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_O 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 0.000 174.608 174.700 -0.154 0.000 1.109 10 T CA 0.000 62.023 62.100 -0.128 0.000 1.349 10 T CB 0.000 68.729 68.868 -0.231 0.000 0.612 11 Y N 2.269 122.594 120.300 0.043 0.000 2.360 11 Y HA 0.671 5.221 4.550 0.000 0.000 0.337 11 Y C 0.276 176.179 175.900 0.006 0.000 1.039 11 Y CA -1.474 56.644 58.100 0.030 0.000 1.109 11 Y CB 0.461 38.948 38.460 0.045 0.000 1.201 11 Y HN 0.773 nan 8.280 nan 0.000 0.458 12 N N 3.810 122.519 118.700 0.014 0.000 2.256 12 N HA -0.141 4.599 4.740 0.000 0.000 0.277 12 N C 0.933 176.473 175.510 0.050 0.000 1.362 12 N CA 0.498 53.546 53.050 -0.003 0.000 0.861 12 N CB 0.343 38.834 38.487 0.006 0.000 1.136 12 N HN 0.881 nan 8.380 nan 0.000 0.492 13 I N 1.122 121.634 120.570 -0.096 0.000 2.493 13 I HA -0.068 4.102 4.170 0.000 0.000 0.254 13 I C 1.275 177.199 176.117 -0.323 0.000 1.160 13 I CA 0.935 62.083 61.300 -0.253 0.000 1.445 13 I CB -0.618 37.055 38.000 -0.545 0.000 1.086 13 I HN 0.549 nan 8.210 nan 0.000 0.433 14 T N -0.542 113.896 114.554 -0.194 0.000 3.624 14 T HA 0.598 4.948 4.350 0.000 0.000 0.231 14 T C 0.494 175.132 174.700 -0.104 0.000 0.865 14 T CA -0.161 61.842 62.100 -0.162 0.000 0.926 14 T CB -0.989 67.806 68.868 -0.121 0.000 1.189 14 T HN 0.484 nan 8.240 nan 0.000 0.640 15 G N 0.743 109.484 108.800 -0.098 0.000 2.788 15 G HA2 0.623 4.583 3.960 0.000 0.000 0.293 15 G HA3 0.623 4.583 3.960 0.000 0.000 0.293 15 G C -1.344 173.524 174.900 -0.053 0.000 1.305 15 G CA -0.958 44.111 45.100 -0.052 0.000 1.005 15 G HN 0.510 nan 8.290 nan 0.000 0.496 16 D N -1.790 118.595 120.400 -0.024 0.000 2.252 16 D HA 0.533 5.173 4.640 0.000 0.000 0.245 16 D C 0.689 176.995 176.300 0.010 0.000 1.009 16 D CA -0.053 53.940 54.000 -0.011 0.000 0.870 16 D CB 1.796 42.590 40.800 -0.011 0.000 1.251 16 D HN 1.343 nan 8.370 nan 0.000 0.460 17 G N 2.205 111.022 108.800 0.029 0.000 2.316 17 G HA2 -0.252 3.708 3.960 0.000 0.000 0.203 17 G HA3 -0.252 3.708 3.960 0.000 0.000 0.203 17 G C 0.046 174.999 174.900 0.089 0.000 0.999 17 G CA -0.064 45.063 45.100 0.046 0.000 0.649 17 G HN 0.853 nan 8.290 nan 0.000 0.489 18 N N 1.423 120.201 118.700 0.130 0.000 2.434 18 N HA 0.407 5.147 4.740 0.000 0.000 0.268 18 N C -0.011 175.762 175.510 0.437 0.000 1.256 18 N CA 0.824 54.041 53.050 0.280 0.000 0.914 18 N CB 1.293 39.936 38.487 0.260 0.000 1.088 18 N HN 0.303 nan 8.380 nan 0.000 0.478 19 S N 2.484 118.379 115.700 0.325 0.000 2.548 19 S HA 0.303 4.773 4.470 0.000 0.000 0.277 19 S C -0.865 173.724 174.600 -0.019 0.000 1.315 19 S CA -0.776 57.525 58.200 0.169 0.000 1.050 19 S CB -0.274 62.957 63.200 0.051 0.000 0.918 19 S HN 0.546 nan 8.310 nan 0.000 0.497 20 F N 5.236 124.992 119.950 -0.323 