0.000 1.037 214 V CA -0.570 61.671 62.300 -0.099 0.000 0.872 214 V CB 0.838 32.599 31.823 -0.102 0.000 1.002 214 V HN 0.820 nan 8.190 nan 0.000 0.464 215 A N 5.566 128.285 122.820 -0.168 0.000 2.288 215 A HA 0.781 5.101 4.320 -0.001 0.000 0.320 215 A C -0.581 176.837 177.584 -0.278 0.000 1.217 215 A CA -0.480 51.419 52.037 -0.229 0.000 0.840 215 A CB 1.277 20.199 19.000 -0.131 0.000 1.179 215 A HN 0.588 nan 8.150 nan 0.000 0.504 216 V N 3.529 123.179 119.914 -0.439 0.000 2.370 216 V HA 0.372 4.492 4.120 -0.001 0.000 0.279 216 V C -0.320 175.660 176.094 -0.190 0.000 1.029 216 V CA -0.336 61.750 62.300 -0.356 0.000 0.870 216 V CB 1.374 32.872 31.823 -0.541 0.000 0.984 216 V HN 0.609 nan 8.190 nan 0.000 0.451 217 V N 4.627 124.464 119.914 -0.128 0.000 2.350 217 V HA 0.631 4.751 4.120 -0.001 0.000 0.285 217 V C 0.433 176.506 176.094 -0.034 0.000 1.014 217 V CA -0.659 61.599 62.300 -0.070 0.000 0.831 217 V CB 1.585 33.353 31.823 -0.092 0.000 1.000 217 V HN 0.930 nan 8.190 nan 0.000 0.433 218 A N 4.020 126.838 122.820 -0.003 0.000 2.279 218 A HA 0.796 5.116 4.320 -0.001 0.000 0.306 218 A C 0.694 178.287 177.584 0.015 0.000 1.300 218 A CA 0.353 52.393 52.037 0.005 0.000 0.925 218 A CB -0.043 18.962 19.000 0.009 0.000 1.152 218 A HN 1.989 nan 8.150 nan 0.000 0.544 219 G N 0.859 109.678 108.800 0.032 0.000 3.367 219 G HA2 -0.038 3.922 3.960 -0.001 0.000 0.686 219 G HA3 -0.038 3.922 3.960 -0.001 0.000 0.686 219 G C -0.664 174.285 174.900 0.081 0.000 1.146 219 G CA -0.413 44.714 45.100 0.044 0.000 0.913 219 G HN 1.222 nan 8.290 nan 0.000 0.554 220 Y N 2.998 123.274 120.300 -0.040 0.000 2.756 220 Y HA 0.494 5.044 4.550 -0.001 0.000 0.300 220 Y C 1.466 177.348 175.900 -0.031 0.000 1.113 220 Y CA 0.255 58.329 58.100 -0.042 0.000 1.291 220 Y CB -0.022 38.423 38.460 -0.025 0.000 1.175 220 Y HN 0.864 nan 8.280 nan 0.000 0.534 221 G N 0.061 108.771 108.800 -0.150 0.000 2.481 221 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.251 221 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.251 221 G C 0.618 175.352 174.900 -0.276 0.000 1.492 221 G CA 0.181 45.183 45.100 -0.164 0.000 1.060 221 G HN 0.225 nan 8.290 nan 0.000 0.553 222 D N -1.244 119.034 120.400 -0.205 0.000 2.084 222 D HA -0.108 4.532 4.640 -0.001 0.000 0.196 222 D C 2.804 178.962 176.300 -0.236 0.000 0.985 222 D CA 0.876 54.735 54.000 -0.235 0.000 0.826 222 D CB -0.515 40.171 40.800 -0.191 0.000 0.978 222 D HN 0.035 nan 8.370 nan 0.000 0.456 223 V N 0.957 120.767 119.914 -0.172 0.000 2.287 223 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 223 V C 2.529 178.532 176.094 -0.151 0.000 1.053 223 V CA 2.151 64.368 62.300 -0.139 0.000 1.027 223 V CB -1.076 30.694 31.823 -0.087 0.000 0.646 223 V HN 0.267 nan 8.190 nan 0.000 0.447 224 G N -0.699 108.003 108.800 -0.164 0.000 2.442 224 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.219 224 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.219 224 G C 1.674 176.421 174.900 -0.256 0.000 1.141 224 G CA 0.959 45.963 45.100 -0.160 0.000 0.763 224 G HN 0.473 nan 8.290 nan 0.000 0.554 225 K N -0.010 120.115 120.400 -0.458 0.000 2.026 225 K HA -0.051 4.269 4.320 -0.001 0.000 0.208 225 K C 2.776 179.260 176.600 -0.194 0.000 1.048 225 K CA 1.057 57.038 56.287 -0.511 0.000 0.929 225 K CB -0.415 31.737 32.500 -0.580 0.000 0.713 225 K HN 0.278 nan 8.250 nan 0.000 0.439 226 G N 0.710 109.404 108.800 -0.178 0.000 2.402 226 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 226 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 226 G C 1.616 176.483 174.900 -0.055 0.000 1.162 226 G CA 0.951 45.989 45.100 -0.103 0.000 0.777 226 G HN 0.327 nan 8.290 nan 0.000 0.539 227 C N 1.003 120.261 119.300 -0.069 0.000 2.440 227 C HA 0.236 4.696 4.460 -0.001 0.000 0.278 227 C C 3.508 178.479 174.990 -0.032 0.000 1.295 227 C CA 0.627 59.622 59.018 -0.038 0.000 1.738 227 C CB -0.923 26.790 27.740 -0.046 0.000 1.987 227 C HN 0.547 nan 8.230 nan 0.000 0.492 228 A N -0.162 122.617 122.820 -0.068 0.000 1.972 228 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 228 A C 2.182 179.780 177.584 0.024 0.000 1.169 228 A CA 1.764 53.719 52.037 -0.137 0.000 0.635 228 A CB -0.649 18.182 19.000 -0.281 0.000 0.810 228 A HN 0.737 nan 8.150 nan 0.000 0.446 229 Q N -0.920 118.936 119.800 0.094 0.000 2.212 229 Q HA 0.048 4.388 4.340 -0.001 0.000 0.199 229 Q C 2.148 178.204 176.000 0.094 0.000 0.950 229 Q CA 0.952 56.843 55.803 0.147 0.000 0.863 229 Q CB -0.217 28.588 28.738 0.111 0.000 0.944 229 Q HN 0.602 nan 8.270 nan 0.000 0.465 230 A N 0.834 123.698 122.820 0.073 0.000 1.855 230 A HA -0.124 4.196 4.320 -0.001 0.000 0.215 230 A C 1.994 179.690 177.584 0.188 0.000 1.191 230 A CA 1.009 53.108 52.037 0.104 0.000 0.613 230 A CB -0.689 18.367 19.000 0.094 0.000 0.829 230 A HN 0.408 nan 8.150 nan 0.000 0.442 231 L N -1.118 120.191 121.223 0.144 0.000 2.083 231 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 231 L C 2.772 179.745 176.870 0.171 0.000 1.083 231 L CA 1.672 56.606 54.840 0.156 0.000 0.752 231 L CB -0.440 41.649 42.059 0.050 0.000 0.899 231 L HN 0.434 nan 8.230 nan 0.000 0.433 232 R N 0.417 121.003 120.500 0.144 0.000 2.115 232 R HA -0.088 4.251 4.340 -0.001 0.000 0.226 232 R C 2.246 178.601 176.300 0.091 0.000 1.100 232 R CA 1.128 57.316 56.100 0.147 0.000 0.980 232 R CB -0.352 30.087 30.300 0.231 0.000 0.875 232 R HN 0.354 nan 8.270 nan 0.000 0.445 233 G N -0.461 108.367 108.800 0.046 0.000 2.470 233 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.220 233 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.220 233 G C 0.935 175.731 174.900 -0.175 0.000 1.121 233 G CA 0.299 45.350 45.100 -0.082 0.000 0.766 233 G HN 0.275 nan 8.290 nan 0.000 0.553 234 F N 0.157 120.116 119.950 0.014 0.000 2.664 234 F HA 0.324 4.850 4.527 -0.001 0.000 0.296 234 F C 2.106 177.909 175.800 0.006 0.000 1.125 234 F CA 0.656 58.660 58.000 0.007 0.000 1.444 234 F CB 0.695 39.697 39.000 0.004 0.000 1.114 234 F HN 0.269 nan 8.300 nan 0.000 0.576 235 G N -0.426 108.468 108.800 0.157 0.000 2.192 235 G HA2 -0.039 3.921 3.960 -0.001 0.000 0.193 235 G HA3 -0.039 3.921 3.960 -0.001 0.000 0.193 235 G C 0.349 175.300 174.900 0.084 0.000 0.999 235 G CA -0.263 44.897 45.100 0.100 0.000 0.659 235 G HN 0.533 nan 8.290 nan 0.000 0.503 236 A N 0.003 122.881 122.820 0.098 0.000 2.332 236 A HA 0.777 5.096 4.320 -0.001 0.000 0.258 236 A C 0.633 178.247 177.584 0.048 0.000 1.087 236 A CA 0.512 52.581 52.037 0.053 0.000 0.802 236 A CB 0.390 19.414 19.000 0.039 0.000 1.042 236 A HN 1.067 nan 8.150 nan 0.000 0.489 237 R N 1.404 121.916 120.500 0.020 0.000 2.215 237 R HA 0.499 4.838 4.340 -0.001 0.000 0.337 237 R C -1.459 174.845 176.300 0.007 0.000 1.010 237 R CA -0.322 55.795 56.100 0.028 0.000 0.871 237 R CB 0.410 30.714 30.300 0.007 0.000 1.134 237 R HN 0.427 nan 8.270 nan 0.000 0.477 238 V N 6.425 126.368 119.914 0.047 0.000 2.546 238 V HA 0.375 4.494 4.120 -0.001 0.000 0.284 238 V C 0.495 176.563 176.094 -0.043 0.000 1.050 238 V CA -0.516 61.759 62.300 -0.042 0.000 0.981 238 V CB 1.292 33.029 31.823 -0.143 0.000 0.990 238 V HN 0.714 nan 8.190 nan 0.000 0.474 239 I N 4.837 125.338 120.570 -0.114 0.000 2.569 239 I HA 0.554 4.724 4.170 -0.001 0.000 0.296 239 I C -0.677 175.363 176.117 -0.129 0.000 1.028 239 I CA -0.486 60.758 61.300 -0.094 0.000 1.082 239 I CB 2.167 40.110 38.000 -0.096 0.000 1.264 239 I HN 0.451 nan 8.210 nan 0.000 0.429 240 I N 3.679 124.185 120.570 -0.108 0.000 2.646 240 I HA 0.406 4.575 4.170 -0.001 0.000 0.299 240 I C -0.123 175.958 176.117 -0.060 0.000 1.036 240 I CA -0.419 60.822 61.300 -0.099 0.000 1.074 240 I CB 2.574 40.489 38.000 -0.142 0.000 1.258 240 I HN 0.565 nan 