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 3k1q_1_J DATA FIRST_RESID 10 DATA SEQUENCE TYNITGDGNS FTPTSDMTST AAPAIDLKPG VLNPTGKLWR PVGTSVATID DATA SEQUENCE SLAIVSDRFG QYSFVNEGMR ETFSKALFDI NMWQPLFQAT KTGCGPIVLS DATA SEQUENCE SFTTTTSGYV GATAGDALDN PVTNGVFIST VQIMNLQRTI AARMRDVALW DATA SEQUENCE QKHLDTAMTM LTPDISAGSA SCNWKSLLAF AKDILPLDNL CLTYPNEFYN DATA SEQUENCE VAIHRYPALK PGNPDTKLPD AQAHPLGEVA GAFNAATSEV GSLVGSSSTL DATA SEQUENCE SQAISTMAGK DLDLIEADTP LPVSVFTPSL APRSYRPAFI KPEDAKWIAE DATA SEQUENCE FNNSSLIRKT LTYSGATYTV QLGPGPTRVI DMNAMIDSVL TLDVSGTILP DATA SEQUENCE YDTNPDLSTS VPAFVLIQTS VPIQQVTTAA NITAITVVSA AGASAINLAI DATA SEQUENCE NVRGQPRFNM LHLQATFERE TITGIPYIYG LGTFLIPSPT SSSNFSNPTL DATA SEQUENCE MDGLLTVTPV LLRETTYKGE VVDAIVPATV MANQTSEEVA SALANDAIVL DATA SEQUENCE VSNHLNKLAN VVGDAIPVAS RTDDSATSAI VSRLAVQHKL SQVGQASPTP DATA SEQUENCE PDYPLLWRRA KRAASMFVSN PSLALQVGIP VLTQSGMLSA LTSGVGTALR DATA SEQUENCE TGSLGKGVTD ASEKLRARQS LTVAKQAFFD QIGSLWPGK 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.610 174.700 -0.149 0.000 1.109 10 T CA 0.000 62.024 62.100 -0.126 0.000 1.349 10 T CB 0.000 68.731 68.868 -0.229 0.000 0.612 11 Y N 2.285 122.611 120.300 0.043 0.000 2.360 11 Y HA 0.676 5.226 4.550 0.000 0.000 0.337 11 Y C 0.260 176.164 175.900 0.005 0.000 1.039 11 Y CA -1.475 56.643 58.100 0.030 0.000 1.109 11 Y CB 0.471 38.957 38.460 0.045 0.000 1.201 11 Y HN 0.773 nan 8.280 nan 0.000 0.458 12 N N 3.796 122.503 118.700 0.012 0.000 2.256 12 N HA -0.140 4.600 4.740 0.000 0.000 0.277 12 N C 0.928 176.467 175.510 0.048 0.000 1.362 12 N CA 0.506 53.552 53.050 -0.006 0.000 0.861 12 N CB 0.360 38.850 38.487 0.005 0.000 1.136 12 N HN 0.881 nan 8.380 nan 0.000 0.492 13 I N 1.122 121.633 120.570 -0.098 0.000 2.493 13 I HA -0.067 4.103 4.170 0.000 0.000 0.254 13 I C 1.284 177.208 176.117 -0.321 0.000 1.160 13 I CA 0.943 62.090 61.300 -0.256 0.000 1.445 13 I CB -0.634 37.040 38.000 -0.543 0.000 1.086 13 I HN 0.554 nan 8.210 nan 0.000 0.433 14 T N -0.527 113.910 114.554 -0.194 0.000 3.624 14 T HA 0.595 4.945 4.350 0.000 0.000 0.231 14 T C 0.496 175.134 174.700 -0.104 0.000 0.865 14 T CA -0.158 61.844 62.100 -0.162 0.000 0.926 14 T CB -1.014 67.781 68.868 -0.121 0.000 1.189 14 T HN 0.487 nan 8.240 nan 0.000 0.640 15 G N 0.739 109.480 108.800 -0.099 0.000 2.788 15 G HA2 0.620 4.580 3.960 0.000 0.000 0.293 15 G HA3 0.620 4.580 3.960 0.000 0.000 0.293 15 G C -1.337 173.531 174.900 -0.053 0.000 1.305 15 G CA -0.959 44.109 45.100 -0.053 0.000 1.005 15 G HN 0.509 nan 8.290 nan 0.000 0.496 16 D N -1.771 118.614 120.400 -0.025 0.000 2.252 16 D HA 0.530 5.170 4.640 0.000 0.000 0.245 16 D C 0.693 176.999 176.300 0.010 0.000 1.009 16 D CA -0.047 53.946 54.000 -0.012 0.000 0.870 16 D CB 1.788 42.581 40.800 -0.012 0.000 1.251 16 D HN 1.339 nan 8.370 nan 0.000 0.460 17 G N 2.231 111.048 108.800 0.029 0.000 2.284 17 G HA2 -0.251 3.709 3.960 0.000 0.000 0.201 17 G HA3 -0.251 3.709 3.960 0.000 0.000 0.201 17 G C 0.028 174.981 174.900 0.088 0.000 0.998 17 G CA -0.067 45.060 45.100 0.045 0.000 0.651 17 G HN 0.849 nan 8.290 nan 0.000 0.489 18 N N 1.405 120.182 118.700 0.129 0.000 2.434 18 N HA 0.418 5.158 4.740 0.000 0.000 0.268 18 N C -0.002 175.771 175.510 0.438 0.000 1.256 18 N CA 0.781 53.999 53.050 0.280 0.000 0.914 18 N CB 1.326 39.968 38.487 0.258 0.000 1.088 18 N HN 0.288 nan 8.380 nan 0.000 0.478 19 S N 2.434 118.329 115.700 0.325 0.000 2.548 19 S HA 0.294 4.764 4.470 0.000 0.000 0.277 19 S C -0.860 173.733 174.600 -0.012 0.000 1.315 19 S CA -0.755 57.547 58.200 0.171 0.000 1.050 19 S CB -0.272 62.959 63.200 0.052 0.000 0.918 19 S HN 0.546 nan 8.310 nan 0.000 0.497 20 F N 5.187 124.945 119.950 -0.321 0.000 2.366 20 F HA 0.377 4.904 4.527 0.000 0.000 0.357 20 F C 0.252 175.798 175.800 -0.423 0.000 1.107 20 F CA -0.530 57.056 58.000 -0.690 0.000 1.208 20 F CB 0.574 39.119 39.000 -0.759 0.000 1.464 20 F HN 0.560 nan 8.300 nan 0.000 0.501 21 T N 2.935 117.192 114.554 -0.495 0.000 3.250 21 T HA 0.407 4.757 4.350 0.000 0.000 0.391 21 T C -3.010 171.409 174.700 -0.468 0.000 1.502 21 T CA -2.295 59.562 62.100 -0.405 0.000 1.320 21 T CB 0.569 69.317 68.868 -0.201 0.000 1.102 21 T HN 0.252 nan 8.240 nan 0.000 0.610 22 P HA 0.261 nan 4.420 nan 0.000 0.276 22 P C -0.104 177.052 177.300 -0.239 0.000 1.264 22 P CA 0.166 63.000 63.100 -0.443 0.000 0.769 22 P CB 0.599 31.973 31.700 -0.543 0.000 0.840 23 T N -1.320 113.128 114.554 -0.177 0.000 2.893 23 T HA 0.311 4.661 4.350 0.000 0.000 0.291 23 T C 1.368 176.021 174.700 -0.078 0.000 1.028 23 T CA -0.482 61.554 62.100 -0.106 0.000 0.995 23 T CB 1.179 69.991 68.868 -0.092 0.000 1.051 23 T HN 0.223 nan 8.240 nan 0.000 0.470 24 S N 0.470 116.140 115.700 -0.049 0.000 2.400 24 S HA -0.236 4.234 4.470 0.000 0.000 0.232 24 S C 1.505 176.090 174.600 -0.025 0.000 1.025 24 S CA 1.466 59.648 58.200 -0.030 0.000 0.993 24 S CB -0.763 62.427 63.200 -0.017 0.000 0.808 24 S HN 0.856 nan 8.310 nan 0.000 0.478 25 D N 1.167 121.545 120.400 -0.036 0.000 2.149 25 D HA -0.090 4.550 4.640 0.000 0.000 0.198 25 D C 0.885 177.160 176.300 -0.042 0.000 0.990 25 D CA 1.007 54.984 54.000 -0.038 0.000 0.839 25 D CB -0.033 40.742 40.800 -0.042 0.000 0.948 25 D HN 0.457 nan 8.370 nan 0.000 0.460 26 M N 0.905 120.470 119.600 -0.058 0.000 3.076 26 M HA 0.121 4.601 4.480 0.000 0.000 0.296 26 M C -0.613 175.661 176.300 -0.044 0.000 1.185 26 M CA -0.187 55.072 55.300 -0.068 0.000 0.932 26 M CB 1.470 33.997 32.600 -0.121 0.000 1.288 26 M HN -0.313 nan 8.290 nan 0.000 0.536 27 T N 1.004 115.548 114.554 -0.016 0.000 2.750 27 T HA 0.133 4.483 4.350 0.000 0.000 0.286 27 T C 0.648 175.374 174.700 0.042 0.000 0.911 27 T CA 0.083 62.185 62.100 0.003 0.000 1.130 27 T CB 0.070 68.945 68.868 0.013 0.000 0.873 27 T HN 0.458 nan 8.240 nan 0.000 0.536 28 S N 2.999 118.735 115.700 0.059 0.000 2.963 28 S HA 0.007 4.477 4.470 0.000 0.000 0.360 28 S C 0.668 175.343 174.600 0.126 0.000 1.198 28 S CA 0.383 58.683 58.200 0.168 0.000 0.962 28 S CB 0.057 63.318 63.200 0.101 0.000 0.628 28 S HN 0.932 nan 8.310 nan 0.000 0.446 29 T N 0.186 114.821 114.554 0.135 0.000 2.927 29 T HA 0.559 4.909 4.350 0.000 0.000 0.350 29 T C -1.014 173.715 174.700 0.048 0.000 1.746 29 T CA 0.155 62.309 62.100 0.091 0.000 1.081 29 T CB 0.825 69.734 68.868 0.067 0.000 1.551 29 T HN 1.141 nan 8.240 nan 0.000 0.489 30 A N 1.633 124.479 122.820 0.043 0.000 2.548 30 A HA 1.002 5.322 4.320 0.000 0.000 0.282 30 A C -0.816 176.784 177.584 0.028 0.000 1.288 30 A CA -0.202 51.840 52.037 0.009 0.000 0.748 30 A CB 0.832 19.849 19.000 0.028 0.000 1.339 30 A HN 1.601 nan 8.150 nan 0.000 0.475 31 A N 0.655 123.493 122.820 0.031 0.000 2.511 31 A HA 0.627 4.947 4.320 0.000 0.000 0.340 31 A C -1.842 175.779 177.584 0.061 0.000 1.396 31 A CA -1.249 50.815 52.037 0.045 0.000 0.887 31 A CB -0.430 18.593 19.000 0.039 0.000 1.145 31 A HN 0.439 nan 8.150 nan 0.000 0.497 32 P HA 0.101 nan 4.420 nan 0.000 0.213 32 P C 0.517 177.849 177.300 0.055 0.000 1.170 32 P CA 1.753 64.895 63.100 0.070 0.000 0.893 32 P CB 0.322 32.062 31.700 0.066 0.000 0.784 33 A N -1.273 121.572 122.820 0.042 0.000 2.594 33 A HA 0.633 4.953 4.320 0.000 0.000 0.295 33 A C -1.132 176.472 177.584 0.033 0.000 1.071 33 A CA -0.598 51.459 52.037 0.033 0.000 0.685 33 A CB 0.778 19.795 19.000 0.028 0.000 1.285 33 A HN 0.063 nan 8.150 nan 0.000 0.405 34 I N -1.653 118.940 120.570 0.038 0.000 2.750 34 I HA 0.697 4.867 4.170 0.000 0.000 0.308 34 I C -0.296 175.848 176.117 0.046 0.000 1.016 34 I CA -0.847 60.482 61.300 0.048 0.000 1.098 34 I CB 1.217 39.260 38.000 0.072 0.000 1.279 34 I HN 0.482 nan 8.210 nan 0.000 0.454 35 D N 2.631 123.050 120.400 0.032 0.000 2.412 35 D HA 0.187 4.827 4.640 0.000 0.000 0.257 35 D C -0.379 175.944 176.300 0.038 0.000 1.217 35 D CA 0.566 54.580 54.000 0.022 0.000 0.897 35 D CB 0.516 41.315 40.800 -0.002 0.000 1.132 35 D HN 0.666 nan 8.370 nan 0.000 0.493 36 L N 3.972 125.220 121.223 0.040 0.000 3.186 36 L HA 0.268 4.608 4.340 0.000 0.000 0.292 36 L C 0.033 176.918 176.870 0.025 0.000 1.303 36 L CA -0.470 54.400 54.840 0.051 0.000 0.940 36 L CB -0.070 42.037 42.059 0.079 0.000 1.358 36 L HN 0.224 nan 8.230 nan 0.000 0.581 37 K N 0.502 120.907 120.400 0.008 0.000 2.350 37 K HA 0.209 4.529 4.320 0.000 0.000 0.279 37 K C -1.630 174.970 176.600 -0.001 0.000 1.027 37 K CA -1.294 54.994 56.287 0.002 0.000 0.969 37 K CB 1.274 33.771 32.500 -0.005 0.000 0.954 37 K HN 0.002 nan 8.250 nan 0.000 0.474 38 P HA -0.187 nan 4.420 nan 0.000 0.215 38 P C 0.989 178.287 177.300 -0.004 0.000 1.157 38 P CA 1.613 64.713 63.100 0.001 0.000 0.874 38 P CB 0.038 31.740 31.700 0.003 0.000 0.790 39 G N -0.499 108.298 108.800 -0.004 0.000 2.547 39 G HA2 -0.303 3.657 3.960 0.000 0.000 0.221 39 G HA3 -0.303 3.657 3.960 0.000 0.000 0.221 39 G C 1.615 176.508 174.900 -0.012 0.000 1.140 39 G CA 1.109 46.206 45.100 -0.005 0.000 0.760 39 G HN 0.225 nan 8.290 nan 0.000 0.583 40 V N 0.534 120.436 119.914 -0.019 0.000 2.871 40 V HA 0.042 4.162 4.120 0.000 0.000 0.256 40 V C 2.790 178.852 176.094 -0.054 0.000 1.082 40 V CA 0.930 63.209 62.300 -0.035 0.000 1.105 40 V CB -0.042 31.759 31.823 -0.037 0.000 0.713 40 V HN 0.358 nan 8.190 nan 0.000 0.473 41 L N 0.333 121.530 121.223 -0.043 0.000 2.187 41 L HA -0.188 4.152 4.340 0.000 0.000 0.213 41 L C 2.309 179.146 176.870 -0.055 0.000 1.100 41 L CA 1.631 56.437 54.840 -0.056 0.000 0.765 41 L CB -0.798 41.246 42.059 -0.025 0.000 0.904 41 L HN 0.470 nan 8.230 nan 0.000 0.437 42 N N 0.562 119.245 118.700 -0.029 0.000 2.004 42 N HA -0.112 4.628 4.740 0.000 0.000 0.196 42 N C -1.433 174.075 175.510 -0.004 0.000 1.064 42 N CA 0.592 53.637 53.050 -0.009 0.000 0.855 42 N CB -0.923 37.570 38.487 0.011 0.000 1.056 42 N HN 0.043 nan 8.380 nan 0.000 0.423 43 P HA -0.143 nan 4.420 nan 0.000 0.191 43 P C -0.494 176.852 177.300 0.077 0.000 0.906 43 P CA 0.954 64.080 63.100 0.043 0.000 1.011 43 P CB -0.125 31.595 31.700 0.033 0.000 1.090 44 T N 0.915 115.539 114.554 0.117 0.000 3.553 44 T HA 0.225 4.575 4.350 0.000 0.000 0.144 44 T C 0.331 175.119 174.700 0.145 0.000 0.676 44 T CA 0.482 62.651 62.100 0.114 0.000 0.824 44 T CB -0.659 68.273 68.868 0.107 0.000 0.880 44 T HN 0.228 nan 8.240 nan 0.000 0.260 45 G N 3.178 112.096 108.800 0.196 0.000 2.299 45 G HA2 0.437 4.397 3.960 0.000 0.000 0.256 45 G HA3 0.437 4.397 3.960 0.000 0.000 0.256 45 G C -0.293 174.759 174.900 0.253 0.000 1.259 45 G CA 0.140 45.384 45.100 0.240 0.000 0.943 45 G HN 0.560 nan 8.290 nan 0.000 0.479 46 K N 2.325 122.872 120.400 0.245 0.000 2.237 46 K HA 0.320 4.640 4.320 0.000 0.000 0.270 46 K C -0.150 176.528 176.600 0.131 0.000 1.015 46 K CA -0.593 55.751 56.287 0.094 0.000 0.949 46 K CB 0.966 33.403 32.500 -0.105 0.000 0.976 46 K HN 0.333 nan 8.250 nan 0.000 0.472 47 L N 5.038 126.283 121.223 0.037 0.000 2.290 47 L HA 0.414 4.754 4.340 0.000 0.000 0.284 47 L C -1.119 175.769 176.870 0.030 0.000 1.078 47 L CA -0.028 54.902 54.840 0.150 0.000 0.815 47 L CB 0.237 42.406 42.059 0.183 0.000 1.162 47 L HN 0.688 nan 8.230 nan 0.000 0.435 48 W N 4.342 125.713 121.300 0.118 0.000 3.307 48 W HA 0.732 5.393 4.660 0.000 0.000 0.325 48 W C -0.608 176.024 176.519 0.188 0.000 1.255 48 W CA -0.821 56.587 57.345 0.105 0.000 1.006 48 W CB 0.769 30.283 29.460 0.091 0.000 1.608 48 W HN 0.131 nan 8.180 nan 0.000 0.620 49 R N 0.572 121.312 120.500 0.400 0.000 2.604 49 R HA 0.256 4.596 4.340 0.000 0.000 0.270 49 R C -2.792 173.543 176.300 0.057 0.000 1.052 49 R CA -2.521 53.745 56.100 0.276 0.000 0.902 49 R CB 0.965 31.367 30.300 0.170 0.000 1.233 49 R HN 0.062 nan 8.270 nan 0.000 0.455 50 P HA 0.023 nan 4.420 nan 0.000 0.244 50 P C 0.471 177.754 177.300 -0.029 0.000 1.723 50 P CA 0.359 63.394 63.100 -0.107 0.000 1.110 50 P CB 0.110 31.761 31.700 -0.082 0.000 1.972 51 V N 1.866 121.763 119.914 -0.028 0.000 0.588 51 V HA -0.376 3.744 4.120 0.000 0.000 0.092 51 V C 1.727 177.831 176.094 0.016 0.000 1.830 51 V CA 2.580 64.878 62.300 -0.003 0.000 3.401 51 V CB -2.314 29.502 31.823 -0.012 0.000 0.689 51 V HN 0.598 nan 8.190 nan 0.000 0.712 52 G N -1.934 106.878 108.800 0.020 0.000 3.990 52 G HA2 0.218 4.178 3.960 0.000 0.000 0.213 52 G HA3 0.218 4.178 3.960 0.000 0.000 0.213 52 G C 0.170 175.087 174.900 0.029 0.000 0.849 52 G CA 0.891 46.008 45.100 0.028 0.000 0.857 52 G HN 1.468 nan 8.290 nan 0.000 0.484 53 T N 0.918 115.485 114.554 0.021 0.000 2.698 53 T HA 0.535 4.885 4.350 0.000 0.000 0.295 53 T C 1.415 176.134 174.700 0.031 0.000 1.007 53 T CA 0.728 62.840 62.100 0.021 0.000 0.980 53 T CB 0.852 69.727 68.868 0.012 0.000 1.036 53 T HN 1.066 nan 8.240 nan 0.000 0.526 54 S N -0.493 115.224 115.700 0.029 0.000 2.650 54 S HA 0.183 4.653 4.470 0.000 0.000 0.251 54 S C 0.361 174.985 174.600 0.040 0.000 1.325 54 S CA -0.944 57.277 58.200 0.035 0.000 0.967 54 S CB -0.340 62.876 63.200 0.025 0.000 1.000 54 S HN 0.682 nan 8.310 nan 0.000 0.584 55 V N 1.529 121.470 119.914 0.045 0.000 2.326 55 V HA 0.535 4.655 4.120 0.000 0.000 0.249 55 V C 0.876 176.990 176.094 0.033 0.000 1.114 55 V CA 0.659 62.991 62.300 0.054 0.000 1.028 55 V CB -0.950 30.910 31.823 0.062 0.000 1.170 55 V HN 1.053 nan 8.190 nan 0.000 0.494 56 A N 3.364 126.197 122.820 0.022 0.000 1.519 56 A HA 0.084 4.404 4.320 0.000 0.000 0.210 56 A C 1.619 179.195 177.584 -0.014 0.000 1.889 56 A CA 0.594 52.633 52.037 0.005 0.000 1.478 56 A CB -0.021 18.981 19.000 0.003 0.000 1.432 56 A HN 0.597 nan 8.150 nan 0.000 0.340 57 T N 0.663 115.203 114.554 -0.022 0.000 3.541 57 T HA 0.125 4.475 4.350 0.000 0.000 0.255 57 T C 1.426 176.065 174.700 -0.103 0.000 1.158 57 T CA 0.838 62.908 62.100 -0.051 0.000 1.000 57 T CB -1.084 67.758 68.868 -0.042 0.000 1.008 57 T HN 0.379 nan 8.240 nan 0.000 0.568 58 I N 2.932 123.436 120.570 -0.110 0.000 2.229 58 I HA -0.340 3.830 4.170 0.000 0.000 0.250 58 I C 2.691 178.679 176.117 -0.216 0.000 1.096 58 I CA 1.993 63.182 61.300 -0.185 0.000 1.358 58 I CB -0.716 37.238 38.000 -0.078 0.000 1.047 58 I HN 0.467 nan 8.210 nan 0.000 0.422 59 D N 0.305 120.623 120.400 -0.136 0.000 2.280 59 D HA -0.151 4.489 4.640 0.000 0.000 0.206 59 D C 0.655 176.869 176.300 -0.144 0.000 0.988 59 D CA 1.037 54.962 54.000 -0.125 0.000 0.886 59 D CB -0.122 40.630 40.800 -0.081 0.000 0.914 59 D HN 0.360 nan 8.370 nan 0.000 0.473 60 S N -0.260 115.345 115.700 -0.158 0.000 2.561 60 S HA 0.572 5.042 4.470 0.000 0.000 0.303 60 S C -0.374 174.118 174.600 -0.179 0.000 1.110 60 S CA -0.849 57.269 58.200 -0.136 0.000 1.034 60 S CB 1.907 65.061 63.200 -0.076 0.000 1.010 60 S HN 0.166 nan 8.310 nan 0.000 0.482 61 L N 2.161 123.284 121.223 -0.167 0.000 2.386 61 L HA 0.872 5.212 4.340 0.000 0.000 0.271 61 L C -0.191 176.820 176.870 0.235 0.000 0.993 61 L CA -1.036 53.768 54.840 -0.060 0.000 0.819 61 L CB 1.802 43.703 42.059 -0.264 0.000 1.294 61 L HN 0.665 nan 8.230 nan 0.000 0.414 62 A N 3.001 125.974 122.820 0.254 0.000 2.304 62 A HA 0.759 5.079 4.320 0.000 0.000 0.323 62 A C -0.221 177.478 177.584 0.191 0.000 1.195 62 A CA -0.632 51.537 52.037 0.220 0.000 0.826 62 A CB 0.581 19.623 19.000 0.070 0.000 1.184 62 A HN 0.713 nan 8.150 nan 0.000 0.496 63 I N 1.964 122.482 120.570 -0.086 0.000 2.710 63 I HA 0.343 4.513 4.170 0.000 0.000 0.286 63 I C 0.866 176.828 176.117 -0.259 0.000 1.181 63 I CA -0.606 60.471 61.300 -0.372 0.000 1.430 63 I CB -0.246 37.323 38.000 -0.719 0.000 1.367 63 I HN 0.597 nan 8.210 nan 0.000 0.577 64 V N 2.454 122.219 119.914 -0.249 0.000 3.803 64 V HA 0.012 4.132 4.120 0.000 0.000 0.300 64 V C 0.922 176.755 176.094 -0.435 0.000 1.111 64 V CA -0.015 62.125 62.300 -0.267 0.000 1.189 64 V CB 0.617 32.328 31.823 -0.187 0.000 1.118 64 V HN 1.002 nan 8.190 nan 0.000 0.486 65 S N 1.230 116.637 115.700 -0.488 0.000 3.517 65 S HA 0.117 4.587 4.470 0.000 0.000 0.284 65 S C 0.951 175.037 174.600 -0.856 0.000 1.260 65 S CA 0.014 57.836 58.200 -0.630 0.000 0.975 65 S CB -1.137 61.706 63.200 -0.595 0.000 1.540 65 S HN 1.040 nan 8.310 nan 0.000 0.506 66 D N 4.454 124.333 120.400 -0.869 0.000 2.218 66 D HA -0.200 4.440 4.640 0.000 0.000 0.204 66 D C 1.702 177.602 176.300 -0.666 0.000 0.976 66 D CA 0.739 54.069 54.000 -1.116 0.000 0.853 66 D CB -0.279 40.046 40.800 -0.792 0.000 0.939 66 D HN 0.525 nan 8.370 nan 0.000 0.481 67 R N -0.295 119.838 120.500 -0.612 0.000 2.224 67 R HA -0.236 4.104 4.340 0.000 0.000 0.255 67 R C 1.055 177.115 176.300 -0.399 0.000 1.130 67 R CA 2.633 58.397 56.100 -0.560 0.000 0.957 67 R CB -0.468 29.373 30.300 -0.764 0.000 0.907 67 R HN 0.520 nan 8.270 nan 0.000 0.446 68 F N -4.986 114.927 119.950 -0.062 0.000 3.083 68 F HA 0.550 5.077 4.527 0.000 0.000 0.355 68 F C 0.155 176.006 175.800 0.085 0.000 1.194 68 F CA -0.143 57.874 58.000 0.029 0.000 1.027 68 F CB 0.186 39.196 39.000 0.018 0.000 1.386 68 F HN 0.085 nan 8.300 nan 0.000 0.513 69 G N -0.030 108.717 108.800 -0.087 0.000 2.619 69 G HA2 0.332 4.292 3.960 0.000 0.000 0.146 69 G HA3 0.332 4.292 3.960 0.000 0.000 0.146 69 G C -1.384 173.018 174.900 -0.829 0.000 1.192 69 G CA -0.721 44.342 45.100 -0.061 0.000 1.063 69 G HN -0.032 nan 8.290 nan 0.000 0.538 70 Q N 0.717 119.496 119.800 -1.701 0.000 3.970 70 Q HA -0.031 4.309 4.340 0.000 0.000 0.367 70 Q C -0.819 174.621 176.000 -0.933 0.000 1.189 70 Q CA 0.983 55.721 55.803 -1.776 0.000 1.212 70 Q CB -0.986 27.261 28.738 -0.818 0.000 1.037 70 Q HN 0.452 nan 8.270 nan 0.000 0.474 71 Y N -0.793 119.105 120.300 -0.670 0.000 2.780 71 Y HA 0.416 4.966 4.550 0.000 0.000 0.340 71 Y C 1.277 177.183 175.900 0.010 0.000 1.216 71 Y CA -1.185 56.823 58.100 -0.154 0.000 1.245 71 Y CB 0.620 39.094 38.460 0.023 0.000 1.492 71 Y HN 0.247 nan 8.280 nan 0.000 0.660 72 S N 0.643 116.484 115.700 0.236 0.000 2.560 72 S HA -0.066 4.404 4.470 0.000 0.000 0.276 72 S C -0.611 174.047 174.600 0.095 0.000 1.350 72 S CA -0.427 57.860 58.200 0.145 0.000 1.024 72 S CB -0.219 63.045 63.200 0.107 0.000 0.864 72 S HN 0.360 nan 8.310 nan 0.000 0.536 73 F N 3.071 123.104 119.950 0.139 0.000 2.569 73 F HA 0.048 4.575 4.527 0.000 0.000 0.395 73 F C 0.311 176.153 175.800 0.071 0.000 1.028 73 F CA -0.050 58.014 58.000 0.106 0.000 1.158 73 F CB -0.178 38.874 39.000 0.086 0.000 1.023 73 F HN 0.220 nan 8.300 nan 0.000 0.547 74 V N 5.817 125.036 119.914 -1.158 0.000 2.763 74 V HA -0.132 3.988 4.120 0.000 0.000 0.306 74 V C 0.696 176.587 176.094 -0.339 0.000 1.059 74 V CA -0.543 61.406 62.300 -0.586 0.000 1.138 74 V CB 0.324 31.862 31.823 -0.476 0.000 0.940 74 V HN 0.677 nan 8.190 nan 0.000 0.489 75 N N 3.360 121.948 118.700 -0.186 0.000 2.399 75 N HA -0.049 4.691 4.740 0.000 0.000 0.284 75 N C 1.248 176.690 175.510 -0.113 0.000 1.283 75 N CA 0.491 53.473 53.050 -0.113 0.000 0.972 75 N CB 0.032 38.431 38.487 -0.146 0.000 1.328 75 N HN 0.836 nan 8.380 nan 0.000 0.486 76 E N 2.549 122.741 120.200 -0.014 0.000 2.217 76 E HA -0.290 4.060 4.350 0.000 0.000 0.219 76 E C 1.364 177.923 176.600 -0.068 0.000 1.070 76 E CA 1.977 58.376 56.400 -0.002 0.000 0.889 76 E CB -0.119 29.616 29.700 0.059 0.000 0.768 76 E HN 0.783 nan 8.360 nan 0.000 0.465 77 G N 0.479 109.223 108.800 -0.094 0.000 2.394 77 G HA2 -0.243 3.717 3.960 0.000 0.000 0.215 77 G HA3 -0.243 3.717 3.960 0.000 0.000 0.215 77 G C 1.489 176.245 174.900 -0.239 0.000 1.165 77 G CA 0.703 45.724 45.100 -0.131 0.000 0.784 77 G HN 0.267 nan 8.290 nan 0.000 0.535 78 M N 1.163 120.568 119.600 -0.324 0.000 2.132 78 M HA -0.070 4.410 4.480 0.000 0.000 0.263 78 M C 2.866 178.813 176.300 -0.588 0.000 1.065 78 M CA 1.727 56.655 55.300 -0.620 0.000 1.122 78 M CB -0.147 32.096 32.600 -0.594 0.000 1.365 78 M HN 0.353 nan 8.290 nan 0.000 0.411 79 R N 0.070 120.382 120.500 -0.312 0.000 2.094 79 R HA -0.196 4.144 4.340 0.000 0.000 0.239 79 R C 1.737 177.945 176.300 -0.152 0.000 1.137 79 R CA 2.076 58.062 56.100 -0.190 0.000 0.943 79 R CB -1.218 29.006 30.300 -0.127 0.000 0.850 79 R HN 0.500 nan 8.270 nan 0.000 0.433 80 E N 0.688 120.800 120.200 -0.146 0.000 2.051 80 E HA -0.180 4.170 4.350 0.000 0.000 0.192 80 E C 2.298 178.812 176.600 -0.143 0.000 0.991 80 E CA 2.094 58.423 56.400 -0.119 0.000 0.799 80 E CB -0.245 29.405 29.700 -0.083 0.000 0.748 80 E HN 0.673 nan 8.360 nan 0.000 0.449 81 T N 0.169 114.625 114.554 -0.163 0.000 2.607 81 T HA -0.200 4.150 4.350 0.000 0.000 0.267 81 T C 1.830 176.555 174.700 0.041 0.000 1.049 81 T CA 1.244 63.280 62.100 -0.107 0.000 1.162 81 T CB -0.635 68.139 68.868 -0.156 0.000 0.863 81 T HN -0.028 nan 8.240 nan 0.000 0.424 82 F N 1.972 121.812 119.950 -0.183 0.000 2.120 82 F HA -0.016 4.511 4.527 0.000 0.000 0.300 82 F C 3.214 178.839 175.800 -0.292 0.000 1.095 82 F CA 0.498 58.370 58.000 -0.214 0.000 1.249 82 F CB -1.655 37.226 39.000 -0.197 0.000 0.995 82 F HN 0.323 nan 8.300 nan 0.000 0.480 83 S N -0.127 115.472 115.700 -0.168 0.000 2.370 83 S HA -0.171 4.299 4.470 0.000 0.000 0.226 83 S C 2.215 176.231 174.600 -0.973 0.000 1.033 83 S CA 1.147 59.077 58.200 -0.450 0.000 1.011 83 S CB -0.116 62.867 63.200 -0.361 0.000 0.852 83 S HN 0.158 nan 8.310 nan 0.000 0.457 84 K N 1.683 121.640 120.400 -0.739 0.000 2.063 84 K HA 0.030 4.350 4.320 0.000 0.000 0.208 84 K C 2.377 178.788 176.600 -0.315 0.000 1.048 84 K CA 1.325 57.228 56.287 -0.639 0.000 0.928 84 K CB -1.303 31.066 32.500 -0.217 0.000 0.713 84 K HN 0.460 nan 8.250 nan 0.000 0.442 85 A N 1.696 124.400 122.820 -0.192 0.000 1.883 85 A HA -0.176 4.144 4.320 0.000 0.000 0.217 85 A C 2.249 179.776 177.584 -0.095 0.000 1.186 85 A CA 1.544 53.521 52.037 -0.100 0.000 0.624 85 A CB -0.706 18.233 19.000 -0.102 0.000 0.822 85 A HN 0.233 nan 8.150 nan 0.000 0.444 86 L N -0.683 120.443 121.223 -0.160 0.000 2.127 86 L HA -0.122 4.218 4.340 0.000 0.000 0.211 86 L C 2.192 179.130 176.870 0.115 0.000 1.089 86 L CA 1.707 56.508 54.840 -0.065 0.000 0.757 86 L CB -0.702 41.301 42.059 -0.093 0.000 0.899 86 L HN 0.500 nan 8.230 nan 0.000 0.434 87 F N -0.543 119.385 119.950 -0.037 0.000 2.186 87 F HA -0.226 4.301 4.527 0.000 0.000 0.299 87 F C 2.074 177.849 175.800 -0.041 0.000 1.090 87 F CA 0.468 58.443 58.000 -0.042 0.000 1.307 87 F CB -0.535 38.439 39.000 -0.042 0.000 1.019 87 F HN 0.162 nan 8.300 nan 0.000 0.489 88 D N 1.191 121.685 120.400 0.157 0.000 2.154 88 D HA -0.241 4.399 4.640 0.000 0.000 0.190 88 D