0.000 2.366 20 F HA 0.379 4.906 4.527 0.000 0.000 0.357 20 F C 0.254 175.799 175.800 -0.425 0.000 1.107 20 F CA -0.531 57.054 58.000 -0.693 0.000 1.208 20 F CB 0.569 39.110 39.000 -0.765 0.000 1.464 20 F HN 0.560 nan 8.300 nan 0.000 0.501 21 T N 2.950 117.208 114.554 -0.494 0.000 3.250 21 T HA 0.404 4.754 4.350 0.000 0.000 0.391 21 T C -3.001 171.419 174.700 -0.466 0.000 1.502 21 T CA -2.308 59.550 62.100 -0.404 0.000 1.320 21 T CB 0.558 69.306 68.868 -0.200 0.000 1.102 21 T HN 0.256 nan 8.240 nan 0.000 0.610 22 P HA 0.256 nan 4.420 nan 0.000 0.276 22 P C -0.100 177.058 177.300 -0.238 0.000 1.264 22 P CA 0.185 63.019 63.100 -0.442 0.000 0.769 22 P CB 0.570 31.945 31.700 -0.542 0.000 0.840 23 T N -1.308 113.140 114.554 -0.176 0.000 2.893 23 T HA 0.312 4.662 4.350 0.000 0.000 0.291 23 T C 1.371 176.024 174.700 -0.077 0.000 1.028 23 T CA -0.469 61.567 62.100 -0.106 0.000 0.995 23 T CB 1.184 69.997 68.868 -0.092 0.000 1.051 23 T HN 0.222 nan 8.240 nan 0.000 0.470 24 S N 0.515 116.186 115.700 -0.049 0.000 2.402 24 S HA -0.241 4.229 4.470 0.000 0.000 0.233 24 S C 1.509 176.094 174.600 -0.025 0.000 1.030 24 S CA 1.499 59.681 58.200 -0.030 0.000 1.003 24 S CB -0.781 62.408 63.200 -0.017 0.000 0.813 24 S HN 0.858 nan 8.310 nan 0.000 0.477 25 D N 1.126 121.505 120.400 -0.036 0.000 2.149 25 D HA -0.090 4.550 4.640 0.000 0.000 0.198 25 D C 0.869 177.144 176.300 -0.042 0.000 0.990 25 D CA 1.006 54.983 54.000 -0.038 0.000 0.839 25 D CB -0.030 40.745 40.800 -0.041 0.000 0.948 25 D HN 0.458 nan 8.370 nan 0.000 0.460 26 M N 0.882 120.448 119.600 -0.057 0.000 3.043 26 M HA 0.119 4.599 4.480 0.000 0.000 0.309 26 M C -0.622 175.651 176.300 -0.044 0.000 1.202 26 M CA -0.190 55.070 55.300 -0.067 0.000 0.869 26 M CB 1.495 34.023 32.600 -0.121 0.000 1.327 26 M HN -0.315 nan 8.290 nan 0.000 0.524 27 T N 1.046 115.591 114.554 -0.016 0.000 2.750 27 T HA 0.132 4.482 4.350 0.000 0.000 0.286 27 T C 0.665 175.391 174.700 0.043 0.000 0.911 27 T CA 0.086 62.188 62.100 0.003 0.000 1.130 27 T CB 0.009 68.885 68.868 0.013 0.000 0.873 27 T HN 0.467 nan 8.240 nan 0.000 0.536 28 S N 2.978 118.715 115.700 0.061 0.000 2.783 28 S HA 0.015 4.485 4.470 0.000 0.000 0.337 28 S C 0.692 175.366 174.600 0.122 0.000 1.227 28 S CA 0.315 58.620 58.200 0.174 0.000 0.994 28 S CB 0.081 63.350 63.200 0.116 0.000 0.647 28 S HN 0.933 nan 8.310 nan 0.000 0.442 29 T N -0.099 114.534 114.554 0.130 0.000 2.927 29 T HA 0.557 4.907 4.350 0.000 0.000 0.350 29 T C -1.064 173.663 174.700 0.046 0.000 1.746 29 T CA 0.141 62.295 62.100 0.090 0.000 1.081 29 T CB 0.790 69.698 68.868 0.066 0.000 1.551 29 T HN 1.160 nan 8.240 nan 0.000 0.489 30 A N 1.537 124.382 122.820 0.041 0.000 2.548 30 A HA 1.002 5.322 4.320 0.000 0.000 0.282 30 A C -0.811 176.790 177.584 