8.210 nan 0.000 0.430 241 T N 1.305 115.839 114.554 -0.034 0.000 2.856 241 T HA 0.691 5.040 4.350 -0.001 0.000 0.283 241 T C -0.646 174.057 174.700 0.003 0.000 1.008 241 T CA -0.644 61.443 62.100 -0.022 0.000 0.997 241 T CB 2.327 71.179 68.868 -0.027 0.000 0.992 241 T HN 0.467 nan 8.240 nan 0.000 0.454 242 E N 1.032 121.235 120.200 0.005 0.000 2.392 242 E HA 0.343 4.693 4.350 -0.001 0.000 0.279 242 E C 0.320 176.930 176.600 0.016 0.000 0.964 242 E CA -0.587 55.827 56.400 0.024 0.000 0.777 242 E CB 2.147 31.870 29.700 0.040 0.000 1.249 242 E HN 0.840 nan 8.360 nan 0.000 0.449 243 I N -2.446 118.137 120.570 0.022 0.000 3.939 243 I HA 0.347 4.516 4.170 -0.001 0.000 0.313 243 I C 0.638 176.766 176.117 0.018 0.000 1.274 243 I CA -0.054 61.256 61.300 0.016 0.000 1.301 243 I CB 0.578 38.588 38.000 0.016 0.000 1.105 243 I HN 0.074 nan 8.210 nan 0.000 0.427 244 D N 3.585 124.001 120.400 0.027 0.000 2.317 244 D HA 0.226 4.866 4.640 -0.001 0.000 0.234 244 D C -1.568 174.748 176.300 0.027 0.000 1.112 244 D CA -2.383 51.633 54.000 0.027 0.000 0.840 244 D CB 1.853 42.674 40.800 0.034 0.000 1.078 244 D HN 0.013 nan 8.370 nan 0.000 0.486 245 P HA -0.068 nan 4.420 nan 0.000 0.225 245 P C 1.581 178.891 177.300 0.016 0.000 1.148 245 P CA 0.674 63.782 63.100 0.012 0.000 0.779 245 P CB 0.534 32.238 31.700 0.006 0.000 0.780 246 I N -0.516 120.069 120.570 0.025 0.000 2.480 246 I HA -0.095 4.075 4.170 -0.001 0.000 0.251 246 I C 2.281 178.433 176.117 0.058 0.000 1.124 246 I CA 0.733 62.051 61.300 0.031 0.000 1.444 246 I CB -0.568 37.449 38.000 0.027 0.000 1.098 246 I HN -0.070 nan 8.210 nan 0.000 0.428 247 N N 1.450 120.201 118.700 0.085 0.000 2.171 247 N HA -0.090 4.650 4.740 -0.001 0.000 0.184 247 N C 1.990 177.578 175.510 0.130 0.000 1.021 247 N CA 1.489 54.645 53.050 0.176 0.000 0.854 247 N CB -0.071 38.525 38.487 0.182 0.000 0.994 247 N HN 0.291 nan 8.380 nan 0.000 0.426 248 A N 1.304 124.151 122.820 0.045 0.000 1.933 248 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 248 A C 2.218 179.767 177.584 -0.059 0.000 1.175 248 A CA 0.891 52.910 52.037 -0.029 0.000 0.628 248 A CB -0.525 18.466 19.000 -0.014 0.000 0.814 248 A HN 0.194 nan 8.150 nan 0.000 0.444 249 L N -0.455 120.756 121.223 -0.021 0.000 2.072 249 L HA -0.125 4.214 4.340 -0.001 0.000 0.205 249 L C 2.432 179.282 176.870 -0.034 0.000 1.079 249 L CA 2.149 56.973 54.840 -0.026 0.000 0.752 249 L CB -0.765 41.290 42.059 -0.007 0.000 0.906 249 L HN 0.499 nan 8.230 nan 0.000 0.436 250 Q N -0.762 119.042 119.800 0.006 0.000 2.045 250 Q HA -0.285 4.054 4.340 -0.001 0.000 0.206 250 Q C 2.206 178.162 176.000 -0.074 0.000 0.991 250 Q CA 2.247 58.083 55.803 0.055 0.000 0.851 250 Q CB -0.369 28.510 28.738 0.236 0.000 0.911 250 Q HN 0.703 nan 8.270 nan 0.000 0.418 251 A N 0.865 123.458 122.820 -0.379 0.000 1.841 251 A HA -0.221 4.099 4.320 -0.001 0.000 0.216 251 A C 2.300 179.760 177.584 -0.207 0.000 1.199 251 A CA 1.994 53.667 52.037 -0.607 0.000 0.621 251 A CB -1.253 17.270 19.000 -0.793 0.000 0.835 251 A HN 0.496 nan 8.150 nan 0.000 0.445 252 A N -1.253 121.476 122.820 -0.151 0.000 2.042 252 A HA -0.176 4.143 4.320 -0.001 0.000 0.222 252 A C 1.983 179.504 177.584 -0.105 0.000 1.167 252 A CA 2.042 54.019 52.037 -0.100 0.000 0.649 252 A CB -0.526 18.431 19.000 -0.072 0.000 0.809 252 A HN 0.480 nan 8.150 nan 0.000 0.457 253 M N -0.763 118.779 119.600 -0.097 0.000 2.618 253 M HA 0.071 4.550 4.480 -0.001 0.000 0.240 253 M C 0.646 176.879 176.300 -0.112 0.000 1.123 253 M CA 0.745 55.998 55.300 -0.080 0.000 1.060 253 M CB -0.471 32.104 32.600 -0.042 0.000 1.535 253 M HN 0.228 nan 8.290 nan 0.000 0.507 254 E N -0.325 119.762 120.200 -0.187 0.000 2.538 254 E HA 0.316 4.666 4.350 -0.001 0.000 0.207 254 E C 1.356 177.665 176.600 -0.486 0.000 1.002 254 E CA 0.275 56.492 56.400 -0.304 0.000 0.952 254 E CB 0.440 29.941 29.700 -0.330 0.000 1.031 254 E HN 0.542 nan 8.360 nan 0.000 0.476 255 G N 0.577 109.171 108.800 -0.343 0.000 2.194 255 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.236 255 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.236 255 G C 0.050 174.805 174.900 -0.243 0.000 0.987 255 G CA 0.043 44.971 45.100 -0.287 0.000 0.635 255 G HN 0.173 nan 8.290 nan 0.000 0.520 256 Y N 0.984 121.225 120.300 -0.098 0.000 2.299 256 Y HA 0.560 5.109 4.550 -0.001 0.000 0.335 256 Y C 0.917 176.753 175.900 -0.107 0.000 1.287 256 Y CA -0.664 57.374 58.100 -0.105 0.000 1.424 256 Y CB 0.544 38.914 38.460 -0.150 0.000 1.326 256 Y HN 0.225 nan 8.280 nan 0.000 0.567 257 E N 0.996 121.252 120.200 0.093 0.000 2.151 257 E HA 0.523 4.872 4.350 -0.001 0.000 0.275 257 E C -1.787 174.806 176.600 -0.012 0.000 0.936 257 E CA -0.554 55.855 56.400 0.014 0.000 0.777 257 E CB 1.082 30.783 29.700 0.002 0.000 1.108 257 E HN 0.439 nan 8.360 nan 0.000 0.401 258 V N 3.988 123.884 119.914 -0.030 0.000 2.435 258 V HA 0.491 4.611 4.120 -0.001 0.000 0.290 258 V C 0.232 176.305 176.094 -0.034 0.000 1.030 258 V CA -0.388 61.885 62.300 -0.044 0.000 0.881 258 V CB 1.434 33.224 31.823 -0.055 0.000 0.983 258 V HN 0.832 nan 8.190 nan 0.000 0.445 259 T N 2.174 116.707 114.554 -0.035 0.000 2.665 259 T HA 0.513 4.863 4.350 -0.001 0.000 0.303 259 T C -0.308 174.373 174.700 -0.031 0.000 1.334 259 T CA 0.152 62.235 62.100 -0.029 0.000 1.011 259 T CB 1.933 70.784 68.868 -0.028 0.000 1.573 259 T HN 0.881 nan 8.240 nan 0.000 0.492 260 T N 0.673 115.210 114.554 -0.028 0.000 2.899 260 T HA 0.382 4.731 4.350 -0.001 0.000 0.284 260 T C 1.409 176.073 174.700 -0.060 0.000 1.004 260 T CA -0.482 61.598 62.100 -0.033 0.000 1.043 260 T CB 0.830 69.687 68.868 -0.018 0.000 1.013 260 T HN 0.578 nan 8.240 nan 0.000 0.518 261 M N 1.116 120.656 119.600 -0.099 0.000 2.159 261 M HA -0.043 4.437 4.480 -0.001 0.000 0.263 261 M C 1.162 177.301 176.300 -0.269 0.000 1.063 261 M CA 1.714 56.884 55.300 -0.216 0.000 1.110 261 M CB -1.217 31.166 32.600 -0.361 0.000 1.374 261 M HN 0.751 nan 8.290 nan 0.000 0.411 262 D N 0.240 120.560 120.400 -0.135 0.000 2.103 262 D HA -0.195 4.444 4.640 -0.001 0.000 0.190 262 D C 1.964 178.255 176.300 -0.016 0.000 0.997 262 D CA 1.789 55.780 54.000 -0.015 0.000 0.833 262 D CB -0.457 40.374 40.800 0.053 0.000 0.961 262 D HN 0.426 nan 8.370 nan 0.000 0.447 263 E N 0.417 120.608 120.200 -0.015 0.000 2.077 263 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 263 E C 2.155 178.753 176.600 -0.003 0.000 0.989 263 E CA 1.021 57.419 56.400 -0.004 0.000 0.800 263 E CB -0.402 29.293 29.700 -0.007 0.000 0.746 263 E HN 0.263 nan 8.360 nan 0.000 0.452 264 A N 1.636 124.443 122.820 -0.021 0.000 1.902 264 A HA -0.211 4.109 4.320 -0.001 0.000 0.217 264 A C 2.644 180.273 177.584 0.076 0.000 1.181 264 A CA 1.737 53.769 52.037 -0.008 0.000 0.623 264 A CB -1.217 17.762 19.000 -0.035 0.000 0.818 264 A HN 0.543 nan 8.150 nan 0.000 0.443 265 C N -0.528 118.820 119.300 0.079 0.000 2.400 265 C HA -0.044 4.416 4.460 -0.001 0.000 0.291 265 C C 2.227 177.339 174.990 0.202 0.000 1.372 265 C CA 1.018 60.146 59.018 0.184 0.000 1.800 265 C CB -1.456 26.226 27.740 -0.096 0.000 1.869 265 C HN 0.596 nan 8.230 nan 0.000 0.533 266 K N 0.792 121.262 120.400 0.116 0.000 2.137 266 K HA 0.022 4.342 4.320 -0.001 0.000 0.202 266 K C 2.244 178.902 176.600 0.096 0.000 1.052 266 K CA 1.165 57.513 56.287 0.102 0.000 0.961 266 K CB -0.156 32.382 32.500 0.063 0.000 0.741 266 K HN 0.565 nan 8.250 nan 0.000 0.452 267 E N 1.088 121.325 120.200 0.062 0.000 2.060 267 E HA -0.012 4.338 4.350 -0.001 0.000 0.189 267 E C 1.059 177.644 176.600 -0.026 0.000 0.974 267 E CA 0.273 56.680 56.400 0.012 0.000 0.808 267 E CB -0.126 29.560 29.700 -0.023 0.000 0.768 267 E HN 0.271 nan 8.360 nan 0.000 0.453 268 G N 1.317 