C 2.149 178.590 176.300 0.235 0.000 1.003 88 D CA 1.644 55.711 54.000 0.112 0.000 0.849 88 D CB -0.251 40.630 40.800 0.135 0.000 0.942 88 D HN 0.098 nan 8.370 nan 0.000 0.446 89 I N 0.713 121.402 120.570 0.199 0.000 2.286 89 I HA -0.200 3.970 4.170 0.000 0.000 0.248 89 I C 1.633 177.801 176.117 0.085 0.000 1.115 89 I CA 1.218 62.585 61.300 0.113 0.000 1.392 89 I CB -1.327 36.557 38.000 -0.193 0.000 1.065 89 I HN 0.155 nan 8.210 nan 0.000 0.418 90 N N 1.124 119.862 118.700 0.063 0.000 2.205 90 N HA -0.188 4.552 4.740 0.000 0.000 0.186 90 N C 1.823 177.364 175.510 0.052 0.000 1.015 90 N CA 1.111 54.184 53.050 0.039 0.000 0.862 90 N CB -0.247 38.259 38.487 0.031 0.000 0.986 90 N HN 0.388 nan 8.380 nan 0.000 0.429 91 M N -0.726 118.899 119.600 0.041 0.000 2.267 91 M HA -0.126 4.354 4.480 0.000 0.000 0.263 91 M C 0.775 177.122 176.300 0.079 0.000 1.063 91 M CA 1.250 56.505 55.300 -0.076 0.000 1.090 91 M CB -0.069 32.338 32.600 -0.322 0.000 1.392 91 M HN 0.282 nan 8.290 nan 0.000 0.422 92 W N 0.511 121.911 121.300 0.166 0.000 2.966 92 W HA 0.224 4.884 4.660 0.000 0.000 0.406 92 W C 1.528 178.237 176.519 0.317 0.000 1.027 92 W CA -0.352 57.176 57.345 0.305 0.000 1.930 92 W CB -0.420 29.373 29.460 0.555 0.000 1.144 92 W HN 0.415 nan 8.180 nan 0.000 0.626 93 Q N 1.585 121.587 119.800 0.338 0.000 2.096 93 Q HA -0.217 4.123 4.340 0.000 0.000 0.208 93 Q C -0.128 176.002 176.000 0.216 0.000 0.993 93 Q CA 2.442 58.377 55.803 0.219 0.000 0.862 93 Q CB -0.860 27.934 28.738 0.093 0.000 0.915 93 Q HN 0.022 nan 8.270 nan 0.000 0.416 94 P HA -0.181 nan 4.420 nan 0.000 0.218 94 P C 1.253 178.587 177.300 0.058 0.000 1.148 94 P CA 1.012 64.173 63.100 0.102 0.000 0.822 94 P CB 0.006 31.751 31.700 0.076 0.000 0.784 95 L N -1.401 119.879 121.223 0.094 0.000 2.068 95 L HA 0.072 4.412 4.340 0.000 0.000 0.204 95 L C 2.530 179.321 176.870 -0.131 0.000 1.076 95 L CA 1.419 56.180 54.840 -0.131 0.000 0.753 95 L CB -1.545 40.348 42.059 -0.277 0.000 0.910 95 L HN -0.263 nan 8.230 nan 0.000 0.439 96 F N 0.329 120.318 119.950 0.065 0.000 2.063 96 F HA -0.346 4.181 4.527 0.000 0.000 0.298 96 F C 2.740 178.564 175.800 0.040 0.000 1.109 96 F CA 2.239 60.332 58.000 0.155 0.000 1.212 96 F CB -0.554 38.564 39.000 0.198 0.000 0.973 96 F HN 0.208 nan 8.300 nan 0.000 0.480 97 Q N -0.653 119.280 119.800 0.222 0.000 2.096 97 Q HA -0.231 4.109 4.340 0.000 0.000 0.204 97 Q C 2.409 178.424 176.000 0.024 0.000 0.982 97 Q CA 1.641 57.509 55.803 0.107 0.000 0.850 97 Q CB -0.415 28.372 28.738 0.083 0.000 0.901 97 Q HN 0.468 nan 8.270 nan 0.000 0.422 98 A N 0.277 123.077 122.820 -0.034 0.000 1.969 98 A HA -0.144 4.176 4.320 0.000 0.000 0.218 98 A C 2.121 179.619 177.584 -0.143 0.000 1.169 98 A CA 1.696 53.673 52.037 -0.101 0.000 0.635 98 A CB -0.748 18.152 19.000 -0.167 0.000 0.810 98 A HN 0.538 nan 8.150 nan 0.000 0.445 99 T N -3.229 111.216 114.554 -0.182 0.000 3.163 99 T HA 0.092 4.442 4.350 0.000 0.000 0.260 99 T C 0.702 175.364 174.700 -0.064 0.000 1.156 99 T CA 0.798 62.794 62.100 -0.174 0.000 1.072 99 T CB -0.378 68.357 68.868 -0.221 0.000 0.937 99 T HN 0.419 nan 8.240 nan 0.000 0.528 100 K N 1.339 121.729 120.400 -0.018 0.000 2.975 100 K HA -0.144 4.176 4.320 0.000 0.000 0.257 100 K C 0.458 177.084 176.600 0.043 0.000 1.005 100 K CA 1.208 57.506 56.287 0.018 0.000 0.738 100 K CB -2.430 30.072 32.500 0.003 0.000 1.236 100 K HN 0.773 nan 8.250 nan 0.000 0.483 101 T N -2.775 111.826 114.554 0.079 0.000 3.285 101 T HA 0.439 4.789 4.350 0.000 0.000 0.232 101 T C 1.117 175.927 174.700 0.183 0.000 0.973 101 T CA -0.186 61.974 62.100 0.100 0.000 1.023 101 T CB 0.575 69.461 68.868 0.030 0.000 1.158 101 T HN 0.624 nan 8.240 nan 0.000 0.590 102 G N 0.302 109.179 108.800 0.129 0.000 2.258 102 G HA2 -0.369 3.591 3.960 0.000 0.000 0.274 102 G HA3 -0.369 3.591 3.960 0.000 0.000 0.274 102 G C 1.337 176.316 174.900 0.132 0.000 1.021 102 G CA 0.087 45.255 45.100 0.113 0.000 0.798 102 G HN 0.812 nan 8.290 nan 0.000 0.507 103 C N 0.256 119.666 119.300 0.183 0.000 2.396 103 C HA 0.116 4.576 4.460 0.000 0.000 0.279 103 C C 2.606 177.613 174.990 0.029 0.000 1.229 103 C CA 1.381 60.491 59.018 0.154 0.000 1.801 103 C CB -1.262 26.596 27.740 0.197 0.000 2.050 103 C HN 1.773 nan 8.230 nan 0.000 0.491 104 G N 3.383 112.209 108.800 0.043 0.000 2.249 104 G HA2 0.149 4.109 3.960 0.000 0.000 0.281 104 G HA3 0.149 4.109 3.960 0.000 0.000 0.281 104 G C -1.633 173.275 174.900 0.013 0.000 0.862 104 G CA -0.169 44.947 45.100 0.028 0.000 1.237 104 G HN 0.722 nan 8.290 nan 0.000 0.340 105 P HA -0.074 nan 4.420 nan 0.000 0.250 105 P C 1.435 178.754 177.300 0.032 0.000 1.161 105 P CA -0.078 63.025 63.100 0.005 0.000 0.863 105 P CB 0.461 32.169 31.700 0.014 0.000 0.827 106 I N 3.959 124.547 120.570 0.030 0.000 2.161 106 I HA -0.368 3.802 4.170 0.000 0.000 0.246 106 I C 1.213 177.400 176.117 0.117 0.000 1.048 106 I CA 2.048 63.392 61.300 0.073 0.000 1.314 106 I CB -0.771 37.251 38.000 0.036 0.000 1.014 106 I HN 0.432 nan 8.210 nan 0.000 0.418 107 V N -1.435 118.528 119.914 0.080 0.000 5.998 107 V HA -0.247 3.873 4.120 0.000 0.000 0.253 107 V C 0.884 177.047 176.094 0.115 0.000 0.630 107 V CA 0.560 62.915 62.300 0.091 0.000 0.750 107 V CB -2.150 29.723 31.823 0.083 0.000 0.744 107 V HN 0.358 nan 8.190 nan 0.000 0.481 108 L N 3.565 124.801 121.223 0.023 0.000 2.103 108 L HA -0.209 4.131 4.340 0.000 0.000 0.215 108 L C 2.804 179.688 176.870 0.024 0.000 1.080 108 L CA 3.128 57.924 54.840 -0.072 0.000 0.764 108 L CB -0.393 41.600 42.059 -0.110 0.000 0.890 108 L HN 1.245 nan 8.230 nan 0.000 0.435 109 S N -2.424 113.301 115.700 0.041 0.000 2.407 109 S HA -0.258 4.212 4.470 0.000 0.000 0.235 109 S C 1.973 176.612 174.600 0.066 0.000 1.036 109 S CA 1.585 59.810 58.200 0.042 0.000 1.013 109 S CB -0.919 62.306 63.200 0.042 0.000 0.820 109 S HN 0.535 nan 8.310 nan 0.000 0.476 110 S N 1.397 117.173 115.700 0.127 0.000 2.402 110 S HA 0.100 4.570 4.470 0.000 0.000 0.229 110 S C 1.337 176.003 174.600 0.110 0.000 1.021 110 S CA 1.125 59.387 58.200 0.105 0.000 0.974 110 S CB -0.522 62.735 63.200 0.096 0.000 0.800 110 S HN 0.583 nan 8.310 nan 0.000 0.484 111 F N 2.244 122.145 119.950 -0.082 0.000 2.206 111 F HA 0.015 4.542 4.527 0.000 0.000 0.298 111 F C 1.968 177.622 175.800 -0.243 0.000 1.090 111 F CA 0.624 58.551 58.000 -0.121 0.000 1.323 111 F CB -1.495 37.451 39.000 -0.089 0.000 1.028 111 F HN 0.079 nan 8.300 nan 0.000 0.492 112 T N 0.357 114.890 114.554 -0.034 0.000 3.738 112 T HA 0.165 4.515 4.350 0.000 0.000 0.231 112 T C 0.215 174.763 174.700 -0.254 0.000 0.967 112 T CA -0.350 61.632 62.100 -0.196 0.000 1.227 112 T CB -1.326 67.466 68.868 -0.127 0.000 1.136 112 T HN 0.137 nan 8.240 nan 0.000 0.807 113 T N 0.666 114.901 114.554 -0.532 0.000 2.928 113 T HA 0.531 4.880 4.350 0.000 0.000 0.284 113 T C 0.589 175.163 174.700 -0.210 0.000 1.008 113 T CA -1.000 60.850 62.100 -0.416 0.000 1.057 113 T CB 1.170 69.796 68.868 -0.403 0.000 1.018 113 T HN 0.648 nan 8.240 nan 0.000 0.493 114 T N -0.179 114.427 114.554 0.087 0.000 2.902 114 T HA 0.311 4.661 4.350 0.000 0.000 0.301 114 T C 0.083 175.018 174.700 0.391 0.000 1.012 114 T CA -0.490 61.728 62.100 0.196 0.000 1.151 114 T CB 0.284 69.242 68.868 0.150 0.000 0.946 114 T HN 0.720 nan 8.240 nan 0.000 0.542 115 T N 2.291 117.072 114.554 0.378 0.000 2.807 115 T HA 0.547 4.897 4.350 0.000 0.000 0.279 115 T C -0.856 173.977 174.700 0.221 0.000 0.993 115 T CA -0.615 61.681 62.100 0.327 0.000 0.970 115 T CB 1.175 70.271 68.868 0.381 0.000 0.950 115 T HN 0.770 nan 8.240 nan 0.000 0.441 116 S N 2.944 118.733 115.700 0.149 0.000 2.779 116 S HA 0.788 5.258 4.470 0.000 0.000 0.293 116 S C 0.077 174.722 174.600 0.075 0.000 1.150 116 S CA 0.359 58.619 58.200 0.100 0.000 1.057 116 S CB 0.384 63.630 63.200 0.077 0.000 1.021 116 S HN 1.277 nan 8.310 nan 0.000 0.485 117 G N 3.513 112.336 108.800 0.039 0.000 2.534 117 G HA2 0.159 4.119 3.960 0.000 0.000 0.142 117 G HA3 0.159 4.119 3.960 0.000 0.000 0.142 117 G C -1.966 172.854 174.900 -0.132 0.000 1.178 117 G CA -0.616 44.474 45.100 -0.016 0.000 1.037 117 G HN 0.512 nan 8.290 nan 0.000 0.474 118 Y N 0.334 120.724 120.300 0.151 0.000 2.308 118 Y HA 0.536 5.086 4.550 0.000 0.000 0.329 118 Y C 0.519 176.571 175.900 0.252 0.000 1.111 118 Y CA -0.394 57.793 58.100 0.145 0.000 1.179 118 Y CB 1.967 40.473 38.460 0.078 0.000 1.201 118 Y HN 0.261 nan 8.280 nan 0.000 0.483 119 V N 3.059 123.128 119.914 0.259 0.000 2.313 119 V HA 0.857 4.977 4.120 0.000 0.000 0.278 119 V C 0.209 176.438 176.094 0.226 0.000 1.017 119 V CA -0.491 61.971 62.300 0.271 0.000 0.823 119 V CB 0.661 32.595 31.823 0.185 0.000 1.010 119 V HN 0.936 nan 8.190 nan 0.000 0.443 120 G N 2.343 111.348 108.800 0.342 0.000 2.616 120 G HA2 0.574 4.534 3.960 0.000 0.000 0.294 120 G HA3 0.574 4.534 3.960 0.000 0.000 0.294 120 G C 0.350 175.481 174.900 0.386 0.000 1.489 120 G CA 0.123 45.364 45.100 0.234 0.000 0.836 120 G HN 0.755 nan 8.290 nan 0.000 0.527 121 A N 0.175 123.134 122.820 0.231 0.000 1.884 121 A HA 0.223 4.543 4.320 0.000 0.000 0.219 121 A C 1.781 179.534 177.584 0.281 0.000 1.197 121 A CA 2.726 54.899 52.037 0.226 0.000 0.637 121 A CB -0.997 18.083 19.000 0.133 0.000 0.827 121 A HN 2.006 nan 8.150 nan 0.000 0.450 122 T N -5.216 109.435 114.554 0.161 0.000 2.918 122 T HA 0.678 5.028 4.350 0.000 0.000 0.286 122 T C 1.006 175.579 174.700 -0.213 0.000 1.026 122 T CA -0.040 62.125 62.100 0.108 0.000 1.031 122 T CB 1.694 70.588 68.868 0.043 0.000 1.046 122 T HN 0.803 nan 8.240 nan 0.000 0.479 123 A N 2.495 125.081 122.820 -0.390 0.000 1.896 123 A HA 0.020 4.340 4.320 0.000 0.000 0.220 123 A C 2.434 179.725 177.584 -0.488 0.000 1.206 123 A CA 2.727 54.280 52.037 -0.806 0.000 0.647 123 A CB -1.976 16.793 19.000 -0.386 0.000 0.828 123 A HN 1.473 nan 8.150 nan 0.000 0.455 124 G N 0.897 109.548 108.800 -0.249 0.000 2.900 124 G HA2 -0.515 3.445 3.960 0.000 0.000 0.250 124 G HA3 -0.515 3.445 3.960 0.000 0.000 0.250 124 G C 1.051 175.852 174.900 -0.165 0.000 1.141 124 G CA 2.355 47.356 45.100 -0.165 0.000 0.756 124 G HN 0.810 nan 8.290 nan 0.000 0.767 125 D N 0.873 121.194 120.400 -0.131 0.000 2.149 125 D HA 0.156 4.796 4.640 0.000 0.000 0.198 125 D C 2.420 178.649 176.300 -0.119 0.000 0.990 125 D CA 1.957 55.901 54.000 -0.094 0.000 0.839 125 D CB -0.702 40.078 40.800 -0.034 0.000 0.948 125 D HN 0.503 nan 8.370 nan 0.000 0.460 126 A N 0.442 123.113 122.820 -0.248 0.000 2.015 126 A HA -0.017 4.303 4.320 0.000 0.000 0.219 126 A C 2.332 179.785 177.584 -0.218 0.000 1.163 126 A CA 1.015 52.873 52.037 -0.298 0.000 0.646 126 A CB -0.904 17.573 19.000 -0.873 0.000 0.806 126 A HN 0.334 nan 8.150 nan 0.000 0.448 127 L N -0.412 120.621 121.223 -0.317 0.000 2.081 127 L HA -0.265 4.075 4.340 0.000 0.000 0.212 127 L C 1.855 178.698 176.870 -0.046 0.000 1.080 127 L CA 1.841 56.525 54.840 -0.260 0.000 0.754 127 L CB -0.810 41.106 42.059 -0.239 0.000 0.893 127 L HN 0.290 nan 8.230 nan 0.000 0.433 128 D N -0.845 119.546 120.400 -0.016 0.000 2.224 128 D HA -0.082 4.558 4.640 0.000 0.000 0.205 128 D C 0.723 177.065 176.300 0.071 0.000 0.965 128 D CA 0.763 54.782 54.000 0.030 0.000 0.852 128 D CB -0.123 40.673 40.800 -0.007 0.000 0.947 128 D HN 0.218 nan 8.370 nan 0.000 0.494 129 N N 0.377 119.139 118.700 0.103 0.000 2.483 129 N HA 0.273 5.013 4.740 0.000 0.000 0.267 129 N C -2.868 172.655 175.510 0.022 0.000 0.998 129 N CA -1.813 51.270 53.050 0.056 0.000 0.918 129 N CB 1.813 40.321 38.487 0.035 0.000 1.215 129 N HN -0.214 nan 8.380 nan 0.000 0.500 130 P HA 0.287 nan 4.420 nan 0.000 0.307 130 P C -1.275 175.882 177.300 -0.240 0.000 1.412 130 P CA -0.657 62.171 63.100 -0.454 0.000 0.985 130 P CB 2.109 33.292 31.700 -0.863 0.000 1.098 131 V N 3.198 123.006 119.914 -0.177 0.000 2.305 131 V HA 0.225 4.345 4.120 0.000 0.000 0.275 131 V C 0.617 176.669 176.094 -0.070 0.000 1.020 131 V CA -0.358 61.875 62.300 -0.112 0.000 0.811 131 V CB 1.046 32.802 31.823 -0.111 0.000 1.031 131 V HN 0.647 nan 8.190 nan 0.000 0.439 132 T N 1.400 115.909 114.554 -0.075 0.000 2.851 132 T HA 0.258 4.608 4.350 0.000 0.000 0.298 132 T C 0.533 175.239 174.700 0.009 0.000 0.977 132 T CA -0.147 61.935 62.100 -0.030 0.000 1.126 132 T CB 0.063 68.908 68.868 -0.040 0.000 0.916 132 T HN 0.742 nan 8.240 nan 0.000 0.529 133 N N 1.556 120.287 118.700 0.052 0.000 2.669 133 N HA -0.143 4.597 4.740 0.000 0.000 0.266 133 N C 0.601 176.183 175.510 0.120 0.000 1.024 133 N CA 0.761 53.863 53.050 0.088 0.000 0.766 133 N CB -1.009 37.518 38.487 0.066 0.000 0.898 133 N HN 1.008 nan 8.380 nan 0.000 0.548 134 G N -0.361 108.560 108.800 0.201 0.000 2.882 134 G HA2 0.710 4.670 3.960 0.000 0.000 0.164 134 G HA3 0.710 4.670 3.960 0.000 0.000 0.164 134 G C -0.218 174.897 174.900 0.359 0.000 1.429 134 G CA 0.138 45.466 45.100 0.379 0.000 1.059 134 G HN 0.826 nan 8.290 nan 0.000 0.581 135 V N -2.221 117.941 119.914 0.414 0.000 2.932 135 V HA 0.782 4.902 4.120 0.000 0.000 0.307 135 V C -0.880 175.094 176.094 -0.199 0.000 1.147 135 V CA -1.149 61.166 62.300 0.025 0.000 0.951 135 V CB 1.146 32.908 31.823 -0.101 0.000 1.031 135 V HN 1.019 nan 8.190 nan 0.000 0.426 136 F N 3.111 123.004 119.950 -0.095 0.000 2.594 136 F HA 0.943 5.470 4.527 0.000 0.000 0.335 136 F C -0.872 174.918 175.800 -0.017 0.000 1.058 136 F CA -1.541 56.421 58.000 -0.063 0.000 0.981 136 F CB 1.839 40.874 39.000 0.058 0.000 1.289 136 F HN 0.694 nan 8.300 nan 0.000 0.490 137 I N 1.482 122.061 120.570 0.016 0.000 2.686 137 I HA 0.434 4.604 4.170 0.000 0.000 0.295 137 I C -0.948 175.313 176.117 0.240 0.000 1.114 137 I CA -0.567 60.730 61.300 -0.004 0.000 1.038 137 I CB 2.138 40.086 38.000 -0.087 0.000 1.238 137 I HN 0.881 nan 8.210 nan 0.000 0.420 138 S N 3.286 119.166 115.700 0.301 0.000 2.554 138 S HA 0.222 4.692 4.470 0.000 0.000 0.278 138 S C 1.345 175.826 174.600 -0.198 0.000 1.242 138 S CA 0.200 58.460 58.200 0.099 0.000 1.051 138 S CB 1.293 64.805 63.200 0.519 0.000 0.986 138 S HN 0.848 nan 8.310 nan 0.000 0.502 139 T N 3.104 117.334 114.554 -0.540 0.000 2.620 139 T HA -0.210 4.140 4.350 0.000 0.000 0.267 139 T C 1.789 176.471 174.700 -0.030 0.000 1.044 139 T CA 2.218 64.171 62.100 -0.245 0.000 1.161 139 T CB -1.332 67.472 68.868 -0.106 0.000 0.862 139 T HN 0.511 nan 8.240 nan 0.000 0.438 140 V N 2.284 122.237 119.914 0.065 0.000 2.231 140 V HA -0.298 3.822 4.120 0.000 0.000 0.248 140 V C 3.025 179.188 176.094 0.115 0.000 1.054 140 V CA 2.426 64.787 62.300 0.101 0.000 1.015 140 V CB -1.190 30.721 31.823 0.147 0.000 0.638 140 V HN 0.552 nan 8.190 nan 0.000 0.444 141 Q N -0.068 119.828 119.800 0.160 0.000 2.030 141 Q HA -0.208 4.132 4.340 0.000 0.000 0.204 141 Q C 2.295 178.478 176.000 0.305 0.000 0.986 141 Q CA 2.388 58.352 55.803 0.268 0.000 0.843 141 Q CB -0.488 28.441 28.738 0.318 0.000 0.904 141 Q HN 0.865 nan 8.270 nan 0.000 0.420 142 I N -1.937 118.706 120.570 0.122 0.000 2.264 142 I HA -0.287 3.883 4.170 0.000 0.000 0.248 142 I C 2.461 178.577 176.117 -0.001 0.000 1.111 142 I CA 1.002 62.306 61.300 0.006 0.000 1.382 142 I CB -0.553 37.420 38.000 -0.045 0.000 1.060 142 I HN 0.199 nan 8.210 nan 0.000 0.418 143 M N 2.417 122.031 119.600 0.023 0.000 2.110 143 M HA -0.290 4.190 4.480 0.000 0.000 0.257 143 M C 1.995 178.314 176.300 0.033 0.000 1.071 143 M CA 2.423 57.734 55.300 0.019 0.000 1.096 143 M CB -1.334 31.285 32.600 0.032 0.000 1.300 143 M HN 0.422 nan 8.290 nan 0.000 0.411 144 N N -0.158 118.596 118.700 0.090 0.000 2.188 144 N HA -0.140 4.600 4.740 0.000 0.000 0.184 144 N C 1.564 177.158 175.510 0.140 0.000 1.018 144 N CA 1.075 54.194 53.050 0.115 0.000 0.858 144 N CB -0.212 38.360 38.487 0.143 0.000 0.989 144 N HN 0.210 nan 8.380 nan 0.000 0.426 145 L N 1.563 122.884 121.223 0.163 0.000 1.971 145 L HA -0.263 4.077 4.340 0.000 0.000 0.215 145 L C 1.987 178.764 176.870 -0.155 0.000 1.072 145 L CA 1.812 56.598 54.840 -0.091 0.000 0.758 145 L CB -0.762 40.997 42.059 -0.500 0.000 0.889 145 L HN 0.218 nan 8.230 nan 0.000 0.433 146 Q N -0.736 118.968 119.800 -0.160 0.000 2.096 146 Q HA -0.310 4.030 4.340 0.000 0.000 0.208 146 Q C 2.342 178.276 176.000 -0.109 0.000 0.993 146 Q CA 2.177 57.879 55.803 -0.169 0.000 0.862 146 Q CB -0.544 28.102 28.738 -0.153 0.000 0.915 146 Q HN 0.523 nan 8.270 nan 0.000 0.416 147 R N 0.526 120.992 120.500 -0.056 0.000 2.112 147 R HA -0.217 4.123 4.340 0.000 0.000 0.242 147 R C 2.130 178.412 176.300 -0.030 0.000 1.137 147 R CA 2.344 58.426 56.100 -0.030 0.000 0.944 147 R CB -0.609 29.691 30.300 -0.001 0.000 0.857 147 R HN 0.392 nan 8.270 nan 0.000 0.435 148 T N 0.934 115.476 114.554 -0.020 0.000 2.652 148 T HA -0.164 4.186 4.350 0.000 0.000 0.267 148 T C 2.097 176.765 174.700 -0.053 0.000 1.039 148 T CA 1.773 63.862 62.100 -0.018 0.000 1.153 148 T CB -0.458 68.416 68.868 0.010 0.000 0.863 148 T HN 0.258 nan 8.240 nan 0.000 0.428 149 I N 1.874 122.384 120.570 -0.100 0.000 2.208 149 I HA -0.209 3.961 4.170 0.000 0.000 0.245 149 I C 3.109 179.165 176.117 -0.102 0.000 1.097 149 I CA 1.273 62.497 61.300 -0.127 0.000 1.363 149 I CB -0.613 37.265 38.000 -0.203 0.000 1.051 149 I HN 0.286 nan 8.210 nan 0.000 0.413 150 A N 0.656 123.418 122.820 -0.095 0.000 1.933 150 A HA -0.170 4.150 4.320 0.000 0.000 0.218 150 A C 2.527 180.074 177.584 -0.061 0.000 1.175 150 A CA 1.889 53.880 52.037 -0.077 0.000 0.628 150 A CB -0.748 18.209 19.000 -0.070 0.000 0.814 150 A HN 0.451 nan 8.150 nan 0.000 0.444 151 A N -0.380 122.412 122.820 -0.046 0.000 1.930 151 A HA -0.110 4.210 4.320 0.000 0.000 0.217 151 A C 2.228 179.799 177.584 -0.022 0.000 1.175 151 A CA 1.405 53.423 52.037 -0.031 0.000 0.627 151 A CB -0.417 18.577 19.000 -0.010 0.000 0.815 151 A HN 0.542 nan 8.150 nan 0.000 0.443 152 R N -1.057 119.444 120.500 0.002 0.000 2.073 152 R HA -0.113 4.227 4.340 0.000 0.000 0.234 152 R C 2.287 178.584 176.300 -0.005 0.000 1.134 152 R CA 1.730 57.876 56.100 0.078 0.000 0.952 152 R CB -0.380 29.904 30.300 -0.026 0.000 0.850 152 R HN 0.426 nan 8.270 nan 0.000 0.433 153 M N 0.546 120.104 119.600 -0.071 0.000 2.080 153 M HA -0.180 4.300 4.480 0.000 0.000 0.260 153 M C 2.038 178.236 176.300 -0.171 0.000 1.068 153 M CA 1.810 57.041 55.300 -0.114 0.000 1.109 153 M CB -0.829 31.728 32.600 -0.072 0.000 1.342 153 M HN 0.136 nan 8.290 nan 0.000 0.405 154 R N -0.239 120.182 120.500 -0.132 0.000 2.280 154 R HA -0.098 4.242 4.340 0.000 0.000 0.207 154 R C 1.499 177.669 176.300 -0.215 0.000 1.043 154 R CA 1.138 57.150 56.100 -0.147 0.000 1.006 154 R CB -0.474 29.773 30.300 -0.088 0.000 0.885 154 R HN 0.382 nan 8.270 nan 0.000 0.467 155 D N 0.381 120.606 120.400 -0.291 0.000 2.234 155 D HA -0.083 4.557 4.640 0.000 0.000 0.205 155 D C 1.516 177.182 176.300 -1.057 0.000 0.962 155 D CA 0.418 54.117 54.000 -0.501 0.000 0.855 155 D CB 0.330 40.857 40.800 -0.454 0.000 0.951 155 D HN 0.031 nan 8.370 nan 0.000 0.500 156 V N -0.291 118.979 119.914 -1.073 0.000 3.406 156 V HA 0.225 4.345 4.120 0.000 0.000 0.263 156 V C 2.036 177.702 176.094 -0.713 0.000 1.172 156 V CA 1.086 62.505 62.300 -1.469 0.000 1.140 156 V CB -0.237 30.766 31.823 -1.367 0.000 0.784 156 V HN 0.278 nan 8.190 nan 0.000 0.467 157 A N 0.012 122.597 122.820 -0.391 0.000 2.032 157 A HA -0.174 4.146 4.320 0.000 0.000 0.221 157 A C 2.051 179.643 177.584 0.014 0.000 1.165 157 A CA 2.068 54.026 52.037 -0.133 0.000 0.645 157 A CB -0.400 18.544 19.000 -0.095 0.000 0.807 157 A HN 0.579 nan 8.150 nan 0.000 0.453 158 L N -2.504 118.756 121.223 0.061 0.000 2.131 158 L HA -0.129 4.211 4.340 0.000 0.000 0.206 158 L C 2.558 179.769 176.870 0.569 0.000 1.087 158 L CA 0.623 55.653 54.840 0.317 0.000 0.767 158 L CB -0.481 41.790 42.059 0.353 0.000 0.917 158 L HN 0.559 nan 8.230 nan 0.000 0.441 159 W N 0.776 122.178 121.300 0.170 0.000 2.379 159 W HA -0.110 4.550 4.660 0.000 0.000 0.307 159 W C 2.675 179.451 176.519 0.428 0.000 1.200 159 W CA 0.240 57.752 57.345 0.278 0.000 1.297 159 W CB -1.230 28.156 29.460 -0.123 0.000 1.140 159 W HN 0.163 nan 8.180 nan 0.000 0.507 160 Q N 0.457 120.504 119.800 0.411 0.000 2.045 160 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 160 Q C 2.308 178.529 176.000 0.369 0.000 0.991 160 Q CA 1.858 57.912 55.803 0.418 0.000 0.851 160 Q CB -0.545 28.352 28.738 0.265 0.000 0.911 160 Q HN 0.049 nan 8.270 nan 0.000 0.418 161 K N 0.432 120.999 120.400 0.279 0.000 2.020 161 K HA -0.215 4.105 4.320 0.000 0.000 0.212 161 K C 1.875 178.571 176.600 0.160 0.000 1.050 161 K CA 1.897 58.285 56.287 0.168 0.000 0.929 161 K CB -0.364 32.199 32.500 0.104 0.000 0.714 161 K HN 0.392 nan 8.250 nan 0.000 0.443 162 H N 0.146 119.341 119.070 0.208 0.000 2.319 162 H HA -0.159 4.397 4.556 0.000 0.000 0.299 162 H C 1.937 177.315 175.328 0.083 0.000 1.092 162 H CA 1.793 57.905 56.048 0.107 0.000 1.302 162 H CB -0.143 29.676 29.762 0.096 0.000 1.373 162 H HN 0.100 nan 8.280 nan 0.000 0.497 163 L N 0.919 122.408 121.223 0.443 0.000 2.013 163 L HA -0.236 4.104 4.340 0.000 0.000 0.212 163 L C 1.450 178.494 176.870 0.289 0.000 1.073 163 L CA 1.958 57.061 54.840 0.438 0.000 0.753 163 L CB -0.465 41.998 42.059 0.673 0.000 0.890 163 L HN 0.223 nan 8.230 nan 0.000 0.432 164 D N -0.767 119.787 120.400 0.258 0.000 2.133 164 D HA -0.219 4.421 4.640 0.000 0.000 0.195 164 D C 2.270 178.628 176.300 0.098 0.000 0.997 164 D CA 2.067 56.164 54.000 0.161 0.000 0.840 164 D CB -0.630 40.262 40.800 0.153 0.000 0.947 164 D HN 0.647 nan 8.370 nan 0.000 0.452 165 T N -0.979 113.626 114.554 0.085 0.000 2.708 165 T HA -0.079 4.271 4.350 0.000 0.000 0.266 165 T C 2.118 176.852 174.700 0.056 0.000 1.037 165 T CA 1.837 63.964 62.100 0.046 0.000 1.146 165 T CB -0.533 68.338 68.868 0.004 0.000 0.865 165 T HN 0.111 nan 8.240 nan 0.000 0.435 166 A N 2.777 125.639 122.820 0.070 0.000 1.873 166 A HA -0.078 4.242 4.320 0.000 0.000 0.218 166 A C 2.553 180.194 177.584 0.096 0.000 1.193 166 A CA 2.358 54.446 52.037 0.085 0.000 0.629 166 A CB -0.873 18.181 19.000 0.091 0.000 0.826 166 A HN 0.507 nan 8.150 nan 0.000 0.447 167 M N 0.327 119.969 119.600 0.070 0.000 2.358 167 M HA -0.091 4.389 4.480 0.000 0.000 0.264 167 M C 2.007 178.317 176.300 0.017 0.000 1.064 167 M CA 1.982 57.283 55.300 0.001 0.000 1.093 167 M CB -1.784 30.753 32.600 -0.104 0.000 1.401 167 