0.027 0.000 1.288 30 A CA -0.205 51.836 52.037 0.008 0.000 0.748 30 A CB 0.855 19.870 19.000 0.026 0.000 1.339 30 A HN 1.613 nan 8.150 nan 0.000 0.475 31 A N 0.638 123.476 122.820 0.029 0.000 2.511 31 A HA 0.629 4.949 4.320 0.000 0.000 0.340 31 A C -1.864 175.756 177.584 0.059 0.000 1.396 31 A CA -1.248 50.814 52.037 0.043 0.000 0.887 31 A CB -0.407 18.615 19.000 0.037 0.000 1.145 31 A HN 0.439 nan 8.150 nan 0.000 0.497 32 P HA 0.107 nan 4.420 nan 0.000 0.213 32 P C 0.519 177.852 177.300 0.054 0.000 1.170 32 P CA 1.743 64.885 63.100 0.069 0.000 0.889 32 P CB 0.326 32.065 31.700 0.065 0.000 0.782 33 A N -1.282 121.562 122.820 0.041 0.000 2.594 33 A HA 0.636 4.956 4.320 0.000 0.000 0.295 33 A C -1.152 176.451 177.584 0.033 0.000 1.071 33 A CA -0.591 51.465 52.037 0.032 0.000 0.685 33 A CB 0.777 19.794 19.000 0.028 0.000 1.285 33 A HN 0.062 nan 8.150 nan 0.000 0.405 34 I N -1.687 118.905 120.570 0.037 0.000 2.797 34 I HA 0.699 4.869 4.170 0.000 0.000 0.307 34 I C -0.309 175.836 176.117 0.046 0.000 1.033 34 I CA -0.852 60.476 61.300 0.047 0.000 1.071 34 I CB 1.234 39.276 38.000 0.071 0.000 1.255 34 I HN 0.484 nan 8.210 nan 0.000 0.445 35 D N 2.536 122.955 120.400 0.031 0.000 2.434 35 D HA 0.187 4.827 4.640 0.000 0.000 0.252 35 D C -0.355 175.968 176.300 0.038 0.000 1.185 35 D CA 0.573 54.586 54.000 0.022 0.000 0.886 35 D CB 0.537 41.336 40.800 -0.002 0.000 1.148 35 D HN 0.666 nan 8.370 nan 0.000 0.483 36 L N 3.933 125.180 121.223 0.040 0.000 3.186 36 L HA 0.266 4.606 4.340 0.000 0.000 0.292 36 L C 0.040 176.925 176.870 0.025 0.000 1.303 36 L CA -0.457 54.413 54.840 0.051 0.000 0.940 36 L CB -0.076 42.030 42.059 0.078 0.000 1.358 36 L HN 0.230 nan 8.230 nan 0.000 0.581 37 K N 0.488 120.893 120.400 0.008 0.000 2.350 37 K HA 0.202 4.522 4.320 0.000 0.000 0.279 37 K C -1.621 174.979 176.600 -0.001 0.000 1.027 37 K CA -1.285 55.003 56.287 0.002 0.000 0.969 37 K CB 1.264 33.761 32.500 -0.005 0.000 0.954 37 K HN -0.005 nan 8.250 nan 0.000 0.474 38 P HA -0.189 nan 4.420 nan 0.000 0.215 38 P C 0.993 178.291 177.300 -0.004 0.000 1.157 38 P CA 1.617 64.717 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 -0.500 108.298 108.800 -0.004 0.000 2.547 39 G HA2 -0.302 3.658 3.960 0.000 0.000 0.221 39 G HA3 -0.302 3.658 3.960 0.000 0.000 0.221 39 G C 1.618 176.510 174.900 -0.012 0.000 1.140 39 G CA 1.099 46.195 45.100 -0.005 0.000 0.760 39 G HN 0.224 nan 8.290 nan 0.000 0.583 40 V N 0.556 120.459 119.914 -0.019 0.000 2.871 40 V HA 0.037 4.157 4.120 0.000 0.000 0.256 40 V C 2.796 178.857 176.094 -0.054 0.000 1.082 40 V CA 0.933 63.212 62.300 -0.035 0.000 1.105 40 V CB -0.053 31.748 31.823 -0.037 0.000 0.713 40 V HN 0.359 nan 8.190 nan 0.000 0.473 41 L N 0.327 121.525 121.223 -0.042 0.000 2.187 41 L HA -0.193 4.147 