110.054 108.800 -0.105 0.000 2.464 268 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.231 268 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.231 268 G C 0.464 175.265 174.900 -0.164 0.000 1.267 268 G CA -0.156 44.699 45.100 -0.409 0.000 0.863 268 G HN 0.154 nan 8.290 nan 0.000 0.559 269 N N -0.032 118.538 118.700 -0.216 0.000 2.445 269 N HA 0.144 4.884 4.740 -0.001 0.000 0.204 269 N C 0.490 176.005 175.510 0.007 0.000 1.098 269 N CA 0.335 53.367 53.050 -0.031 0.000 0.859 269 N CB 0.720 39.179 38.487 -0.046 0.000 1.249 269 N HN 0.431 nan 8.380 nan 0.000 0.462 270 I N 0.418 120.894 120.570 -0.156 0.000 2.689 270 I HA 0.376 4.545 4.170 -0.001 0.000 0.299 270 I C -1.461 174.520 176.117 -0.227 0.000 1.059 270 I CA -0.681 60.592 61.300 -0.045 0.000 1.055 270 I CB 2.113 40.076 38.000 -0.061 0.000 1.243 270 I HN -0.250 nan 8.210 nan 0.000 0.425 271 F N 4.328 124.276 119.950 -0.004 0.000 2.579 271 F HA 0.473 4.999 4.527 -0.001 0.000 0.325 271 F C -0.402 175.391 175.800 -0.012 0.000 1.162 271 F CA -0.735 57.253 58.000 -0.020 0.000 0.946 271 F CB 1.909 40.892 39.000 -0.027 0.000 1.211 271 F HN -0.070 nan 8.300 nan 0.000 0.447 272 V N 1.967 121.944 119.914 0.105 0.000 2.448 272 V HA 0.567 4.686 4.120 -0.001 0.000 0.295 272 V C -0.190 175.939 176.094 0.058 0.000 1.025 272 V CA -0.850 61.491 62.300 0.068 0.000 0.859 272 V CB 2.004 33.839 31.823 0.020 0.000 0.988 272 V HN 0.765 nan 8.190 nan 0.000 0.431 273 T N -0.146 114.444 114.554 0.059 0.000 2.756 273 T HA 0.403 4.753 4.350 -0.001 0.000 0.290 273 T C 0.433 175.153 174.700 0.032 0.000 0.985 273 T CA -0.085 62.042 62.100 0.045 0.000 0.955 273 T CB 1.102 70.001 68.868 0.050 0.000 0.930 273 T HN 0.811 nan 8.240 nan 0.000 0.451 274 T N 0.060 114.624 114.554 0.018 0.000 3.269 274 T HA 0.345 4.695 4.350 -0.001 0.000 0.269 274 T C 0.418 175.123 174.700 0.009 0.000 0.993 274 T CA -0.543 61.559 62.100 0.003 0.000 0.909 274 T CB -0.414 68.440 68.868 -0.024 0.000 1.115 274 T HN 0.686 nan 8.240 nan 0.000 0.543 275 T N -0.398 114.175 114.554 0.030 0.000 2.938 275 T HA 0.646 4.996 4.350 -0.001 0.000 0.285 275 T C 1.072 175.814 174.700 0.071 0.000 1.028 275 T CA -0.614 61.510 62.100 0.040 0.000 1.005 275 T CB 1.599 70.490 68.868 0.039 0.000 1.157 275 T HN 0.166 nan 8.240 nan 0.000 0.550 276 G N -0.777 108.070 108.800 0.077 0.000 3.605 276 G HA2 0.355 4.315 3.960 -0.001 0.000 0.277 276 G HA3 0.355 4.315 3.960 -0.001 0.000 0.277 276 G C 0.200 175.159 174.900 0.099 0.000 1.093 276 G CA -0.186 44.988 45.100 0.123 0.000 0.821 276 G HN 0.783 nan 8.290 nan 0.000 0.532 277 C N 0.556 119.899 119.300 0.073 0.000 2.345 277 C HA 0.817 5.276 4.460 -0.001 0.000 0.370 277 C C 0.560 175.583 174.990 0.055 0.000 1.209 277 C CA -0.448 58.601 59.018 0.051 0.000 2.133 277 C CB 1.194 28.954 27.740 0.035 0.000 2.293 277 C HN 0.415 nan 8.230 nan 0.000 0.544 278 V N 0.835 120.771 119.914 0.036 0.000 3.019 278 V HA 0.674 4.794 4.120 -0.001 0.000 0.317 278 V C -0.717 175.389 176.094 0.020 0.000 1.094 278 V CA -0.574 61.746 62.300 0.033 0.000 1.000 278 V CB 1.675 33.511 31.823 0.023 0.000 1.060 278 V HN 0.926 nan 8.190 nan 0.000 0.443 279 D N 0.782 121.191 120.400 0.014 0.000 2.705 279 D HA -0.158 4.481 4.640 -0.001 0.000 0.240 279 D C 0.715 177.015 176.300 -0.000 0.000 1.137 279 D CA 0.793 54.789 54.000 -0.006 0.000 0.677 279 D CB -0.665 40.127 40.800 -0.014 0.000 1.049 279 D HN 0.536 nan 8.370 nan 0.000 0.427 280 I N -0.535 120.037 120.570 0.005 0.000 2.339 280 I HA 0.031 4.201 4.170 -0.001 0.000 0.245 280 I C 1.455 177.584 176.117 0.020 0.000 1.096 280 I CA 0.871 62.177 61.300 0.011 0.000 1.408 280 I CB -0.010 37.993 38.000 0.004 0.000 1.092 280 I HN 0.129 nan 8.210 nan 0.000 0.423 281 I N 2.668 123.208 120.570 -0.049 0.000 2.411 281 I HA 0.254 4.424 4.170 -0.001 0.000 0.284 281 I C -0.741 175.162 176.117 -0.356 0.000 1.012 281 I CA -0.338 60.890 61.300 -0.121 0.000 1.119 281 I CB 1.696 39.459 38.000 -0.395 0.000 1.261 281 I HN -0.128 nan 8.210 nan 0.000 0.448 282 L N 3.972 124.900 121.223 -0.492 0.000 2.267 282 L HA 0.598 4.938 4.340 -0.001 0.000 0.264 282 L C 1.684 178.016 176.870 -0.897 0.000 1.021 282 L CA -0.385 54.064 54.840 -0.651 0.000 0.861 282 L CB 0.239 41.968 42.059 -0.550 0.000 1.443 282 L HN 0.587 nan 8.230 nan 0.000 0.475 283 G N 0.324 108.521 108.800 -1.005 0.000 2.469 283 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.219 283 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.219 283 G C 1.341 175.705 174.900 -0.894 0.000 1.150 283 G CA 1.114 45.205 45.100 -1.681 0.000 0.763 283 G HN 0.737 nan 8.290 nan 0.000 0.561 284 R N -0.628 119.487 120.500 -0.641 0.000 2.293 284 R HA 0.081 4.421 4.340 -0.001 0.000 0.219 284 R C 1.874 178.009 176.300 -0.276 0.000 1.091 284 R CA 1.476 57.348 56.100 -0.380 0.000 1.004 284 R CB -0.646 29.461 30.300 -0.322 0.000 0.865 284 R HN 0.571 nan 8.270 nan 0.000 0.469 285 H N -0.793 118.049 119.070 -0.381 0.000 2.379 285 H HA 0.128 4.684 4.556 -0.001 0.000 0.308 285 H C 1.239 176.374 175.328 -0.322 0.000 1.047 285 H CA 0.509 56.334 56.048 -0.372 0.000 1.371 285 H CB 0.034 29.469 29.762 -0.545 0.000 1.449 285 H HN 0.013 nan 8.280 nan 0.000 0.564 286 F N 2.075 121.863 119.950 -0.269 0.000 2.120 286 F HA -0.189 4.338 4.527 -0.001 0.000 0.300 286 F C 1.983 177.710 175.800 -0.122 0.000 1.095 286 F CA 1.370 59.216 58.000 -0.256 0.000 1.249 286 F CB -0.431 38.333 39.000 -0.395 0.000 0.995 286 F HN 0.239 nan 8.300 nan 0.000 0.480 287 E N -0.517 119.710 120.200 0.046 0.000 2.516 287 E HA -0.134 4.215 4.350 -0.001 0.000 0.199 287 E C 1.628 178.270 176.600 0.069 0.000 1.069 287 E CA 0.234 56.681 56.400 0.077 0.000 0.876 287 E CB -0.119 29.615 29.700 0.056 0.000 0.843 287 E HN 0.484 nan 8.360 nan 0.000 0.530 288 Q N -0.576 119.269 119.800 0.075 0.000 2.391 288 Q HA 0.182 4.522 4.340 -0.001 0.000 0.243 288 Q C 0.771 176.862 176.000 0.152 0.000 0.874 288 Q CA 0.156 56.015 55.803 0.093 0.000 0.950 288 Q CB 0.523 29.299 28.738 0.064 0.000 1.103 288 Q HN 0.316 nan 8.270 nan 0.000 0.544 289 M N 1.823 121.512 119.600 0.149 0.000 2.250 289 M HA 0.007 4.486 4.480 -0.001 0.000 0.337 289 M C 0.400 176.832 176.300 0.219 0.000 1.161 289 M CA 0.765 56.170 55.300 0.176 0.000 1.088 289 M CB 0.230 32.895 32.600 0.110 0.000 1.639 289 M HN -0.208 nan 8.290 nan 0.000 0.447 290 K N 1.314 121.796 120.400 0.136 0.000 2.336 290 K HA 0.005 4.325 4.320 -0.001 0.000 0.262 290 K C -0.289 176.213 176.600 -0.164 0.000 0.992 290 K CA -0.347 55.917 56.287 -0.039 0.000 0.927 290 K CB 0.260 32.758 32.500 -0.003 0.000 0.956 290 K HN 0.508 nan 8.250 nan 0.000 0.495 291 D N 1.590 121.681 120.400 -0.514 0.000 2.525 291 D HA -0.103 4.537 4.640 -0.001 0.000 0.235 291 D C -0.155 176.094 176.300 -0.086 0.000 1.137 291 D CA 0.885 54.674 54.000 -0.352 0.000 0.868 291 D CB 0.257 40.841 40.800 -0.359 0.000 1.180 291 D HN 0.491 nan 8.370 nan 0.000 0.465 292 D N 0.959 121.361 120.400 0.004 0.000 2.870 292 D HA -0.184 4.455 4.640 -0.001 0.000 0.228 292 D C -0.609 175.734 176.300 0.072 0.000 1.147 292 D CA 0.953 54.978 54.000 0.042 0.000 0.757 292 D CB -1.242 39.570 40.800 0.020 0.000 1.091 292 D HN 0.553 nan 8.370 nan 0.000 0.429 293 A N 0.271 123.157 122.820 0.109 0.000 2.462 293 A HA 0.434 4.753 4.320 -0.001 0.000 0.243 293 A C 0.753 178.448 177.584 0.185 0.000 1.076 293 A CA 0.141 52.289 52.037 0.184 0.000 0.773 293 A CB 0.430 19.587 19.000 0.260 0.000 1.010 293 A HN 0.318 nan 8.150 nan 0.000 0.493 294 I N 3.069 123.761 120.570 0.203 0.000 2.307 294 I HA 0.255 4.424 4.170 -0.001 0.000 0.289 294 I C -0.588 175.666 176.117 0.229 0.000 1.021 294 I CA -0.407 60.995 61.300 0.169 0.000 1.224 294 I CB 1.373 39.438 38.000 0.109 0.000 1.376 294 