M HN 0.744 nan 8.290 nan 0.000 0.440 168 T N -3.006 111.575 114.554 0.045 0.000 3.039 168 T HA 0.063 4.413 4.350 0.000 0.000 0.250 168 T C 1.738 176.486 174.700 0.079 0.000 1.052 168 T CA 0.047 62.180 62.100 0.055 0.000 1.125 168 T CB -0.224 68.669 68.868 0.041 0.000 0.908 168 T HN 0.154 nan 8.240 nan 0.000 0.473 169 M N 1.371 121.016 119.600 0.075 0.000 2.337 169 M HA 0.157 4.637 4.480 0.000 0.000 0.261 169 M C -0.038 176.326 176.300 0.107 0.000 1.067 169 M CA 1.231 56.578 55.300 0.078 0.000 1.074 169 M CB -0.937 31.697 32.600 0.057 0.000 1.395 169 M HN 0.326 nan 8.290 nan 0.000 0.431 170 L N 0.755 122.063 121.223 0.142 0.000 2.448 170 L HA 0.153 4.493 4.340 0.000 0.000 0.257 170 L C 0.089 177.107 176.870 0.246 0.000 1.504 170 L CA -0.493 54.478 54.840 0.218 0.000 0.852 170 L CB 0.847 42.976 42.059 0.116 0.000 1.051 170 L HN -0.149 nan 8.230 nan 0.000 0.518 171 T N 3.905 118.593 114.554 0.223 0.000 2.576 171 T HA 0.014 4.364 4.350 0.000 0.000 0.251 171 T C -1.305 173.475 174.700 0.134 0.000 1.050 171 T CA -0.313 61.877 62.100 0.148 0.000 1.286 171 T CB 0.270 69.194 68.868 0.093 0.000 1.028 171 T HN 0.280 nan 8.240 nan 0.000 0.509 172 P HA 0.170 nan 4.420 nan 0.000 0.286 172 P C -0.760 176.398 177.300 -0.236 0.000 1.577 172 P CA -0.058 62.904 63.100 -0.230 0.000 0.805 172 P CB -0.217 31.259 31.700 -0.373 0.000 1.706 173 D N 0.697 121.047 120.400 -0.084 0.000 2.464 173 D HA 0.270 4.910 4.640 0.000 0.000 0.243 173 D C -0.190 176.095 176.300 -0.026 0.000 1.104 173 D CA -0.160 53.797 54.000 -0.071 0.000 0.883 173 D CB 0.767 41.542 40.800 -0.042 0.000 1.050 173 D HN -0.011 nan 8.370 nan 0.000 0.524 174 I N 2.707 123.241 120.570 -0.059 0.000 2.428 174 I HA 0.056 4.226 4.170 0.000 0.000 0.279 174 I C 1.459 177.558 176.117 -0.029 0.000 1.040 174 I CA -0.258 61.030 61.300 -0.020 0.000 1.171 174 I CB 0.996 38.991 38.000 -0.008 0.000 1.312 174 I HN 0.302 nan 8.210 nan 0.000 0.470 175 S N 3.959 119.651 115.700 -0.012 0.000 2.469 175 S HA 0.069 4.539 4.470 0.000 0.000 0.238 175 S C 0.895 175.492 174.600 -0.004 0.000 0.998 175 S CA 0.424 58.620 58.200 -0.007 0.000 0.957 175 S CB 0.108 63.308 63.200 -0.001 0.000 0.764 175 S HN 0.672 nan 8.310 nan 0.000 0.514 176 A N -0.080 122.737 122.820 -0.004 0.000 2.530 176 A HA 0.704 5.024 4.320 0.000 0.000 0.279 176 A C 0.720 178.303 177.584 -0.001 0.000 1.109 176 A CA -0.205 51.831 52.037 -0.002 0.000 0.763 176 A CB 0.354 19.354 19.000 0.001 0.000 1.257 176 A HN 1.374 nan 8.150 nan 0.000 0.424 177 G N 1.506 110.302 108.800 -0.006 0.000 2.650 177 G HA2 0.225 4.185 3.960 0.000 0.000 0.264 177 G HA3 0.225 4.185 3.960 0.000 0.000 0.264 177 G C 0.224 175.114 174.900 -0.017 0.000 1.263 177 G CA 0.351 45.447 45.100 -0.007 0.000 0.960 177 G HN 2.647 nan 8.290 nan 0.000 0.548 178 S N -0.875 114.821 115.700 -0.007 0.000 2.548 178 S HA 0.882 5.352 4.470 0.000 0.000 0.278 178 S C -0.563 174.049 174.600 0.019 0.000 1.150 178 S CA 0.634 58.824 58.200 -0.017 0.000 0.907 178 S CB 1.423 64.612 63.200 -0.018 0.000 1.108 178 S HN 2.475 nan 8.310 nan 0.000 0.459 179 A N 1.331 124.156 122.820 0.009 0.000 2.380 179 A HA 0.969 5.289 4.320 0.000 0.000 0.315 179 A C -0.320 177.277 177.584 0.022 0.000 1.101 179 A CA -0.863 51.234 52.037 0.101 0.000 0.771 179 A CB 1.991 21.168 19.000 0.296 0.000 1.287 179 A HN 1.209 nan 8.150 nan 0.000 0.436 180 S N -0.734 115.047 115.700 0.135 0.000 2.546 180 S HA 0.656 5.126 4.470 0.000 0.000 0.272 180 S C -1.373 173.347 174.600 0.200 0.000 1.140 180 S CA -0.269 58.010 58.200 0.131 0.000 0.920 180 S CB 1.252 64.491 63.200 0.064 0.000 1.083 180 S HN 1.809 nan 8.310 nan 0.000 0.476 181 C N 3.963 123.378 119.300 0.192 0.000 3.285 181 C HA 0.583 5.043 4.460 0.000 0.000 0.325 181 C C -0.843 174.096 174.990 -0.086 0.000 1.304 181 C CA -0.841 58.173 59.018 -0.006 0.000 1.319 181 C CB 1.224 28.827 27.740 -0.227 0.000 1.640 181 C HN 0.976 nan 8.230 nan 0.000 0.477 182 N N 2.297 120.950 118.700 -0.078 0.000 2.394 182 N HA -0.037 4.703 4.740 0.000 0.000 0.277 182 N C 0.833 176.321 175.510 -0.036 0.000 1.346 182 N CA 0.379 53.406 53.050 -0.038 0.000 0.910 182 N CB 0.114 38.570 38.487 -0.052 0.000 1.201 182 N HN 0.890 nan 8.380 nan 0.000 0.488 183 W N 3.751 124.957 121.300 -0.157 0.000 2.363 183 W HA -0.214 4.446 4.660 0.000 0.000 0.296 183 W C 1.627 178.062 176.519 -0.140 0.000 1.212 183 W CA 0.252 57.514 57.345 -0.138 0.000 1.260 183 W CB 0.252 29.746 29.460 0.056 0.000 1.131 183 W HN 0.591 nan 8.180 nan 0.000 0.530 184 K N -0.022 120.403 120.400 0.041 0.000 2.020 184 K HA -0.220 4.100 4.320 0.000 0.000 0.212 184 K C 1.998 178.457 176.600 -0.234 0.000 1.050 184 K CA 2.069 58.276 56.287 -0.135 0.000 0.929 184 K CB -0.859 31.566 32.500 -0.124 0.000 0.714 184 K HN -0.018 nan 8.250 nan 0.000 0.443 185 S N 1.618 117.181 115.700 -0.229 0.000 2.368 185 S HA -0.184 4.286 4.470 0.000 0.000 0.226 185 S C 2.065 176.530 174.600 -0.224 0.000 1.044 185 S CA 1.488 59.508 58.200 -0.299 0.000 1.062 185 S CB -0.444 62.628 63.200 -0.214 0.000 0.931 185 S HN 0.160 nan 8.310 nan 0.000 0.440 186 L N 1.076 122.212 121.223 -0.145 0.000 1.970 186 L HA -0.136 4.204 4.340 0.000 0.000 0.212 186 L C 2.360 179.223 176.870 -0.013 0.000 1.071 186 L CA 1.254 56.042 54.840 -0.087 0.000 0.751 186 L CB -0.783 41.152 42.059 -0.207 0.000 0.889 186 L HN 0.261 nan 8.230 nan 0.000 0.432 187 L N -0.379 120.805 121.223 -0.064 0.000 2.043 187 L HA -0.279 4.061 4.340 0.000 0.000 0.212 187 L C 2.783 179.592 176.870 -0.102 0.000 1.075 187 L CA 1.460 56.193 54.840 -0.178 0.000 0.752 187 L CB -0.885 40.934 42.059 -0.400 0.000 0.891 187 L HN 0.318 nan 8.230 nan 0.000 0.432 188 A N -0.976 121.752 122.820 -0.155 0.000 1.930 188 A HA -0.142 4.178 4.320 0.000 0.000 0.215 188 A C 2.228 179.922 177.584 0.183 0.000 1.176 188 A CA 0.900 52.901 52.037 -0.060 0.000 0.632 188 A CB -0.704 18.163 19.000 -0.222 0.000 0.819 188 A HN 0.365 nan 8.150 nan 0.000 0.445 189 F N 0.344 120.188 119.950 -0.178 0.000 2.186 189 F HA -0.138 4.389 4.527 0.000 0.000 0.299 189 F C 2.743 178.612 175.800 0.115 0.000 1.090 189 F CA 0.482 58.556 58.000 0.123 0.000 1.307 189 F CB 0.020 39.030 39.000 0.017 0.000 1.019 189 F HN 0.336 nan 8.300 nan 0.000 0.489 190 A N 0.485 123.422 122.820 0.195 0.000 1.884 190 A HA -0.302 4.018 4.320 0.000 0.000 0.219 190 A C 2.003 179.660 177.584 0.121 0.000 1.197 190 A CA 2.214 54.314 52.037 0.105 0.000 0.637 190 A CB -0.734 18.302 19.000 0.061 0.000 0.827 190 A HN 0.381 nan 8.150 nan 0.000 0.450 191 K N -1.143 119.333 120.400 0.126 0.000 2.432 191 K HA -0.062 4.258 4.320 0.000 0.000 0.196 191 K C 1.217 177.897 176.600 0.133 0.000 1.038 191 K CA 0.997 57.345 56.287 0.101 0.000 0.986 191 K CB -0.041 32.499 32.500 0.066 0.000 0.782 191 K HN 0.560 nan 8.250 nan 0.000 0.485 192 D N 0.238 120.777 120.400 0.232 0.000 2.305 192 D HA -0.030 4.610 4.640 0.000 0.000 0.206 192 D C 1.372 177.787 176.300 0.191 0.000 0.974 192 D CA 0.661 54.787 54.000 0.210 0.000 0.871 192 D CB 0.421 41.389 40.800 0.280 0.000 0.947 192 D HN -0.041 nan 8.370 nan 0.000 0.516 193 I N 0.202 120.904 120.570 0.220 0.000 3.445 193 I HA 0.140 4.310 4.170 0.000 0.000 0.288 193 I C 0.879 177.047 176.117 0.086 0.000 1.198 193 I CA 0.089 61.482 61.300 0.154 0.000 1.417 193 I CB -0.905 37.178 38.000 0.139 0.000 1.205 193 I HN -0.009 nan 8.210 nan 0.000 0.448 194 L N 3.168 124.434 121.223 0.071 0.000 2.514 194 L HA 0.056 4.396 4.340 0.000 0.000 0.280 194 L C -1.932 174.956 176.870 0.030 0.000 1.223 194 L CA -1.163 53.702 54.840 0.042 0.000 0.864 194 L CB -0.297 41.781 42.059 0.031 0.000 1.118 194 L HN -0.092 nan 8.230 nan 0.000 0.494 195 P HA 0.057 nan 4.420 nan 0.000 0.271 195 P C 0.674 177.982 177.300 0.013 0.000 1.226 195 P CA -0.133 62.979 63.100 0.021 0.000 0.765 195 P CB 0.690 32.404 31.700 0.024 0.000 0.835 196 L N 2.330 123.556 121.223 0.005 0.000 2.051 196 L HA -0.250 4.090 4.340 0.000 0.000 0.214 196 L C 1.637 178.500 176.870 -0.012 0.000 1.076 196 L CA 1.747 56.581 54.840 -0.009 0.000 0.758 196 L CB -0.608 41.444 42.059 -0.010 0.000 0.890 196 L HN 0.462 nan 8.230 nan 0.000 0.433 197 D N -0.410 119.997 120.400 0.012 0.000 2.351 197 D HA -0.089 4.551 4.640 0.000 0.000 0.216 197 D C 0.441 176.783 176.300 0.070 0.000 0.968 197 D CA 0.451 54.470 54.000 0.031 0.000 0.899 197 D CB -0.526 40.300 40.800 0.043 0.000 0.907 197 D HN 0.423 nan 8.370 nan 0.000 0.514 198 N N 0.686 119.432 118.700 0.076 0.000 2.454 198 N HA -0.002 4.738 4.740 0.000 0.000 0.254 198 N C 1.379 176.816 175.510 -0.121 0.000 1.228 198 N CA -0.037 53.087 53.050 0.123 0.000 0.900 198 N CB 0.800 39.346 38.487 0.098 0.000 1.089 198 N HN 0.013 nan 8.380 nan 0.000 0.449 199 L N 0.493 121.450 121.223 -0.443 0.000 2.191 199 L HA -0.212 4.128 4.340 0.000 0.000 0.212 199 L C 1.735 178.404 176.870 -0.336 0.000 1.103 199 L CA 0.710 55.273 54.840 -0.460 0.000 0.769 199 L CB -0.351 41.400 42.059 -0.513 0.000 0.908 199 L HN 0.710 nan 8.230 nan 0.000 0.438 200 C N -0.252 118.723 119.300 -0.543 0.000 2.413 200 C HA -0.149 4.311 4.460 0.000 0.000 0.277 200 C C 2.566 177.420 174.990 -0.226 0.000 1.265 200 C CA 0.344 59.042 59.018 -0.533 0.000 1.752 200 C CB -0.787 26.665 27.740 -0.479 0.000 1.998 200 C HN 0.415 nan 8.230 nan 0.000 0.489 201 L N 1.295 122.397 121.223 -0.201 0.000 2.313 201 L HA -0.044 4.296 4.340 0.000 0.000 0.214 201 L C 2.722 179.452 176.870 -0.235 0.000 1.119 201 L CA 1.983 56.725 54.840 -0.164 0.000 0.809 201 L CB -1.096 40.895 42.059 -0.114 0.000 0.933 201 L HN 0.499 nan 8.230 nan 0.000 0.449 202 T N -3.780 110.517 114.554 -0.428 0.000 2.851 202 T HA -0.158 4.192 4.350 0.000 0.000 0.262 202 T C 1.112 175.353 174.700 -0.765 0.000 1.043 202 T CA 0.976 62.632 62.100 -0.740 0.000 1.140 202 T CB -0.516 67.599 68.868 -1.255 0.000 0.872 202 T HN 0.284 nan 8.240 nan 0.000 0.446 203 Y N 1.783 122.139 120.300 0.092 0.000 2.833 203 Y HA 0.347 4.897 4.550 0.000 0.000 0.339 203 Y C -1.705 174.350 175.900 0.259 0.000 1.032 203 Y CA -2.734 55.462 58.100 0.160 0.000 1.450 203 Y CB 0.365 38.897 38.460 0.120 0.000 1.296 203 Y HN 0.235 nan 8.280 nan 0.000 0.535 204 P HA -0.227 nan 4.420 nan 0.000 0.215 204 P C 1.043 178.447 177.300 0.174 0.000 1.163 204 P CA 1.713 64.888 63.100 0.124 0.000 0.894 204 P CB 0.350 32.044 31.700 -0.009 0.000 0.791 205 N N -1.095 117.654 118.700 0.083 0.000 2.036 205 N HA -0.196 4.544 4.740 0.000 0.000 0.195 205 N C 1.747 177.295 175.510 0.062 0.000 1.037 205 N CA 1.413 54.473 53.050 0.015 0.000 0.855 205 N CB -0.333 38.120 38.487 -0.056 0.000 1.033 205 N HN 0.080 nan 8.380 nan 0.000 0.423 206 E N -0.046 120.206 120.200 0.088 0.000 2.038 206 E HA -0.174 4.176 4.350 0.000 0.000 0.195 206 E C 2.017 178.715 176.600 0.164 0.000 1.000 206 E CA 1.021 57.451 56.400 0.050 0.000 0.803 206 E CB -0.539 29.100 29.700 -0.101 0.000 0.750 206 E HN 0.461 nan 8.360 nan 0.000 0.448 207 F N -0.035 120.036 119.950 0.202 0.000 2.126 207 F HA -0.254 4.273 4.527 0.000 0.000 0.299 207 F C 2.502 178.476 175.800 0.291 0.000 1.096 207 F CA 1.297 59.457 58.000 0.267 0.000 1.255 207 F CB -0.428 38.716 39.000 0.239 0.000 0.997 207 F HN 0.076 nan 8.300 nan 0.000 0.479 208 Y N 0.881 121.378 120.300 0.328 0.000 2.128 208 Y HA -0.337 4.213 4.550 0.000 0.000 0.284 208 Y C 2.378 178.408 175.900 0.217 0.000 1.154 208 Y CA 2.058 60.307 58.100 0.248 0.000 1.149 208 Y CB -0.690 37.868 38.460 0.164 0.000 0.976 208 Y HN 0.034 nan 8.280 nan 0.000 0.505 209 N N -0.337 118.541 118.700 0.297 0.000 2.036 209 N HA -0.229 4.511 4.740 0.000 0.000 0.195 209 N C 1.687 177.075 175.510 -0.204 0.000 1.037 209 N CA 2.356 55.421 53.050 0.024 0.000 0.855 209 N CB -0.523 37.921 38.487 -0.072 0.000 1.033 209 N HN 0.232 nan 8.380 nan 0.000 0.423 210 V N 0.806 120.731 119.914 0.018 0.000 2.233 210 V HA -0.270 3.850 4.120 0.000 0.000 0.247 210 V C 2.427 178.515 176.094 -0.010 0.000 1.050 210 V CA 2.050 64.367 62.300 0.029 0.000 1.010 210 V CB -1.461 30.381 31.823 0.031 0.000 0.637 210 V HN 0.504 nan 8.190 nan 0.000 0.444 211 A N 0.153 123.063 122.820 0.150 0.000 1.896 211 A HA -0.304 4.016 4.320 0.000 0.000 0.220 211 A C 2.126 179.751 177.584 0.069 0.000 1.206 211 A CA 2.700 54.885 52.037 0.248 0.000 0.647 211 A CB -0.811 18.442 19.000 0.420 0.000 0.828 211 A HN 0.482 nan 8.150 nan 0.000 0.455 212 I N -0.789 119.746 120.570 -0.059 0.000 2.264 212 I HA -0.236 3.934 4.170 0.000 0.000 0.248 212 I C 2.225 178.316 176.117 -0.043 0.000 1.111 212 I CA 1.493 62.736 61.300 -0.095 0.000 1.382 212 I CB -0.473 37.436 38.000 -0.152 0.000 1.060 212 I HN 0.396 nan 8.210 nan 0.000 0.418 213 H N -0.651 118.368 119.070 -0.085 0.000 2.495 213 H HA 0.030 4.586 4.556 0.000 0.000 0.287 213 H C 2.304 177.488 175.328 -0.240 0.000 1.033 213 H CA 0.966 56.940 56.048 -0.123 0.000 1.307 213 H CB -0.055 29.636 29.762 -0.118 0.000 1.401 213 H HN 0.314 nan 8.280 nan 0.000 0.555 214 R N -0.301 120.009 120.500 -0.317 0.000 2.146 214 R HA 0.023 4.363 4.340 0.000 0.000 0.206 214 R C -0.126 175.778 176.300 -0.660 0.000 1.049 214 R CA 0.248 55.972 56.100 -0.627 0.000 1.029 214 R CB 0.473 30.223 30.300 -0.916 0.000 0.949 214 R HN 0.130 nan 8.270 nan 0.000 0.471 215 Y N 0.365 120.631 120.300 -0.056 0.000 2.700 215 Y HA 0.326 4.876 4.550 0.000 0.000 0.333 215 Y C -1.914 173.866 175.900 -0.200 0.000 1.036 215 Y CA -2.748 55.282 58.100 -0.117 0.000 1.287 215 Y CB 1.345 39.741 38.460 -0.106 0.000 1.132 215 Y HN 0.079 nan 8.280 nan 0.000 0.510 216 P HA -0.235 nan 4.420 nan 0.000 0.219 216 P C 1.472 178.410 177.300 -0.603 0.000 1.146 216 P CA 1.639 64.338 63.100 -0.667 0.000 0.808 216 P CB 0.314 31.615 31.700 -0.665 0.000 0.779 217 A N -1.336 121.298 122.820 -0.311 0.000 2.194 217 A HA -0.094 4.226 4.320 0.000 0.000 0.220 217 A C 0.876 178.276 177.584 -0.307 0.000 1.162 217 A CA 1.146 53.016 52.037 -0.279 0.000 0.674 217 A CB -1.022 17.826 19.000 -0.253 0.000 0.789 217 A HN 0.187 nan 8.150 nan 0.000 0.470 218 L N -1.145 119.948 121.223 -0.217 0.000 2.386 218 L HA 0.568 4.908 4.340 0.000 0.000 0.271 218 L C -0.630 176.235 176.870 -0.009 0.000 0.993 218 L CA -0.954 53.800 54.840 -0.144 0.000 0.819 218 L CB 2.128 44.163 42.059 -0.040 0.000 1.294 218 L HN -0.116 nan 8.230 nan 0.000 0.414 219 K N 3.031 123.501 120.400 0.117 0.000 2.259 219 K HA 0.529 4.849 4.320 0.000 0.000 0.249 219 K C -2.526 174.158 176.600 0.139 0.000 0.942 219 K CA -1.901 54.456 56.287 0.118 0.000 0.816 219 K CB 1.729 34.296 32.500 0.112 0.000 1.155 219 K HN 0.183 nan 8.250 nan 0.000 0.428 220 P HA -0.046 nan 4.420 nan 0.000 0.265 220 P C 0.554 177.820 177.300 -0.057 0.000 1.193 220 P CA 0.238 63.187 63.100 -0.252 0.000 0.765 220 P CB 0.761 31.790 31.700 -1.118 0.000 0.823 221 G N 4.202 113.049 108.800 0.078 0.000 4.033 221 G HA2 -0.332 3.628 3.960 0.000 0.000 0.243 221 G HA3 -0.332 3.628 3.960 0.000 0.000 0.243 221 G C 0.815 175.713 174.900 -0.004 0.000 0.867 221 G CA 1.529 46.633 45.100 0.008 0.000 0.718 221 G HN 0.781 nan 8.290 nan 0.000 1.461 222 N N 1.247 119.951 118.700 0.007 0.000 2.291 222 N HA 0.154 4.894 4.740 0.000 0.000 0.244 222 N C -1.099 174.426 175.510 0.026 0.000 1.216 222 N CA -0.010 53.048 53.050 0.013 0.000 0.879 222 N CB 0.656 39.151 38.487 0.014 0.000 1.167 222 N HN 0.312 nan 8.380 nan 0.000 0.515 223 P HA -0.100 nan 4.420 nan 0.000 0.216 223 P C -0.531 176.800 177.300 0.052 0.000 1.157 223 P CA 1.488 64.631 63.100 0.072 0.000 0.880 223 P CB 0.161 31.898 31.700 0.062 0.000 0.791 224 D N -1.070 119.344 120.400 0.023 0.000 2.420 224 D HA 0.128 4.768 4.640 0.000 0.000 0.255 224 D C 0.648 176.954 176.300 0.010 0.000 1.185 224 D CA -0.207 53.804 54.000 0.018 0.000 0.904 224 D CB 1.179 41.989 40.800 0.016 0.000 1.102 224 D HN -0.104 nan 8.370 nan 0.000 0.534 225 T N 1.284 115.845 114.554 0.012 0.000 2.848 225 T HA -0.207 4.143 4.350 0.000 0.000 0.269 225 T C 1.812 176.517 174.700 0.009 0.000 1.081 225 T CA 1.267 63.373 62.100 0.010 0.000 1.125 225 T CB 0.214 69.088 68.868 0.010 0.000 0.848 225 T HN 0.371 nan 8.240 nan 0.000 0.503 226 K N 0.466 120.871 120.400 0.008 0.000 2.032 226 K HA -0.091 4.229 4.320 0.000 0.000 0.218 226 K C 0.540 177.143 176.600 0.005 0.000 1.054 226 K CA 1.099 57.390 56.287 0.007 0.000 0.941 226 K CB -0.160 32.344 32.500 0.006 0.000 0.720 226 K HN 0.307 nan 8.250 nan 0.000 0.449 227 L N 0.519 121.744 121.223 0.003 0.000 2.490 227 L HA 0.223 4.563 4.340 0.000 0.000 0.256 227 L C -2.105 174.762 176.870 -0.006 0.000 1.089 227 L CA -1.188 53.652 54.840 -0.001 0.000 0.916 227 L CB 1.978 44.035 42.059 -0.004 0.000 1.188 227 L HN 0.042 nan 8.230 nan 0.000 0.476 228 P HA 0.065 nan 4.420 nan 0.000 0.228 228 P C -0.223 177.073 177.300 -0.006 0.000 1.166 228 P CA 0.483 63.575 63.100 -0.015 0.000 0.812 228 P CB 0.770 32.473 31.700 0.004 0.000 0.857 229 D N 0.350 120.756 120.400 0.011 0.000 2.181 229 D HA 0.527 5.167 4.640 0.000 0.000 0.248 229 D C -0.257 176.045 176.300 0.003 0.000 1.020 229 D CA -0.164 53.852 54.000 0.028 0.000 0.891 229 D CB 2.492 43.312 40.800 0.034 0.000 1.187 229 D HN 0.029 nan 8.370 nan 0.000 0.443 230 A N 0.993 123.816 122.820 0.005 0.000 2.594 230 A HA 0.323 4.643 4.320 0.000 0.000 0.291 230 A C 0.069 177.567 177.584 -0.143 0.000 1.105 230 A CA -0.466 51.514 52.037 -0.095 0.000 0.694 230 A CB 2.172 21.052 19.000 -0.199 0.000 1.291 230 A HN 0.348 nan 8.150 nan 0.000 0.410 231 Q N -0.410 119.268 119.800 -0.202 0.000 2.392 231 Q HA 0.270 4.610 4.340 0.000 0.000 0.219 231 Q C 0.637 176.453 176.000 -0.307 0.000 0.895 231 Q CA 1.014 56.725 55.803 -0.154 0.000 0.929 231 Q CB 0.746 29.457 28.738 -0.045 0.000 1.077 231 Q HN 0.861 nan 8.270 nan 0.000 0.532 232 A N 1.431 124.004 122.820 -0.413 0.000 2.274 232 A HA 0.507 4.827 4.320 0.000 0.000 0.309 232 A C -0.380 176.845 177.584 -0.598 0.000 1.226 232 A CA -0.382 51.429 52.037 -0.377 0.000 0.853 232 A CB 0.333 19.219 19.000 -0.190 0.000 1.146 232 A HN 0.155 nan 8.150 nan 0.000 0.518 233 H N 1.654 120.709 119.070 -0.024 0.000 3.779 233 H HA 0.479 5.035 4.556 0.000 0.000 0.320 233 H C -1.959 173.349 175.328 -0.034 0.000 1.666 233 H CA -1.301 54.736 56.048 -0.019 0.000 1.439 233 H CB -0.408 29.340 29.762 -0.024 0.000 1.281 233 H HN 0.430 nan 8.280 nan 0.000 0.809 234 P HA 0.052 nan 4.420 nan 0.000 0.342 234 P C 1.122 178.419 177.300 -0.004 0.000 1.384 234 P CA -0.430 62.664 63.100 -0.010 0.000 0.837 234 P CB 0.636 32.300 31.700 -0.060 0.000 2.025 235 L N -0.256 120.953 121.223 -0.024 0.000 2.027 235 L HA 0.023 4.363 4.340 0.000 0.000 0.206 235 L C 2.161 179.038 176.870 0.011 0.000 1.074 235 L CA 2.438 57.277 54.840 -0.002 0.000 0.745 235 L CB -1.769 40.295 42.059 0.009 0.000 0.898 235 L HN 0.468 nan 8.230 nan 0.000 0.433 236 G N -0.581 108.219 108.800 0.001 0.000 3.376 236 G HA2 -0.534 3.426 3.960 0.000 0.000 0.310 236 G HA3 -0.534 3.426 3.960 0.000 0.000 0.310 236 G C 1.227 176.134 174.900 0.012 0.000 1.137 236 G CA 1.566 46.666 45.100 -0.000 0.000 1.061 236 G HN 0.480 nan 8.290 nan 0.000 1.152 237 E N -0.686 119.518 120.200 0.007 0.000 2.689 237 E HA -0.344 4.006 4.350 0.000 0.000 0.247 237 E C 2.305 178.889 176.600 -0.027 0.000 1.031 237 E CA 2.334 58.733 56.400 -0.002 0.000 1.400 237 E CB -1.244 28.464 29.700 0.014 0.000 1.296 237 E HN 0.503 nan 8.360 nan 0.000 0.475 238 V N 0.445 120.348 119.914 -0.019 0.000 2.215 238 V HA -0.368 3.752 4.120 0.000 0.000 0.249 238 V C 2.111 178.223 176.094 0.030 0.000 1.054 238 V CA 3.055 65.334 62.300 -0.035 0.000 1.012 238 V CB -0.895 30.947 31.823 0.032 0.000 0.639 238 V HN 0.506 nan 8.190 nan 0.000 0.448 239 A N -0.459 122.445 122.820 0.139 0.000 2.032 239 A HA -0.104 4.216 4.320 0.000 0.000 0.221 239 A C 2.285 179.979 177.584 0.183 0.000 1.165 239 A CA 2.130 54.303 52.037 0.227 0.000 0.645 239 A CB -1.359 17.728 19.000 0.145 0.000 0.807 239 A HN 0.820 nan 8.150 nan 0.000 0.453 240 G N -0.696 108.149 108.800 0.076 0.000 2.394 240 G HA2 0.063 4.023 3.960 0.000 0.000 0.215 240 G HA3 0.063 4.023 3.960 0.000 0.000 0.215 240 G C 1.735 176.649 174.900 0.024 0.000 1.165 240 G CA 1.167 46.293 45.100 0.043 0.000 0.784 240 G HN 0.799 nan 8.290 nan 0.000 0.535 241 A N 0.649 123.432 122.820 -0.061 0.000 1.948 241 A HA 0.017 4.337 4.320 0.000 0.000 0.220 241 A C 2.098 179.646 177.584 -0.061 0.000 1.177 241 A CA 1.531 53.482 52.037 -0.144 0.000 0.636 241 A CB -0.588 18.222 19.000 -0.317 0.000 0.815 241 A HN 0.314 nan 8.150 nan 0.000 0.449 242 F N 0.587 120.539 119.950 0.002 0.000 2.293 242 F HA -0.084 4.443 4.527 0.000 0.000 0.300 242 F C 2.108 177.909 175.800 0.003 0.000 1.086 242 F CA 1.120 59.122 58.000 0.003 0.000 1.375 242 F CB -0.414 38.589 39.000 0.005 0.000 1.045 242 F HN 0.285 nan 8.300 nan 0.000 0.516 243 N N 0.231 119.047 118.700 0.193 0.000 2.467 243 N HA 0.116 4.856 4.740 0.000 0.000 0.184 243 N C 0.577 176.126 175.510 0.065 0.000 1.106 243 N CA 0.420 53.532 53.050 0.103 0.000 0.892 243 N CB 0.111 38.645 38.487 0.079 0.000 0.969 243 N HN 0.098 nan 8.380 nan 0.000 0.454 244 A N 1.176 124.029 122.820 0.056 0.000 2.320 244 A HA 0.573 4.893 4.320 0.000 0.000 0.287 244 A C 0.379 177.980 177.584 0.027 0.000 1.181 244 A CA -0.541 51.512 52.037 0.026 0.000 0.831 244 A CB 0.333 19.335 19.000 0.002 0.000 1.102 244 A HN 0.214 nan 8.150 nan 0.000 0.513 245 A N 3.237 126.069 122.820 0.019 0.000 2.567 245 A HA 0.471 4.791 4.320 0.000 0.000 0.240 245 A C 1.001 178.593 177.584 0.013 0.000 1.053 245 A CA 0.839 52.887 52.037 0.018 0.000 0.755 245 A CB -0.525 18.482 19.000 0.012 0.000 0.978 245 A HN 1.538 nan 8.150 nan 0.000 0.507 246 T N -0.410 114.155 114.554 0.017 0.000 2.948 246 T HA 0.471 4.821 4.350 0.000 0.000 0.285 246 T C 1.375 176.081 174.700 0.011 0.000 1.019 246 T CA 0.002 62.111 62.100 0.014 0.000 1.013 246 T CB 1.050 69.931 68.868 0.021 0.000 1.117 246 T HN 1.224 nan 8.240 nan 0.000 0.533 247 S N 0.867 116.571 115.700 0.008 0.000 2.432 247 S HA -0.282 4.189 4.470 0.000 0.000 0.243 247 S C 1.175 175.779 174.600 0.007 0.000 1.069 247 S CA 1.982 60.186 58.200 0.006 0.000 1.047 247 S CB -0.726 62.477 63.200 0.004 0.000 0.854 247 S HN 0.885 nan 8.310 nan 0.000 0.474 248 E N -0.767 119.439 120.200 0.011 0.000 2.441 248 E HA 0.464 4.814 4.350 0.000 0.000 0.212 248 E C -0.234 176.374 176.600 0.013 0.000 0.840 248 E CA -0.040 56.367 56.400 0.011 0.000 1.143 248 E CB 0.840 30.545 