4.340 0.000 0.000 0.213 41 L C 2.315 179.152 176.870 -0.055 0.000 1.100 41 L CA 1.674 56.481 54.840 -0.055 0.000 0.765 41 L CB -0.795 41.249 42.059 -0.024 0.000 0.904 41 L HN 0.473 nan 8.230 nan 0.000 0.437 42 N N 0.531 119.214 118.700 -0.028 0.000 2.004 42 N HA -0.110 4.630 4.740 0.000 0.000 0.196 42 N C -1.433 174.075 175.510 -0.003 0.000 1.064 42 N CA 0.572 53.616 53.050 -0.009 0.000 0.855 42 N CB -0.911 37.582 38.487 0.012 0.000 1.056 42 N HN 0.044 nan 8.380 nan 0.000 0.423 43 P HA -0.141 nan 4.420 nan 0.000 0.191 43 P C -0.491 176.855 177.300 0.077 0.000 0.906 43 P CA 0.957 64.083 63.100 0.043 0.000 1.011 43 P CB -0.106 31.614 31.700 0.034 0.000 1.090 44 T N 0.910 115.534 114.554 0.117 0.000 3.553 44 T HA 0.213 4.563 4.350 0.000 0.000 0.144 44 T C 0.355 175.143 174.700 0.146 0.000 0.676 44 T CA 0.484 62.652 62.100 0.114 0.000 0.824 44 T CB -0.687 68.248 68.868 0.111 0.000 0.880 44 T HN 0.231 nan 8.240 nan 0.000 0.260 45 G N 3.171 112.089 108.800 0.197 0.000 2.313 45 G HA2 0.438 4.398 3.960 0.000 0.000 0.250 45 G HA3 0.438 4.398 3.960 0.000 0.000 0.250 45 G C -0.299 174.752 174.900 0.252 0.000 1.281 45 G CA 0.135 45.379 45.100 0.240 0.000 0.917 45 G HN 0.559 nan 8.290 nan 0.000 0.501 46 K N 2.286 122.832 120.400 0.244 0.000 2.237 46 K HA 0.327 4.647 4.320 0.000 0.000 0.270 46 K C -0.157 176.521 176.600 0.129 0.000 1.015 46 K CA -0.603 55.739 56.287 0.093 0.000 0.949 46 K CB 0.983 33.419 32.500 -0.108 0.000 0.976 46 K HN 0.332 nan 8.250 nan 0.000 0.472 47 L N 5.014 126.259 121.223 0.037 0.000 2.290 47 L HA 0.415 4.755 4.340 0.000 0.000 0.284 47 L C -1.124 175.764 176.870 0.029 0.000 1.078 47 L CA -0.018 54.912 54.840 0.150 0.000 0.815 47 L CB 0.239 42.408 42.059 0.183 0.000 1.162 47 L HN 0.688 nan 8.230 nan 0.000 0.435 48 W N 4.327 125.698 121.300 0.118 0.000 3.307 48 W HA 0.730 5.390 4.660 0.000 0.000 0.325 48 W C -0.613 176.019 176.519 0.189 0.000 1.255 48 W CA -0.822 56.585 57.345 0.104 0.000 1.006 48 W CB 0.780 30.294 29.460 0.090 0.000 1.608 48 W HN 0.130 nan 8.180 nan 0.000 0.620 49 R N 0.598 121.338 120.500 0.400 0.000 2.604 49 R HA 0.256 4.596 4.340 0.000 0.000 0.270 49 R C -2.775 173.558 176.300 0.054 0.000 1.052 49 R CA -2.532 53.733 56.100 0.275 0.000 0.902 49 R CB 0.964 31.366 30.300 0.170 0.000 1.233 49 R HN 0.063 nan 8.270 nan 0.000 0.455 50 P HA 0.017 nan 4.420 nan 0.000 0.244 50 P C 0.458 177.740 177.300 -0.030 0.000 1.723 50 P CA 0.383 63.418 63.100 -0.108 0.000 1.110 50 P CB 0.093 31.744 31.700 -0.083 0.000 1.972 51 V N 1.747 121.644 119.914 -0.029 0.000 0.588 51 V HA -0.374 3.746 4.120 0.000 0.000 0.092 51 V C 1.730 177.834 176.094 0.016 0.000 1.830 51 V CA 2.563 64.861 62.300 -0.004 0.000 3.401 51 V CB -2.314 29.502 31.823 -0.012 0.000 0.689 51 V HN 0.593 nan 8.190 nan 