I HN 0.276 nan 8.210 nan 0.000 0.470 295 V N 6.251 126.285 119.914 0.201 0.000 2.435 295 V HA 0.537 4.656 4.120 -0.001 0.000 0.290 295 V C -0.026 176.163 176.094 0.158 0.000 1.030 295 V CA -0.421 61.998 62.300 0.199 0.000 0.881 295 V CB 1.414 33.350 31.823 0.188 0.000 0.983 295 V HN 0.992 nan 8.190 nan 0.000 0.445 296 C N 2.959 122.345 119.300 0.145 0.000 3.285 296 C HA 0.834 5.293 4.460 -0.001 0.000 0.325 296 C C -1.016 174.032 174.990 0.097 0.000 1.304 296 C CA -1.024 58.060 59.018 0.110 0.000 1.319 296 C CB 1.172 28.965 27.740 0.089 0.000 1.640 296 C HN 0.911 nan 8.230 nan 0.000 0.477 297 N N 0.391 119.141 118.700 0.084 0.000 2.296 297 N HA 0.627 5.367 4.740 -0.001 0.000 0.294 297 N C -0.613 174.932 175.510 0.059 0.000 1.033 297 N CA -0.707 52.387 53.050 0.073 0.000 0.839 297 N CB 1.788 40.324 38.487 0.082 0.000 1.395 297 N HN 0.969 nan 8.380 nan 0.000 0.479 298 I N 2.334 122.931 120.570 0.046 0.000 4.081 298 I HA 0.454 4.624 4.170 -0.001 0.000 0.333 298 I C 1.121 177.250 176.117 0.020 0.000 1.413 298 I CA -0.363 60.957 61.300 0.033 0.000 1.110 298 I CB -0.234 37.783 38.000 0.028 0.000 1.082 298 I HN 0.711 nan 8.210 nan 0.000 0.402 299 G N 0.339 109.159 108.800 0.034 0.000 2.474 299 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.157 299 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.157 299 G C 0.922 175.842 174.900 0.033 0.000 1.720 299 G CA 1.070 46.191 45.100 0.036 0.000 0.931 299 G HN 0.583 nan 8.290 nan 0.000 0.376 300 H N -2.788 116.207 119.070 -0.125 0.000 3.771 300 H HA 0.372 4.927 4.556 -0.001 0.000 0.260 300 H C -0.601 174.266 175.328 -0.768 0.000 1.158 300 H CA -0.459 55.340 56.048 -0.416 0.000 1.170 300 H CB 0.884 30.356 29.762 -0.484 0.000 1.539 300 H HN 0.205 nan 8.280 nan 0.000 0.634 301 F N 0.476 120.489 119.950 0.104 0.000 2.662 301 F HA 0.133 4.659 4.527 -0.001 0.000 0.312 301 F C -0.064 175.768 175.800 0.053 0.000 1.113 301 F CA -1.155 56.862 58.000 0.029 0.000 0.951 301 F CB 1.128 40.107 39.000 -0.034 0.000 1.344 301 F HN 0.003 nan 8.300 nan 0.000 0.462 302 D N -0.229 120.329 120.400 0.262 0.000 2.346 302 D HA -0.001 4.639 4.640 -0.001 0.000 0.248 302 D C 1.172 177.562 176.300 0.149 0.000 1.173 302 D CA 0.399 54.502 54.000 0.171 0.000 0.878 302 D CB -0.731 40.158 40.800 0.148 0.000 0.919 302 D HN 0.306 nan 8.370 nan 0.000 0.513 303 V N -3.702 116.316 119.914 0.174 0.000 3.649 303 V HA 0.158 4.278 4.120 -0.001 0.000 0.275 303 V C 1.402 177.555 176.094 0.097 0.000 1.281 303 V CA 0.313 62.683 62.300 0.117 0.000 1.143 303 V CB -0.399 31.486 31.823 0.103 0.000 0.892 303 V HN 0.020 nan 8.190 nan 0.000 0.441 304 E N 0.750 121.013 120.200 0.104 0.000 2.364 304 E HA 0.354 4.704 4.350 -0.001 0.000 0.196 304 E C 0.241 176.871 176.600 0.050 0.000 0.990 304 E CA 0.245 56.689 56.400 0.073 0.000 0.886 304 E CB 0.644 30.390 29.700 0.077 0.000 0.866 304 E HN 0.609 nan 8.360 nan 0.000 0.493 305 I N 1.442 122.055 120.570 0.072 0.000 2.441 305 I HA 0.109 4.279 4.170 -0.001 0.000 0.295 305 I C -0.172 176.015 176.117 0.117 0.000 0.994 305 I CA -0.770 60.575 61.300 0.077 0.000 1.144 305 I CB 1.708 39.784 38.000 0.126 0.000 1.314 305 I HN -0.226 nan 8.210 nan 0.000 0.445 306 D N 5.672 126.155 120.400 0.140 0.000 2.551 306 D HA 0.105 4.744 4.640 -0.001 0.000 0.223 306 D C 0.940 177.410 176.300 0.282 0.000 1.144 306 D CA 0.093 54.209 54.000 0.193 0.000 1.025 306 D CB 0.754 41.653 40.800 0.164 0.000 1.085 306 D HN 0.253 nan 8.370 nan 0.000 0.506 307 V N 3.642 123.659 119.914 0.172 0.000 2.255 307 V HA -0.345 3.775 4.120 -0.001 0.000 0.247 307 V C 2.117 178.248 176.094 0.061 0.000 1.051 307 V CA 1.887 64.237 62.300 0.083 0.000 1.018 307 V CB -0.274 31.600 31.823 0.086 0.000 0.641 307 V HN 0.441 nan 8.190 nan 0.000 0.445 308 K N -0.489 119.970 120.400 0.098 0.000 2.066 308 K HA -0.330 3.990 4.320 -0.001 0.000 0.221 308 K C 1.688 178.339 176.600 0.084 0.000 1.056 308 K CA 2.502 58.839 56.287 0.083 0.000 0.950 308 K CB -1.149 31.406 32.500 0.092 0.000 0.726 308 K HN 0.626 nan 8.250 nan 0.000 0.456 309 W N 1.447 122.732 121.300 -0.024 0.000 2.304 309 W HA -0.211 4.449 4.660 -0.001 0.000 0.315 309 W C 1.649 178.085 176.519 -0.139 0.000 1.233 309 W CA 1.682 59.005 57.345 -0.036 0.000 1.261 309 W CB -0.247 29.240 29.460 0.046 0.000 1.150 309 W HN 0.035 nan 8.180 nan 0.000 0.494 310 L N 0.563 121.831 121.223 0.075 0.000 1.955 310 L HA -0.343 3.997 4.340 -0.001 0.000 0.213 310 L C 2.293 178.992 176.870 -0.284 0.000 1.072 310 L CA 1.920 56.549 54.840 -0.352 0.000 0.755 310 L CB -1.246 40.221 42.059 -0.986 0.000 0.888 310 L HN 0.030 nan 8.230 nan 0.000 0.432 311 N N -0.302 118.326 118.700 -0.120 0.000 2.417 311 N HA -0.204 4.536 4.740 -0.001 0.000 0.187 311 N C 1.618 177.082 175.510 -0.075 0.000 1.027 311 N CA 1.196 54.275 53.050 0.047 0.000 0.891 311 N CB -0.064 38.471 38.487 0.079 0.000 0.956 311 N HN 0.492 nan 8.380 nan 0.000 0.442 312 E N 0.112 120.187 120.200 -0.209 0.000 2.094 312 E HA 0.179 4.529 4.350 -0.001 0.000 0.193 312 E C 0.725 177.071 176.600 -0.423 0.000 0.950 312 E CA 0.192 56.425 56.400 -0.278 0.000 0.842 312 E CB 0.174 29.705 29.700 -0.282 0.000 0.816 312 E HN 0.307 nan 8.360 nan 0.000 0.465 313 N N 0.558 118.773 118.700 -0.808 0.000 2.362 313 N HA 0.132 4.871 4.740 -0.001 0.000 0.204 313 N C -0.625 174.542 175.510 -0.570 0.000 1.166 313 N CA -0.180 52.348 53.050 -0.870 0.000 0.831 313 N CB 0.994 38.500 38.487 -1.636 0.000 1.008 313 N HN -0.024 nan 8.380 nan 0.000 0.472 314 A N 0.249 122.860 122.820 -0.348 0.000 2.312 314 A HA 0.397 4.717 4.320 -0.001 0.000 0.326 314 A C 1.344 178.887 177.584 -0.067 0.000 1.172 314 A CA -0.580 51.382 52.037 -0.125 0.000 0.821 314 A CB 1.143 20.179 19.000 0.059 0.000 1.166 314 A HN -0.066 nan 8.150 nan 0.000 0.493 315 V N 1.698 121.592 119.914 -0.033 0.000 2.221 315 V HA -0.100 4.020 4.120 -0.001 0.000 0.240 315 V C 0.999 177.080 176.094 -0.021 0.000 1.041 315 V CA 2.314 64.598 62.300 -0.028 0.000 0.991 315 V CB -0.756 31.060 31.823 -0.012 0.000 0.634 315 V HN 0.972 nan 8.190 nan 0.000 0.450 316 E N 0.282 120.474 120.200 -0.012 0.000 2.288 316 E HA 0.544 4.894 4.350 -0.001 0.000 0.268 316 E C -0.722 175.838 176.600 -0.067 0.000 0.885 316 E CA -0.905 55.474 56.400 -0.035 0.000 0.767 316 E CB 2.120 31.800 29.700 -0.034 0.000 1.220 316 E HN 0.264 nan 8.360 nan 0.000 0.427 317 K N 2.478 122.794 120.400 -0.140 0.000 2.507 317 K HA 0.289 4.608 4.320 -0.001 0.000 0.253 317 K C -0.923 175.519 176.600 -0.263 0.000 0.969 317 K CA -0.756 55.330 56.287 -0.335 0.000 0.908 317 K CB 1.397 33.618 32.500 -0.465 0.000 1.127 317 K HN 0.551 nan 8.250 nan 0.000 0.437 318 V N 1.431 121.210 119.914 -0.226 0.000 2.481 318 V HA 0.394 4.513 4.120 -0.001 0.000 0.286 318 V C -0.201 175.799 176.094 -0.157 0.000 1.042 318 V CA -0.848 61.364 62.300 -0.147 0.000 0.928 318 V CB 1.474 33.243 31.823 -0.089 0.000 0.986 318 V HN 0.842 nan 8.190 nan 0.000 0.462 319 N N 3.449 122.080 118.700 -0.116 0.000 2.645 319 N HA 0.199 4.938 4.740 -0.001 0.000 0.233 319 N C 0.646 176.121 175.510 -0.058 0.000 1.058 319 N CA -0.409 52.585 53.050 -0.094 0.000 0.942 319 N CB 1.128 39.569 38.487 -0.077 0.000 1.210 319 N HN 0.749 nan 8.380 nan 0.000 0.512 320 I N 3.357 123.897 120.570 -0.049 0.000 2.194 320 I HA -0.263 3.907 4.170 -0.001 0.000 0.246 320 I C 0.953 177.058 176.117 -0.021 0.000 1.093 320 I CA 1.685 62.968 61.300 -0.028 0.000 1.355 320 I CB -0.294 37.696 38.000 -0.017 0.000 1.046 320 I HN 0.701 nan 8.210 nan 0.000 0.413 321 K N -2.702 117.685 120.400 -0.021 0.000 2.770 321 K HA 0.388 4.708 4.320 -0.001 0.000 0.289 321 K C -2.962 173.628 176.600 -0.018 0.000 1.051 321 K CA -1.504 54.774 56.287 -0.015 0.000 0.814 321 K CB 0.205 32.701 