29.700 0.010 0.000 1.153 248 E HN 0.276 nan 8.360 nan 0.000 0.539 249 V N 0.664 120.589 119.914 0.017 0.000 2.628 249 V HA 0.540 4.660 4.120 0.000 0.000 0.306 249 V C 1.074 177.180 176.094 0.021 0.000 1.045 249 V CA -0.219 62.093 62.300 0.020 0.000 0.905 249 V CB 1.605 33.442 31.823 0.024 0.000 0.997 249 V HN 0.301 nan 8.190 nan 0.000 0.436 250 G N 3.509 112.320 108.800 0.018 0.000 2.887 250 G HA2 -0.127 3.833 3.960 0.000 0.000 0.189 250 G HA3 -0.127 3.833 3.960 0.000 0.000 0.189 250 G C 0.612 175.528 174.900 0.027 0.000 1.467 250 G CA 1.024 46.135 45.100 0.019 0.000 0.818 250 G HN 0.929 nan 8.290 nan 0.000 0.641 251 S N -0.817 114.900 115.700 0.028 0.000 2.456 251 S HA 0.439 4.909 4.470 0.000 0.000 0.316 251 S C 1.248 175.869 174.600 0.035 0.000 1.089 251 S CA -0.776 57.446 58.200 0.037 0.000 1.101 251 S CB 1.340 64.558 63.200 0.031 0.000 0.995 251 S HN 0.228 nan 8.310 nan 0.000 0.468 252 L N 5.766 127.021 121.223 0.053 0.000 1.990 252 L HA -0.123 4.217 4.340 0.000 0.000 0.213 252 L C 2.860 179.729 176.870 -0.002 0.000 1.072 252 L CA 2.281 57.147 54.840 0.042 0.000 0.755 252 L CB -1.150 40.968 42.059 0.098 0.000 0.889 252 L HN 0.811 nan 8.230 nan 0.000 0.432 253 V N -2.109 117.797 119.914 -0.013 0.000 2.324 253 V HA -0.188 3.932 4.120 0.000 0.000 0.250 253 V C 2.347 178.429 176.094 -0.020 0.000 1.060 253 V CA 1.910 64.185 62.300 -0.041 0.000 1.042 253 V CB -1.930 29.866 31.823 -0.045 0.000 0.650 253 V HN 0.400 nan 8.190 nan 0.000 0.450 254 G N 1.279 110.078 108.800 -0.001 0.000 2.679 254 G HA2 -0.372 3.588 3.960 0.000 0.000 0.217 254 G HA3 -0.372 3.588 3.960 0.000 0.000 0.217 254 G C 1.888 176.788 174.900 0.000 0.000 1.267 254 G CA 2.635 47.737 45.100 0.003 0.000 0.799 254 G HN 0.954 nan 8.290 nan 0.000 0.606 255 S N 0.063 115.765 115.700 0.004 0.000 2.387 255 S HA -0.187 4.283 4.470 0.000 0.000 0.230 255 S C 2.415 177.014 174.600 -0.001 0.000 1.035 255 S CA 2.053 60.256 58.200 0.005 0.000 1.014 255 S CB -0.669 62.536 63.200 0.009 0.000 0.836 255 S HN 0.418 nan 8.310 nan 0.000 0.466 256 S N 1.478 117.172 115.700 -0.010 0.000 2.348 256 S HA -0.106 4.364 4.470 0.000 0.000 0.221 256 S C 2.125 176.714 174.600 -0.018 0.000 1.033 256 S CA 1.582 59.771 58.200 -0.019 0.000 1.010 256 S CB -0.972 62.206 63.200 -0.038 0.000 0.891 256 S HN 0.637 nan 8.310 nan 0.000 0.442 257 S N 0.952 116.640 115.700 -0.019 0.000 2.359 257 S HA -0.131 4.339 4.470 0.000 0.000 0.223 257 S C 2.036 176.632 174.600 -0.006 0.000 1.039 257 S CA 1.965 60.157 58.200 -0.014 0.000 1.042 257 S CB -1.195 61.996 63.200 -0.014 0.000 0.915 257 S HN 0.743 nan 8.310 nan 0.000 0.439 258 T N 3.260 117.813 114.554 -0.002 0.000 2.580 258 T HA -0.126 4.224 4.350 0.000 0.000 0.265 258 T C 1.836 176.539 174.700 0.005 0.000 1.063 258 T CA 1.622 63.724 62.100 0.004 0.000 1.170 258 T CB -0.814 68.058 68.868 0.006 0.000 0.863 258 T HN 0.235 nan 8.240 nan 0.000 0.418 259 L N 0.857 122.083 121.223 0.005 0.000 2.043 259 L HA -0.149 4.191 4.340 0.000 0.000 0.212 259 L C 2.938 179.811 176.870 0.005 0.000 1.075 259 L CA 1.214 56.059 54.840 0.007 0.000 0.752 259 L CB -0.723 41.340 42.059 0.006 0.000 0.891 259 L HN 0.224 nan 8.230 nan 0.000 0.432 260 S N -0.792 114.907 115.700 -0.001 0.000 2.368 260 S HA -0.228 4.242 4.470 0.000 0.000 0.225 260 S C 1.955 176.555 174.600 -0.001 0.000 1.030 260 S CA 1.218 59.416 58.200 -0.003 0.000 0.999 260 S CB -0.239 62.956 63.200 -0.010 0.000 0.844 260 S HN 0.464 nan 8.310 nan 0.000 0.459 261 Q N 0.768 120.569 119.800 0.001 0.000 2.135 261 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 261 Q C 2.504 178.508 176.000 0.008 0.000 0.981 261 Q CA 1.460 57.265 55.803 0.004 0.000 0.856 261 Q CB -0.407 28.334 28.738 0.005 0.000 0.902 261 Q HN 0.610 nan 8.270 nan 0.000 0.425 262 A N 1.195 124.022 122.820 0.011 0.000 1.858 262 A HA -0.199 4.121 4.320 0.000 0.000 0.216 262 A C 2.076 179.668 177.584 0.015 0.000 1.190 262 A CA 1.311 53.358 52.037 0.016 0.000 0.617 262 A CB -0.777 18.235 19.000 0.020 0.000 0.827 262 A HN 0.294 nan 8.150 nan 0.000 0.443 263 I N 0.800 121.377 120.570 0.010 0.000 2.074 263 I HA -0.375 3.795 4.170 0.000 0.000 0.238 263 I C 2.947 179.066 176.117 0.003 0.000 1.037 263 I CA 2.207 63.511 61.300 0.007 0.000 1.301 263 I CB -0.491 37.511 38.000 0.004 0.000 1.016 263 I HN 0.533 nan 8.210 nan 0.000 0.400 264 S N 0.074 115.775 115.700 0.001 0.000 2.419 264 S HA -0.195 4.275 4.470 0.000 0.000 0.233 264 S C 2.035 176.633 174.600 -0.003 0.000 1.016 264 S CA 1.560 59.758 58.200 -0.003 0.000 0.974 264 S CB -1.257 61.941 63.200 -0.004 0.000 0.786 264 S HN 0.642 nan 8.310 nan 0.000 0.492 265 T N -0.394 114.162 114.554 0.003 0.000 2.777 265 T HA -0.015 4.335 4.350 0.000 0.000 0.266 265 T C 1.726 176.428 174.700 0.004 0.000 1.040 265 T CA 1.332 63.436 62.100 0.006 0.000 1.141 265 T CB -0.573 68.305 68.868 0.017 0.000 0.868 265 T HN 0.243 nan 8.240 nan 0.000 0.444 266 M N 2.159 121.763 119.600 0.007 0.000 2.108 266 M HA 0.169 4.649 4.480 0.000 0.000 0.261 266 M C 2.662 178.955 176.300 -0.012 0.000 1.066 266 M CA 1.316 56.618 55.300 0.003 0.000 1.107 266 M CB -1.171 31.434 32.600 0.009 0.000 1.356 266 M HN 0.450 nan 8.290 nan 0.000 0.406 267 A N -0.683 122.130 122.820 -0.012 0.000 1.892 267 A HA -0.100 4.220 4.320 0.000 0.000 0.218 267 A C 2.356 179.920 177.584 -0.032 0.000 1.188 267 A CA 2.041 54.066 52.037 -0.019 0.000 0.631 267 A CB -1.664 17.328 19.000 -0.014 0.000 0.822 267 A HN 0.558 nan 8.150 nan 0.000 0.447 268 G N -1.047 107.733 108.800 -0.033 0.000 2.448 268 G HA2 -0.172 3.788 3.960 0.000 0.000 0.218 268 G HA3 -0.172 3.788 3.960 0.000 0.000 0.218 268 G C 1.579 176.429 174.900 -0.083 0.000 1.135 268 G CA 0.992 46.063 45.100 -0.048 0.000 0.784 268 G HN 0.557 nan 8.290 nan 0.000 0.543 269 K N 0.166 120.519 120.400 -0.078 0.000 2.211 269 K HA -0.092 4.228 4.320 0.000 0.000 0.203 269 K C 0.790 177.301 176.600 -0.148 0.000 1.050 269 K CA 0.720 56.928 56.287 -0.132 0.000 0.945 269 K CB -0.078 32.381 32.500 -0.067 0.000 0.732 269 K HN 0.165 nan 8.250 nan 0.000 0.451 270 D N 0.003 120.349 120.400 -0.089 0.000 2.882 270 D HA -0.220 4.420 4.640 0.000 0.000 0.229 270 D C 0.342 176.613 176.300 -0.047 0.000 1.167 270 D CA 0.772 54.733 54.000 -0.065 0.000 0.759 270 D CB -0.558 40.198 40.800 -0.074 0.000 1.088 270 D HN 0.235 nan 8.370 nan 0.000 0.425 271 L N -0.368 120.833 121.223 -0.037 0.000 3.416 271 L HA -0.442 3.898 4.340 0.000 0.000 0.064 271 L C 1.986 178.857 176.870 0.001 0.000 4.443 271 L CA 2.960 57.792 54.840 -0.013 0.000 0.473 271 L CB -1.661 40.395 42.059 -0.005 0.000 3.550 271 L HN 0.214 nan 8.230 nan 0.000 0.667 272 D N -0.733 119.666 120.400 -0.000 0.000 2.200 272 D HA -0.256 4.384 4.640 0.000 0.000 0.192 272 D C 2.063 178.392 176.300 0.048 0.000 1.008 272 D CA 2.103 56.113 54.000 0.016 0.000 0.872 272 D CB -0.163 40.640 40.800 0.006 0.000 0.923 272 D HN 0.309 nan 8.370 nan 0.000 0.447 273 L N 1.008 122.258 121.223 0.044 0.000 2.223 273 L HA -0.294 4.046 4.340 0.000 0.000 0.230 273 L C 2.341 179.380 176.870 0.282 0.000 1.110 273 L CA 1.634 56.561 54.840 0.146 0.000 0.834 273 L CB -0.643 41.410 42.059 -0.011 0.000 0.915 273 L HN 0.226 nan 8.230 nan 0.000 0.450 274 I N -1.250 119.426 120.570 0.177 0.000 2.493 274 I HA -0.151 4.019 4.170 0.000 0.000 0.254 274 I C 0.906 177.071 176.117 0.081 0.000 1.160 274 I CA 0.735 62.117 61.300 0.136 0.000 1.445 274 I CB -0.944 37.106 38.000 0.083 0.000 1.086 274 I HN 0.277 nan 8.210 nan 0.000 0.433 275 E N 1.652 121.890 120.200 0.064 0.000 2.341 275 E HA 0.418 4.768 4.350 0.000 0.000 0.279 275 E C -0.128 176.493 176.600 0.036 0.000 1.395 275 E CA -0.070 56.351 56.400 0.036 0.000 1.648 275 E CB 0.182 29.896 29.700 0.023 0.000 1.524 275 E HN 0.256 nan 8.360 nan 0.000 0.462 276 A N 1.178 124.022 122.820 0.039 0.000 2.466 276 A HA 0.377 4.697 4.320 0.000 0.000 0.291 276 A C -0.234 177.350 177.584 0.001 0.000 1.234 276 A CA -0.730 51.324 52.037 0.028 0.000 0.752 276 A CB 0.605 19.642 19.000 0.060 0.000 1.153 276 A HN 0.170 nan 8.150 nan 0.000 0.458 277 D N 0.750 121.145 120.400 -0.008 0.000 2.197 277 D HA 0.058 4.698 4.640 0.000 0.000 0.212 277 D C 1.009 177.273 176.300 -0.059 0.000 0.963 277 D CA 1.864 55.850 54.000 -0.023 0.000 0.864 277 D CB 0.204 40.996 40.800 -0.013 0.000 1.009 277 D HN 0.593 nan 8.370 nan 0.000 0.479 278 T N -0.851 113.673 114.554 -0.050 0.000 2.859 278 T HA 0.508 4.858 4.350 0.000 0.000 0.281 278 T C -2.686 171.979 174.700 -0.058 0.000 1.005 278 T CA -2.252 59.812 62.100 -0.060 0.000 1.025 278 T CB 1.442 70.287 68.868 -0.038 0.000 0.977 278 T HN -0.284 nan 8.240 nan 0.000 0.458 279 P HA 0.020 nan 4.420 nan 0.000 0.241 279 P C -0.978 176.310 177.300 -0.020 0.000 1.093 279 P CA 0.110 63.173 63.100 -0.061 0.000 0.843 279 P CB -0.167 31.499 31.700 -0.057 0.000 0.760 280 L N 7.459 128.680 121.223 -0.003 0.000 2.287 280 L HA 0.501 4.841 4.340 0.000 0.000 0.287 280 L C -2.240 174.677 176.870 0.079 0.000 1.022 280 L CA -2.515 52.356 54.840 0.052 0.000 0.814 280 L CB 1.182 43.304 42.059 0.105 0.000 1.217 280 L HN 0.165 nan 8.230 nan 0.000 0.420 281 P HA -0.017 nan 4.420 nan 0.000 0.266 281 P C 1.296 178.661 177.300 0.109 0.000 1.215 281 P CA -0.049 63.092 63.100 0.069 0.000 0.763 281 P CB 0.864 32.589 31.700 0.042 0.000 0.806 282 V N 2.813 122.790 119.914 0.105 0.000 2.251 282 V HA -0.402 3.718 4.120 0.000 0.000 0.259 282 V C 2.211 178.386 176.094 0.136 0.000 1.078 282 V CA 3.018 65.399 62.300 0.135 0.000 1.072 282 V CB -2.639 29.241 31.823 0.095 0.000 0.681 282 V HN 0.618 nan 8.190 nan 0.000 0.454 283 S N 0.424 116.172 115.700 0.080 0.000 2.387 283 S HA -0.187 4.283 4.470 0.000 0.000 0.230 283 S C 1.857 176.474 174.600 0.030 0.000 1.035 283 S CA 1.905 60.135 58.200 0.051 0.000 1.014 283 S CB -1.038 62.179 63.200 0.029 0.000 0.836 283 S HN 0.606 nan 8.310 nan 0.000 0.466 284 V N 0.592 120.525 119.914 0.031 0.000 2.270 284 V HA -0.040 4.080 4.120 0.000 0.000 0.245 284 V C 2.143 178.183 176.094 -0.090 0.000 1.043 284 V CA 2.033 64.326 62.300 -0.013 0.000 1.014 284 V CB -0.888 30.941 31.823 0.010 0.000 0.645 284 V HN 0.529 nan 8.190 nan 0.000 0.447 285 F N 0.908 120.859 119.950 0.001 0.000 2.187 285 F HA -0.002 4.525 4.527 0.000 0.000 0.295 285 F C 1.373 177.218 175.800 0.076 0.000 1.091 285 F CA 0.952 58.959 58.000 0.012 0.000 1.308 285 F CB -0.121 38.915 39.000 0.060 0.000 1.030 285 F HN 0.043 nan 8.300 nan 0.000 0.487 286 T N 3.662 118.317 114.554 0.169 0.000 2.761 286 T HA 0.216 4.566 4.350 0.000 0.000 0.296 286 T C -1.890 172.866 174.700 0.094 0.000 0.934 286 T CA -1.122 61.103 62.100 0.208 0.000 1.091 286 T CB 1.304 70.291 68.868 0.198 0.000 0.896 286 T HN 0.045 nan 8.240 nan 0.000 0.515 287 P HA 0.242 nan 4.420 nan 0.000 0.322 287 P C -0.035 177.302 177.300 0.063 0.000 1.414 287 P CA -0.519 62.624 63.100 0.071 0.000 0.876 287 P CB 0.274 32.032 31.700 0.096 0.000 2.176 288 S N -0.741 114.990 115.700 0.051 0.000 2.499 288 S HA 0.457 4.927 4.470 0.000 0.000 0.279 288 S C -0.424 174.197 174.600 0.036 0.000 1.219 288 S CA -0.522 57.700 58.200 0.037 0.000 1.062 288 S CB -1.014 62.201 63.200 0.025 0.000 0.978 288 S HN 0.112 nan 8.310 nan 0.000 0.489 289 L N 3.639 124.881 121.223 0.031 0.000 2.325 289 L HA 0.774 5.114 4.340 0.000 0.000 0.278 289 L C 0.153 177.032 176.870 0.016 0.000 1.023 289 L CA -0.595 54.261 54.840 0.027 0.000 0.811 289 L CB 1.707 43.786 42.059 0.033 0.000 1.249 289 L HN 0.747 nan 8.230 nan 0.000 0.431 290 A N 3.847 126.675 122.820 0.013 0.000 2.337 290 A HA 0.842 5.162 4.320 0.000 0.000 0.331 290 A C -2.552 175.035 177.584 0.005 0.000 1.137 290 A CA -1.667 50.373 52.037 0.006 0.000 0.807 290 A CB 0.776 19.777 19.000 0.001 0.000 1.250 290 A HN 0.425 nan 8.150 nan 0.000 0.468 291 P HA 0.217 nan 4.420 nan 0.000 0.269 291 P C -0.411 176.883 177.300 -0.011 0.000 1.211 291 P CA 0.135 63.239 63.100 0.005 0.000 0.781 291 P CB 0.374 32.078 31.700 0.006 0.000 0.877 292 R N 0.438 120.932 120.500 -0.010 0.000 2.867 292 R HA 0.602 4.942 4.340 0.000 0.000 0.268 292 R C -0.793 175.369 176.300 -0.230 0.000 1.014 292 R CA -0.729 55.278 56.100 -0.154 0.000 0.946 292 R CB 1.782 31.939 30.300 -0.238 0.000 1.208 292 R HN 0.317 nan 8.270 nan 0.000 0.477 293 S N 1.341 116.781 115.700 -0.433 0.000 2.498 293 S HA 0.614 5.084 4.470 0.000 0.000 0.317 293 S C -1.250 173.097 174.600 -0.422 0.000 1.090 293 S CA -0.512 57.529 58.200 -0.264 0.000 1.089 293 S CB 0.631 63.764 63.200 -0.111 0.000 0.997 293 S HN 0.330 nan 8.310 nan 0.000 0.470 294 Y N 1.458 121.842 120.300 0.140 0.000 2.602 294 Y HA 0.609 5.159 4.550 0.000 0.000 0.342 294 Y C 0.440 176.413 175.900 0.121 0.000 1.029 294 Y CA -1.395 56.808 58.100 0.171 0.000 1.080 294 Y CB 1.399 40.069 38.460 0.351 0.000 1.284 294 Y HN 0.542 nan 8.280 nan 0.000 0.485 295 R N 0.805 121.453 120.500 0.247 0.000 2.589 295 R HA 0.602 4.942 4.340 0.000 0.000 0.293 295 R C -2.806 173.544 176.300 0.084 0.000 0.963 295 R CA -1.734 54.452 56.100 0.144 0.000 0.905 295 R CB 1.698 32.063 30.300 0.109 0.000 1.144 295 R HN 0.268 nan 8.270 nan 0.000 0.459 296 P HA -0.179 nan 4.420 nan 0.000 0.199 296 P C 0.808 178.077 177.300 -0.052 0.000 1.146 296 P CA 2.266 65.356 63.100 -0.018 0.000 0.905 296 P CB -0.073 31.615 31.700 -0.020 0.000 0.737 297 A N -1.454 121.297 122.820 -0.114 0.000 5.101 297 A HA -0.301 4.019 4.320 0.000 0.000 0.360 297 A C 1.150 178.489 177.584 -0.409 0.000 1.612 297 A CA 2.752 54.636 52.037 -0.255 0.000 0.689 297 A CB -2.314 16.636 19.000 -0.083 0.000 1.522 297 A HN 0.309 nan 8.150 nan 0.000 0.416 298 F N -1.478 118.469 119.950 -0.005 0.000 2.835 298 F HA 0.485 5.012 4.527 0.000 0.000 0.342 298 F C 0.441 176.229 175.800 -0.020 0.000 1.202 298 F CA -0.460 57.532 58.000 -0.013 0.000 1.240 298 F CB 0.603 39.600 39.000 -0.006 0.000 1.005 298 F HN 0.395 nan 8.300 nan 0.000 0.507 299 I N 1.301 121.935 120.570 0.107 0.000 3.138 299 I HA 0.115 4.285 4.170 0.000 0.000 0.288 299 I C 0.110 176.228 176.117 0.003 0.000 1.148 299 I CA -0.070 61.251 61.300 0.036 0.000 1.315 299 I CB 0.439 38.428 38.000 -0.018 0.000 1.426 299 I HN -0.115 nan 8.210 nan 0.000 0.615 300 K N 6.762 127.143 120.400 -0.031 0.000 2.389 300 K HA 0.323 4.643 4.320 0.000 0.000 0.261 300 K C -2.016 174.538 176.600 -0.077 0.000 1.014 300 K CA -1.791 54.474 56.287 -0.037 0.000 0.920 300 K CB 1.107 33.593 32.500 -0.022 0.000 1.149 300 K HN 0.260 nan 8.250 nan 0.000 0.444 301 P HA -0.239 nan 4.420 nan 0.000 0.218 301 P C 0.573 177.819 177.300 -0.090 0.000 1.152 301 P CA 1.499 64.539 63.100 -0.101 0.000 0.857 301 P CB 0.468 32.114 31.700 -0.091 0.000 0.787 302 E N -0.764 119.395 120.200 -0.068 0.000 2.085 302 E HA -0.170 4.180 4.350 0.000 0.000 0.194 302 E C 1.747 178.314 176.600 -0.055 0.000 0.994 302 E CA 1.317 57.683 56.400 -0.056 0.000 0.801 302 E CB -0.570 29.104 29.700 -0.043 0.000 0.743 302 E HN 0.395 nan 8.360 nan 0.000 0.453 303 D N -0.438 119.926 120.400 -0.060 0.000 2.301 303 D HA 0.080 4.720 4.640 0.000 0.000 0.206 303 D C 0.142 176.398 176.300 -0.074 0.000 0.979 303 D CA 0.410 54.379 54.000 -0.052 0.000 0.874 303 D CB 0.346 41.126 40.800 -0.034 0.000 0.968 303 D HN 0.069 nan 8.370 nan 0.000 0.510 304 A N 1.829 124.570 122.820 -0.132 0.000 2.798 304 A HA 0.134 4.454 4.320 0.000 0.000 0.316 304 A C 1.271 178.692 177.584 -0.273 0.000 1.506 304 A CA -0.427 51.463 52.037 -0.245 0.000 1.162 304 A CB 0.189 18.973 19.000 -0.359 0.000 1.138 304 A HN -0.060 nan 8.150 nan 0.000 0.532 305 K N 1.779 122.099 120.400 -0.133 0.000 2.044 305 K HA -0.220 4.100 4.320 0.000 0.000 0.224 305 K C 1.551 178.134 176.600 -0.029 0.000 1.056 305 K CA 2.438 58.702 56.287 -0.037 0.000 0.962 305 K CB -0.270 32.277 32.500 0.078 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.713 121.970 121.300 -0.072 0.000 3.077 306 W HA 0.277 4.937 4.660 0.000 0.000 0.245 306 W C 0.276 176.745 176.519 -0.084 0.000 1.316 306 W CA -0.083 57.207 57.345 -0.092 0.000 1.537 306 W CB -0.465 28.913 29.460 -0.137 0.000 1.131 306 W HN -0.019 nan 8.180 nan 0.000 0.695 307 I N 1.088 121.258 120.570 -0.666 0.000 2.586 307 I HA 0.528 4.698 4.170 0.000 0.000 0.281 307 I C -0.493 175.401 176.117 -0.372 0.000 1.145 307 I CA -0.202 60.743 61.300 -0.591 0.000 1.073 307 I CB 0.863 38.228 38.000 -1.058 0.000 1.238 307 I HN -0.097 nan 8.210 nan 0.000 0.461 308 A N 5.784 128.488 122.820 -0.194 0.000 2.468 308 A HA 0.913 5.233 4.320 0.000 0.000 0.270 308 A C -0.993 176.536 177.584 -0.091 0.000 1.217 308 A CA -0.423 51.537 52.037 -0.128 0.000 0.908 308 A CB 1.550 20.498 19.000 -0.086 0.000 1.423 308 A HN 0.546 nan 8.150 nan 0.000 0.459 309 E N -0.681 119.470 120.200 -0.081 0.000 2.317 309 E HA 0.457 4.807 4.350 0.000 0.000 0.270 309 E C -1.674 174.875 176.600 -0.085 0.000 0.885 309 E CA -0.598 55.764 56.400 -0.063 0.000 0.760 309 E CB 1.779 31.433 29.700 -0.077 0.000 1.227 309 E HN 0.431 nan 8.360 nan 0.000 0.434 310 F N 3.589 123.484 119.950 -0.091 0.000 2.553 310 F HA 0.059 4.586 4.527 0.000 0.000 0.356 310 F C 0.808 176.565 175.800 -0.071 0.000 1.142 310 F CA -0.109 57.837 58.000 -0.090 0.000 1.322 310 F CB 0.482 39.424 39.000 -0.097 0.000 1.126 310 F HN 0.297 nan 8.300 nan 0.000 0.599 311 N N 3.866 121.659 118.700 -1.512 0.000 2.443 311 N HA 0.146 4.886 4.740 0.000 0.000 0.295 311 N C -0.962 174.154 175.510 -0.657 0.000 1.076 311 N CA -0.866 51.682 53.050 -0.837 0.000 0.919 311 N CB 0.942 39.063 38.487 -0.611 0.000 1.176 311 N HN 0.606 nan 8.380 nan 0.000 0.487 312 N N 0.830 119.377 118.700 -0.256 0.000 2.395 312 N HA -0.056 4.684 4.740 0.000 0.000 0.246 312 N C -1.008 174.471 175.510 -0.053 0.000 1.246 312 N CA 0.709 53.711 53.050 -0.081 0.000 0.879 312 N CB 0.093 38.551 38.487 -0.048 0.000 1.098 312 N HN 0.694 nan 8.380 nan 0.000 0.444 313 S N 0.125 115.852 115.700 0.045 0.000 3.027 313 S HA -0.026 4.444 4.470 0.000 0.000 0.809 313 S C 0.176 174.877 174.600 0.169 0.000 0.729 313 S CA 0.143 58.385 58.200 0.069 0.000 1.515 313 S CB -2.021 61.188 63.200 0.016 0.000 1.062 313 S HN 1.089 nan 8.310 nan 0.000 0.682 314 S N 1.466 117.257 115.700 0.152 0.000 6.372 314 S HA 0.496 4.966 4.470 0.000 0.000 0.097 314 S C -0.290 174.317 174.600 0.013 0.000 1.206 314 S CA -0.083 58.181 58.200 0.107 0.000 1.380 314 S CB -0.146 63.162 63.200 0.179 0.000 1.932 314 S HN 1.759 nan 8.310 nan 0.000 0.560 315 L N 2.145 123.356 121.223 -0.021 0.000 2.108 315 L HA -0.011 4.329 4.340 0.000 0.000 0.685 315 L C -1.540 175.270 176.870 -0.101 0.000 1.058 315 L CA -0.043 54.761 54.840 -0.060 0.000 1.399 315 L CB -1.129 40.904 42.059 -0.042 0.000 2.171 315 L HN 0.589 nan 8.230 nan 0.000 0.994 316 I N 2.385 122.863 120.570 -0.154 0.000 2.347 316 I HA 0.271 4.441 4.170 0.000 0.000 0.283 316 I C 1.159 177.185 176.117 -0.151 0.000 1.058 316 I CA -0.528 60.680 61.300 -0.154 0.000 1.202 316 I CB 1.052 38.938 38.000 -0.191 0.000 1.386 316 I HN 0.482 nan 8.210 nan 0.000 0.475 317 R N 3.129 123.551 120.500 -0.129 0.000 1.991 317 R HA 0.157 4.497 4.340 0.000 0.000 0.205 317 R C 0.505 176.707 176.300 -0.163 0.000 1.356 317 R CA 0.101 56.117 56.100 -0.140 0.000 1.066 317 R CB -0.294 29.942 30.300 -0.108 0.000 0.854 317 R HN 0.130 nan 8.270 nan 0.000 0.487 318 K N 2.437 122.762 120.400 -0.126 0.000 2.310 318 K HA 0.119 4.439 4.320 0.000 0.000 0.290 318 K C -1.190 175.352 176.600 -0.097 0.000 1.077 318 K CA 0.027 56.242 56.287 -0.121 0.000 0.922 318 K CB 0.595 33.040 32.500 -0.091 0.000 1.057 318 K HN 0.471 nan 8.250 nan 0.000 0.479 319 T N 2.465 116.958 114.554 -0.102 0.000 2.812 319 T HA 0.356 4.706 4.350 0.000 0.000 0.282 319 T C -0.373 174.317 174.700 -0.017 0.000 0.990 319 T CA -1.053 61.013 62.100 -0.056 0.000 0.960 319 T CB 0.825 69.665 68.868 -0.046 0.000 0.948 319 T HN 0.408 nan 8.240 nan 0.000 0.438 320 L N 4.669 125.885 121.223 -0.013 0.000 2.559 320 L HA 0.247 4.587 4.340 0.000 0.000 0.274 320 L C 1.566 178.455 176.870 0.032 0.000 1.205 320 L CA 1.214 56.053 54.840 -0.001 0.000 0.907 320 L CB 0.595 42.638 42.059 -0.027 0.000 1.153 320 L HN 1.070 nan 8.230 nan 0.000 0.490 321 T N 1.953 116.551 114.554 0.073 0.000 3.000 321 T HA 0.173 4.523 4.350 0.000 0.000 0.248 321 T C 0.112 174.909 174.700 0.161 0.000 1.034 321 T CA 0.068 62.246 62.100 0.129 0.000 1.060 321 T CB -0.020 68.969 68.868 0.202 0.000 0.983 321 T HN 0.448 nan 8.240 nan 0.000 0.482 322 Y N 1.004 121.326 120.300 0.037 0.000 2.829 322 Y HA 0.580 5.130 4.550 0.000 0.000 0.322 322 Y C -1.141 174.771 175.900 0.020 0.000 1.357 322 Y CA -2.097 56.019 58.100 0.027 0.000 1.081 322 Y CB 1.451 39.928 38.460 0.028 0.000 1.339 322 Y HN -0.016 nan 8.280 nan 0.000 0.469 323 S N 1.826 116.449 115.700 -1.795 0.000 2.507 323 S HA 0.346 4.816 4.470 0.000 0.000 0.299 323 S C 0.725 175.050 174.600 -0.458 0.000 1.214 323 S CA 0.719 58.380 58.200 -0.898 0.000 1.137 323 S CB -0.631 62.146 63.200 -0.705 0.000 1.009 323 S HN 1.380 nan 8.310 nan 0.000 0.512 324 G N 2.466 111.112 108.800 -0.256 0.000 2.341 324 G HA2 -0.072 3.888 3.960 0.000 0.000 0.292 324 G HA3 -0.072 3.888 3.960 0.000 0.000 0.292 324 G C 0.059 174.922 174.900 -0.061 0.000 1.021 324 G CA 0.188 45.217 45.100 -0.119 0.000 0.905 324 G HN 1.186 nan 8.290 nan 0.000 0.508 325 A N -0.661 122.125 122.820 -0.057 0.000 2.449 325 A HA 1.006 5.326 4.320 0.000 0.000 0.302 325 A C 0.023 177.638 177.584 0.051 0.000 1.048 325 A CA 0.350 52.409 52.037 0.037 0.000 0.708 325 A CB 1.781 20.871 19.000 0.149 0.000 1.274 325 A HN 1.638 nan 8.150 nan 0.000 0.410 326 T N -0.913 113.682 114.554 0.068 0.000 2.912 326 T HA 0.644 4.994 4.350 0.000 0.000 0.299 326 T C -1.160 173.603 174.700 0.105 0.000 1.052 326 T CA -0.495 61.641 62.100 0.059 0.000 0.996 326 T CB 1.355 70.226 68.868 0.004 0.000 1.070 326 T HN 1.146 nan 8.240 nan 0.000 0.465 327 Y N 1.791 122.087 120.300 -0.007 0.000 2.442 327 Y HA 0.553 5.103 4.550 0.000 0.000 0.344 327 Y C -0.199 175.692 175.900 -0.014 0.000 0.976 327 Y CA -0.986 57.102 58.100 -0.020 0.000 1.040 327 Y CB 2.009 40.485 38.460 0.027 0.000 1.228 327 Y HN 0.953 nan 8.280 nan 0.000 0.451 328 T N 3.183 117.256 114.554 -0.801 0.000 2.782 328 T HA 0.160 4.510 4.350 0.000 0.000 0.298 328 T C 0.893 174.946 174.700 -1.078 0.000 0.944 328 T CA -0.322 61.360 62.100 -0.698 0.000 1.001 328 T CB 0.645 69.343 68.868 -0.283 0.000 0.932 328 T HN 0.668 nan 