0.000 0.712 52 G N -1.930 106.882 108.800 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 0.176 175.093 174.900 0.029 0.000 0.849 52 G CA 0.891 46.008 45.100 0.028 0.000 0.857 52 G HN 1.482 nan 8.290 nan 0.000 0.484 53 T N 0.954 115.521 114.554 0.021 0.000 2.698 53 T HA 0.533 4.883 4.350 0.000 0.000 0.295 53 T C 1.417 176.136 174.700 0.031 0.000 1.007 53 T CA 0.737 62.850 62.100 0.021 0.000 0.980 53 T CB 0.856 69.731 68.868 0.012 0.000 1.036 53 T HN 1.074 nan 8.240 nan 0.000 0.526 54 S N -0.471 115.246 115.700 0.029 0.000 2.650 54 S HA 0.174 4.644 4.470 0.000 0.000 0.251 54 S C 0.376 175.001 174.600 0.041 0.000 1.325 54 S CA -0.933 57.288 58.200 0.035 0.000 0.967 54 S CB -0.354 62.861 63.200 0.025 0.000 1.000 54 S HN 0.685 nan 8.310 nan 0.000 0.584 55 V N 1.529 121.471 119.914 0.045 0.000 2.287 55 V HA 0.532 4.652 4.120 0.000 0.000 0.246 55 V C 0.877 176.991 176.094 0.033 0.000 1.165 55 V CA 0.661 62.994 62.300 0.055 0.000 1.088 55 V CB -0.973 30.887 31.823 0.062 0.000 1.242 55 V HN 1.048 nan 8.190 nan 0.000 0.497 56 A N 3.346 126.179 122.820 0.022 0.000 1.519 56 A HA 0.086 4.406 4.320 0.000 0.000 0.210 56 A C 1.630 179.205 177.584 -0.014 0.000 1.889 56 A CA 0.598 52.638 52.037 0.005 0.000 1.478 56 A CB -0.024 18.977 19.000 0.003 0.000 1.432 56 A HN 0.595 nan 8.150 nan 0.000 0.340 57 T N 0.652 115.193 114.554 -0.022 0.000 3.541 57 T HA 0.120 4.470 4.350 0.000 0.000 0.255 57 T C 1.424 176.061 174.700 -0.104 0.000 1.158 57 T CA 0.850 62.919 62.100 -0.051 0.000 1.000 57 T CB -1.083 67.759 68.868 -0.043 0.000 1.008 57 T HN 0.377 nan 8.240 nan 0.000 0.568 58 I N 2.931 123.435 120.570 -0.110 0.000 2.229 58 I HA -0.338 3.832 4.170 0.000 0.000 0.250 58 I C 2.699 178.687 176.117 -0.215 0.000 1.096 58 I CA 1.988 63.177 61.300 -0.186 0.000 1.358 58 I CB -0.712 37.242 38.000 -0.078 0.000 1.047 58 I HN 0.467 nan 8.210 nan 0.000 0.422 59 D N 0.312 120.630 120.400 -0.136 0.000 2.239 59 D HA -0.156 4.484 4.640 0.000 0.000 0.202 59 D C 0.664 176.877 176.300 -0.145 0.000 0.993 59 D CA 1.068 54.993 54.000 -0.125 0.000 0.874 59 D CB -0.126 40.626 40.800 -0.081 0.000 0.922 59 D HN 0.360 nan 8.370 nan 0.000 0.464 60 S N -0.275 115.330 115.700 -0.159 0.000 2.561 60 S HA 0.572 5.042 4.470 0.000 0.000 0.303 60 S C -0.373 174.119 174.600 -0.181 0.000 1.110 60 S CA -0.853 57.265 58.200 -0.137 0.000 1.034 60 S CB 1.907 65.061 63.200 -0.076 0.000 1.010 60 S HN 0.168 nan 8.310 nan 0.000 0.482 61 L N 2.178 123.299 121.223 -0.169 0.000 2.386 61 L HA 0.874 5.214 4.340 0.000 0.000 0.271 61 L C -0.184 176.827 176.870 0.235 0.000 0.993 61 L CA -1.029 53.773 54.840 -0.062 0.000 0.819 61 L CB 1.784 43.679 42.059 -0.273 0.000 1.294 61 L HN 0.664 nan 8.230 nan 0.000 0.414 62 A N 3.046 126.018 122.820 0.254 0.000 2.304 62 A HA 