32.500 -0.007 0.000 1.512 321 K HN -0.451 nan 8.250 nan 0.000 0.368 322 P HA 0.028 nan 4.420 nan 0.000 0.258 322 P C -0.912 176.371 177.300 -0.029 0.000 1.187 322 P CA 0.778 63.864 63.100 -0.024 0.000 0.767 322 P CB 0.468 32.160 31.700 -0.013 0.000 0.770 323 Q N 0.564 120.338 119.800 -0.043 0.000 2.506 323 Q HA -0.126 4.213 4.340 -0.001 0.000 0.268 323 Q C -0.985 175.013 176.000 -0.004 0.000 1.002 323 Q CA 0.853 56.634 55.803 -0.036 0.000 1.052 323 Q CB -1.787 26.925 28.738 -0.043 0.000 1.383 323 Q HN 0.282 nan 8.270 nan 0.000 0.537 324 V N 1.256 121.167 119.914 -0.005 0.000 2.501 324 V HA 0.384 4.503 4.120 -0.001 0.000 0.277 324 V C -0.493 175.597 176.094 -0.007 0.000 1.004 324 V CA -0.660 61.645 62.300 0.009 0.000 0.862 324 V CB 1.844 33.671 31.823 0.006 0.000 1.035 324 V HN 0.219 nan 8.190 nan 0.000 0.448 325 D N 2.615 123.018 120.400 0.004 0.000 2.340 325 D HA 0.726 5.366 4.640 -0.001 0.000 0.243 325 D C -0.105 176.171 176.300 -0.040 0.000 0.988 325 D CA -0.777 53.180 54.000 -0.073 0.000 0.959 325 D CB 1.703 42.404 40.800 -0.165 0.000 1.226 325 D HN 0.421 nan 8.370 nan 0.000 0.509 326 R N 1.547 121.964 120.500 -0.137 0.000 2.521 326 R HA 0.246 4.585 4.340 -0.001 0.000 0.295 326 R C -1.387 174.859 176.300 -0.089 0.000 1.183 326 R CA -0.600 55.481 56.100 -0.030 0.000 0.957 326 R CB 0.169 30.462 30.300 -0.011 0.000 1.171 326 R HN 0.399 nan 8.270 nan 0.000 0.494 327 Y N 2.699 122.985 120.300 -0.024 0.000 2.304 327 Y HA 0.246 4.796 4.550 -0.001 0.000 0.327 327 Y C 0.209 176.100 175.900 -0.015 0.000 1.209 327 Y CA -0.658 57.420 58.100 -0.038 0.000 1.299 327 Y CB 0.821 39.234 38.460 -0.079 0.000 1.249 327 Y HN 0.375 nan 8.280 nan 0.000 0.519 328 L N 4.332 125.629 121.223 0.123 0.000 2.287 328 L HA 0.480 4.820 4.340 -0.001 0.000 0.287 328 L C -1.054 175.866 176.870 0.084 0.000 1.022 328 L CA -0.710 54.183 54.840 0.087 0.000 0.814 328 L CB 0.256 42.341 42.059 0.044 0.000 1.217 328 L HN 0.546 nan 8.230 nan 0.000 0.420 329 L N 4.420 125.702 121.223 0.099 0.000 2.439 329 L HA 0.359 4.699 4.340 -0.001 0.000 0.259 329 L C 1.132 178.032 176.870 0.050 0.000 1.129 329 L CA -0.611 54.283 54.840 0.090 0.000 0.803 329 L CB 0.518 42.659 42.059 0.137 0.000 1.161 329 L HN 0.611 nan 8.230 nan 0.000 0.462 330 K N 1.279 121.701 120.400 0.037 0.000 2.611 330 K HA -0.054 4.266 4.320 -0.001 0.000 0.193 330 K C 0.608 177.211 176.600 0.005 0.000 1.026 330 K CA 0.296 56.591 56.287 0.014 0.000 1.063 330 K CB -0.205 32.299 32.500 0.007 0.000 0.839 330 K HN 0.535 nan 8.250 nan 0.000 0.505 331 N N -1.470 117.224 118.700 -0.009 0.000 2.159 331 N HA 0.047 4.787 4.740 -0.001 0.000 0.217 331 N C 0.954 176.405 175.510 -0.098 0.000 1.223 331 N CA 0.641 53.645 53.050 -0.075 0.000 0.896 331 N CB 1.131 39.533 38.487 -0.142 0.000 1.064 331 N HN 0.140 nan 8.380 nan 0.000 0.518 332 G N 0.030 108.827 108.800 -0.005 0.000 2.232 332 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.226 332 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.226 332 G C -0.374 174.650 174.900 0.206 0.000 0.996 332 G CA -0.180 44.963 45.100 0.072 0.000 0.626 332 G HN 0.594 nan 8.290 nan 0.000 0.509 333 H N 0.758 119.864 119.070 0.061 0.000 2.525 333 H HA 0.624 5.180 4.556 -0.001 0.000 0.339 333 H C 0.508 175.879 175.328 0.073 0.000 1.109 333 H CA -0.698 55.391 56.048 0.068 0.000 1.352 333 H CB 0.824 30.634 29.762 0.079 0.000 1.461 333 H HN 0.105 nan 8.280 nan 0.000 0.533 334 R N 1.558 122.167 120.500 0.182 0.000 2.573 334 R HA 0.405 4.745 4.340 -0.001 0.000 0.272 334 R C -0.659 175.722 176.300 0.135 0.000 1.009 334 R CA -0.620 55.559 56.100 0.131 0.000 1.059 334 R CB 0.863 31.214 30.300 0.086 0.000 1.112 334 R HN 0.512 nan 8.270 nan 0.000 0.517 335 I N 3.151 123.805 120.570 0.141 0.000 2.503 335 I HA 0.241 4.411 4.170 -0.001 0.000 0.282 335 I C -0.734 175.485 176.117 0.169 0.000 1.059 335 I CA -0.703 60.681 61.300 0.141 0.000 1.081 335 I CB 1.360 39.407 38.000 0.079 0.000 1.210 335 I HN 0.493 nan 8.210 nan 0.000 0.450 336 I N 6.647 127.300 120.570 0.139 0.000 2.363 336 I HA 0.131 4.300 4.170 -0.001 0.000 0.292 336 I C 0.004 176.211 176.117 0.151 0.000 1.075 336 I CA 0.174 61.551 61.300 0.128 0.000 1.333 336 I CB 0.440 38.494 38.000 0.090 0.000 1.415 336 I HN 0.261 nan 8.210 nan 0.000 0.502 337 L N 8.340 129.676 121.223 0.189 0.000 2.287 337 L HA 0.558 4.897 4.340 -0.001 0.000 0.287 337 L C -0.639 176.317 176.870 0.143 0.000 1.022 337 L CA -0.373 54.580 54.840 0.187 0.000 0.814 337 L CB 0.962 43.180 42.059 0.265 0.000 1.217 337 L HN 0.462 nan 8.230 nan 0.000 0.420 338 L N 4.807 126.098 121.223 0.113 0.000 2.387 338 L HA 0.568 4.908 4.340 -0.001 0.000 0.266 338 L C 1.526 178.439 176.870 0.072 0.000 1.059 338 L CA -0.438 54.450 54.840 0.079 0.000 0.801 338 L CB 0.836 42.933 42.059 0.064 0.000 1.223 338 L HN 0.786 nan 8.230 nan 0.000 0.456 339 A N 0.693 123.538 122.820 0.043 0.000 2.739 339 A HA -0.309 4.011 4.320 -0.001 0.000 0.295 339 A C 1.018 178.625 177.584 0.039 0.000 1.477 339 A CA 1.506 53.557 52.037 0.025 0.000 0.931 339 A CB -1.928 17.092 19.000 0.034 0.000 0.959 339 A HN 1.038 nan 8.150 nan 0.000 0.555 340 E N -4.544 115.695 120.200 0.064 0.000 2.883 340 E HA -0.182 4.168 4.350 -0.001 0.000 0.271 340 E C 1.535 178.197 176.600 0.105 0.000 1.049 340 E CA 2.223 58.678 56.400 0.092 0.000 0.817 340 E CB -1.496 28.240 29.700 0.060 0.000 1.407 340 E HN 2.526 nan 8.360 nan 0.000 0.434 341 G N -1.474 107.388 108.800 0.105 0.000 2.232 341 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.226 341 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.226 341 G C 0.492 175.456 174.900 0.107 0.000 0.996 341 G CA 0.197 45.364 45.100 0.111 0.000 0.626 341 G HN 0.338 nan 8.290 nan 0.000 0.509 342 R N -0.635 119.924 120.500 0.099 0.000 2.668 342 R HA 0.561 4.900 4.340 -0.001 0.000 0.268 342 R C 0.315 176.663 176.300 0.079 0.000 1.232 342 R CA -0.851 55.310 56.100 0.101 0.000 1.166 342 R CB 0.064 30.430 30.300 0.111 0.000 1.179 342 R HN 0.085 nan 8.270 nan 0.000 0.606 343 L N 1.512 122.778 121.223 0.071 0.000 2.654 343 L HA -0.093 4.247 4.340 -0.001 0.000 0.271 343 L C 1.346 178.243 176.870 0.044 0.000 1.169 343 L CA 0.780 55.649 54.840 0.049 0.000 0.947 343 L CB 0.615 42.693 42.059 0.031 0.000 1.232 343 L HN 0.502 nan 8.230 nan 0.000 0.486 344 V N 5.003 124.944 119.914 0.045 0.000 2.407 344 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 344 V C 2.129 178.245 176.094 0.038 0.000 1.055 344 V CA 2.024 64.349 62.300 0.041 0.000 1.049 344 V CB -0.350 31.500 31.823 0.045 0.000 0.662 344 V HN 1.125 nan 8.190 nan 0.000 0.455 345 N N 0.151 118.876 118.700 0.043 0.000 2.244 345 N HA -0.152 4.588 4.740 -0.001 0.000 0.183 345 N C 1.778 177.308 175.510 0.035 0.000 1.016 345 N CA 1.944 55.027 53.050 0.055 0.000 0.866 345 N CB -0.553 37.996 38.487 0.102 0.000 0.980 345 N HN 0.528 nan 8.380 nan 0.000 0.430 346 L N -0.311 120.916 121.223 0.006 0.000 2.209 346 L HA 0.166 4.505 4.340 -0.001 0.000 0.207 346 L C 2.328 179.213 176.870 0.025 0.000 1.094 346 L CA 1.016 55.844 54.840 -0.019 0.000 0.790 346 L CB -0.276 41.744 42.059 -0.065 0.000 0.932 346 L HN 0.329 nan 8.230 nan 0.000 0.447 347 G N -2.431 106.387 108.800 0.030 0.000 2.986 347 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.213 347 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.213 347 G C 1.006 175.913 174.900 0.012 0.000 1.156 347 G CA 0.220 45.332 45.100 0.021 0.000 0.763 347 G HN 0.396 nan 8.290 nan 0.000 0.547 348 C N -0.233 119.081 119.300 0.024 0.000 3.785 348 C HA 0.762 5.221 4.460 -0.001 0.000 0.312 348 C C 1.118 176.127 174.990 0.033 0.000 1.566 348 C CA -0.011 59.021 59.018 0.023 0.000 1.837 348 C CB -0.423 27.330 27.740 0.021 0.000 