8.240 nan 0.000 0.524 329 V N 2.767 122.194 119.914 -0.811 0.000 2.759 329 V HA -0.081 4.039 4.120 0.000 0.000 0.256 329 V C 1.653 177.672 176.094 -0.124 0.000 1.080 329 V CA 1.792 63.870 62.300 -0.369 0.000 1.101 329 V CB -1.088 30.672 31.823 -0.104 0.000 0.698 329 V HN 1.148 nan 8.190 nan 0.000 0.477 330 Q N -1.067 118.627 119.800 -0.178 0.000 2.481 330 Q HA -0.240 4.100 4.340 0.000 0.000 0.272 330 Q C -0.145 175.788 176.000 -0.112 0.000 1.157 330 Q CA 0.879 56.601 55.803 -0.136 0.000 0.935 330 Q CB -2.334 26.326 28.738 -0.130 0.000 1.338 330 Q HN 0.588 nan 8.270 nan 0.000 0.494 331 L N -0.331 120.814 121.223 -0.131 0.000 2.825 331 L HA 0.295 4.635 4.340 0.000 0.000 0.278 331 L C 1.079 177.919 176.870 -0.051 0.000 1.125 331 L CA 2.127 56.874 54.840 -0.156 0.000 1.023 331 L CB -0.266 41.568 42.059 -0.374 0.000 1.377 331 L HN 0.412 nan 8.230 nan 0.000 0.471 332 G N 4.185 113.037 108.800 0.086 0.000 3.507 332 G HA2 0.225 4.185 3.960 0.000 0.000 0.162 332 G HA3 0.225 4.185 3.960 0.000 0.000 0.162 332 G C -2.803 172.182 174.900 0.142 0.000 1.230 332 G CA -0.124 45.078 45.100 0.170 0.000 1.412 332 G HN 0.374 nan 8.290 nan 0.000 0.723 333 P HA 0.238 nan 4.420 nan 0.000 0.263 333 P C 0.691 177.991 177.300 -0.000 0.000 1.345 333 P CA 1.465 64.567 63.100 0.005 0.000 1.119 333 P CB -0.024 31.665 31.700 -0.017 0.000 1.363 334 G N 4.446 113.246 108.800 -0.001 0.000 2.295 334 G HA2 -0.195 3.765 3.960 0.000 0.000 0.287 334 G HA3 -0.195 3.765 3.960 0.000 0.000 0.287 334 G C -2.193 172.702 174.900 -0.007 0.000 1.055 334 G CA -0.788 44.301 45.100 -0.019 0.000 0.922 334 G HN 0.346 nan 8.290 nan 0.000 0.503 335 P HA 0.287 nan 4.420 nan 0.000 0.263 335 P C 1.357 178.664 177.300 0.011 0.000 1.345 335 P CA 0.905 64.027 63.100 0.037 0.000 1.119 335 P CB -0.063 31.683 31.700 0.076 0.000 1.363 336 T N 1.414 115.946 114.554 -0.037 0.000 13.732 336 T HA -0.269 4.081 4.350 0.000 0.000 0.419 336 T C 0.592 175.266 174.700 -0.043 0.000 1.441 336 T CA 0.823 62.888 62.100 -0.059 0.000 2.344 336 T CB -0.872 67.960 68.868 -0.061 0.000 2.781 336 T HN 0.434 nan 8.240 nan 0.000 0.464 337 R N 0.442 120.932 120.500 -0.016 0.000 2.710 337 R HA 0.575 4.915 4.340 0.000 0.000 0.270 337 R C -1.212 175.100 176.300 0.019 0.000 1.021 337 R CA -0.463 55.626 56.100 -0.017 0.000 0.889 337 R CB 1.727 31.998 30.300 -0.048 0.000 1.243 337 R HN 0.739 nan 8.270 nan 0.000 0.464 338 V N 0.182 120.103 119.914 0.011 0.000 2.311 338 V HA 0.534 4.654 4.120 0.000 0.000 0.275 338 V C 0.040 176.173 176.094 0.065 0.000 1.022 338 V CA -0.842 61.489 62.300 0.051 0.000 0.830 338 V CB 0.770 32.610 31.823 0.028 0.000 1.012 338 V HN 0.502 nan 8.190 nan 0.000 0.452 339 I N 5.342 125.994 120.570 0.137 0.000 2.363 339 I HA 0.260 4.430 4.170 0.000 0.000 0.292 339 I C 0.501 176.719 176.117 0.169 0.000 1.075 339 I CA 0.422 61.814 61.300 0.152 0.000 1.333 339 I CB 0.333 38.489 38.000 0.259 0.000 1.415 339 I HN 0.587 nan 8.210 nan 0.000 0.502 340 D N 8.376 128.855 120.400 0.131 0.000 2.558 340 D HA 0.108 4.748 4.640 0.000 0.000 0.221 340 D C 0.481 176.790 176.300 0.015 0.000 1.143 340 D CA -0.009 54.061 54.000 0.118 0.000 1.010 340 D CB 0.743 41.609 40.800 0.109 0.000 1.068 340 D HN 0.405 nan 8.370 nan 0.000 0.511 341 M N 0.994 120.496 119.600 -0.164 0.000 2.723 341 M HA 0.032 4.512 4.480 0.000 0.000 0.270 341 M C 0.333 176.405 176.300 -0.380 0.000 1.282 341 M CA -0.335 54.612 55.300 -0.588 0.000 0.995 341 M CB -1.333 30.443 32.600 -1.373 0.000 1.430 341 M HN -0.016 nan 8.290 nan 0.000 0.477 342 N N 1.594 120.213 118.700 -0.134 0.000 2.508 342 N HA 0.347 5.087 4.740 0.000 0.000 0.253 342 N C 0.209 175.756 175.510 0.061 0.000 1.145 342 N CA 0.323 53.359 53.050 -0.023 0.000 0.973 342 N CB 0.210 38.678 38.487 -0.031 0.000 1.305 342 N HN 0.413 nan 8.380 nan 0.000 0.506 343 A N 3.650 126.558 122.820 0.146 0.000 2.519 343 A HA -0.173 4.147 4.320 0.000 0.000 0.297 343 A C 0.062 177.754 177.584 0.181 0.000 1.472 343 A CA 0.575 52.724 52.037 0.187 0.000 0.739 343 A CB -1.456 17.617 19.000 0.121 0.000 1.096 343 A HN 0.591 nan 8.150 nan 0.000 0.414 344 M N 0.951 120.722 119.600 0.285 0.000 3.307 344 M HA 0.390 4.870 4.480 0.000 0.000 0.222 344 M C 0.738 177.220 176.300 0.303 0.000 1.243 344 M CA -0.122 55.310 55.300 0.220 0.000 1.270 344 M CB -1.587 31.068 32.600 0.092 0.000 1.187 344 M HN 1.352 nan 8.290 nan 0.000 0.598 345 I N -1.325 119.347 120.570 0.170 0.000 5.504 345 I HA -0.338 3.832 4.170 0.000 0.000 0.128 345 I C -0.668 175.400 176.117 -0.082 0.000 1.242 345 I CA 0.760 62.094 61.300 0.057 0.000 2.596 345 I CB -0.543 37.469 38.000 0.020 0.000 2.176 345 I HN 0.467 nan 8.210 nan 0.000 0.313 346 D N 1.623 121.913 120.400 -0.183 0.000 2.381 346 D HA 0.615 5.255 4.640 0.000 0.000 0.235 346 D C -0.729 175.406 176.300 -0.275 0.000 1.068 346 D CA -0.287 53.488 54.000 -0.375 0.000 0.832 346 D CB 1.559 42.178 40.800 -0.301 0.000 1.101 346 D HN 0.606 nan 8.370 nan 0.000 0.515 347 S N 0.549 116.040 115.700 -0.347 0.000 2.632 347 S HA 0.566 5.036 4.470 0.000 0.000 0.289 347 S C -0.496 174.040 174.600 -0.107 0.000 1.115 347 S CA -0.706 57.414 58.200 -0.133 0.000 0.889 347 S CB 2.328 65.564 63.200 0.060 0.000 1.116 347 S HN 0.172 nan 8.310 nan 0.000 0.486 348 V N 2.499 122.384 119.914 -0.047 0.000 2.376 348 V HA 0.344 4.464 4.120 0.000 0.000 0.287 348 V C -0.567 175.501 176.094 -0.044 0.000 1.015 348 V CA -0.490 61.789 62.300 -0.035 0.000 0.834 348 V CB 1.061 32.864 31.823 -0.034 0.000 1.001 348 V HN 0.710 nan 8.190 nan 0.000 0.428 349 L N 4.695 125.879 121.223 -0.066 0.000 2.451 349 L HA 0.147 4.487 4.340 0.000 0.000 0.272 349 L C 0.701 177.456 176.870 -0.191 0.000 1.258 349 L CA 0.189 54.935 54.840 -0.157 0.000 1.132 349 L CB -0.337 41.532 42.059 -0.318 0.000 1.361 349 L HN 0.632 nan 8.230 nan 0.000 0.438 350 T N 3.388 117.860 114.554 -0.136 0.000 3.182 350 T HA 0.174 4.524 4.350 0.000 0.000 0.274 350 T C 0.026 174.626 174.700 -0.166 0.000 0.997 350 T CA -0.266 61.721 62.100 -0.189 0.000 1.082 350 T CB -0.008 68.763 68.868 -0.162 0.000 1.005 350 T HN 0.140 nan 8.240 nan 0.000 0.688 351 L N 4.321 125.440 121.223 -0.173 0.000 2.281 351 L HA 0.323 4.663 4.340 0.000 0.000 0.285 351 L C -0.451 176.376 176.870 -0.072 0.000 1.074 351 L CA -0.045 54.743 54.840 -0.087 0.000 0.817 351 L CB 0.498 42.519 42.059 -0.064 0.000 1.168 351 L HN 0.407 nan 8.230 nan 0.000 0.434 352 D N 5.878 126.267 120.400 -0.018 0.000 2.446 352 D HA 0.252 4.892 4.640 0.000 0.000 0.251 352 D C -0.804 175.533 176.300 0.062 0.000 1.137 352 D CA -0.169 53.842 54.000 0.018 0.000 0.890 352 D CB 1.610 42.420 40.800 0.015 0.000 1.071 352 D HN 0.214 nan 8.370 nan 0.000 0.528 353 V N 0.750 120.723 119.914 0.099 0.000 2.394 353 V HA 0.649 4.769 4.120 0.000 0.000 0.282 353 V C 0.394 176.607 176.094 0.198 0.000 1.031 353 V CA -0.399 61.988 62.300 0.145 0.000 0.881 353 V CB 1.445 33.370 31.823 0.171 0.000 0.982 353 V HN 0.436 nan 8.190 nan 0.000 0.451 354 S N 2.527 118.327 115.700 0.167 0.000 2.547 354 S HA 0.742 5.212 4.470 0.000 0.000 0.270 354 S C 0.508 175.195 174.600 0.145 0.000 1.150 354 S CA 0.805 59.100 58.200 0.158 0.000 0.850 354 S CB 1.654 64.897 63.200 0.072 0.000 1.118 354 S HN 2.005 nan 8.310 nan 0.000 0.461 355 G N 2.033 110.920 108.800 0.145 0.000 5.045 355 G HA2 -0.255 3.705 3.960 0.000 0.000 0.229 355 G HA3 -0.255 3.705 3.960 0.000 0.000 0.229 355 G C 0.244 175.239 174.900 0.157 0.000 1.440 355 G CA 0.300 45.475 45.100 0.125 0.000 0.936 355 G HN 1.396 nan 8.290 nan 0.000 0.690 356 T N 1.705 116.341 114.554 0.137 0.000 2.751 356 T HA 0.400 4.750 4.350 0.000 0.000 0.279 356 T C 1.117 175.878 174.700 0.101 0.000 0.941 356 T CA 1.177 63.340 62.100 0.106 0.000 1.192 356 T CB 1.209 70.108 68.868 0.052 0.000 0.883 356 T HN 0.717 nan 8.240 nan 0.000 0.534 357 I N 3.611 124.250 120.570 0.116 0.000 4.228 357 I HA 0.318 4.488 4.170 0.000 0.000 0.298 357 I C -0.069 176.145 176.117 0.163 0.000 1.206 357 I CA -0.012 61.328 61.300 0.067 0.000 1.322 357 I CB 0.291 38.311 38.000 0.033 0.000 1.411 357 I HN 0.621 nan 8.210 nan 0.000 0.454 358 L N 2.895 124.200 121.223 0.136 0.000 3.642 358 L HA -0.173 4.167 4.340 0.000 0.000 0.613 358 L C -2.080 174.818 176.870 0.047 0.000 1.064 358 L CA -0.600 54.328 54.840 0.147 0.000 1.039 358 L CB -1.733 40.472 42.059 0.243 0.000 1.226 358 L HN 0.202 nan 8.230 nan 0.000 0.764 359 P HA -0.043 nan 4.420 nan 0.000 0.265 359 P C -0.086 177.113 177.300 -0.168 0.000 1.187 359 P CA 0.029 62.996 63.100 -0.221 0.000 0.766 359 P CB 0.350 31.974 31.700 -0.125 0.000 0.820 360 Y N 2.352 122.465 120.300 -0.311 0.000 2.846 360 Y HA -0.244 4.306 4.550 0.000 0.000 0.352 360 Y C 1.805 177.649 175.900 -0.094 0.000 1.298 360 Y CA -0.268 57.618 58.100 -0.355 0.000 1.634 360 Y CB -0.318 37.831 38.460 -0.519 0.000 1.214 360 Y HN 0.568 nan 8.280 nan 0.000 0.529 361 D N 1.246 121.785 120.400 0.231 0.000 2.509 361 D HA -0.367 4.273 4.640 0.000 0.000 0.589 361 D C 0.946 177.310 176.300 0.107 0.000 0.894 361 D CA 2.377 56.490 54.000 0.189 0.000 1.656 361 D CB -0.533 40.412 40.800 0.241 0.000 0.253 361 D HN 0.538 nan 8.370 nan 0.000 0.470 362 T N 0.355 114.963 114.554 0.089 0.000 3.751 362 T HA 0.211 4.561 4.350 0.000 0.000 0.240 362 T C -1.508 173.216 174.700 0.040 0.000 1.004 362 T CA -0.639 61.493 62.100 0.054 0.000 1.645 362 T CB -0.616 68.276 68.868 0.041 0.000 0.763 362 T HN 0.027 nan 8.240 nan 0.000 0.625 363 N N 3.742 122.468 118.700 0.044 0.000 2.372 363 N HA 0.425 5.165 4.740 0.000 0.000 0.291 363 N C -2.345 173.186 175.510 0.035 0.000 1.024 363 N CA -1.921 51.148 53.050 0.031 0.000 0.873 363 N CB 2.140 40.634 38.487 0.012 0.000 1.206 363 N HN 0.245 nan 8.380 nan 0.000 0.486 364 P HA 0.092 nan 4.420 nan 0.000 0.269 364 P C -0.686 176.629 177.300 0.025 0.000 1.601 364 P CA 0.396 63.506 63.100 0.016 0.000 0.831 364 P CB 0.020 31.727 31.700 0.011 0.000 1.688 365 D N -0.020 120.415 120.400 0.057 0.000 2.772 365 D HA 0.176 4.816 4.640 0.000 0.000 0.272 365 D C 1.466 177.803 176.300 0.060 0.000 1.314 365 D CA -0.172 53.889 54.000 0.103 0.000 0.835 365 D CB 0.573 41.454 40.800 0.134 0.000 1.080 365 D HN 0.208 nan 8.370 nan 0.000 0.482 366 L N 0.082 121.284 121.223 -0.035 0.000 2.102 366 L HA -0.015 4.325 4.340 0.000 0.000 0.202 366 L C 1.355 178.148 176.870 -0.128 0.000 1.076 366 L CA 0.528 55.288 54.840 -0.133 0.000 0.761 366 L CB -0.409 41.600 42.059 -0.083 0.000 0.921 366 L HN -0.031 nan 8.230 nan 0.000 0.444 367 S N -0.136 115.529 115.700 -0.058 0.000 2.562 367 S HA 0.200 4.670 4.470 0.000 0.000 0.281 367 S C 0.845 175.428 174.600 -0.028 0.000 1.333 367 S CA 0.172 58.351 58.200 -0.035 0.000 1.052 367 S CB 0.832 64.025 63.200 -0.012 0.000 0.884 367 S HN 0.527 nan 8.310 nan 0.000 0.506 368 T N -1.739 112.799 114.554 -0.026 0.000 5.686 368 T HA -0.197 4.153 4.350 0.000 0.000 0.270 368 T C 0.054 174.738 174.700 -0.026 0.000 2.203 368 T CA 0.508 62.600 62.100 -0.013 0.000 3.730 368 T CB -3.075 65.802 68.868 0.015 0.000 0.770 368 T HN 1.497 nan 8.240 nan 0.000 1.144 369 S N 1.108 116.750 115.700 -0.097 0.000 2.498 369 S HA 0.727 5.197 4.470 0.000 0.000 0.324 369 S C 0.210 174.692 174.600 -0.197 0.000 1.071 369 S CA -0.294 57.804 58.200 -0.169 0.000 1.113 369 S CB 1.854 64.775 63.200 -0.466 0.000 0.976 369 S HN 1.461 nan 8.310 nan 0.000 0.462 370 V N -0.395 119.432 119.914 -0.146 0.000 2.630 370 V HA 0.695 4.815 4.120 0.000 0.000 0.305 370 V C -3.135 172.854 176.094 -0.176 0.000 1.046 370 V CA -3.208 58.991 62.300 -0.168 0.000 0.934 370 V CB 0.994 32.764 31.823 -0.088 0.000 1.003 370 V HN 0.484 nan 8.190 nan 0.000 0.451 371 P HA 0.448 nan 4.420 nan 0.000 0.265 371 P C -0.427 176.822 177.300 -0.084 0.000 1.222 371 P CA 0.665 63.634 63.100 -0.218 0.000 0.767 371 P CB 0.631 32.122 31.700 -0.349 0.000 0.801 372 A N 3.922 126.706 122.820 -0.060 0.000 2.479 372 A HA 0.760 5.080 4.320 0.000 0.000 0.296 372 A C -1.617 176.011 177.584 0.074 0.000 1.121 372 A CA -0.617 51.424 52.037 0.007 0.000 0.743 372 A CB 1.122 20.096 19.000 -0.044 0.000 1.323 372 A HN 0.421 nan 8.150 nan 0.000 0.415 373 F N 1.472 121.416 119.950 -0.011 0.000 2.458 373 F HA 0.659 5.186 4.527 0.000 0.000 0.336 373 F C -0.977 174.840 175.800 0.028 0.000 1.114 373 F CA -0.530 57.477 58.000 0.011 0.000 0.987 373 F CB 1.739 40.753 39.000 0.023 0.000 1.130 373 F HN 0.325 nan 8.300 nan 0.000 0.458 374 V N 7.574 126.966 119.914 -0.870 0.000 2.444 374 V HA 0.350 4.470 4.120 0.000 0.000 0.294 374 V C -0.605 174.964 176.094 -0.875 0.000 1.022 374 V CA -0.813 61.105 62.300 -0.638 0.000 0.850 374 V CB 1.462 33.130 31.823 -0.259 0.000 0.992 374 V HN 0.719 nan 8.190 nan 0.000 0.426 375 L N 6.117 127.008 121.223 -0.554 0.000 2.350 375 L HA 0.578 4.918 4.340 0.000 0.000 0.275 375 L C -0.401 176.425 176.870 -0.075 0.000 1.099 375 L CA 0.371 55.076 54.840 -0.224 0.000 0.808 375 L CB 1.035 43.107 42.059 0.022 0.000 1.149 375 L HN 0.516 nan 8.230 nan 0.000 0.442 376 I N 4.202 124.795 120.570 0.038 0.000 2.362 376 I HA 0.338 4.508 4.170 0.000 0.000 0.289 376 I C -0.504 175.724 176.117 0.185 0.000 0.994 376 I CA -0.382 60.984 61.300 0.110 0.000 1.158 376 I CB 1.391 39.482 38.000 0.151 0.000 1.315 376 I HN 0.547 nan 8.210 nan 0.000 0.451 377 Q N 4.445 124.302 119.800 0.095 0.000 2.788 377 Q HA 0.346 4.686 4.340 0.000 0.000 0.261 377 Q C -0.569 175.424 176.000 -0.012 0.000 1.029 377 Q CA -0.230 55.585 55.803 0.019 0.000 0.848 377 Q CB 1.738 30.474 28.738 -0.004 0.000 1.185 377 Q HN 0.628 nan 8.270 nan 0.000 0.482 378 T N -1.008 113.556 114.554 0.016 0.000 2.886 378 T HA 0.250 4.600 4.350 0.000 0.000 0.292 378 T C 0.555 175.122 174.700 -0.221 0.000 1.012 378 T CA -0.476 61.612 62.100 -0.020 0.000 0.982 378 T CB 1.433 70.353 68.868 0.087 0.000 1.018 378 T HN 0.233 nan 8.240 nan 0.000 0.451 379 S N 2.340 117.856 115.700 -0.306 0.000 2.660 379 S HA 0.103 4.573 4.470 0.000 0.000 0.228 379 S C 0.466 175.121 174.600 0.091 0.000 0.966 379 S CA -0.036 57.902 58.200 -0.436 0.000 0.940 379 S CB -0.091 62.934 63.200 -0.291 0.000 0.773 379 S HN 0.553 nan 8.310 nan 0.000 0.535 380 V N 4.169 124.180 119.914 0.162 0.000 2.294 380 V HA 0.270 4.390 4.120 0.000 0.000 0.272 380 V C -2.531 173.758 176.094 0.325 0.000 1.027 380 V CA -2.340 60.096 62.300 0.227 0.000 0.823 380 V CB 0.921 32.811 31.823 0.111 0.000 1.030 380 V HN 0.046 nan 8.190 nan 0.000 0.457 381 P HA 0.063 nan 4.420 nan 0.000 0.260 381 P C 1.380 178.741 177.300 0.102 0.000 1.185 381 P CA 0.010 63.293 63.100 0.305 0.000 0.763 381 P CB 0.433 32.227 31.700 0.157 0.000 0.776 382 I N 2.407 122.927 120.570 -0.082 0.000 2.237 382 I HA -0.348 3.822 4.170 0.000 0.000 0.245 382 I C 1.813 177.980 176.117 0.084 0.000 1.013 382 I CA 2.130 63.346 61.300 -0.140 0.000 1.298 382 I CB -1.322 36.482 38.000 -0.326 0.000 0.995 382 I HN 0.462 nan 8.210 nan 0.000 0.422 383 Q N -0.205 119.629 119.800 0.056 0.000 2.364 383 Q HA -0.183 4.157 4.340 0.000 0.000 0.207 383 Q C 2.001 178.059 176.000 0.095 0.000 0.970 383 Q CA 0.968 56.813 55.803 0.069 0.000 0.888 383 Q CB -0.302 28.431 28.738 -0.008 0.000 0.951 383 Q HN 0.569 nan 8.270 nan 0.000 0.469 384 Q N -1.075 118.774 119.800 0.081 0.000 2.425 384 Q HA 0.088 4.428 4.340 0.000 0.000 0.204 384 Q C -0.243 175.793 176.000 0.059 0.000 0.933 384 Q CA 0.177 56.022 55.803 0.069 0.000 0.939 384 Q CB 0.688 29.465 28.738 0.064 0.000 1.044 384 Q HN 0.065 nan 8.270 nan 0.000 0.513 385 V N 2.178 122.126 119.914 0.058 0.000 2.276 385 V HA 0.070 4.190 4.120 0.000 0.000 0.249 385 V C 1.073 177.121 176.094 -0.076 0.000 1.160 385 V CA 0.681 62.967 62.300 -0.025 0.000 1.042 385 V CB -0.216 31.547 31.823 -0.100 0.000 1.224 385 V HN 0.397 nan 8.190 nan 0.000 0.496 386 T N -0.579 113.953 114.554 -0.037 0.000 3.023 386 T HA 0.108 4.458 4.350 0.000 0.000 0.249 386 T C 0.882 175.541 174.700 -0.067 0.000 1.050 386 T CA 0.649 62.724 62.100 -0.041 0.000 1.088 386 T CB 0.478 69.353 68.868 0.010 0.000 0.946 386 T HN 0.651 nan 8.240 nan 0.000 0.480 387 T N -1.843 112.675 114.554 -0.060 0.000 2.926 387 T HA 0.773 5.123 4.350 0.000 0.000 0.289 387 T C 1.588 176.248 174.700 -0.068 0.000 1.054 387 T CA -0.223 61.840 62.100 -0.061 0.000 1.015 387 T CB 1.478 70.322 68.868 -0.040 0.000 1.167 387 T HN 0.099 nan 8.240 nan 0.000 0.526 388 A N 0.788 123.570 122.820 -0.064 0.000 1.997 388 A HA 0.082 4.402 4.320 0.000 0.000 0.221 388 A C 2.607 180.166 177.584 -0.041 0.000 1.172 388 A CA 2.503 54.506 52.037 -0.056 0.000 0.645 388 A CB -1.650 17.320 19.000 -0.050 0.000 0.813 388 A HN 1.430 nan 8.150 nan 0.000 0.454 389 A N 0.568 123.368 122.820 -0.034 0.000 1.917 389 A HA -0.277 4.043 4.320 0.000 0.000 0.219 389 A C 1.803 179.377 177.584 -0.018 0.000 1.182 389 A CA 2.157 54.180 52.037 -0.023 0.000 0.633 389 A CB -0.852 18.138 19.000 -0.017 0.000 0.819 389 A HN 0.646 nan 8.150 nan 0.000 0.448 390 N N 0.684 119.371 118.700 -0.021 0.000 2.094 390 N HA -0.210 4.530 4.740 0.000 0.000 0.191 390 N C 1.473 176.977 175.510 -0.010 0.000 1.023 390 N CA 1.877 54.919 53.050 -0.013 0.000 0.857 390 N CB -0.856 37.621 38.487 -0.018 0.000 1.013 390 N HN 0.741 nan 8.380 nan 0.000 0.426 391 I N -1.930 118.625 120.570 -0.025 0.000 2.300 391 I HA -0.282 3.888 4.170 0.000 0.000 0.252 391 I C 1.139 177.257 176.117 0.001 0.000 1.119 391 I CA 1.279 62.567 61.300 -0.019 0.000 1.384 391 I CB -1.255 36.724 38.000 -0.035 0.000 1.062 391 I HN 0.094 nan 8.210 nan 0.000 0.426 392 T N -0.115 114.436 114.554 -0.005 0.000 13.467 392 T HA -0.363 3.987 4.350 0.000 0.000 0.419 392 T C 0.618 175.314 174.700 -0.006 0.000 1.441 392 T CA 2.263 64.358 62.100 -0.008 0.000 2.354 392 T CB -1.802 67.058 68.868 -0.014 0.000 2.797 392 T HN 1.206 nan 8.240 nan 0.000 0.557 393 A N 1.952 124.773 122.820 0.000 0.000 2.310 393 A HA 0.691 5.011 4.320 0.000 0.000 0.304 393 A C -0.172 177.416 177.584 0.007 0.000 1.231 393 A CA -0.744 51.295 52.037 0.004 0.000 0.799 393 A CB 0.212 19.214 19.000 0.004 0.000 1.162 393 A HN 0.799 nan 8.150 nan 0.000 0.486 394 I N 1.716 122.286 120.570 -0.001 0.000 2.281 394 I HA 0.475 4.645 4.170 0.000 0.000 0.293 394 I C 0.273 176.389 176.117 -0.003 0.000 1.085 394 I CA -0.260 61.036 61.300 -0.007 0.000 1.257 394 I CB 0.842 38.837 38.000 -0.009 0.000 1.430 394 I HN 0.412 nan 8.210 nan 0.000 0.489 395 T N 2.869 117.416 114.554 -0.012 0.000 2.770 395 T HA 0.496 4.846 4.350 0.000 0.000 0.297 395 T C 0.009 174.689 174.700 -0.033 0.000 0.997 395 T CA -0.775 61.325 62.100 -0.001 0.000 0.949 395 T CB 1.113 69.992 68.868 0.018 0.000 0.941 395 T HN 0.337 nan 8.240 nan 0.000 0.457 396 V N 5.217 125.128 119.914 -0.006 0.000 2.400 396 V HA 0.026 4.146 4.120 0.000 0.000 0.263 396 V C 1.363 177.476 176.094 0.032 0.000 1.026 396 V CA -0.080 62.216 62.300 -0.006 0.000 1.077 396 V CB -0.463 31.375 31.823 0.026 0.000 1.054 396 V HN 0.903 nan 8.190 nan 0.000 0.477 397 V N 3.369 123.312 119.914 0.049 0.000 2.581 397 V HA 0.049 4.169 4.120 0.000 0.000 0.240 397 V C 1.120 177.316 176.094 0.170 0.000 1.054 397 V CA 0.962 63.348 62.300 0.143 0.000 1.076 397 V CB 0.324 32.289 31.823 0.236 0.000 0.748 397 V HN 0.798 nan 8.190 nan 0.000 0.474 398 S N 0.410 116.244 115.700 0.223 0.000 2.328 398 S HA 0.728 5.198 4.470 0.000 0.000 0.204 398 S C 0.389 175.069 174.600 0.134 0.000 1.475 398 S CA 0.322 58.651 58.200 0.215 0.000 1.148 398 S CB 1.205 64.579 63.200 0.291 0.000 1.077 398 S HN 0.492 nan 8.310 nan 0.000 0.479 399 A N 1.356 124.227 122.820 0.086 0.000 2.295 399 A HA 0.798 5.118 4.320 0.000 0.000 0.193 399 A C 1.199 178.813 177.584 0.051 0.000 1.512 399 A CA 0.729 52.799 52.037 0.055 0.000 1.103 399 A CB -0.413 18.599 19.000 0.020 0.000 1.331 399 A HN 1.388 nan 8.150 nan 0.000 0.501 400 A N -0.464 122.385 122.820 0.049 0.000 5.218 400 A HA -0.046 4.274 4.320 0.000 0.000 0.318 400 A C 1.526 179.117 177.584 0.011 0.000 1.887 400 A CA 1.339 53.398 52.037 0.037 0.000 0.712 400 A CB -2.032 17.000 19.000 0.052 0.000 1.343 400 A HN 2.118 nan 8.150 nan 0.000 0.377 401 G N -0.320 108.488 108.800 0.013 0.000 2.494 401 G HA2 0.612 4.572 3.960 0.000 0.000 0.297 401 G HA3 0.612 4.572 3.960 0.000 0.000 0.297 401 G C 0.192 175.081 174.900 -0.017 0.000 0.971 401 G CA 1.055 46.149 45.100 -0.009 0.000 1.378 401 G HN 2.104 nan 8.290 nan 0.000 0.456 402 A N 2.936 125.725 122.820 -0.052 0.000 3.126 402 A HA 0.586 4.906 4.320 0.000 0.000 0.268 402 A C 1.213 178.753 177.584 -0.073 0.000 1.605 402 A CA 0.144 52.145 52.037 -0.059 0.000 1.305 402 A CB -0.211 18.751 19.000 -0.063 0.000 1.160 402 A HN 0.886 nan 8.150 nan 0.000 0.609 403 S N 0.089 115.763 115.700 -0.044 0.000 3.657 403 S HA 0.929 5.399 4.470 0.000 0.000 0.183 403 S C 0.336 174.925 174.600 -0.019 0.000 0.995 403 S CA 0.247 58.429 58.200 -0.030 0.000 1.333 403 S CB 0.356 63.539 63.200 -0.028 0.000 1.197 403 S HN 2.115 nan 8.310 nan 0.000 0.856 404 A N -0.243 122.575 122.820 -0.004 0.000 2.519 404 A HA 0.639 4.959 4.320 0.000 0.000 0.298 404 A C -2.112 175.486 177.584 0.024 0.000 0.963 404 A CA -0.256 51.788 52.037 0.012 0.000 0.624 404 A CB 0.008 18.996 19.000 -0.019 0.000 1.356 404 A HN 1.384 nan 8.150 nan 0.000 0.441 405 I N 0.033 120.637 120.570 0.056 0.000 2.775 405 I HA 0.505 4.675 4.170 0.000 0.000 0.295 405 I C -0.963 175.204 176.117 0.085 0.000 1.287 405 I CA -0.476 60.854 61.300 0.050 0.000 1.029 405 I CB 2.105 40.126 38.000 0.034 0.000 1.282 405 I HN 0.570 nan 8.210 nan 0.000 0.426 406 N N 6.723 125.454 118.700 0.051 0.000 2.736 406 N HA 0.141 4.881 4.740 0.000 0.000 0.307 406 N C 0.778 176.315 175.510 0.045 0.000 1.212 406 N CA 0.269 53.352 53.050 0.056 0.000 1.158 406 N CB -0.201 38.302 38.487 0.026 0.000 1.460 406 N HN 0.539 nan 8.380 nan 0.000 0.514 407 L N -0.274 120.991 121.223 0.070 0.000 2.395 407 L HA 0.089 4.429 4.340 0.000 0.000 0.218 407 L C 1.104 177.913 176.870 -0.102 0.000 1.130 407 L CA -0.081 54.711 54.840 -0.080 0.000 0.826 407 L CB -0.248 41.637 42.059 -0.290 0.000 0.941 407 L HN 0.374 nan 8.230 nan 0.000 0.451 408 A N 0.670 123.530 122.820 0.068 0.000 2.450 408 A HA 0.284 4.604 4.320 0.000 0.000 0.255 408 A C 0.335 177.935 177.584 0.027 0.000 1.096 408 A CA -0.370 51.714 52.037 0.077 0.000 0.778 408 A CB -0.265 18.821 19.000 0.143 0.000 1.031 408 A HN 0.216 nan 8.150 nan 0.000 0.494 409 I N 3.288 123.867 120.570 0.016 0.000 2.906 409 I HA -0.104 4.066 4.170 0.000 0.000 0.312 409 I C 1.079 177.207 176.117 0.018 0.000 1.169 409 I CA 0.477 61.781 61.300 0.008 0.000 2.267 409 I CB -0.973 37.029 38.000 0.003 0.000 1.624 409 I HN 0.739 nan 8.210 nan 0.000 1.067 410 N N 2.134 120.844 118.700 0.016 0.000 2.463 410 N HA -0.065 4.675 4.740 0.000 0.000 0.181 410 N C 1.785 177.303 175.510 0.013 0.000 1.078 410 N CA 0.154 53.215 53.050 0.018 0.000 0.902 410 N CB 0.299 38.796 38.487 0.017 0.000 0.970 410 N HN 0.361 nan 8.380 nan 0.000 0.451 411 V N 0.941 120.861 119.914 0.009 0.000 2.324 411 V HA -0.212 3.908 4.120 0.000 0.000 0.250 411 V C 1.232 177.332 176.094 0.009 0.000 1.060 411 V CA 1.670 63.974 62.300 0.007 0.000 1.042 411 V CB -0.267 31.558 31.823 0.004 0.000 0.650 411 V HN 0.273 nan 8.190 nan 0.000 0.450 412 R N -0.411 120.096 120.500 0.011 0.000 2.700 412 R HA 0.459 4.799 4.340 0.000 0.000 0.377 412 R C 1.226 177.535 176.300 0.016 0.000 1.130 412 R CA 0.561 56.668 56.100 0.012 0.000 1.055 412 R CB 0.417 30.723 30.300 0.011 0.000 1.387 412 R HN 0.461 nan 8.270 nan 0.000 0.580 413 G N -0.121 108.689 108.800 0.016 0.000 2.253 413 G HA2 -0.360 3.600 3.960 0.000 0.000 0.251 413 G HA3 -0.360 3.600 3.960 0.000 0.000 0.251 413 G C 0.050 174.966 174.900 0.025 0.000 0.998 413 G CA -0.118 44.994 45.100 0.020 0.000 0.621 413 G HN 0.395 nan 8.290 nan 0.000 0.524 414 Q N 1.360 121.176 119.800 0.026 0.000 2.364 414 Q HA 0.465 4.805 4.340 0.000 0.000 0.267 414 Q C -2.179 173.846 176.000 0.042 0.000 0.999 414 Q CA -0.435 55.388 55.803 0.034 0.000 0.886 414 Q CB 1.178 29.934 28.738 0.031 0.000 1.243 414 Q HN 0.350 nan 8.270 nan 0.000 0.415 415 P HA 0.282 nan 4.420 nan 0.000 0.199 415 P C -1.203 176.154 177.300 0.094 0.000 1.878 415 P CA -0.540 62.602 63.100 0.069 0.000 1.202 415 P CB 0.768 32.505 31.700 0.062 0.000 1.719 416 R N 2.176 122.732 120.500 0.094 0.000 2.371 416 R HA 0.331 4.671 4.340 0.000 0.000 0.312 416 R C -0.373 176.003 176.300 0.127 0.000 0.980 416 R CA -1.104 55.058 56.100 0.103 0.000 0.867 416 R CB 0.348 30.685 30.300 0.061 0.000 1.163 416 R HN 0.315 nan 8.270 nan 0.000 0.492 417 F N 3.191 123.151 119.950 0.017 0.000 2.477 417 F HA -0.153 4.374 4.527 0.000 0.000 0.392 417 F C 1.362 177.172 175.800 0.017 0.000 1.028 417 F CA 0.488 58.498 58.000 0.016 0.000 1.069 417 F CB 0.046 39.059 39.000 0.021 0.000 0.970 417 F HN 0.549 nan 8.300 nan 0.000 0.540 418 N N 6.048 124.305 118.700 -0.738 0.000 2.236 418 N HA -0.137 4.603 4.740 0.000 0.000 0.238 418 N C 0.150 175.350 175.510 -0.517 0.000 1.244 418 N CA -0.302 52.378 53.050 -0.617 0.000 0.848 418 N CB 0.464 38.614 38.487 -0.561 0.000 1.094 418 N HN 0.628 nan 8.380 nan 0.000 0.448 419 M N 2.539 122.010 119.600 -0.214 0.000 2.435 419 M HA 0.180 4.660 4.480 0.000 0.000 0.338 419 M C -1.079 175.206 176.300 -0.026 0.000 1.628 419 M CA -0.232 55.029 55.300 -0.064 0.000 1.215 419 M CB 0.129 32.722 32.600 -0.011 0.000 1.905 419 M HN 0.371 nan 8.290 nan 0.000 0.457 420 L N 4.119 125.398 121.223 0.094 0.000 2.334 420 L HA 0.363 4.703 4.340 0.000 0.000 0.277 420 L C -0.729 176.246 176.870 0.175 0.000 1.075 420 L CA 0.036 54.980 54.840 0.174 0.000 0.804 420 L CB 1.052 43.307 42.059 0.327 0.000 1.174 420 L HN 0.727 nan 8.230 nan 0.000 0.438 421 H N 4.189 123.299 119.070 0.066 0.000 2.661 421 H HA 0.486 5.042 4.556 0.000 0.000 0.290 421 H C -1.053 174.307 175.328 0.054 0.000 1.082 421 H CA -0.433 55.645 56.048 0.050 0.000 1.234 421 H CB 0.443 30.223 29.762 0.029 0.000 1.387 421 H HN 0.543 nan 8.280 nan 0.000 0.476 422 L N 3.927 125.123 121.223 -0.044 0.000 2.357 422 L HA 0.373 4.713 4.340 0.000 0.000 0.273 422 L C -0.273 176.535 176.870 -0.104 0.000 1.080 422 L CA -0.735 54.096 54.840 -0.015 0.000 0.803 422 L CB 1.282 43.362 42.059 0.034 0.000 1.174 422 L HN 0.571 nan 8.230 nan 0.000 0.443 423 Q N 2.292 122.078 119.800 -0.023 0.000 2.304 423 Q HA 0.542 4.882 4.340 0.000 0.000 0.270 423 Q C -1.128 174.871 176.000 -0.002 0.000 1.035 423 Q CA -0.478 55.304 55.803 -0.035 0.000 0.781 423 Q CB 2.382 31.138 28.738 0.030 0.000 1.261 423 Q HN 0.669 nan 8.270 nan 0.000 0.444 424 A N 1.863 124.642 122.820 -0.068 0.000 2.536 424 A HA 0.377 4.697 4.320 0.000 0.000 0.329 424 A C 0.377 177.977 177.584 0.028 0.000 1.321 424 A CA -0.715 51.320 52.037 -0.003 0.000 0.804 424 A CB -0.001 18.922 19.000 -0.129 0.000 1.126 424 A HN 0.638 nan 8.150 nan 0.000 0.480 425 T N 0.621 115.201 114.554 0.043 0.000 3.235 425 T HA -0.054 4.296 4.350 0.000 0.000 0.211 425 T C 0.052 174.766 174.700 0.024 0.000 0.983 425 T CA 0.014 62.126 62.100 0.019 0.000 2.783 425 T CB -1.233 67.640 68.868 0.007 0.000 1.023 425 T HN 0.515 nan 8.240 nan 0.000 0.506 426 F N 3.507 123.444 119.950 -0.021 0.000 2.616 426 F HA 0.210 4.737 4.527 0.000 0.000 0.331 426 F C 0.031 175.824 175.800 -0.013 0.000 1.309 426 F CA -1.264 56.730 58.000 -0.011 0.000 1.068 426 F CB -0.743 38.236 39.000 -0.034 0.000 1.464 426 F HN 0.411 nan 8.300 nan 0.000 0.667 427 E N 6.227 126.194 120.200 -0.389 0.000 2.101 427 E HA 0.102 4.452 4.350 0.000 0.000 0.260 427 E C 1.269 177.765 176.600 -0.173 0.000 0.897 427 E CA -0.325 55.867 56.400 -0.346 0.000 0.744 427 E CB 0.730 30.330 29.700 -0.166 0.000 1.140 427 E HN 0.708 nan 8.360 nan 0.000 0.419 428 R N 1.925 122.276 120.500 -0.248 0.000 2.211 428 R HA -0.187 4.153 4.340 0.000 0.000 0.240 428 R C 0.670 176.989 176.300 0.031 0.000 1.144 428 R CA 1.395 57.521 56.100 0.044 0.000 0.992 428 R CB -0.068 30.312 30.300 0.134 0.000 0.869 428 R HN 0.206 nan 8.270 nan 0.000 0.462 429 E N 0.882 121.069 120.200 -0.022 0.000 2.153 429 E HA -0.102 4.248 4.350 0.000 0.000 0.194 429 E C 1.808 178.410 176.600 0.004 0.000 0.988 429 E CA 1.911 58.306 56.400 -0.009 0.000 0.811 429 E CB -0.159 29.526 29.700 -0.026 0.000 0.746 429 E HN 0.376 nan 8.360 nan 0.000 0.466 430 T N 0.617 115.174 114.554 0.005 0.000 2.685 430 T HA -0.189 4.161 4.350 0.000 0.000 0.268 430 T C 1.722 176.440 174.700 0.031 0.000 1.034 430 T CA 1.546 63.658 62.100 0.022 0.000 1.149 430 T CB -0.180 68.707 68.868 0.031 0.000 0.860 430 T HN 0.151 nan 8.240 nan 0.000 0.449 431 I N 0.124 120.720 120.570 0.044 0.000 3.616 431 I HA 0.100 4.270 4.170 0.000 0.000 0.296 431 I C 0.962 177.096 176.117 0.027 0.000 1.226 431 I CA 0.373 61.695 61.300 0.036 0.000 1.394 431 I CB -0.286 37.741 38.000 0.044 0.000 1.171 431 I HN 0.192 nan 8.210 nan 0.000 0.442 432 T N 0.037 114.613 114.554 0.037 0.000 3.882 432 T HA -0.132 4.218 4.350 0.000 0.000 0.366 432 T C 0.889 175.612 174.700 0.039 0.000 0.760 432 T CA 0.263 62.384 62.100 0.035 0.000 1.931 432 T CB -2.598 66.284 68.868 0.023 0.000 1.807 432 T HN 1.342 nan 8.240 nan 0.000 0.790 433 G N 1.527 110.357 108.800 0.051 0.000 2.575 433 G HA2 -0.096 3.864 3.960 0.000 0.000 0.267 433 G HA3 -0.096 3.864 3.960 0.000 0.000 0.267 433 G C 0.700 175.606 174.900 0.010 0.000 1.264 433 G CA 0.517 45.647 45.100 0.050 0.000 0.935 433 G HN 1.779 nan 8.290 nan 0.000 0.568 434 I N -2.651 117.941 120.570 0.037 0.000 4.519 434 I HA -0.233 3.937 4.170 0.000 0.000 0.056 434 I C -1.566 174.416 176.117 -0.224 0.000 0.610 434 I CA 2.005 63.294 61.300 -0.017 0.000 0.951 434 I CB -1.926 36.071 38.000 -0.006 0.000 0.858 434 I HN 0.738 nan 8.210 nan 0.000 0.164 435 P HA 0.262 nan 4.420 nan 0.000 0.219 435 P C -0.733 176.244 177.300 -0.539 0.000 1.847 435 P CA -0.123 62.696 63.100 -0.468 0.000 1.110 435 P CB -0.595 30.961 31.700 -0.240 0.000 1.839 436 Y N 1.050 121.265 120.300 -0.140 0.000 3.073 436 Y HA -0.066 4.484 4.550 0.000 0.000 0.343 436 Y C 1.095 176.575 175.900 -0.701 0.000 1.274 436 Y CA -0.389 57.513 58.100 -0.330 0.000 1.554 436 Y CB -0.590 37.678 38.460 -0.321 0.000 1.250 436 Y HN 0.152 nan 8.280 nan 0.000 0.622 437 I N 4.249 124.546 120.570 -0.456 0.000 2.325 437 I HA 0.251 4.421 4.170 0.000 0.000 0.291 437 I C -0.541 175.302 176.117 -0.457 0.000 1.019 437 I CA -0.201 60.871 61.300 -0.381 0.000 1.302 437 I CB -0.120 37.806 38.000 -0.122 0.000 1.401 437 I HN 0.460 nan 8.210 nan 0.000 0.485 438 Y N 3.772 124.104 120.300 0.053 0.000 2.602 438 Y HA 0.913 5.463 4.550 0.000 0.000 0.342 438 Y C 0.571 176.495 175.900 0.040 0.000 1.029 438 Y CA -1.322 56.807 58.100 0.047 0.000 1.080 438 Y CB 2.174 40.661 38.460 0.045 0.000 1.284 438 Y HN 0.558 nan 8.280 nan 0.000 0.485 439 G N 0.666 109.605 108.800 0.231 0.000 2.703 439 G HA2 0.554 4.514 3.960 0.000 0.000 0.294 439 G HA3 0.554 4.514 3.960 0.000 0.000 0.294 439 G C -2.627 172.310 174.900 0.063 0.000 1.451 439 G CA -0.638 44.496 45.100 0.057 0.000 0.869 439 G HN 0.553 nan 8.290 nan 0.000 0.516 440 L N 0.378 121.501 121.223 -0.166 0.000 2.303 440 L HA 0.986 5.326 4.340 0.000 0.000 0.256 440 L C 0.273 177.132 176.870 -0.017 0.000 1.034 440 L CA -0.461 54.352 54.840 -0.045 0.000 0.832 440 L CB 2.368 44.386 42.059 -0.069 0.000 1.403 440 L HN 0.917 nan 8.230 nan 0.000 0.419 441 G N -0.117 108.705 108.800 0.038 0.000 2.470 441 G HA2 0.611 4.571 3.960 0.000 0.000 0.320 441 G HA3 0.611 4.571 3.960 0.000 0.000 0.320 441 G C -1.322 173.536 174.900 -0.069 0.000 1.245 441 G CA -0.268 44.853 45.100 0.035 0.000 0.935 441 G HN 0.669 nan 8.290 nan 0.000 0.476 442 T N 0.921 115.409 114.554 -0.110 0.000 3.128 442 T HA 0.333 4.683 4.350 0.000 0.000 0.363 442 T C -0.806 173.799 174.700 -0.158 0.000 1.610 442 T CA -0.688 61.300 62.100 -0.187 0.000 1.126 442 T CB 0.266 69.154 68.868 0.034 0.000 1.416 442 T HN 0.968 nan 8.240 nan 0.000 0.480 443 F N 4.420 124.301 119.950 -0.114 0.000 2.583 443 F HA 0.402 4.928 4.527 0.000 0.000 0.330 443 F C -0.055 175.476 175.800 -0.448 0.000 1.298 443 F CA -1.289 56.581 58.000 -0.216 0.000 1.099 443 F CB -1.433 37.460 39.000 -0.178 0.000 1.540 443 F HN 0.375 nan 8.300 nan 0.000 0.673 444 L N 4.259 125.247 121.223 -0.392 0.000 2.326 444 L HA 0.577 4.917 4.340 0.000 0.000 0.278 444 L C -0.517 176.130 176.870 -0.372 0.000 1.092 444 L CA -0.538 53.779 54.840 -0.872 0.000 0.810 444 L CB 1.063 42.848 42.059 -0.455 0.000 1.153 444 L HN 0.668 nan 8.230 nan 0.000 0.439 445 I N 5.869 126.318 120.570 -0.202 0.000 2.569 445 I HA 0.426 4.596 4.170 0.000 0.000 0.296 445 I C -2.014 174.187 176.117 0.141 0.000 1.028 445 I CA -2.325 59.019 61.300 0.074 0.000 1.082 445 I CB 2.680 40.805 38.000 0.208 0.000 1.264 445 I HN 0.528 nan 8.210 nan 0.000 0.429 446 P HA -0.055 nan 4.420 nan 0.000 0.215 446 P C 0.095 177.469 177.300 0.124 0.000 1.157 446 P CA 0.615 63.808 63.100 0.154 0.000 0.856 446 P CB 0.190 31.981 31.700 0.151 0.000 0.786 447 S N 0.952 116.710 115.700 0.096 0.000 2.481 447 S HA 0.149 4.619 4.470 0.000 0.000 0.282 447 S C -2.321 172.311 174.600 0.053 0.000 1.243 447 S CA -1.360 56.882 58.200 0.070 0.000 1.078 447 S CB -0.775 62.458 63.200 0.056 0.000 0.916 447 S HN -0.129 nan 8.310 nan 0.000 0.495 448 P HA 0.084 nan 4.420 nan 0.000 0.264 448 P C -0.499 176.769 177.300 -0.054 0.000 1.193 448 P CA 0.014 63.112 63.100 -0.003 0.000 0.763 448 P CB 0.340 32.035 31.700 -0.009 0.000 0.810 449 T N -0.602 113.883 114.554 -0.115 0.000 2.795 449 T HA 0.283 4.633 4.350 0.000 0.000 0.282 449 T C 0.279 174.875 174.700 -0.173 0.000 0.980 449 T CA -0.794 61.162 62.100 -0.240 0.000 1.012 449 T CB 0.614 69.167 68.868 -0.524 0.000 0.936 449 T HN 0.146 nan 8.240 nan 0.000 0.457 450 S N 2.880 118.495 115.700 -0.143 0.000 2.670 450 S HA 0.089 4.559 4.470 0.000 0.000 0.328 450 S C 1.709 176.288 174.600 -0.034 0.000 1.179 450 S CA -0.200 57.958 58.200 -0.070 0.000 1.194 450 S CB -0.745 62.431 63.200 -0.040 0.000 1.359 450 S HN 0.857 nan 8.310 nan 0.000 0.555 451 S N 4.085 119.759 115.700 -0.043 0.000 2.389 451 S HA -0.192 4.278 4.470 0.000 0.000 0.231 451 S C 2.217 176.807 174.600 -0.017 0.000 1.052 451 S CA 2.366 60.549 58.200 -0.028 0.000 1.053 451 S CB -0.611 62.555 63.200 -0.057 0.000 0.886 451 S HN 0.996 nan 8.310 nan 0.000 0.456 452 S N 1.816 117.506 115.700 -0.017 0.000 2.348 452 S HA -0.143 4.327 4.470 0.000 0.000 0.221 452 S C 1.643 176.245 174.600 0.004 0.000 1.033 452 S CA 1.448 59.640 58.200 -0.012 0.000 1.010 452 S CB -1.113 62.079 63.200 -0.013 0.000 0.891 452 S HN 0.650 nan 8.310 nan 0.000 0.442 453 N N 1.912 120.623 118.700 0.018 0.000 2.000 453 N HA -0.058 4.682 4.740 0.000 0.000 0.198 453 N C 0.591 176.165 175.510 0.106 0.000 1.057 453 N CA 1.381 54.461 53.050 0.049 0.000 0.858 453 N CB -0.834 37.677 38.487 0.040 0.000 1.057 453 N HN 0.561 nan 8.380 nan 0.000 0.423 454 F N 1.959 121.857 119.950 -0.087 0.000 2.626 454 F HA 0.230 4.757 4.527 0.000 0.000 0.353 454 F C 1.213 176.970 175.800 -0.072 0.000 1.230 454 F CA -0.866 57.081 58.000 -0.088 0.000 1.298 454 F CB -0.367 38.519 39.000 -0.189 0.000 1.670 454 F HN 0.064 nan 8.300 nan 0.000 0.633 455 S N 1.298 116.918 115.700 -0.134 0.000 2.420 455 S HA -0.275 4.195 4.470 0.000 0.000 0.237 455 S C 1.036 175.418 174.600 -0.363 0.000 1.023 455 S CA 0.755 58.828 58.200 -0.211 0.000 0.991 455 S CB -0.787 62.348 63.200 -0.107 0.000 0.792 455 S HN 0.767 nan 8.310 nan 0.000 0.488 456 N N 3.362 121.716 118.700 -0.577 0.000 2.440 456 N HA 0.039 4.779 4.740 0.000 0.000 0.265 456 N C -1.324 173.769 175.510 -0.696 0.000 1.239 456 N CA -1.270 51.427 53.050 -0.587 0.000 0.909 456 N CB 1.125 39.272 38.487 -0.568 0.000 1.066 456 N HN 0.134 nan 8.380 nan 0.000 0.474 457 P HA -0.078 nan 4.420 nan 0.000 0.205 457 P C 0.306 177.654 177.300 0.081 0.000 1.193 457 P CA 1.351 64.387 63.100 -0.107 0.000 0.929 457 P CB 0.146 31.820 31.700 -0.043 0.000 0.772 458 T N -2.311 112.301 114.554 0.097 0.000 3.168 458 T HA 0.329 4.679 4.350 0.000 0.000 0.373 458 T C -1.242 173.415 174.700 -0.071 0.000 1.681 458 T CA -0.620 61.592 62.100 0.187 0.000 1.135 458 T CB -0.187 68.771 68.868 0.151 0.000 1.477 458 T HN -0.113 nan 8.240 nan 0.000 0.480 459 L N 3.994 125.119 121.223 -0.164 0.000 3.108 459 L HA 0.470 4.810 4.340 0.000 0.000 0.251 459 L C 0.994 177.685 176.870 -0.299 0.000 1.315 459 L CA -0.249 54.475 54.840 -0.193 0.000 1.048 459 L CB 0.306 42.397 42.059 0.053 0.000 1.432 459 L HN 0.553 nan 8.230 nan 0.000 0.543 460 M N 1.757 121.049 119.600 -0.513 0.000 3.011 460 M HA 0.096 4.576 4.480 0.000 0.000 0.292 460 M C -0.646 175.544 176.300 -0.184 0.000 1.440 460 M CA 0.480 55.539 55.300 -0.401 0.000 1.552 460 M CB -0.144 32.147 32.600 -0.514 0.000 1.187 460 M HN 0.226 nan 8.290 nan 0.000 0.520 461 D N 3.296 123.622 120.400 -0.122 0.000 2.518 461 D HA 0.308 4.948 4.640 0.000 0.000 0.230 461 D C 0.315 176.605 176.300 -0.017 0.000 1.138 461 D CA 0.058 54.014 54.000 -0.072 0.000 0.964 461 D CB 1.166 41.901 40.800 -0.108 0.000 1.011 461 D HN 0.726 nan 8.370 nan 0.000 0.517 462 G N 0.878 109.681 108.800 0.005 0.000 3.407 462 G HA2 0.437 4.397 3.960 0.000 0.000 0.187 462 G HA3 0.437 4.397 3.960 0.000 0.000 0.187 462 G C -0.761 174.170 174.900 0.053 0.000 1.262 462 G CA -0.208 44.915 45.100 0.038 0.000 0.808 462 G HN 0.303 nan 8.290 nan 0.000 0.687 463 L N -0.439 120.819 121.223 0.059 0.000 2.330 463 L HA 0.835 5.175 4.340 0.000 0.000 0.271 463 L C -1.425 175.490 176.870 0.076 0.000 1.013 463 L CA -0.834 54.048 54.840 0.070 0.000 0.816 463 L CB 2.076 44.169 42.059 0.057 0.000 1.287 463 L HN 0.319 nan 8.230 nan 0.000 0.435 464 L N 3.092 124.390 121.223 0.125 0.000 2.454 464 L HA 0.473 4.813 4.340 0.000 0.000 0.258 464 L C -0.788 176.214 176.870 0.221 0.000 1.025 464 L CA 0.164 55.095 54.840 0.151 0.000 0.901 464 L CB 1.192 43.370 42.059 0.200 0.000 1.210 464 L HN 0.634 nan 8.230 nan 0.000 0.457 465 T N 3.861 118.477 114.554 0.103 0.000 2.997 465 T HA 0.282 4.632 4.350 0.000 0.000 0.311 465 T C 0.209 174.954 174.700 0.074 0.000 1.079 465 T CA -0.248 61.906 62.100 0.090 0.000 0.982 465 T CB 0.275 69.154 68.868 0.017 0.000 1.032 465 T HN 0.251 nan 8.240 nan 0.000 0.581 466 V N 4.718 124.724 119.914 0.152 0.000 2.458 466 V HA 0.018 4.138 4.120 0.000 0.000 0.287 466 V C 1.098 177.204 176.094 0.020 0.000 1.009 466 V CA 0.235 62.547 62.300 0.021 0.000 1.091 466 V CB 0.072 31.802 31.823 -0.155 0.000 0.960 466 V HN 0.813 nan 8.190 nan 0.000 0.476 467 T N 9.091 123.636 114.554 -0.016 0.000 3.364 467 T HA 0.174 4.524 4.350 0.000 0.000 0.323 467 T C -2.011 172.669 174.700 -0.033 0.000 1.323 467 T CA -0.865 61.225 62.100 -0.017 0.000 1.073 467 T CB 0.222 69.082 68.868 -0.013 0.000 1.150 467 T HN 0.575 nan 8.240 nan 0.000 0.727 468 P HA 0.065 nan 4.420 nan 0.000 0.244 468 P C 1.478 178.756 177.300 -0.036 0.000 1.723 468 P CA -0.150 62.924 63.100 -0.043 0.000 1.110 468 P CB -0.194 31.488 31.700 -0.031 0.000 1.972 469 V N 1.193 121.077 119.914 -0.051 0.000 2.317 469 V HA -0.214 3.906 4.120 0.000 0.000 0.251 469 V C 1.339 177.409 176.094 -0.041 0.000 1.065 469 V CA 1.317 63.589 62.300 -0.046 0.000 1.049 469 V CB -1.457 30.331 31.823 -0.059 0.000 0.651 469 V HN 0.199 nan 8.190 nan 0.000 0.450 470 L N 0.726 121.916 121.223 -0.054 0.000 2.387 470 L HA 0.376 4.716 4.340 0.000 0.000 0.267 470 L C 1.019 177.878 176.870 -0.019 0.000 1.197 470 L CA 0.185 54.999 54.840 -0.042 0.000 1.070 470 L CB 0.301 42.321 42.059 -0.064 0.000 1.349 470 L HN 0.151 nan 8.230 nan 0.000 0.422 471 L N 2.176 123.395 121.223 -0.007 0.000 2.450 471 L HA -0.038 4.302 4.340 0.000 0.000 0.224 471 L C 1.086 177.968 176.870 0.019 0.000 1.149 471 L CA 0.799 55.646 54.840 0.012 0.000 0.816 471 L CB -0.591 41.476 42.059 0.014 0.000 0.932 471 L HN 0.413 nan 8.230 nan 0.000 0.449 472 R N 1.668 122.173 120.500 0.008 0.000 2.343 472 R HA 0.074 4.414 4.340 0.000 0.000 0.326 472 R C -0.053 176.257 176.300 0.017 0.000 1.055 472 R CA 0.079 56.186 56.100 0.012 0.000 0.961 472 R CB -0.746 29.556 30.300 0.003 0.000 0.978 472 R HN 0.242 nan 8.270 nan 0.000 0.443 473 E N 1.324 121.543 120.200 0.032 0.000 5.193 473 E HA -0.133 4.217 4.350 0.000 0.000 0.181 473 E C -1.196 175.432 176.600 0.047 0.000 1.240 473 E CA 0.191 56.614 56.400 0.037 0.000 1.194 473 E CB -0.457 29.260 29.700 0.027 0.000 1.015 473 E HN 0.698 nan 8.360 nan 0.000 0.369 474 T N 1.627 116.220 114.554 0.066 0.000 2.851 474 T HA 0.323 4.673 4.350 0.000 0.000 0.298 474 T C 0.531 175.278 174.700 0.080 0.000 0.977 474 T CA -0.162 61.982 62.100 0.073 0.000 1.126 474 T CB 1.365 70.292 68.868 0.098 0.000 0.916 474 T HN 0.271 nan 8.240 nan 0.000 0.529 475 T N 3.308 117.907 114.554 0.075 0.000 2.853 475 T HA 0.072 4.422 4.350 0.000 0.000 0.298 475 T C -0.500 174.279 174.700 0.131 0.000 0.978 475 T CA -0.032 62.123 62.100 0.093 0.000 1.152 475 T CB -0.304 68.604 68.868 0.067 0.000 0.914 475 T HN 0.653 nan 8.240 nan 0.000 0.539 476 Y N 4.313 124.614 120.300 0.000 0.000 2.676 476 Y HA 0.249 4.799 4.550 0.000 0.000 0.338 476 Y C 0.404 176.309 175.900 0.008 0.000 1.057 476 Y CA -0.820 57.275 58.100 -0.008 0.000 1.314 476 Y CB -0.258 38.189 38.460 -0.023 0.000 1.164 476 Y HN 0.706 nan 8.280 nan 0.000 0.509 477 K N 4.414 124.766 120.400 -0.080 0.000 4.387 477 K HA -0.238 4.082 4.320 0.000 0.000 0.290 477 K C 1.017 177.642 176.600 0.041 0.000 0.936 477 K CA 0.650 56.887 56.287 -0.083 0.000 0.890 477 K CB -1.696 30.663 32.500 -0.236 0.000 1.617 477 K HN 1.157 nan 8.250 nan 0.000 0.437 478 G N 0.743 109.584 108.800 0.069 0.000 2.382 478 G HA2 -0.390 3.570 3.960 0.000 0.000 0.259 478 G HA3 -0.390 3.570 3.960 0.000 0.000 0.259 478 G C 0.001 174.957 174.900 0.094 0.000 1.009 478 G CA 0.899 46.052 45.100 0.088 0.000 0.625 478 G HN 0.609 nan 8.290 nan 0.000 0.541 479 E N 0.931 121.204 120.200 0.121 0.000 1.932 479 E HA 0.391 4.741 4.350 0.000 0.000 0.275 479 E C 0.361 177.026 176.600 0.107 0.000 1.159 479 E CA -0.507 55.965 56.400 0.121 0.000 0.905 479 E CB 1.187 30.989 29.700 0.170 0.000 1.059 479 E HN 0.163 nan 8.360 nan 0.000 0.400 480 V N 4.887 124.848 119.914 0.079 0.000 2.399 480 V HA -0.036 4.084 4.120 0.000 0.000 0.245 480 V C 0.222 176.345 176.094 0.049 0.000 1.089 480 V CA 0.341 62.680 62.300 0.064 0.000 1.196 480 V CB -0.327 31.530 31.823 0.057 0.000 1.221 480 V HN 0.335 nan 8.190 nan 0.000 0.482 481 V N 3.725 123.669 119.914 0.051 0.000 2.715 481 V HA 0.392 4.512 4.120 0.000 0.000 0.310 481 V C 0.861 176.969 176.094 0.024 0.000 1.054 481 V CA -0.575 61.740 62.300 0.025 0.000 0.928 481 V CB 2.285 34.106 31.823 -0.003 0.000 1.007 481 V HN 0.742 nan 8.190 nan 0.000 0.437 482 D N 3.990 124.397 120.400 0.012 0.000 2.348 482 D HA 0.145 4.785 4.640 0.000 0.000 0.248 482 D C 0.242 176.552 176.300 0.016 0.000 1.142 482 D CA 0.609 54.619 54.000 0.017 0.000 0.904 482 D CB 0.448 41.256 40.800 0.013 0.000 0.901 482 D HN 0.557 nan 8.370 nan 0.000 0.523 483 A N 0.810 123.628 122.820 -0.003 0.000 2.356 483 A HA 0.547 4.867 4.320 0.000 0.000 0.310 483 A C -0.704 176.861 177.584 -0.031 0.000 1.075 483 A CA -0.574 51.444 52.037 -0.032 0.000 0.746 483 A CB 1.556 20.494 19.000 -0.104 0.000 1.221 483 A HN -0.009 nan 8.150 nan 0.000 0.443 484 I N 3.749 124.304 120.570 -0.024 0.000 2.411 484 I HA 0.323 4.493 4.170 0.000 0.000 0.284 484 I C -0.119 175.894 176.117 -0.173 0.000 1.012 484 I CA -0.713 60.520 61.300 -0.113 0.000 1.119 484 I CB 1.183 39.021 38.000 -0.270 0.000 1.261 484 I HN 0.459 nan 8.210 nan 0.000 0.448 485 V N 6.081 125.919 119.914 -0.127 0.000 2.250 485 V HA 0.423 4.543 4.120 0.000 0.000 0.268 485 V C -2.190 173.907 176.094 0.006 0.000 1.043 485 V CA -1.611 60.635 62.300 -0.090 0.000 0.814 485 V CB 1.092 32.827 31.823 -0.146 0.000 1.072 485 V HN 0.327 nan 8.190 nan 0.000 0.451 486 P HA -0.151 nan 4.420 nan 0.000 0.213 486 P C 1.941 179.254 177.300 0.021 0.000 1.170 486 P CA 2.808 65.880 63.100 -0.047 0.000 0.902 486 P CB 0.223 31.911 31.700 -0.020 0.000 0.789 487 A N -0.703 122.131 122.820 0.023 0.000 2.032 487 A HA -0.207 4.113 4.320 0.000 0.000 0.221 487 A C 2.086 179.694 177.584 0.039 0.000 1.165 487 A CA 2.553 54.605 52.037 0.025 0.000 0.645 487 A CB -1.923 17.087 19.000 0.016 0.000 0.807 487 A HN 0.388 nan 8.150 nan 0.000 0.453 488 T N -3.105 111.492 114.554 0.071 0.000 3.067 488 T HA 0.053 4.403 4.350 0.000 0.000 0.257 488 T C 1.556 176.342 174.700 0.143 0.000 1.105 488 T CA 0.904 63.069 62.100 0.109 0.000 1.104 488 T CB -0.385 68.568 68.868 0.141 0.000 0.925 488 T HN 0.100 nan 8.240 nan 0.000 0.498 489 V N 0.906 120.901 119.914 0.135 0.000 2.469 489 V HA -0.023 4.097 4.120 0.000 0.000 0.251 489 V C 1.587 177.673 176.094 -0.014 0.000 1.064 489 V CA 0.763 63.067 62.300 0.006 0.000 1.066 489 V CB -1.070 30.728 31.823 -0.040 0.000 0.667 489 V HN 0.499 nan 8.190 nan 0.000 0.461 490 M N 0.670 120.276 119.600 0.010 0.000 2.240 490 M HA 0.260 4.740 4.480 0.000 0.000 0.346 490 M C 1.023 177.325 176.300 0.003 0.000 1.236 490 M CA 0.818 56.122 55.300 0.006 0.000 0.986 490 M CB -0.505 32.100 32.600 0.008 0.000 1.786 490 M HN 0.517 nan 8.290 nan 0.000 0.457 491 A N 3.751 126.571 122.820 -0.000 0.000 2.799 491 A HA -0.238 4.082 4.320 0.000 0.000 0.274 491 A C 0.546 178.126 177.584 -0.006 0.000 1.393 491 A CA 1.636 53.672 52.037 -0.001 0.000 0.909 491 A CB -2.421 16.580 19.000 0.002 0.000 1.012 491 A HN 0.912 nan 8.150 nan 0.000 0.653 492 N N -0.363 118.327 118.700 -0.017 0.000 2.351 492 N HA 0.127 4.867 4.740 0.000 0.000 0.254 492 N C -0.604 174.878 175.510 -0.046 0.000 1.241 492 N CA 0.079 53.112 53.050 -0.028 0.000 0.883 492 N CB 0.637 39.108 38.487 -0.027 0.000 1.202 492 N HN 0.625 nan 8.380 nan 0.000 0.512 493 Q N 0.787 120.568 119.800 -0.033 0.000 2.263 493 Q HA 0.199 4.539 4.340 0.000 0.000 0.262 493 Q C -0.215 175.778 176.000 -0.012 0.000 0.984 493 Q CA -0.306 55.480 55.803 -0.029 0.000 0.813 493 Q CB 2.109 30.825 28.738 -0.037 0.000 1.299 493 Q HN 0.190 nan 8.270 nan 0.000 0.428 494 T N -1.751 112.798 114.554 -0.009 0.000 2.874 494 T HA 0.332 4.682 4.350 0.000 0.000 0.281 494 T C 1.234 175.937 174.700 0.005 0.000 0.994 494 T CA -0.335 61.764 62.100 -0.002 0.000 1.015 494 T CB 1.066 69.931 68.868 -0.005 0.000 1.028 494 T HN 0.331 nan 8.240 nan 0.000 0.523 495 S N 0.347 116.051 115.700 0.007 0.000 2.370 495 S HA -0.129 4.341 4.470 0.000 0.000 0.226 495 S C 1.995 176.608 174.600 0.021 0.000 1.033 495 S CA 0.899 59.107 58.200 0.013 0.000 1.011 495 S CB -0.470 62.735 63.200 0.009 0.000 0.852 495 S HN 0.791 nan 8.310 nan 0.000 0.457 496 E N 1.175 121.385 120.200 0.016 0.000 2.097 496 E HA -0.206 4.144 4.350 0.000 0.000 0.196 496 E C 1.976 178.596 176.600 0.034 0.000 1.000 496 E CA 1.281 57.694 56.400 0.022 0.000 0.804 496 E CB -0.158 29.547 29.700 0.008 0.000 0.740 496 E HN 0.619 nan 8.360 nan 0.000 0.454 497 E N -0.415 119.799 120.200 0.023 0.000 2.047 497 E HA -0.128 4.222 4.350 0.000 0.000 0.191 497 E C 2.263 178.898 176.600 0.057 0.000 0.987 497 E CA 1.213 57.630 56.400 0.027 0.000 0.799 497 E CB 0.081 29.783 29.700 0.003 0.000 0.752 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 V N 1.682 121.623 119.914 0.045 0.000 2.252 498 V HA -0.340 3.780 4.120 0.000 0.000 0.249 498 V C 2.408 178.564 176.094 0.102 0.000 1.056 498 V CA 2.042 64.376 62.300 0.057 0.000 1.022 498 V CB -1.027 30.817 31.823 0.036 0.000 0.641 498 V HN 0.339 nan 8.190 nan 0.000 0.445 499 A N 1.023 123.901 122.820 0.095 0.000 1.917 499 A HA -0.270 4.050 4.320 0.000 0.000 0.219 499 A C 2.576 180.320 177.584 0.266 0.000 1.182 499 A CA 2.865 54.979 52.037 0.128 0.000 0.633 499 A CB -0.974 18.075 19.000 0.082 0.000 0.819 499 A HN 0.752 nan 8.150 nan 0.000 0.448 500 S N 0.492 116.341 115.700 0.249 0.000 2.368 500 S HA 0.185 4.655 4.470 0.000 0.000 0.225 500 S C 1.296 176.176 174.600 0.467 0.000 1.030 500 S CA 0.647 59.038 58.200 0.317 0.000 0.999 500 S CB -1.176 62.083 63.200 0.097 0.000 0.844 500 S HN 1.324 nan 8.310 nan 0.000 0.459 501 A N 2.150 125.168 122.820 0.331 0.000 2.587 501 A HA 0.335 4.655 4.320 0.000 0.000 0.233 501 A C 0.458 178.226 177.584 0.306 0.000 1.049 501 A CA -0.141 52.072 52.037 0.292 0.000 0.754 501 A CB -0.481 18.610 19.000 0.153 0.000 0.977 501 A HN 0.605 nan 8.150 nan 0.000 0.509 502 L N 1.855 123.142 121.223 0.108 0.000 2.483 502 L HA 0.094 4.434 4.340 0.000 0.000 0.276 502 L C 1.954 178.871 176.870 0.080 0.000 1.213 502 L CA 0.214 55.022 54.840 -0.054 0.000 0.843 502 L CB 0.211 42.110 42.059 -0.266 0.000 1.107 502 L HN 0.954 nan 8.230 nan 0.000 0.487 503 A N 2.640 125.526 122.820 0.109 0.000 1.971 503 A HA -0.263 4.057 4.320 0.000 0.000 0.222 503 A C 1.810 179.422 177.584 0.046 0.000 1.182 503 A CA 2.222 54.305 52.037 0.076 0.000 0.649 503 A CB -0.687 18.348 19.000 0.057 0.000 0.818 503 A HN 0.940 nan 8.150 nan 0.000 0.458 504 N N 0.535 119.249 118.700 0.023 0.000 2.535 504 N HA -0.061 4.679 4.740 0.000 0.000 0.203 504 N C -0.961 174.574 175.510 0.042 0.000 1.301 504 N CA 0.379 53.446 53.050 0.029 0.000 0.859 504 N CB -0.329 38.160 38.487 0.003 0.000 1.055 504 N HN 0.460 nan 8.380 nan 0.000 0.457 505 D N -0.503 119.924 120.400 0.045 0.000 2.502 505 D HA 0.258 4.898 4.640 0.000 0.000 0.249 505 D C 0.845 177.158 176.300 0.022 0.000 1.092 505 D CA -0.296 53.724 54.000 0.034 0.000 0.839 505 D CB 2.158 42.973 40.800 0.024 0.000 1.264 505 D HN 0.108 nan 8.370 nan 0.000 0.511 506 A N 4.862 127.685 122.820 0.005 0.000 1.941 506 A HA -0.314 4.006 4.320 0.000 0.000 0.233 506 A C 2.185 179.739 177.584 -0.050 0.000 1.649 506 A CA 2.466 54.476 52.037 -0.046 0.000 0.726 506 A CB -1.024 17.948 19.000 -0.048 0.000 0.843 506 A HN 0.788 nan 8.150 nan 0.000 0.511 507 I N -0.115 120.426 120.570 -0.048 0.000 2.103 507 I HA -0.330 3.840 4.170 0.000 0.000 0.241 507 I C 2.425 178.551 176.117 0.015 0.000 1.036 507 I CA 2.938 64.227 61.300 -0.019 0.000 1.300 507 I CB -2.319 35.671 38.000 -0.016 0.000 1.010 507 I HN 0.566 nan 8.210 nan 0.000 0.406 508 V N -0.362 119.567 119.914 0.025 0.000 2.667 508 V HA -0.105 4.015 4.120 0.000 0.000 0.252 508 V C 2.665 178.763 176.094 0.007 0.000 1.065 508 V CA 1.157 63.471 62.300 0.022 0.000 1.083 508 V CB -1.102 30.736 31.823 0.026 0.000 0.692 508 V HN 0.431 nan 8.190 nan 0.000 0.468 509 L N 0.209 121.460 121.223 0.048 0.000 2.046 509 L HA -0.088 4.252 4.340 0.000 0.000 0.208 509 L C 2.681 179.569 176.870 0.029 0.000 1.077 509 L CA 1.530 56.423 54.840 0.088 0.000 0.747 509 L CB -0.828 41.427 42.059 0.326 0.000 0.896 509 L HN 0.246 nan 8.230 nan 0.000 0.432 510 V N -1.275 118.752 119.914 0.189 0.000 2.261 510 V HA -0.284 3.836 4.120 0.000 0.000 0.246 510 V C 2.668 178.834 176.094 0.120 0.000 1.047 510 V CA 2.021 64.470 62.300 0.248 0.000 1.015 510 V CB -0.632 31.270 31.823 0.131 0.000 0.642 510 V HN 0.410 nan 8.190 nan 0.000 0.446 511 S N 0.370 116.108 115.700 0.063 0.000 2.374 511 S HA -0.269 4.201 4.470 0.000 0.000 0.227 511 S C 1.901 176.507 174.600 0.010 0.000 1.037 511 S CA 2.197 60.434 58.200 0.062 0.000 1.024 511 S CB -0.543 62.684 63.200 0.045 0.000 0.861 511 S HN 0.676 nan 8.310 nan 0.000 0.456 512 N N 0.567 119.205 118.700 -0.102 0.000 2.104 512 N HA -0.088 4.652 4.740 0.000 0.000 0.190 512 N C 1.444 176.872 175.510 -0.136 0.000 1.024 512 N CA 1.844 54.797 53.050 -0.161 0.000 0.853 512 N CB -0.567 37.764 38.487 -0.260 0.000 1.008 512 N HN 0.654 nan 8.380 nan 0.000 0.424 513 H N -0.098 119.031 119.070 0.099 0.000 2.293 513 H HA 0.017 4.573 4.556 0.000 0.000 0.300 513 H C 1.903 177.295 175.328 0.106 0.000 1.082 513 H CA 0.953 57.048 56.048 0.078 0.000 1.308 513 H CB -0.172 29.641 29.762 0.084 0.000 1.375 513 H HN 0.081 nan 8.280 nan 0.000 0.495 514 L N 0.573 121.929 121.223 0.223 0.000 2.189 514 L HA -0.243 4.097 4.340 0.000 0.000 0.214 514 L C 1.757 178.789 176.870 0.269 0.000 1.097 514 L CA 1.211 56.210 54.840 0.265 0.000 0.764 514 L CB -0.348 41.897 42.059 0.309 0.000 0.900 514 L HN 0.358 nan 8.230 nan 0.000 0.436 515 N N -0.182 118.604 118.700 0.144 0.000 2.188 515 N HA -0.140 4.600 4.740 0.000 0.000 0.184 515 N C 1.673 177.232 175.510 0.081 0.000 1.018 515 N CA 0.951 54.048 53.050 0.078 0.000 0.858 515 N CB -0.018 38.486 38.487 0.028 0.000 0.989 515 N HN 0.294 nan 8.380 nan 0.000 0.426 516 K N 0.276 120.734 120.400 0.097 0.000 2.057 516 K HA -0.096 4.224 4.320 0.000 0.000 0.207 516 K C 1.810 178.470 176.600 0.100 0.000 1.049 516 K CA 0.723 57.063 56.287 0.089 0.000 0.931 516 K CB -0.296 32.260 32.500 0.093 0.000 0.714 516 K HN 0.092 nan 8.250 nan 0.000 0.440 517 L N 1.555 122.860 121.223 0.137 0.000 1.989 517 L HA -0.214 4.126 4.340 0.000 0.000 0.211 517 L C 2.348 179.326 176.870 0.180 0.000 1.071 517 L CA 2.024 56.955 54.840 0.152 0.000 0.749 517 L CB -0.736 41.432 42.059 0.181 0.000 0.890 517 L HN 0.175 nan 8.230 nan 0.000 0.431 518 A N -0.555 122.400 122.820 0.226 0.000 1.917 518 A HA -0.350 3.970 4.320 0.000 0.000 0.219 518 A C 2.187 179.810 177.584 0.064 0.000 1.182 518 A CA 2.318 54.437 52.037 0.136 0.000 0.633 518 A CB -1.245 17.747 19.000 -0.013 0.000 0.819 518 A HN 0.689 nan 8.150 nan 0.000 0.448 519 N N -0.554 118.177 118.700 0.052 0.000 2.069 519 N HA -0.150 4.590 4.740 0.000 0.000 0.191 519 N C 1.510 177.043 175.510 0.039 0.000 1.031 519 N CA 1.795 54.866 53.050 0.034 0.000 0.852 519 N CB -0.240 38.266 38.487 0.032 0.000 1.018 519 N HN 0.203 nan 8.380 nan 0.000 0.423 520 V N -0.136 119.810 119.914 0.053 0.000 2.261 520 V HA -0.228 3.892 4.120 0.000 0.000 0.246 520 V C 2.189 178.314 176.094 0.052 0.000 1.047 520 V CA 1.628 63.958 62.300 0.050 0.000 1.015 520 V CB -0.557 31.300 31.823 0.056 0.000 0.642 520 V HN 0.219 nan 8.190 nan 0.000 0.446 521 V N 0.992 120.948 119.914 0.071 0.000 2.295 521 V HA -0.167 3.953 4.120 0.000 0.000 0.246 521 V C 2.632 178.760 176.094 0.057 0.000 1.049 521 V CA 2.180 64.526 62.300 0.077 0.000 1.024 521 V CB -1.679 30.213 31.823 0.114 0.000 0.648 521 V HN 0.581 nan 8.190 nan 0.000 0.447 522 G N -0.762 108.065 108.800 0.044 0.000 2.408 522 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 522 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 522 G C 1.340 176.254 174.900 0.024 0.000 1.150 522 G CA 0.863 45.980 45.100 0.028 0.000 0.776 522 G HN 0.494 nan 8.290 nan 0.000 0.542 523 D N 0.350 120.764 120.400 0.024 0.000 2.194 523 D HA 0.076 4.716 4.640 0.000 0.000 0.204 523 D C 2.603 178.917 176.300 0.022 0.000 0.964 523 D CA 1.050 55.062 54.000 0.020 0.000 0.846 523 D CB 0.267 41.078 40.800 0.018 0.000 0.962 523 D HN 0.349 nan 8.370 nan 0.000 0.490 524 A N -0.064 122.773 122.820 0.028 0.000 1.963 524 A HA 0.173 4.493 4.320 0.000 0.000 0.207 524 A C 0.926 178.530 177.584 0.033 0.000 1.243 524 A CA 0.098 52.152 52.037 0.029 0.000 0.728 524 A CB 0.433 19.451 19.000 0.029 0.000 0.895 524 A HN 0.017 nan 8.150 nan 0.000 0.467 525 I N 1.291 121.886 120.570 0.041 0.000 2.392 525 I HA 0.315 4.485 4.170 0.000 0.000 0.295 525 I C -2.211 173.932 176.117 0.044 0.000 0.985 525 I CA -2.287 59.041 61.300 0.047 0.000 1.221 525 I CB 1.820 39.856 38.000 0.060 0.000 1.366 525 I HN 0.039 nan 8.210 nan 0.000 0.467 526 P HA 0.047 nan 4.420 nan 0.000 0.225 526 P C 0.346 177.672 177.300 0.043 0.000 1.813 526 P CA 0.007 63.128 63.100 0.036 0.000 1.013 526 P CB -0.058 31.659 31.700 0.028 0.000 1.961 527 V N -1.095 118.848 119.914 0.047 0.000 3.252 527 V HA 0.489 4.609 4.120 0.000 0.000 0.350 527 V C 0.956 177.071 176.094 0.035 0.000 1.329 527 V CA -0.288 62.042 62.300 0.050 0.000 1.258 527 V CB -0.718 31.144 31.823 0.066 0.000 1.208 527 V HN 0.239 nan 8.190 nan 0.000 0.462 528 A N 0.579 123.415 122.820 0.027 0.000 2.645 528 A HA 0.452 4.772 4.320 0.000 0.000 0.245 528 A C 1.277 178.870 177.584 0.016 0.000 1.758 528 A CA 0.345 52.393 52.037 0.018 0.000 0.850 528 A CB -0.560 18.449 19.000 0.015 0.000 1.656 528 A HN 0.498 nan 8.150 nan 0.000 0.641 529 S N 1.283 116.990 115.700 0.011 0.000 3.737 529 S HA 0.173 4.643 4.470 0.000 0.000 0.182 529 S C 0.535 175.142 174.600 0.012 0.000 1.072 529 S CA 0.913 59.119 58.200 0.010 0.000 1.014 529 S CB -1.113 62.090 63.200 0.006 0.000 1.471 529 S HN 0.758 nan 8.310 nan 0.000 0.447 530 R N -2.196 118.315 120.500 0.018 0.000 2.628 530 R HA -0.118 4.222 4.340 0.000 0.000 0.494 530 R C -0.488 175.825 176.300 0.022 0.000 0.637 530 R CA 0.541 56.654 56.100 0.021 0.000 1.264 530 R CB -3.019 27.291 30.300 0.016 0.000 2.025 530 R HN 0.464 nan 8.270 nan 0.000 0.385 531 T N -0.406 114.162 114.554 0.023 0.000 2.978 531 T HA 0.252 4.602 4.350 0.000 0.000 0.278 531 T C -0.091 174.629 174.700 0.034 0.000 0.945 531 T CA -0.186 61.926 62.100 0.020 0.000 1.070 531 T CB 1.137 70.015 68.868 0.016 0.000 0.948 531 T HN 0.185 nan 8.240 nan 0.000 0.617 532 D N 2.873 123.289 120.400 0.026 0.000 2.336 532 D HA 0.221 4.861 4.640 0.000 0.000 0.249 532 D C -0.546 175.749 176.300 -0.008 0.000 1.213 532 D CA -0.184 53.840 54.000 0.040 0.000 0.870 532 D CB 0.676 41.485 40.800 0.015 0.000 1.076 532 D HN 0.662 nan 8.370 nan 0.000 0.483 533 D N 0.936 121.363 120.400 0.045 0.000 2.217 533 D HA 0.140 4.780 4.640 0.000 0.000 0.243 533 D C 1.311 177.666 176.300 0.090 0.000 1.054 533 D CA -0.468 53.553 54.000 0.035 0.000 0.838 533 D CB 1.207 42.028 40.800 0.034 0.000 1.162 533 D HN 0.198 nan 8.370 nan 0.000 0.472 534 S N 3.018 118.720 115.700 0.003 0.000 2.432 534 S HA -0.382 4.088 4.470 0.000 0.000 0.243 534 S C 2.124 176.859 174.600 0.226 0.000 1.069 534 S CA 1.374 59.635 58.200 0.102 0.000 1.047 534 S CB -0.743 62.474 63.200 0.028 0.000 0.854 534 S HN 0.587 nan 8.310 nan 0.000 0.474 535 A N 2.165 125.077 122.820 0.152 0.000 1.971 535 A HA -0.166 4.154 4.320 0.000 0.000 0.222 535 A C 2.533 180.226 177.584 0.181 0.000 1.182 535 A CA 2.558 54.682 52.037 0.145 0.000 0.649 535 A CB -2.013 17.047 19.000 0.101 0.000 0.818 535 A HN 1.055 nan 8.150 nan 0.000 0.458 536 T N -1.413 113.297 114.554 0.259 0.000 3.163 536 T HA -0.003 4.347 4.350 0.000 0.000 0.260 536 T C 1.477 176.267 174.700 0.151 0.000 1.156 536 T CA 1.183 63.425 62.100 0.237 0.000 1.072 536 T CB -0.762 68.294 68.868 0.314 0.000 0.937 536 T HN 0.606 nan 8.240 nan 0.000 0.528 537 S N 1.294 117.151 115.700 0.260 0.000 2.469 537 S HA 0.097 4.567 4.470 0.000 0.000 0.238 537 S C 2.304 176.842 174.600 -0.104 0.000 0.998 537 S CA 0.495 58.751 58.200 0.094 0.000 0.957 537 S CB -0.591 62.813 63.200 0.339 0.000 0.764 537 S HN 0.742 nan 8.310 nan 0.000 0.514 538 A N 3.122 125.916 122.820 -0.044 0.000 1.873 538 A HA 0.069 4.389 4.320 0.000 0.000 0.215 538 A C 2.258 179.781 177.584 -0.102 0.000 1.186 538 A CA 1.325 53.332 52.037 -0.050 0.000 0.616 538 A CB -0.848 18.142 19.000 -0.016 0.000 0.823 538 A HN 0.692 nan 8.150 nan 0.000 0.442 539 I N -1.736 118.758 120.570 -0.126 0.000 2.286 539 I HA -0.131 4.039 4.170 0.000 0.000 0.248 539 I C 1.888 177.864 176.117 -0.236 0.000 1.115 539 I CA 1.606 62.813 61.300 -0.155 0.000 1.392 539 I CB -0.818 37.111 38.000 -0.119 0.000 1.065 539 I HN 0.070 nan 8.210 nan 0.000 0.418 540 V N 1.582 121.259 119.914 -0.394 0.000 2.453 540 V HA -0.180 3.940 4.120 0.000 0.000 0.247 540 V C 2.753 178.631 176.094 -0.360 0.000 1.048 540 V CA 2.075 64.050 62.300 -0.541 0.000 1.049 540 V CB -0.850 30.267 31.823 -1.176 0.000 0.672 540 V HN 0.451 nan 8.190 nan 0.000 0.457 541 S N 0.032 115.580 115.700 -0.253 0.000 2.382 541 S HA -0.229 4.241 4.470 0.000 0.000 0.228 541 S C 2.137 176.686 174.600 -0.085 0.000 1.027 541 S CA 1.595 59.726 58.200 -0.114 0.000 0.991 541 S CB -0.359 62.805 63.200 -0.060 0.000 0.823 541 S HN 0.420 nan 8.310 nan 0.000 0.469 542 R N 1.358 121.801 120.500 -0.095 0.000 2.075 542 R HA 0.149 4.489 4.340 0.000 0.000 0.232 542 R C 2.099 178.356 176.300 -0.072 0.000 1.126 542 R CA 1.122 57.179 56.100 -0.071 0.000 0.963 542 R CB -0.926 29.332 30.300 -0.070 0.000 0.858 542 R HN 0.388 nan 8.270 nan 0.000 0.435 543 L N -0.471 120.687 121.223 -0.108 0.000 2.042 543 L HA -0.173 4.167 4.340 0.000 0.000 0.210 543 L C 2.332 179.162 176.870 -0.066 0.000 1.076 543 L CA 1.519 56.300 54.840 -0.098 0.000 0.749 543 L CB -0.534 41.431 42.059 -0.156 0.000 0.893 543 L HN 0.299 nan 8.230 nan 0.000 0.432 544 A N -0.617 122.134 122.820 -0.114 0.000 1.933 544 A HA -0.149 4.171 4.320 0.000 0.000 0.218 544 A C 2.188 179.766 177.584 -0.011 0.000 1.175 544 A CA 1.923 53.908 52.037 -0.088 0.000 0.628 544 A CB -0.688 18.227 19.000 -0.143 0.000 0.814 544 A HN 0.263 nan 8.150 nan 0.000 0.444 545 V N -0.464 119.441 119.914 -0.015 0.000 2.591 545 V HA -0.228 3.892 4.120 0.000 0.000 0.249 545 V C 2.407 178.491 176.094 -0.016 0.000 1.053 545 V CA 1.713 64.008 62.300 -0.008 0.000 1.068 545 V CB -1.031 30.790 31.823 -0.004 0.000 0.689 545 V HN 0.596 nan 8.190 nan 0.000 0.462 546 Q N -0.173 119.622 119.800 -0.010 0.000 2.181 546 Q HA -0.237 4.103 4.340 0.000 0.000 0.205 546 Q C 1.926 177.927 176.000 0.002 0.000 0.980 546 Q CA 1.599 57.400 55.803 -0.004 0.000 0.862 546 Q CB -0.293 28.444 28.738 -0.000 0.000 0.905 546 Q HN 0.684 nan 8.270 nan 0.000 0.429 547 H N 0.894 119.936 119.070 -0.045 0.000 2.611 547 H HA 0.094 4.650 4.556 0.000 0.000 0.283 547 H C -0.245 175.068 175.328 -0.025 0.000 1.075 547 H CA 0.438 56.463 56.048 -0.039 0.000 1.184 547 H CB -0.293 29.436 29.762 -0.055 0.000 1.294 547 H HN -0.159 nan 8.280 nan 0.000 0.619 548 K N 0.883 121.140 120.400 -0.239 0.000 2.333 548 K HA 0.143 4.463 4.320 0.000 0.000 0.241 548 K C -0.801 175.686 176.600 -0.189 0.000 1.193 548 K CA -0.313 55.838 56.287 -0.226 0.000 1.142 548 K CB -0.789 31.647 32.500 -0.107 0.000 1.731 548 K HN 0.147 nan 8.250 nan 0.000 0.344 549 L N 1.873 122.920 121.223 -0.293 0.000 2.384 549 L HA 0.181 4.521 4.340 0.000 0.000 0.258 549 L C 0.098 176.897 176.870 -0.119 0.000 1.266 549 L CA 0.229 54.965 54.840 -0.174 0.000 1.162 549 L CB 0.241 42.214 42.059 -0.143 0.000 1.375 549 L HN 0.297 nan 8.230 nan 0.000 0.420 550 S N 1.098 116.748 115.700 -0.084 0.000 2.489 550 S HA 0.669 5.139 4.470 0.000 0.000 0.291 550 S C 0.048 174.627 174.600 -0.035 0.000 1.151 550 S CA -0.584 57.583 58.200 -0.055 0.000 1.082 550 S CB 1.152 64.326 63.200 -0.043 0.000 1.019 550 S HN 0.548 nan 8.310 nan 0.000 0.492 551 Q N 1.365 121.150 119.800 -0.024 0.000 3.182 551 Q HA 0.559 4.899 4.340 0.000 0.000 0.212 551 Q C -0.569 175.424 176.000 -0.012 0.000 1.099 551 Q CA -0.672 55.122 55.803 -0.016 0.000 0.680 551 Q CB 0.039 28.770 28.738 -0.011 0.000 3.554 551 Q HN 0.620 nan 8.270 nan 0.000 0.361 552 V N -1.187 118.722 119.914 -0.008 0.000 2.427 552 V HA 0.852 4.972 4.120 0.000 0.000 0.286 552 V C 0.590 176.682 176.094 -0.003 0.000 1.034 552 V CA 0.398 62.695 62.300 -0.005 0.000 0.893 552 V CB 0.187 32.008 31.823 -0.004 0.000 0.982 552 V HN 0.912 nan 8.190 nan 0.000 0.452 553 G N 3.385 112.184 108.800 -0.002 0.000 2.652 553 G HA2 -0.293 3.667 3.960 0.000 0.000 0.278 553 G HA3 -0.293 3.667 3.960 0.000 0.000 0.278 553 G C 0.372 175.272 174.900 0.001 0.000 1.263 553 G CA 0.559 45.659 45.100 0.000 0.000 0.966 553 G HN 1.346 nan 8.290 nan 0.000 0.544 554 Q N 2.304 122.105 119.800 0.003 0.000 2.534 554 Q HA 0.545 4.885 4.340 0.000 0.000 0.223 554 Q C 0.789 176.790 176.000 0.003 0.000 1.239 554 Q CA 0.479 56.285 55.803 0.005 0.000 0.936 554 Q CB -0.076 28.667 28.738 0.007 0.000 1.457 554 Q HN 1.134 nan 8.270 nan 0.000 0.547 555 A N 2.983 125.801 122.820 -0.002 0.000 2.346 555 A HA 0.083 4.403 4.320 0.000 0.000 0.255 555 A C 0.317 177.901 177.584 0.000 0.000 1.113 555 A CA -0.024 52.008 52.037 -0.009 0.000 0.798 555 A CB 0.313 19.301 19.000 -0.021 0.000 1.073 555 A HN 0.772 nan 8.150 nan 0.000 0.502 556 S N 1.391 117.089 115.700 -0.005 0.000 3.106 556 S HA 0.126 4.596 4.470 0.000 0.000 0.363 556 S C -1.812 172.818 174.600 0.051 0.000 1.191 556 S CA -0.466 57.751 58.200 0.028 0.000 1.191 556 S CB -0.331 62.887 63.200 0.029 0.000 0.884 556 S HN 0.476 nan 8.310 nan 0.000 0.526 557 P HA 0.200 nan 4.420 nan 0.000 0.225 557 P C -0.902 176.442 177.300 0.073 0.000 1.830 557 P CA -0.503 62.631 63.100 0.057 0.000 1.051 557 P CB -0.219 31.504 31.700 0.038 0.000 1.929 558 T N 2.886 117.505 114.554 0.109 0.000 2.794 558 T HA 0.277 4.627 4.350 0.000 0.000 0.304 558 T C -2.265 172.490 174.700 0.091 0.000 0.973 558 T CA -1.601 60.570 62.100 0.119 0.000 0.972 558 T CB -0.217 68.797 68.868 0.242 0.000 0.952 558 T HN 0.158 nan 8.240 nan 0.000 0.509 559 P HA 0.128 nan 4.420 nan 0.000 0.258 559 P C -2.292 175.066 177.300 0.097 0.000 1.187 559 P CA -0.989 62.155 63.100 0.074 0.000 0.767 559 P CB -0.577 31.158 31.700 0.058 0.000 0.770 560 P HA -0.173 nan 4.420 nan 0.000 0.265 560 P C 0.254 177.656 177.300 0.169 0.000 1.151 560 P CA 0.677 63.911 63.100 0.224 0.000 0.755 560 P CB 0.362 32.281 31.700 0.365 0.000 0.756 561 D N 1.387 121.715 120.400 -0.120 0.000 2.347 561 D HA -0.232 4.408 4.640 0.000 0.000 0.208 561 D C 1.247 177.266 176.300 -0.469 0.000 0.994 561 D CA 1.592 55.330 54.000 -0.437 0.000 0.924 561 D CB -0.596 39.859 40.800 -0.574 0.000 0.892 561 D HN 0.549 nan 8.370 nan 0.000 0.471 562 Y N -0.080 120.332 120.300 0.187 0.000 2.242 562 Y HA -0.031 4.519 4.550 0.000 0.000 0.291 562 Y C -0.393 175.717 175.900 0.350 0.000 1.137 562 Y CA 0.512 58.818 58.100 0.343 0.000 1.181 562 Y CB -1.688 36.936 38.460 0.275 0.000 0.989 562 Y HN 0.228 nan 8.280 nan 0.000 0.527 563 P HA -0.054 nan 4.420 nan 0.000 0.212 563 P C 1.663 179.055 177.300 0.153 0.000 1.171 563 P CA 1.141 64.348 63.100 0.179 0.000 0.892 563 P CB -0.033 31.733 31.700 0.109 0.000 0.769 564 L N -0.903 120.364 121.223 0.072 0.000 1.980 564 L HA -0.250 4.090 4.340 0.000 0.000 0.232 564 L C 2.694 179.553 176.870 -0.018 0.000 1.092 564 L CA 1.763 56.609 54.840 0.009 0.000 0.808 564 L CB -1.706 40.334 42.059 -0.032 0.000 0.908 564 L HN -0.094 nan 8.230 nan 0.000 0.442 565 L N -1.697 119.477 121.223 -0.081 0.000 2.093 565 L HA -0.205 4.135 4.340 0.000 0.000 0.208 565 L C 2.285 179.079 176.870 -0.126 0.000 1.085 565 L CA 1.472 56.227 54.840 -0.140 0.000 0.755 565 L CB -0.783 41.143 42.059 -0.221 0.000 0.904 565 L HN 0.382 nan 8.230 nan 0.000 0.435 566 W N 1.191 122.439 121.300 -0.088 0.000 2.335 566 W HA -0.210 4.450 4.660 0.000 0.000 0.311 566 W C 2.708 179.215 176.519 -0.020 0.000 1.213 566 W CA 1.726 59.048 57.345 -0.039 0.000 1.274 566 W CB -0.384 29.071 29.460 -0.010 0.000 1.148 566 W HN 0.154 nan 8.180 nan 0.000 0.498 567 R N -0.480 120.153 120.500 0.221 0.000 2.073 567 R HA -0.107 4.233 4.340 0.000 0.000 0.229 567 R C 2.283 178.624 176.300 0.069 0.000 1.120 567 R CA 1.521 57.708 56.100 0.144 0.000 0.967 567 R CB -0.545 29.815 30.300 0.100 0.000 0.862 567 R HN 0.089 nan 8.270 nan 0.000 0.436 568 R N 0.725 121.238 120.500 0.023 0.000 2.091 568 R HA -0.116 4.224 4.340 0.000 0.000 0.238 568 R C 2.311 178.602 176.300 -0.015 0.000 1.136 568 R CA 1.663 57.757 56.100 -0.010 0.000 0.959 568 R CB -0.461 29.812 30.300 -0.044 0.000 0.856 568 R HN 0.220 nan 8.270 nan 0.000 0.437 569 A N 1.160 123.955 122.820 -0.042 0.000 1.929 569 A HA -0.152 4.168 4.320 0.000 0.000 0.216 569 A C 2.056 179.639 177.584 -0.001 0.000 1.176 569 A CA 1.376 53.374 52.037 -0.064 0.000 0.628 