2.826 348 C HN 0.552 nan 8.230 nan 0.000 0.667 349 A N 0.062 122.906 122.820 0.040 0.000 2.507 349 A HA 0.814 5.134 4.320 -0.001 0.000 0.284 349 A C -0.119 177.498 177.584 0.055 0.000 1.281 349 A CA -0.176 51.891 52.037 0.049 0.000 0.744 349 A CB 0.436 19.468 19.000 0.053 0.000 1.332 349 A HN 0.018 nan 8.150 nan 0.000 0.454 350 M N 1.353 120.991 119.600 0.064 0.000 2.723 350 M HA 0.269 4.748 4.480 -0.001 0.000 0.270 350 M C 1.053 177.385 176.300 0.053 0.000 1.282 350 M CA 0.651 55.990 55.300 0.065 0.000 0.995 350 M CB -1.294 31.354 32.600 0.079 0.000 1.430 350 M HN 1.437 nan 8.290 nan 0.000 0.477 351 G N 0.831 109.658 108.800 0.044 0.000 2.575 351 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.267 351 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.267 351 G C -0.343 174.656 174.900 0.166 0.000 1.264 351 G CA -0.335 44.783 45.100 0.030 0.000 0.935 351 G HN 0.643 nan 8.290 nan 0.000 0.568 352 H N 1.403 120.456 119.070 -0.028 0.000 2.546 352 H HA 0.404 4.960 4.556 -0.001 0.000 0.365 352 H C -1.786 173.548 175.328 0.010 0.000 1.220 352 H CA -1.154 54.890 56.048 -0.005 0.000 1.386 352 H CB 0.674 30.422 29.762 -0.024 0.000 1.510 352 H HN 0.351 nan 8.280 nan 0.000 0.591 353 P HA 0.006 nan 4.420 nan 0.000 0.273 353 P C 0.250 177.617 177.300 0.112 0.000 1.250 353 P CA -0.064 63.113 63.100 0.129 0.000 0.793 353 P CB 0.732 32.514 31.700 0.137 0.000 1.011 354 S N -0.361 115.404 115.700 0.109 0.000 2.355 354 S HA -0.137 4.333 4.470 -0.001 0.000 0.222 354 S C 1.578 176.224 174.600 0.076 0.000 1.031 354 S CA 0.951 59.198 58.200 0.079 0.000 0.993 354 S CB -1.048 62.208 63.200 0.092 0.000 0.859 354 S HN 0.511 nan 8.310 nan 0.000 0.453 355 F N 2.238 122.195 119.950 0.012 0.000 2.126 355 F HA -0.168 4.359 4.527 -0.001 0.000 0.299 355 F C 2.328 178.065 175.800 -0.104 0.000 1.096 355 F CA 1.408 59.403 58.000 -0.008 0.000 1.255 355 F CB -0.467 38.551 39.000 0.031 0.000 0.997 355 F HN 0.074 nan 8.300 nan 0.000 0.479 356 V N 0.501 120.519 119.914 0.173 0.000 2.237 356 V HA -0.304 3.815 4.120 -0.001 0.000 0.245 356 V C 2.294 178.261 176.094 -0.212 0.000 1.046 356 V CA 2.270 64.662 62.300 0.154 0.000 1.007 356 V CB -0.424 31.621 31.823 0.371 0.000 0.638 356 V HN 0.401 nan 8.190 nan 0.000 0.445 357 M N 0.822 120.299 119.600 -0.204 0.000 2.143 357 M HA -0.150 4.329 4.480 -0.001 0.000 0.258 357 M C 2.520 178.517 176.300 -0.505 0.000 1.071 357 M CA 2.228 57.222 55.300 -0.511 0.000 1.088 357 M CB -1.461 30.834 32.600 -0.509 0.000 1.360 357 M HN 0.606 nan 8.290 nan 0.000 0.404 358 S N -0.502 115.001 115.700 -0.328 0.000 2.419 358 S HA -0.169 4.301 4.470 -0.001 0.000 0.235 358 S C 1.714 176.177 174.600 -0.228 0.000 1.019 358 S CA 1.906 59.992 58.200 -0.191 0.000 0.982 358 S CB -0.246 62.866 63.200 -0.147 0.000 0.789 358 S HN 0.611 nan 8.310 nan 0.000 0.490 359 N N 0.707 119.054 118.700 -0.589 0.000 2.148 359 N HA -0.022 4.718 4.740 -0.001 0.000 0.186 359 N C 2.026 177.382 175.510 -0.257 0.000 1.031 359 N CA 1.504 54.184 53.050 -0.617 0.000 0.848 359 N CB -0.311 37.414 38.487 -1.271 0.000 1.005 359 N HN 0.516 nan 8.380 nan 0.000 0.427 360 S N -0.473 115.089 115.700 -0.230 0.000 2.447 360 S HA -0.019 4.450 4.470 -0.001 0.000 0.233 360 S C 1.371 176.040 174.600 0.115 0.000 1.006 360 S CA 0.666 58.825 58.200 -0.068 0.000 0.957 360 S CB -0.379 62.768 63.200 -0.087 0.000 0.773 360 S HN 0.147 nan 8.310 nan 0.000 0.507 361 F N 2.157 122.073 119.950 -0.056 0.000 2.569 361 F HA 0.261 4.787 4.527 -0.001 0.000 0.295 361 F C 2.561 178.338 175.800 -0.039 0.000 1.115 361 F CA 0.155 58.135 58.000 -0.034 0.000 1.450 361 F CB -1.272 37.704 39.000 -0.040 0.000 1.107 361 F HN 0.234 nan 8.300 nan 0.000 0.563 362 T N -0.209 114.428 114.554 0.139 0.000 2.942 362 T HA -0.101 4.249 4.350 -0.001 0.000 0.265 362 T C 1.931 176.656 174.700 0.042 0.000 1.062 362 T CA 0.834 62.973 62.100 0.065 0.000 1.139 362 T CB -0.110 68.791 68.868 0.055 0.000 0.883 362 T HN 0.163 nan 8.240 nan 0.000 0.468 363 N N 1.230 119.960 118.700 0.050 0.000 2.084 363 N HA -0.120 4.619 4.740 -0.001 0.000 0.190 363 N C 2.042 177.573 175.510 0.034 0.000 1.030 363 N CA 1.188 54.259 53.050 0.035 0.000 0.849 363 N CB -0.299 38.207 38.487 0.031 0.000 1.012 363 N HN 0.322 nan 8.380 nan 0.000 0.423 364 Q N 1.002 120.844 119.800 0.070 0.000 2.061 364 Q HA -0.067 4.272 4.340 -0.001 0.000 0.204 364 Q C 2.060 178.056 176.000 -0.008 0.000 0.984 364 Q CA 1.200 57.030 55.803 0.045 0.000 0.846 364 Q CB -0.226 28.559 28.738 0.079 0.000 0.902 364 Q HN 0.121 nan 8.270 nan 0.000 0.421 365 V N 0.027 119.930 119.914 -0.018 0.000 2.407 365 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 365 V C 2.201 178.241 176.094 -0.089 0.000 1.055 365 V CA 1.917 64.178 62.300 -0.064 0.000 1.049 365 V CB -0.506 31.275 31.823 -0.071 0.000 0.662 365 V HN 0.462 nan 8.190 nan 0.000 0.455 366 M N -0.368 119.192 119.600 -0.067 0.000 2.175 366 M HA -0.136 4.344 4.480 -0.001 0.000 0.264 366 M C 2.391 178.658 176.300 -0.054 0.000 1.063 366 M CA 1.953 57.211 55.300 -0.071 0.000 1.119 366 M CB -0.542 32.042 32.600 -0.026 0.000 1.377 366 M HN 0.414 nan 8.290 nan 0.000 0.415 367 A N 0.018 122.810 122.820 -0.046 0.000 1.940 367 A HA -0.193 4.126 4.320 -0.001 0.000 0.219 367 A C 2.080 179.607 177.584 -0.095 0.000 1.176 367 A CA 1.344 53.337 52.037 -0.072 0.000 0.631 367 A CB -0.540 18.427 19.000 -0.054 0.000 0.814 367 A HN 0.458 nan 8.150 nan 0.000 0.446 368 Q N -0.138 119.615 119.800 -0.078 0.000 2.050 368 Q HA -0.128 4.212 4.340 -0.001 0.000 0.202 368 Q C 2.211 178.188 176.000 -0.038 0.000 0.980 368 Q CA 1.578 57.336 55.803 -0.076 0.000 0.840 368 Q CB -0.536 28.141 28.738 -0.101 0.000 0.898 368 Q HN 0.788 nan 8.270 nan 0.000 0.424 369 I N 1.017 121.550 120.570 -0.061 0.000 2.163 369 I HA -0.270 3.900 4.170 -0.001 0.000 0.243 369 I C 2.363 178.477 176.117 -0.004 0.000 1.085 369 I CA 1.103 62.383 61.300 -0.034 0.000 1.347 369 I CB -0.366 37.552 38.000 -0.137 0.000 1.044 369 I HN 0.171 nan 8.210 nan 0.000 0.408 370 E N 0.740 120.948 120.200 0.013 0.000 2.005 370 E HA -0.230 4.120 4.350 -0.001 0.000 0.198 370 E C 2.222 178.803 176.600 -0.031 0.000 1.010 370 E CA 1.307 57.772 56.400 0.108 0.000 0.825 370 E CB -0.588 29.121 29.700 0.015 0.000 0.769 370 E HN 0.236 nan 8.360 nan 0.000 0.456 371 L N 0.357 121.443 121.223 -0.228 0.000 2.089 371 L HA -0.201 4.138 4.340 -0.001 0.000 0.213 371 L C 1.997 178.877 176.870 0.015 0.000 1.079 371 L CA 1.502 56.217 54.840 -0.209 0.000 0.758 371 L CB -0.700 41.248 42.059 -0.185 0.000 0.891 371 L HN 0.437 nan 8.230 nan 0.000 0.433 372 W N -1.724 119.485 121.300 -0.152 0.000 3.220 372 W HA 0.105 4.765 4.660 -0.001 0.000 0.328 372 W C 0.781 177.205 176.519 -0.158 0.000 1.205 372 W CA 0.665 57.931 57.345 -0.131 0.000 1.773 372 W CB 0.354 29.738 29.460 -0.125 0.000 1.086 372 W HN 0.069 nan 8.180 nan 0.000 0.622 373 T N -0.551 113.867 114.554 -0.226 0.000 2.975 373 T HA 0.119 4.468 4.350 -0.001 0.000 0.261 373 T C 0.122 174.424 174.700 -0.665 0.000 0.984 373 T CA 0.496 62.304 62.100 -0.487 0.000 0.911 373 T CB 0.093 68.647 68.868 -0.523 0.000 1.127 373 T HN 0.007 nan 8.240 nan 0.000 0.514 374 H N 0.516 119.604 119.070 0.031 0.000 2.651 374 H HA 0.257 4.813 4.556 -0.001 0.000 0.241 374 H C -1.845 173.567 175.328 0.140 0.000 1.225 374 H CA -1.843 54.262 56.048 0.095 0.000 0.942 374 H CB 0.343 30.226 29.762 0.202 0.000 1.996 374 H HN 0.211 nan 8.280 nan 0.000 0.600 375 P HA -0.207 nan 4.420 nan 0.000 0.217 375 P C 0.839 178.185 177.300 0.078 0.000 1.158 375 P CA 1.378 64.523 63.100 0.076 0.000 0.887 375 P CB 0.472 32.145 31.700 -0.045 0.000 0.792 376 D N -0.136 120.285 120.400 0.035 0.000 2.172 376 D HA -0.171 4.468 4.640 -0.001 0.000 0.196 