569 A CB -0.258 18.635 19.000 -0.179 0.000 0.816 569 A HN 0.156 nan 8.150 nan 0.000 0.444 570 K N 0.229 120.665 120.400 0.059 0.000 2.032 570 K HA -0.140 4.180 4.320 0.000 0.000 0.209 570 K C 2.100 178.740 176.600 0.067 0.000 1.048 570 K CA 1.758 58.100 56.287 0.093 0.000 0.927 570 K CB -0.318 32.265 32.500 0.138 0.000 0.712 570 K HN 0.422 nan 8.250 nan 0.000 0.441 571 R N -0.304 120.228 120.500 0.052 0.000 2.112 571 R HA -0.205 4.135 4.340 0.000 0.000 0.242 571 R C 2.363 178.687 176.300 0.039 0.000 1.137 571 R CA 1.905 58.028 56.100 0.038 0.000 0.944 571 R CB -0.686 29.630 30.300 0.026 0.000 0.857 571 R HN 0.372 nan 8.270 nan 0.000 0.435 572 A N 0.659 123.501 122.820 0.037 0.000 1.969 572 A HA -0.026 4.295 4.320 0.000 0.000 0.218 572 A C 2.332 179.974 177.584 0.097 0.000 1.169 572 A CA 1.387 53.456 52.037 0.052 0.000 0.635 572 A CB -0.577 18.441 19.000 0.030 0.000 0.810 572 A HN 0.433 nan 8.150 nan 0.000 0.445 573 A N -0.563 122.313 122.820 0.094 0.000 1.892 573 A HA -0.185 4.135 4.320 0.000 0.000 0.218 573 A C 2.479 180.155 177.584 0.152 0.000 1.188 573 A CA 2.315 54.443 52.037 0.152 0.000 0.631 573 A CB -1.096 17.972 19.000 0.114 0.000 0.822 573 A HN 0.513 nan 8.150 nan 0.000 0.447 574 S N -1.358 114.392 115.700 0.084 0.000 2.353 574 S HA -0.209 4.261 4.470 0.000 0.000 0.222 574 S C 2.038 176.642 174.600 0.007 0.000 1.035 574 S CA 2.106 60.329 58.200 0.039 0.000 1.025 574 S CB -0.382 62.838 63.200 0.034 0.000 0.902 574 S HN 0.401 nan 8.310 nan 0.000 0.440 575 M N 0.596 120.211 119.600 0.025 0.000 2.082 575 M HA -0.015 4.465 4.480 0.000 0.000 0.258 575 M C 1.730 178.023 176.300 -0.013 0.000 1.069 575 M CA 1.366 56.673 55.300 0.011 0.000 1.102 575 M CB -1.141 31.481 32.600 0.037 0.000 1.336 575 M HN 0.483 nan 8.290 nan 0.000 0.404 576 F N 0.238 120.192 119.950 0.006 0.000 2.091 576 F HA -0.211 4.316 4.527 0.000 0.000 0.299 576 F C 2.088 177.895 175.800 0.011 0.000 1.103 576 F CA 1.535 59.541 58.000 0.009 0.000 1.228 576 F CB -0.740 38.266 39.000 0.010 0.000 0.984 576 F HN -0.045 nan 8.300 nan 0.000 0.477 577 V N 0.545 120.154 119.914 -0.510 0.000 2.287 577 V HA -0.333 3.787 4.120 0.000 0.000 0.248 577 V C 2.663 178.576 176.094 -0.302 0.000 1.053 577 V CA 2.192 64.246 62.300 -0.410 0.000 1.027 577 V CB -1.511 30.236 31.823 -0.128 0.000 0.646 577 V HN 0.565 nan 8.190 nan 0.000 0.447 578 S N -0.237 115.347 115.700 -0.193 0.000 2.419 578 S HA -0.141 4.329 4.470 0.000 0.000 0.235 578 S C 1.036 175.554 174.600 -0.137 0.000 1.019 578 S CA 1.429 59.548 58.200 -0.134 0.000 0.982 578 S CB -0.284 62.869 63.200 -0.079 0.000 0.789 578 S HN 0.614 nan 8.310 nan 0.000 0.490 579 N N 0.650 119.239 118.700 -0.184 0.000 2.629 579 N HA 0.337 5.077 4.740 0.000 0.000 0.277 579 N C -2.896 172.480 175.510 -0.223 0.000 1.188 579 N CA -1.648 51.305 53.050 -0.162 0.000 0.835 579 N CB 1.785 40.224 38.487 -0.081 0.000 1.420 579 N HN -0.181 nan 8.380 nan 0.000 0.542 580 P HA -0.166 nan 4.420 nan 0.000 0.216 580 P C 1.398 178.759 177.300 0.102 0.000 1.150 580 P CA 1.505 64.488 63.100 -0.196 0.000 0.843 580 P CB 0.256 31.902 31.700 -0.091 0.000 0.787 581 S N -0.600 115.124 115.700 0.040 0.000 2.419 581 S HA -0.173 4.297 4.470 0.000 0.000 0.235 581 S C 1.881 176.527 174.600 0.077 0.000 1.019 581 S CA 1.088 59.326 58.200 0.063 0.000 0.982 581 S CB -1.804 61.414 63.200 0.029 0.000 0.789 581 S HN 0.101 nan 8.310 nan 0.000 0.490 582 L N 1.287 122.555 121.223 0.075 0.000 2.270 582 L HA -0.181 4.159 4.340 0.000 0.000 0.217 582 L C 3.046 179.985 176.870 0.114 0.000 1.107 582 L CA 1.114 56.004 54.840 0.084 0.000 0.772 582 L CB -0.890 41.214 42.059 0.074 0.000 0.902 582 L HN 0.508 nan 8.230 nan 0.000 0.439 583 A N -0.094 122.834 122.820 0.180 0.000 1.972 583 A HA -0.119 4.201 4.320 0.000 0.000 0.219 583 A C 2.137 179.761 177.584 0.066 0.000 1.169 583 A CA 1.449 53.566 52.037 0.135 0.000 0.635 583 A CB -0.443 18.646 19.000 0.148 0.000 0.810 583 A HN 0.447 nan 8.150 nan 0.000 0.446 584 L N -1.097 120.166 121.223 0.067 0.000 2.529 584 L HA 0.081 4.421 4.340 0.000 0.000 0.223 584 L C 0.558 177.440 176.870 0.020 0.000 1.113 584 L CA 0.004 54.863 54.840 0.033 0.000 0.861 584 L CB -0.034 42.042 42.059 0.028 0.000 1.012 584 L HN 0.334 nan 8.230 nan 0.000 0.461 585 Q N 0.838 120.656 119.800 0.030 0.000 2.314 585 Q HA 0.231 4.571 4.340 0.000 0.000 0.257 585 Q C -0.145 175.865 176.000 0.016 0.000 0.975 585 Q CA -0.412 55.403 55.803 0.020 0.000 0.933 585 Q CB 2.178 30.928 28.738 0.021 0.000 1.195 585 Q HN -0.055 nan 8.270 nan 0.000 0.426 586 V N 3.161 123.080 119.914 0.007 0.000 2.992 586 V HA -0.120 4.000 4.120 0.000 0.000 0.294 586 V C 1.178 177.276 176.094 0.006 0.000 1.254 586 V CA 2.184 64.487 62.300 0.004 0.000 1.359 586 V CB 0.087 31.910 31.823 -0.001 0.000 0.914 586 V HN 1.088 nan 8.190 nan 0.000 0.519 587 G N 5.648 114.451 108.800 0.005 0.000 2.366 587 G HA2 -0.207 3.753 3.960 0.000 0.000 0.299 587 G HA3 -0.207 3.753 3.960 0.000 0.000 0.299 587 G C -0.244 174.660 174.900 0.007 0.000 1.020 587 G CA 0.298 45.401 45.100 0.004 0.000 1.026 587 G HN 0.640 nan 8.290 nan 0.000 0.512 588 I N 0.076 120.652 120.570 0.011 0.000 2.321 588 I HA 0.200 4.370 4.170 0.000 0.000 0.291 588 I C -0.432 175.690 176.117 0.010 0.000 0.998 588 I CA -2.335 58.975 61.300 0.016 0.000 1.227 588 I CB 1.164 39.181 38.000 0.029 0.000 1.368 588 I HN -0.085 nan 8.210 nan 0.000 0.466 589 P HA -0.242 nan 4.420 nan 0.000 0.212 589 P C 1.506 178.803 177.300 -0.006 0.000 1.128 589 P CA 1.938 65.037 63.100 -0.002 0.000 0.961 589 P CB 0.209 31.906 31.700 -0.005 0.000 0.782 590 V N -5.110 114.799 119.914 -0.008 0.000 3.523 590 V HA 0.136 4.256 4.120 0.000 0.000 0.255 590 V C 2.063 178.146 176.094 -0.018 0.000 1.226 590 V CA 0.557 62.846 62.300 -0.017 0.000 1.092 590 V CB -1.248 30.555 31.823 -0.032 0.000 0.817 590 V HN -0.029 nan 8.190 nan 0.000 0.458 591 L N 2.051 123.270 121.223 -0.006 0.000 2.201 591 L HA -0.079 4.261 4.340 0.000 0.000 0.212 591 L C 2.926 179.789 176.870 -0.012 0.000 1.105 591 L CA 1.839 56.672 54.840 -0.011 0.000 0.775 591 L CB -1.150 40.919 42.059 0.017 0.000 0.913 591 L HN 0.586 nan 8.230 nan 0.000 0.440 592 T N -3.112 111.441 114.554 -0.002 0.000 2.792 592 T HA -0.301 4.049 4.350 0.000 0.000 0.268 592 T C 1.265 175.959 174.700 -0.010 0.000 1.059 592 T CA 0.983 63.081 62.100 -0.003 0.000 1.136 592 T CB -0.358 68.510 68.868 -0.000 0.000 0.846 592 T HN 0.162 nan 8.240 nan 0.000 0.489 593 Q N 2.176 121.966 119.800 -0.017 0.000 2.423 593 Q HA 0.260 4.600 4.340 0.000 0.000 0.235 593 Q C 1.429 177.410 176.000 -0.032 0.000 1.100 593 Q CA 0.193 55.983 55.803 -0.021 0.000 0.908 593 Q CB 1.089 29.815 28.738 -0.020 0.000 1.312 593 Q HN 0.659 nan 8.270 nan 0.000 0.497 594 S N 1.662 117.347 115.700 -0.025 0.000 2.423 594 S HA -0.198 4.272 4.470 0.000 0.000 0.238 594 S C 1.689 176.268 174.600 -0.036 0.000 1.028 594 S CA 1.269 59.452 58.200 -0.030 0.000 1.000 594 S CB -0.327 62.864 63.200 -0.014 0.000 0.797 594 S HN 0.701 nan 8.310 nan 0.000 0.487 595 G N 2.066 110.847 108.800 -0.031 0.000 2.491 595 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 595 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 595 G C 1.501 176.373 174.900 -0.047 0.000 1.180 595 G CA 1.296 46.376 45.100 -0.033 0.000 0.774 595 G HN 0.583 nan 8.290 nan 0.000 0.562 596 M N -0.544 119.023 119.600 -0.056 0.000 2.279 596 M HA 0.068 4.548 4.480 0.000 0.000 0.264 596 M C 2.402 178.643 176.300 -0.098 0.000 1.062 596 M CA 0.677 55.933 55.300 -0.074 0.000 1.099 596 M CB -0.186 32.370 32.600 -0.074 0.000 1.394 596 M HN 0.211 nan 8.290 nan 0.000 0.426 597 L N -0.328 120.833 121.223 -0.103 0.000 2.162 597 L HA -0.017 4.323 4.340 0.000 0.000 0.205 597 L C 2.468 179.273 176.870 -0.108 0.000 1.086 597 L CA 1.468 56.218 54.840 -0.149 0.000 0.778 597 L CB -0.349 41.611 42.059 -0.165 0.000 0.928 597 L HN 0.132 nan 8.230 nan 0.000 0.446 598 S N -0.072 115.589 115.700 -0.065 0.000 2.370 598 S HA -0.227 4.243 4.470 0.000 0.000 0.226 598 S C 2.143 176.719 174.600 -0.039 0.000 1.033 598 S CA 1.182 59.358 58.200 -0.040 0.000 1.011 598 S CB -0.724 62.461 63.200 -0.025 0.000 0.852 598 S HN 0.572 nan 8.310 nan 0.000 0.457 599 A N 1.345 124.137 122.820 -0.046 0.000 1.940 599 A HA -0.037 4.283 4.320 0.000 0.000 0.219 599 A C 2.146 179.705 177.584 -0.041 0.000 1.176 599 A CA 1.283 53.295 52.037 -0.041 0.000 0.631 599 A CB -0.705 18.266 19.000 -0.050 0.000 0.814 599 A HN 0.465 nan 8.150 nan 0.000 0.446 600 L N -0.851 120.335 121.223 -0.062 0.000 2.023 600 L HA -0.137 4.203 4.340 0.000 0.000 0.205 600 L C 2.729 179.576 176.870 -0.037 0.000 1.073 600 L CA 2.039 56.844 54.840 -0.058 0.000 0.745 600 L CB -0.610 41.385 42.059 -0.107 0.000 0.900 600 L HN 0.421 nan 8.230 nan 0.000 0.435 601 T N -0.242 114.281 114.554 -0.051 0.000 2.597 601 T HA -0.253 4.097 4.350 0.000 0.000 0.267 601 T C 2.001 176.698 174.700 -0.006 0.000 1.053 601 T CA 2.109 64.193 62.100 -0.025 0.000 1.165 601 T CB -0.547 68.304 68.868 -0.029 0.000 0.863 601 T HN 0.653 nan 8.240 nan 0.000 0.427 602 S N 1.560 117.255 115.700 -0.009 0.000 2.343 602 S HA -0.046 4.424 4.470 0.000 0.000 0.219 602 S C 2.457 177.059 174.600 0.004 0.000 1.033 602 S CA 1.338 59.537 58.200 -0.002 0.000 1.014 602 S CB -1.524 61.674 63.200 -0.003 0.000 0.915 602 S HN 0.570 nan 8.310 nan 0.000 0.435 603 G N 1.590 110.391 108.800 0.002 0.000 2.606 603 G HA2 -0.280 3.680 3.960 0.000 0.000 0.221 603 G HA3 -0.280 3.680 3.960 0.000 0.000 0.221 603 G C 1.510 176.422 174.900 0.021 0.000 1.152 603 G CA 1.266 46.373 45.100 0.011 0.000 0.765 603 G HN 0.506 nan 8.290 nan 0.000 0.595 604 V N 1.405 121.332 119.914 0.022 0.000 2.324 604 V HA -0.106 4.014 4.120 0.000 0.000 0.250 604 V C 2.998 179.109 176.094 0.028 0.000 1.060 604 V CA 2.831 65.150 62.300 0.031 0.000 1.042 604 V CB -0.896 30.950 31.823 0.038 0.000 0.650 604 V HN 0.458 nan 8.190 nan 0.000 0.450 605 G N -0.723 108.090 108.800 0.021 0.000 2.421 605 G HA2 -0.321 3.639 3.960 0.000 0.000 0.216 605 G HA3 -0.321 3.639 3.960 0.000 0.000 0.216 605 G C 1.725 176.635 174.900 0.017 0.000 1.171 605 G CA 1.797 46.908 45.100 0.017 0.000 0.775 605 G HN 0.610 nan 8.290 nan 0.000 0.543 606 T N 0.276 114.841 114.554 0.018 0.000 2.665 606 T HA -0.099 4.251 4.350 0.000 0.000 0.268 606 T C 2.566 177.281 174.700 0.025 0.000 1.035 606 T CA 2.205 64.317 62.100 0.020 0.000 1.151 606 T CB -0.689 68.191 68.868 0.021 0.000 0.862 606 T HN 0.454 nan 8.240 nan 0.000 0.438 607 A N 1.482 124.320 122.820 0.030 0.000 1.978 607 A HA 0.092 4.412 4.320 0.000 0.000 0.220 607 A C 2.455 180.058 177.584 0.031 0.000 1.170 607 A CA 1.548 53.607 52.037 0.036 0.000 0.636 607 A CB -0.878 18.149 19.000 0.045 0.000 0.810 607 A HN 0.576 nan 8.150 nan 0.000 0.448 608 L N -1.606 119.633 121.223 0.027 0.000 2.007 608 L HA -0.120 4.220 4.340 0.000 0.000 0.205 608 L C 2.661 179.541 176.870 0.017 0.000 1.073 608 L CA 1.498 56.351 54.840 0.022 0.000 0.744 608 L CB -0.589 41.482 42.059 0.020 0.000 0.898 608 L HN 0.419 nan 8.230 nan 0.000 0.435 609 R N 0.085 120.595 120.500 0.015 0.000 2.206 609 R HA -0.258 4.082 4.340 0.000 0.000 0.240 609 R C 1.605 177.912 176.300 0.013 0.000 1.117 609 R CA 2.718 58.825 56.100 0.012 0.000 0.915 609 R CB -0.553 29.754 30.300 0.012 0.000 0.888 609 R HN 0.507 nan 8.270 nan 0.000 0.432 610 T N -2.559 112.005 114.554 0.016 0.000 3.214 610 T HA 0.324 4.674 4.350 0.000 0.000 0.264 610 T C 0.397 175.108 174.700 0.019 0.000 1.012 610 T CA -0.083 62.026 62.100 0.016 0.000 0.901 610 T CB 0.918 69.796 68.868 0.016 0.000 1.070 610 T HN 0.354 nan 8.240 nan 0.000 0.561 611 G N 1.678 110.490 108.800 0.020 0.000 2.378 611 G HA2 0.412 4.372 3.960 0.000 0.000 0.255 611 G HA3 0.412 4.372 3.960 0.000 0.000 0.255 611 G C 0.183 175.094 174.900 0.018 0.000 1.270 611 G CA -0.624 44.489 45.100 0.022 0.000 0.876 611 G HN 0.496 nan 8.290 nan 0.000 0.521 612 S N 3.322 119.032 115.700 0.018 0.000 3.036 612 S HA 0.256 4.726 4.470 0.000 0.000 0.301 612 S C 0.587 175.196 174.600 0.015 0.000 1.205 612 S CA -0.766 57.443 58.200 0.015 0.000 0.999 612 S CB -0.164 63.044 63.200 0.014 0.000 1.337 612 S HN 0.711 nan 8.310 nan 0.000 0.515 613 L N 1.699 122.931 121.223 0.015 0.000 4.053 613 L HA -0.162 4.178 4.340 0.000 0.000 0.479 613 L C 1.102 177.982 176.870 0.016 0.000 0.886 613 L CA 0.313 55.163 54.840 0.015 0.000 0.766 613 L CB -1.913 40.155 42.059 0.015 0.000 1.153 613 L HN 0.801 nan 8.230 nan 0.000 0.861 614 G N 2.900 111.710 108.800 0.017 0.000 2.305 614 G HA2 0.213 4.173 3.960 0.000 0.000 0.281 614 G HA3 0.213 4.173 3.960 0.000 0.000 0.281 614 G C 0.299 175.209 174.900 0.015 0.000 1.085 614 G CA -0.256 44.855 45.100 0.017 0.000 1.211 614 G HN 0.534 nan 8.290 nan 0.000 0.421 615 K N 2.759 123.167 120.400 0.013 0.000 2.530 615 K HA 0.430 4.750 4.320 0.000 0.000 0.230 615 K C 0.742 177.347 176.600 0.009 0.000 1.002 615 K CA -0.519 55.775 56.287 0.012 0.000 1.014 615 K CB 0.697 33.205 32.500 0.012 0.000 1.286 615 K HN 0.407 nan 8.250 nan 0.000 0.480 616 G N 2.608 111.414 108.800 0.010 0.000 2.101 616 G HA2 -0.102 3.858 3.960 0.000 0.000 0.262 616 G HA3 -0.102 3.858 3.960 0.000 0.000 0.262 616 G C 1.211 176.114 174.900 0.005 0.000 1.041 616 G CA 0.133 45.237 45.100 0.007 0.000 1.002 616 G HN 0.533 nan 8.290 nan 0.000 0.403 617 V N 3.383 123.298 119.914 0.003 0.000 2.277 617 V HA -0.314 3.806 4.120 0.000 0.000 0.253 617 V C 3.196 179.291 176.094 0.001 0.000 1.067 617 V CA 3.629 65.930 62.300 0.001 0.000 1.047 617 V CB -0.819 31.003 31.823 -0.002 0.000 0.649 617 V HN 1.041 nan 8.190 nan 0.000 0.447 618 T N -1.715 112.840 114.554 0.001 0.000 2.570 618 T HA -0.336 4.014 4.350 0.000 0.000 0.266 618 T C 1.691 176.392 174.700 0.002 0.000 1.071 618 T CA 2.100 64.200 62.100 0.001 0.000 1.172 618 T CB -0.939 67.930 68.868 0.001 0.000 0.864 618 T HN 0.583 nan 8.240 nan 0.000 0.421 619 D N 1.841 122.243 120.400 0.003 0.000 2.178 619 D HA 0.025 4.665 4.640 0.000 0.000 0.201 619 D C 2.284 178.586 176.300 0.003 0.000 0.980 619 D CA 1.248 55.250 54.000 0.003 0.000 0.842 619 D CB -0.618 40.185 40.800 0.005 0.000 0.948 619 D HN 0.548 nan 8.370 nan 0.000 0.472 620 A N 0.247 123.070 122.820 0.004 0.000 1.841 620 A HA -0.203 4.117 4.320 0.000 0.000 0.216 620 A C 2.402 179.988 177.584 0.003 0.000 1.199 620 A CA 2.981 55.021 52.037 0.004 0.000 0.621 620 A CB -1.303 17.700 19.000 0.005 0.000 0.835 620 A HN 0.388 nan 8.150 nan 0.000 0.445 621 S N 0.140 115.841 115.700 0.002 0.000 2.380 621 S HA -0.277 4.193 4.470 0.000 0.000 0.229 621 S C 1.645 176.245 174.600 -0.000 0.000 1.043 621 S CA 1.905 60.105 58.200 0.001 0.000 1.038 621 S CB -0.567 62.633 63.200 -0.000 0.000 0.872 621 S HN 0.567 nan 8.310 nan 0.000 0.456 622 E N 1.375 121.575 120.200 -0.000 0.000 2.106 622 E HA 0.012 4.362 4.350 0.000 0.000 0.192 622 E C 2.108 178.707 176.600 -0.001 0.000 0.984 622 E CA 1.048 57.448 56.400 -0.001 0.000 0.806 622 E CB -0.210 29.490 29.700 -0.001 0.000 0.750 622 E HN 0.655 nan 8.360 nan 0.000 0.458 623 K N 0.327 120.727 120.400 -0.000 0.000 2.057 623 K HA -0.133 4.187 4.320 0.000 0.000 0.206 623 K C 2.135 178.735 176.600 0.000 0.000 1.050 623 K CA 0.857 57.145 56.287 0.000 0.000 0.935 623 K CB -0.181 32.321 32.500 0.002 0.000 0.715 623 K HN 0.109 nan 8.250 nan 0.000 0.439 624 L N 1.920 123.144 121.223 0.001 0.000 2.021 624 L HA -0.258 4.082 4.340 0.000 0.000 0.215 624 L C 2.524 179.393 176.870 -0.000 0.000 1.074 624 L CA 1.851 56.691 54.840 0.001 0.000 0.760 624 L CB -0.572 41.487 42.059 0.001 0.000 0.889 624 L HN 0.157 nan 8.230 nan 0.000 0.433 625 R N -0.207 120.292 120.500 -0.001 0.000 2.070 625 R HA -0.148 4.192 4.340 0.000 0.000 0.232 625 R C 2.167 178.465 176.300 -0.004 0.000 1.138 625 R CA 1.659 57.757 56.100 -0.002 0.000 0.936 625 R CB -0.773 29.526 30.300 -0.002 0.000 0.839 625 R HN 0.554 nan 8.270 nan 0.000 0.429 626 A N 1.454 124.271 122.820 -0.005 0.000 1.948 626 A HA -0.189 4.131 4.320 0.000 0.000 0.220 626 A C 2.285 179.864 177.584 -0.009 0.000 1.177 626 A CA 1.606 53.638 52.037 -0.008 0.000 0.636 626 A CB -0.484 18.512 19.000 -0.008 0.000 0.815 626 A HN 0.411 nan 8.150 nan 0.000 0.449 627 R N -0.902 119.595 120.500 -0.005 0.000 2.096 627 R HA -0.145 4.195 4.340 0.000 0.000 0.235 627 R C 2.480 178.778 176.300 -0.002 0.000 1.127 627 R CA 1.626 57.723 56.100 -0.004 0.000 0.968 627 R CB -0.307 29.992 30.300 -0.001 0.000 0.861 627 R HN 0.696 nan 8.270 nan 0.000 0.440 628 Q N 0.142 119.941 119.800 -0.001 0.000 2.016 628 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 628 Q C 2.318 178.317 176.000 -0.002 0.000 0.978 628 Q CA 2.041 57.845 55.803 0.001 0.000 0.833 628 Q CB -0.006 28.733 28.738 0.001 0.000 0.895 628 Q HN 0.381 nan 8.270 nan 0.000 0.427 629 S N 0.737 116.433 115.700 -0.007 0.000 2.400 629 S HA -0.200 4.270 4.470 0.000 0.000 0.232 629 S C 1.901 176.488 174.600 -0.022 0.000 1.025 629 S CA 1.047 59.239 58.200 -0.012 0.000 0.993 629 S CB -0.499 62.694 63.200 -0.013 0.000 0.808 629 S HN 0.291 nan 8.310 nan 0.000 0.478 630 L N 2.006 123.216 121.223 -0.022 0.000 1.989 630 L HA -0.118 4.222 4.340 0.000 0.000 0.211 630 L C 2.681 179.532 176.870 -0.032 0.000 1.071 630 L CA 2.269 57.090 54.840 -0.031 0.000 0.749 630 L CB -1.206 40.837 42.059 -0.026 0.000 0.890 630 L HN 0.322 nan 8.230 nan 0.000 0.431 631 T N -1.008 113.541 114.554 -0.008 0.000 2.635 631 T HA -0.245 4.105 4.350 0.000 0.000 0.267 631 T C 1.896 176.593 174.700 -0.005 0.000 1.040 631 T CA 1.924 64.033 62.100 0.015 0.000 1.156 631 T CB -0.666 68.221 68.868 0.032 0.000 0.863 631 T HN 0.213 nan 8.240 nan 0.000 0.430 632 V N 2.106 122.015 119.914 -0.009 0.000 2.231 632 V HA -0.281 3.839 4.120 0.000 0.000 0.250 632 V C 2.942 179.007 176.094 -0.047 0.000 1.058 632 V CA 2.026 64.317 62.300 -0.015 0.000 1.022 632 V CB -1.431 30.388 31.823 -0.007 0.000 0.640 632 V HN 0.602 nan 8.190 nan 0.000 0.445 633 A N -0.921 121.863 122.820 -0.060 0.000 1.933 633 A HA -0.226 4.094 4.320 0.000 0.000 0.218 633 A C 2.322 179.817 177.584 -0.148 0.000 1.175 633 A CA 1.902 53.889 52.037 -0.083 0.000 0.628 633 A CB -0.463 18.489 19.000 -0.081 0.000 0.814 633 A HN 0.531 nan 8.150 nan 0.000 0.444 634 K N -0.762 119.513 120.400 -0.208 0.000 2.032 634 K HA -0.176 4.144 4.320 0.000 0.000 0.209 634 K C 2.311 178.219 176.600 -1.154 0.000 1.048 634 K CA 1.420 57.429 56.287 -0.462 0.000 0.927 634 K CB -0.241 32.114 32.500 -0.243 0.000 0.712 634 K HN 0.457 nan 8.250 nan 0.000 0.441 635 Q N 0.151 119.645 119.800 -0.511 0.000 2.029 635 Q HA -0.209 4.131 4.340 0.000 0.000 0.209 635 Q C 2.178 178.088 176.000 -0.149 0.000 0.999 635 Q CA 2.011 57.704 55.803 -0.185 0.000 0.857 635 Q CB -0.589 28.188 28.738 0.064 0.000 0.926 635 Q HN 0.355 nan 8.270 nan 0.000 0.415 636 A N 0.492 123.250 122.820 -0.104 0.000 1.948 636 A HA -0.212 4.108 4.320 0.000 0.000 0.220 636 A C 1.935 179.514 177.584 -0.008 0.000 1.177 636 A CA 1.638 53.654 52.037 -0.035 0.000 0.636 636 A CB -0.903 18.089 19.000 -0.014 0.000 0.815 636 A HN 0.422 nan 8.150 nan 0.000 0.449 637 F N 0.298 120.091 119.950 -0.262 0.000 2.069 637 F HA -0.171 4.356 4.527 0.000 0.000 0.298 637 F C 1.843 177.605 175.800 -0.064 0.000 1.113 637 F CA 1.519 59.398 58.000 -0.201 0.000 1.214 637 F CB -0.670 38.145 39.000 -0.309 0.000 0.978 637 F HN 0.206 nan 8.300 nan 0.000 0.474 638 F N 1.465 121.257 119.950 -0.262 0.000 2.126 638 F HA -0.195 4.332 4.527 0.000 0.000 0.299 638 F C 2.397 178.079 175.800 -0.196 0.000 1.096 638 F CA 1.387 59.162 58.000 -0.375 0.000 1.255 638 F CB -1.707 37.190 39.000 -0.171 0.000 0.997 638 F HN 0.046 nan 8.300 nan 0.000 0.479 639 D N -0.063 120.388 120.400 0.084 0.000 2.116 639 D HA -0.212 4.428 4.640 0.000 0.000 0.193 639 D C 2.339 178.670 176.300 0.052 0.000 0.998 639 D CA 1.425 55.463 54.000 0.063 0.000 0.836 639 D CB -0.663 40.170 40.800 0.055 0.000 0.951 639 D HN 0.294 nan 8.370 nan 0.000 0.449 640 Q N 0.708 120.534 119.800 0.044 0.000 2.061 640 Q HA -0.169 4.171 4.340 0.000 0.000 0.204 640 Q C 2.375 178.441 176.000 0.111 0.000 0.984 640 Q CA 1.110 56.957 55.803 0.073 0.000 0.846 640 Q CB -0.453 28.336 28.738 0.084 0.000 0.902 640 Q HN 0.358 nan 8.270 nan 0.000 0.421 641 I N 0.822 121.420 120.570 0.047 0.000 2.208 641 I HA -0.220 3.950 4.170 0.000 0.000 0.245 641 I C 2.496 178.773 176.117 0.266 0.000 1.097 641 I CA 1.243 62.635 61.300 0.154 0.000 1.363 641 I CB -0.745 37.155 38.000 -0.167 0.000 1.051 641 I HN 0.337 nan 8.210 nan 0.000 0.413 642 G N 0.471 109.330 108.800 0.099 0.000 2.469 642 G HA2 -0.350 3.610 3.960 0.000 0.000 0.219 642 G HA3 -0.350 3.610 3.960 0.000 0.000 0.219 642 G C 1.807 176.750 174.900 0.072 0.000 1.150 642 G CA 1.337 46.471 45.100 0.056 0.000 0.763 642 G HN 0.520 nan 8.290 nan 0.000 0.561 643 S N 0.301 116.056 115.700 0.091 0.000 2.368 643 S HA 0.007 4.477 4.470 0.000 0.000 0.225 643 S C 2.364 177.018 174.600 0.090 0.000 1.030 643 S CA 1.342 59.592 58.200 0.084 0.000 0.999 643 S CB -0.374 62.869 63.200 0.072 0.000 0.844 643 S HN 0.272 nan 8.310 nan 0.000 0.459 644 L N -1.188 120.120 121.223 0.141 0.000 2.209 644 L HA 0.306 4.646 4.340 0.000 0.000 0.207 644 L C 1.074 177.848 176.870 -0.161 0.000 1.094 644 L CA 0.451 55.339 54.840 0.081 0.000 0.790 644 L CB 0.091 42.321 42.059 0.286 0.000 0.932 644 L HN 0.595 nan 8.230 nan 0.000 0.447 645 W N 2.389 123.350 121.300 -0.565 0.000 2.409 645 W HA 0.261 4.921 4.660 0.000 0.000 0.285 645 W C -2.542 173.826 176.519 -0.250 0.000 1.030 645 W CA -2.105 54.844 57.345 -0.660 0.000 1.330 645 W CB 1.502 30.193 29.460 -1.282 0.000 1.236 645 W HN -0.230 nan 8.180 nan 0.000 0.341 646 P HA 0.036 nan 4.420 nan 0.000 0.252 646 P C 0.825 177.683 177.300 -0.737 0.000 1.694 646 P CA 0.528 63.530 63.100 -0.163 0.000 1.163 646 P CB -0.254 31.441 31.700 -0.008 0.000 1.934 647 G N 5.107 113.144 108.800 -1.272 0.000 2.209 647 G HA2 0.059 4.019 3.960 0.000 0.000 0.271 647 G HA3 0.059 4.019 3.960 0.000 0.000 0.271 647 G C 0.541 174.976 174.900 -0.774 0.000 1.111 647 G CA -0.212 43.913 45.100 -1.623 0.000 1.092 647 G HN 0.595 nan 8.290 nan 0.000 0.416 648 K N 0.000 120.030 120.400 -0.617 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.136 56.287 -0.252 0.000 0.838 648 K CB 0.000 32.415 32.500 -0.142 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543