376 D C 1.937 178.210 176.300 -0.045 0.000 0.999 376 D CA 1.302 55.300 54.000 -0.003 0.000 0.856 376 D CB -0.415 40.381 40.800 -0.007 0.000 0.934 376 D HN 0.295 nan 8.370 nan 0.000 0.453 377 K N -0.674 119.687 120.400 -0.065 0.000 2.288 377 K HA -0.043 4.276 4.320 -0.001 0.000 0.201 377 K C -0.156 176.061 176.600 -0.639 0.000 1.048 377 K CA 0.524 56.608 56.287 -0.339 0.000 0.956 377 K CB 0.225 32.446 32.500 -0.465 0.000 0.746 377 K HN 0.305 nan 8.250 nan 0.000 0.461 378 Y N 1.558 121.743 120.300 -0.190 0.000 2.805 378 Y HA 0.240 4.790 4.550 -0.001 0.000 0.339 378 Y C -2.248 173.509 175.900 -0.238 0.000 1.012 378 Y CA -3.078 54.756 58.100 -0.443 0.000 1.262 378 Y CB 0.600 38.782 38.460 -0.463 0.000 1.100 378 Y HN 0.005 nan 8.280 nan 0.000 0.559 379 P HA 0.044 nan 4.420 nan 0.000 0.273 379 P C -0.031 177.385 177.300 0.193 0.000 1.250 379 P CA -0.280 62.873 63.100 0.089 0.000 0.793 379 P CB 1.322 33.077 31.700 0.092 0.000 1.011 380 V N 0.862 120.857 119.914 0.135 0.000 2.475 380 V HA 0.373 4.493 4.120 -0.001 0.000 0.292 380 V C 1.218 177.410 176.094 0.164 0.000 1.003 380 V CA 1.758 64.141 62.300 0.140 0.000 1.120 380 V CB -0.874 30.997 31.823 0.081 0.000 0.937 380 V HN 1.068 nan 8.190 nan 0.000 0.476 381 G N 3.483 112.399 108.800 0.194 0.000 2.313 381 G HA2 0.352 4.311 3.960 -0.001 0.000 0.296 381 G HA3 0.352 4.311 3.960 -0.001 0.000 0.296 381 G C -1.507 173.393 174.900 -0.000 0.000 1.356 381 G CA -0.156 44.963 45.100 0.032 0.000 0.833 381 G HN 0.776 nan 8.290 nan 0.000 0.552 382 V N 1.181 120.949 119.914 -0.242 0.000 2.333 382 V HA 0.708 4.827 4.120 -0.001 0.000 0.274 382 V C -0.330 175.612 176.094 -0.254 0.000 1.028 382 V CA -0.458 61.708 62.300 -0.223 0.000 0.851 382 V CB 0.057 31.533 31.823 -0.577 0.000 1.000 382 V HN 0.790 nan 8.190 nan 0.000 0.456 383 H N 6.242 125.368 119.070 0.094 0.000 2.559 383 H HA 0.663 5.218 4.556 -0.001 0.000 0.343 383 H C -0.868 174.730 175.328 0.450 0.000 1.209 383 H CA -0.588 55.587 56.048 0.212 0.000 1.287 383 H CB 1.130 31.113 29.762 0.367 0.000 1.650 383 H HN 0.555 nan 8.280 nan 0.000 0.567 384 F N 0.673 120.783 119.950 0.267 0.000 2.450 384 F HA 0.228 4.755 4.527 -0.001 0.000 0.332 384 F C -0.080 175.848 175.800 0.213 0.000 1.093 384 F CA -1.282 56.835 58.000 0.195 0.000 1.003 384 F CB 0.983 40.078 39.000 0.158 0.000 1.151 384 F HN 0.249 nan 8.300 nan 0.000 0.474 385 L N 6.439 127.834 121.223 0.287 0.000 2.453 385 L HA 0.298 4.637 4.340 -0.001 0.000 0.272 385 L C -1.890 175.101 176.870 0.202 0.000 1.182 385 L CA -1.609 53.355 54.840 0.207 0.000 0.858 385 L CB -0.320 41.800 42.059 0.102 0.000 1.120 385 L HN 0.343 nan 8.230 nan 0.000 0.474 386 P HA -0.028 nan 4.420 nan 0.000 0.267 386 P C -0.049 177.318 177.300 0.113 0.000 1.200 386 P CA -0.141 63.044 63.100 0.141 0.000 0.772 386 P CB 0.520 32.283 31.700 0.106 0.000 0.855 387 K N 2.889 123.353 120.400 0.107 0.000 2.097 387 K HA -0.165 4.155 4.320 -0.001 0.000 0.206 387 K C 1.869 178.514 176.600 0.076 0.000 1.049 387 K CA 1.183 57.532 56.287 0.103 0.000 0.933 387 K CB -0.167 32.400 32.500 0.112 0.000 0.717 387 K HN 0.112 nan 8.250 nan 0.000 0.442 388 K N 0.829 121.254 120.400 0.042 0.000 2.281 388 K HA -0.099 4.221 4.320 -0.001 0.000 0.203 388 K C 1.790 178.419 176.600 0.048 0.000 1.046 388 K CA 1.031 57.328 56.287 0.016 0.000 0.938 388 K CB -0.042 32.448 32.500 -0.016 0.000 0.737 388 K HN 0.323 nan 8.250 nan 0.000 0.458 389 L N -0.021 121.240 121.223 0.064 0.000 2.307 389 L HA -0.105 4.234 4.340 -0.001 0.000 0.211 389 L C 2.078 178.989 176.870 0.068 0.000 1.099 389 L CA 0.524 55.405 54.840 0.070 0.000 0.816 389 L CB -0.224 41.880 42.059 0.075 0.000 0.952 389 L HN 0.077 nan 8.230 nan 0.000 0.455 390 D N 0.691 121.132 120.400 0.069 0.000 2.078 390 D HA -0.210 4.429 4.640 -0.001 0.000 0.193 390 D C 1.941 178.284 176.300 0.072 0.000 0.990 390 D CA 1.375 55.408 54.000 0.055 0.000 0.827 390 D CB 0.120 40.948 40.800 0.047 0.000 0.975 390 D HN 0.298 nan 8.370 nan 0.000 0.451 391 E N 0.454 120.715 120.200 0.101 0.000 2.187 391 E HA -0.234 4.115 4.350 -0.001 0.000 0.199 391 E C 2.089 178.766 176.600 0.127 0.000 1.004 391 E CA 1.117 57.603 56.400 0.143 0.000 0.813 391 E CB -0.210 29.612 29.700 0.202 0.000 0.736 391 E HN 0.304 nan 8.360 nan 0.000 0.468 392 A N 1.416 124.296 122.820 0.102 0.000 1.902 392 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 392 A C 2.597 180.230 177.584 0.082 0.000 1.181 392 A CA 1.376 53.467 52.037 0.090 0.000 0.623 392 A CB -0.687 18.362 19.000 0.081 0.000 0.818 392 A HN 0.142 nan 8.150 nan 0.000 0.443 393 V N -0.173 119.789 119.914 0.080 0.000 2.407 393 V HA -0.235 3.885 4.120 -0.001 0.000 0.248 393 V C 2.948 179.152 176.094 0.183 0.000 1.055 393 V CA 1.905 64.260 62.300 0.092 0.000 1.049 393 V CB -1.348 30.507 31.823 0.054 0.000 0.662 393 V HN 0.623 nan 8.190 nan 0.000 0.455 394 A N -0.501 122.407 122.820 0.148 0.000 1.840 394 A HA -0.177 4.143 4.320 -0.001 0.000 0.214 394 A C 2.305 179.999 177.584 0.183 0.000 1.198 394 A CA 1.429 53.574 52.037 0.179 0.000 0.608 394 A CB -0.597 18.490 19.000 0.145 0.000 0.839 394 A HN 0.421 nan 8.150 nan 0.000 0.443 395 E N 0.315 120.597 120.200 0.136 0.000 2.147 395 E HA -0.238 4.112 4.350 -0.001 0.000 0.199 395 E C 2.034 178.674 176.600 0.067 0.000 1.005 395 E CA 1.369 57.834 56.400 0.108 0.000 0.810 395 E CB -0.335 29.426 29.700 0.103 0.000 0.736 395 E HN 0.492 nan 8.360 nan 0.000 0.460 396 A N -0.082 122.747 122.820 0.015 0.000 2.216 396 A HA -0.136 4.183 4.320 -0.001 0.000 0.214 396 A C 1.536 178.957 177.584 -0.273 0.000 1.160 396 A CA 0.972 52.929 52.037 -0.133 0.000 0.725 396 A CB -0.395 18.476 19.000 -0.215 0.000 0.784 396 A HN 0.287 nan 8.150 nan 0.000 0.472 397 H N -2.165 116.923 119.070 0.030 0.000 2.874 397 H HA 0.155 4.710 4.556 -0.001 0.000 0.264 397 H C 1.077 176.518 175.328 0.188 0.000 1.007 397 H CA 0.013 56.121 56.048 0.099 0.000 1.207 397 H CB 0.309 30.085 29.762 0.023 0.000 1.487 397 H HN 0.334 nan 8.280 nan 0.000 0.505 398 L N 0.880 122.233 121.223 0.217 0.000 2.353 398 L HA -0.039 4.301 4.340 -0.001 0.000 0.220 398 L C 2.408 179.344 176.870 0.111 0.000 1.133 398 L CA 1.237 56.170 54.840 0.155 0.000 0.798 398 L CB -0.855 41.270 42.059 0.110 0.000 0.922 398 L HN 0.271 nan 8.230 nan 0.000 0.445 399 G N -1.094 107.765 108.800 0.099 0.000 2.456 399 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.213 399 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.213 399 G C 1.662 176.609 174.900 0.079 0.000 1.215 399 G CA 0.678 45.818 45.100 0.067 0.000 0.805 399 G HN 0.234 nan 8.290 nan 0.000 0.537 400 K N 0.710 121.184 120.400 0.123 0.000 2.071 400 K HA -0.184 4.135 4.320 -0.001 0.000 0.217 400 K C 2.216 178.848 176.600 0.053 0.000 1.054 400 K CA 1.846 58.208 56.287 0.125 0.000 0.937 400 K CB -0.794 31.875 32.500 0.282 0.000 0.719 400 K HN 0.356 nan 8.250 nan 0.000 0.454 401 L N -0.259 120.990 121.223 0.044 0.000 2.627 401 L HA 0.262 4.601 4.340 -0.001 0.000 0.233 401 L C 0.188 177.057 176.870 -0.002 0.000 1.144 401 L CA 0.234 55.058 54.840 -0.026 0.000 0.892 401 L CB -1.188 40.828 42.059 -0.072 0.000 1.039 401 L HN 0.266 nan 8.230 nan 0.000 0.442 402 N N 0.655 119.369 118.700 0.022 0.000 2.671 402 N HA -0.187 4.553 4.740 -0.001 0.000 0.261 402 N C -0.566 174.952 175.510 0.015 0.000 1.053 402 N CA 0.898 53.958 53.050 0.017 0.000 0.732 402 N CB -0.815 37.675 38.487 0.005 0.000 0.887 402 N HN 0.467 nan 8.380 nan 0.000 0.546 403 V N -0.583 119.347 119.914 0.027 0.000 2.459 403 V HA 0.675 4.794 4.120 -0.001 0.000 0.295 403 V C 0.349 176.456 176.094 0.023 0.000 1.029 403 V CA -0.941 61.372 62.300 0.022 0.000 0.874 403 V CB 1.709 33.551 31.823 0.032 0.000 0.985 403 V HN 0.223 nan 8.190 nan 0.000 0.438 404 K N 4.977 125.385 120.400 0.013 0.000 2.292 404 K HA 0.490 4.810 4.320 -0.001 0.000 0.290 404 K C -0.598 176.005 176.600 0.006 0.000 1.083 404 K CA -0.273 56.020 56.287 0.010 0.000 0.918 404 K CB 0.774 33.277 32.500 0.005 0.000 1.089 404 K HN 0.756 nan 8.250 nan 0.000 0.473 405 L N 3.405 124.633 121.223 0.009 0.000 2.360 405 L HA 0.185 4.525 4.340 -0.001 0.000 0.276 405 L C -0.257 176.605 176.870 -0.013 0.000 1.121 405 L CA 0.604 55.441 54.840 -0.004 0.000 0.845 405 L CB 0.790 42.853 42.059 0.006 0.000 1.143 405 L HN 0.573 nan 8.230 nan 0.000 0.452 406 T N 5.413 119.947 114.554 -0.032 0.000 2.884 406 T HA 0.164 4.514 4.350 -0.001 0.000 0.298 406 T C 0.104 174.781 174.700 -0.038 0.000 0.998 406 T CA -0.294 61.787 62.100 -0.031 0.000 1.124 406 T CB 0.348 69.193 68.868 -0.039 0.000 0.931 406 T HN 0.318 nan 8.240 nan 0.000 0.531 407 K N 3.424 123.818 120.400 -0.011 0.000 2.235 407 K HA 0.299 4.619 4.320 -0.001 0.000 0.266 407 K C -0.242 176.370 176.600 0.021 0.000 0.980 407 K CA -0.791 55.503 56.287 0.012 0.000 0.849 407 K CB 1.120 33.641 32.500 0.035 0.000 1.098 407 K HN 0.324 nan 8.250 nan 0.000 0.445 408 L N 2.730 123.977 121.223 0.040 0.000 2.489 408 L HA 0.029 4.368 4.340 -0.001 0.000 0.285 408 L C 0.551 177.456 176.870 0.058 0.000 1.259 408 L CA 1.023 55.898 54.840 0.057 0.000 0.828 408 L CB 0.358 42.489 42.059 0.120 0.000 1.094 408 L HN 0.816 nan 8.230 nan 0.000 0.524 409 T N -1.346 113.239 114.554 0.052 0.000 2.876 409 T HA 0.342 4.692 4.350 -0.001 0.000 0.289 409 T C 0.799 175.529 174.700 0.051 0.000 1.014 409 T CA -0.803 61.323 62.100 0.043 0.000 0.986 409 T CB 1.501 70.385 68.868 0.027 0.000 1.021 409 T HN 0.550 nan 8.240 nan 0.000 0.458 410 E N 1.648 121.875 120.200 0.046 0.000 2.181 410 E HA -0.305 4.045 4.350 -0.001 0.000 0.225 410 E C 1.743 178.377 176.600 0.055 0.000 1.073 410 E CA 1.940 58.367 56.400 0.046 0.000 0.916 410 E CB -0.240 29.480 29.700 0.035 0.000 0.793 410 E HN 0.813 nan 8.360 nan 0.000 0.472 411 K N 0.414 120.844 120.400 0.050 0.000 2.020 411 K HA -0.215 4.105 4.320 -0.001 0.000 0.212 411 K C 2.345 179.002 176.600 0.095 0.000 1.050 411 K CA 1.769 58.093 56.287 0.062 0.000 0.929 411 K CB -0.116 32.407 32.500 0.037 0.000 0.714 411 K HN 0.183 nan 8.250 nan 0.000 0.443 412 Q N -0.296 119.548 119.800 0.073 0.000 1.975 412 Q HA -0.197 4.143 4.340 -0.001 0.000 0.205 412 Q C 2.167 178.254 176.000 0.146 0.000 0.990 412 Q CA 1.793 57.653 55.803 0.095 0.000 0.845 412 Q CB -0.328 28.441 28.738 0.052 0.000 0.913 412 Q HN 0.431 nan 8.270 nan 0.000 0.420 413 A N 0.739 123.626 122.820 0.111 0.000 1.915 413 A HA -0.367 3.952 4.320 -0.001 0.000 0.220 413 A C 2.017 179.661 177.584 0.100 0.000 1.198 413 A CA 2.250 54.353 52.037 0.110 0.000 0.647 413 A CB -0.832 18.222 19.000 0.091 0.000 0.825 413 A HN 0.361 nan 8.150 nan 0.000 0.456 414 Q N -1.970 117.887 119.800 0.095 0.000 2.002 414 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 414 Q C 1.958 178.007 176.000 0.083 0.000 0.988 414 Q CA 2.273 58.121 55.803 0.075 0.000 0.843 414 Q CB -0.578 28.205 28.738 0.074 0.000 0.908 414 Q HN 0.775 nan 8.270 nan 0.000 0.420 415 Y N 0.272 120.583 120.300 0.018 0.000 2.102 415 Y HA -0.282 4.267 4.550 -0.001 0.000 0.280 415 Y C 1.611 177.522 175.900 0.019 0.000 1.178 415 Y CA 1.921 60.031 58.100 0.017 0.000 1.146 415 Y CB -0.172 38.298 38.460 0.016 0.000 0.968 415 Y HN 0.130 nan 8.280 nan 0.000 0.504 416 L N -0.470 120.839 121.223 0.143 0.000 2.291 416 L HA 0.063 4.402 4.340 -0.001 0.000 0.214 416 L C 1.526 178.391 176.870 -0.008 0.000 1.120 416 L CA 0.725 55.606 54.840 0.068 0.000 0.799 416 L CB -0.858 41.286 42.059 0.141 0.000 0.925 416 L HN 0.494 nan 8.230 nan 0.000 0.446 417 G N 1.547 110.345 108.800 -0.003 0.000 2.326 417 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.286 417 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.286 417 G C -0.124 174.776 174.900 -0.000 0.000 1.096 417 G CA 0.543 45.633 45.100 -0.016 0.000 1.003 417 G HN 0.396 nan 8.290 nan 0.000 0.503 418 M N -1.525 118.087 119.600 0.021 0.000 2.534 418 M HA 0.722 5.202 4.480 -0.001 0.000 0.280 418 M C -2.990 173.316 176.300 0.010 0.000 1.217 418 M CA -2.273 53.034 55.300 0.010 0.000 0.893 418 M CB 2.182 34.807 32.600 0.042 0.000 1.730 418 M HN -0.052 nan 8.290 nan 0.000 0.483 419 P HA 0.116 nan 4.420 nan 0.000 0.271 419 P C 0.783 178.074 177.300 -0.014 0.000 1.220 419 P CA -0.098 62.976 63.100 -0.044 0.000 0.768 419 P CB 0.831 32.477 31.700 -0.090 0.000 0.848 420 I N 2.036 122.635 120.570 0.049 0.000 2.479 420 I HA -0.349 3.821 4.170 -0.001 0.000 0.258 420 I C 0.319 176.536 176.117 0.168 0.000 1.165 420 I CA 1.972 63.347 61.300 0.124 0.000 1.422 420 I CB 0.058 38.112 38.000 0.089 0.000 1.087 420 I HN 0.257 nan 8.210 nan 0.000 0.441 421 N N 0.302 119.015 118.700 0.022 0.000 2.360 421 N HA 0.159 4.898 4.740 -0.001 0.000 0.211 421 N C 0.822 176.141 175.510 -0.317 0.000 1.147 421 N CA 0.606 53.646 53.050 -0.016 0.000 0.866 421 N CB -0.232 38.262 38.487 0.012 0.000 1.206 421 N HN 0.313 nan 8.380 nan 0.000 0.478 422 G N 1.830 110.442 108.800 -0.314 0.000 2.794 422 G HA2 0.148 4.108 3.960 -0.001 0.000 0.249 422 G HA3 0.148 4.108 3.960 -0.001 0.000 0.249 422 G C -2.432 172.050 174.900 -0.698 0.000 1.236 422 G CA -0.487 44.397 45.100 -0.360 0.000 0.880 422 G HN -0.017 nan 8.290 nan 0.000 0.586 423 P HA 0.021 nan 4.420 nan 0.000 0.261 423 P C -0.138 176.908 177.300 -0.424 0.000 1.173 423 P CA 0.357 63.228 63.100 -0.382 0.000 0.760 423 P CB 0.123 31.741 31.700 -0.138 0.000 0.783 424 F N 1.883 121.831 119.950 -0.003 0.000 2.765 424 F HA 0.210 4.736 4.527 -0.001 0.000 0.302 424 F C 1.221 176.948 175.800 -0.123 0.000 1.111 424 F CA 0.584 58.557 58.000 -0.045 0.000 1.359 424 F CB 0.011 38.990 39.000 -0.034 0.000 1.097 424 F HN 0.087 nan 8.300 nan 0.000 0.577 425 K N -0.137 120.269 120.400 0.010 0.000 2.508 425 K HA 0.410 4.730 4.320 -0.001 0.000 0.260 425 K C -2.719 173.833 176.600 -0.080 0.000 0.949 425 K CA -1.993 54.202 56.287 -0.154 0.000 0.834 425 K CB 1.936 34.144 32.500 -0.487 0.000 1.365 425 K HN -0.315 nan 8.250 nan 0.000 0.437 426 P HA 0.007 nan 4.420 nan 0.000 0.271 426 P C -0.040 177.201 177.300 -0.098 0.000 1.244 426 P CA -0.136 62.867 63.100 -0.161 0.000 0.793 426 P CB 0.519 32.012 31.700 -0.345 0.000 0.984 427 D N -0.408 119.917 120.400 -0.125 0.000 2.183 427 D HA -0.135 4.505 4.640 -0.001 0.000 0.203 427 D C 1.446 177.804 176.300 0.098 0.000 0.969 427 D CA 1.491 55.509 54.000 0.029 0.000 0.842 427 D CB -0.397 40.437 40.800 0.057 0.000 0.957 427 D HN 0.613 nan 8.370 nan 0.000 0.484 428 H N -1.536 117.625 119.070 0.152 0.000 2.556 428 H HA 0.006 4.562 4.556 -0.001 0.000 0.268 428 H C 0.209 175.609 175.328 0.119 0.000 0.996 428 H CA -0.450 55.674 56.048 0.127 0.000 1.157 428 H CB -1.333 28.479 29.762 0.082 0.000 1.355 428 H HN 0.042 nan 8.280 nan 0.000 0.597 429 Y N 2.774 123.137 120.300 0.106 0.000 2.895 429 Y HA -0.091 4.459 4.550 -0.001 0.000 0.334 429 Y C 1.033 176.964 175.900 0.051 0.000 1.261 429 Y CA 0.315 58.424 58.100 0.015 0.000 1.560 429 Y CB 0.542 38.861 38.460 -0.236 0.000 1.253 429 Y HN 0.215 nan 8.280 nan 0.000 0.582 430 R N 3.962 124.129 120.500 -0.555 0.000 2.362 430 R HA 0.081 4.420 4.340 -0.001 0.000 0.227 430 R C -0.583 175.647 176.300 -0.116 0.000 0.905 430 R CA -0.187 55.791 56.100 -0.204 0.000 1.067 430 R CB -0.004 30.205 30.300 -0.152 0.000 1.078 430 R HN 0.800 nan 8.270 nan 0.000 0.516 431 Y N 0.000 119.995 120.300 -0.508 0.000 2.660 431 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 431 Y CA 0.000 58.069 58.100 -0.051 0.000 1.940 431 Y CB 0.000 38.557 38.460 0.162 0.000 1.050 431 Y HN 0.000 nan 8.280 nan 0.000 0.758