0.760 5.080 4.320 0.000 0.000 0.323 62 A C -0.216 177.485 177.584 0.196 0.000 1.195 62 A CA -0.638 51.533 52.037 0.223 0.000 0.826 62 A CB 0.597 19.640 19.000 0.071 0.000 1.184 62 A HN 0.718 nan 8.150 nan 0.000 0.496 63 I N 1.968 122.491 120.570 -0.079 0.000 2.710 63 I HA 0.340 4.510 4.170 0.000 0.000 0.286 63 I C 0.865 176.827 176.117 -0.259 0.000 1.181 63 I CA -0.597 60.481 61.300 -0.369 0.000 1.430 63 I CB -0.266 37.302 38.000 -0.720 0.000 1.367 63 I HN 0.599 nan 8.210 nan 0.000 0.577 64 V N 2.472 122.237 119.914 -0.249 0.000 3.803 64 V HA 0.009 4.129 4.120 0.000 0.000 0.300 64 V C 0.935 176.768 176.094 -0.435 0.000 1.111 64 V CA -0.004 62.136 62.300 -0.267 0.000 1.189 64 V CB 0.599 32.310 31.823 -0.187 0.000 1.118 64 V HN 1.003 nan 8.190 nan 0.000 0.486 65 S N 1.235 116.642 115.700 -0.488 0.000 3.517 65 S HA 0.108 4.578 4.470 0.000 0.000 0.284 65 S C 0.969 175.056 174.600 -0.855 0.000 1.260 65 S CA 0.018 57.840 58.200 -0.630 0.000 0.975 65 S CB -1.185 61.657 63.200 -0.597 0.000 1.540 65 S HN 1.030 nan 8.310 nan 0.000 0.506 66 D N 4.391 124.272 120.400 -0.865 0.000 2.218 66 D HA -0.204 4.436 4.640 0.000 0.000 0.204 66 D C 1.705 177.609 176.300 -0.660 0.000 0.976 66 D CA 0.715 54.049 54.000 -1.110 0.000 0.853 66 D CB -0.284 40.041 40.800 -0.791 0.000 0.939 66 D HN 0.521 nan 8.370 nan 0.000 0.481 67 R N -0.238 119.896 120.500 -0.610 0.000 2.224 67 R HA -0.235 4.105 4.340 0.000 0.000 0.255 67 R C 1.064 177.126 176.300 -0.395 0.000 1.130 67 R CA 2.632 58.398 56.100 -0.556 0.000 0.957 67 R CB -0.457 29.386 30.300 -0.762 0.000 0.907 67 R HN 0.516 nan 8.270 nan 0.000 0.446 68 F N -4.995 114.919 119.950 -0.061 0.000 3.083 68 F HA 0.549 5.076 4.527 0.000 0.000 0.355 68 F C 0.148 175.999 175.800 0.085 0.000 1.194 68 F CA -0.146 57.872 58.000 0.029 0.000 1.027 68 F CB 0.178 39.189 39.000 0.018 0.000 1.386 68 F HN 0.082 nan 8.300 nan 0.000 0.513 69 G N -0.030 108.721 108.800 -0.081 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 -1.382 173.026 174.900 -0.819 0.000 1.192 69 G CA -0.719 44.345 45.100 -0.059 0.000 1.063 69 G HN -0.031 nan 8.290 nan 0.000 0.538 70 Q N 0.711 119.495 119.800 -1.693 0.000 3.970 70 Q HA -0.036 4.304 4.340 0.000 0.000 0.367 70 Q C -0.808 174.632 176.000 -0.934 0.000 1.189 70 Q CA 0.972 55.718 55.803 -1.763 0.000 1.212 70 Q CB -1.009 27.237 28.738 -0.819 0.000 1.037 70 Q HN 0.451 nan 8.270 nan 0.000 0.474 71 Y N -0.812 119.082 120.300 -0.676 0.000 2.780 71 Y HA 0.413 4.963 4.550 0.000 0.000 0.340 71 Y C 1.282 177.187 175.900 0.009 0.000 1.216 71 Y CA -1.172 56.835 58.100 -0.155 0.000 1.245 71 Y CB 0.617 39.092 38.460 0.024 0.000 1.492 71 Y HN 0.240 nan 8.280 nan 0.000 0.660 72 S N 0.648 116.489 115.700 0.236 0.000 2.559 72 S HA -0.065 4.405 4.470 0.000 0.000 0.282 72 S C -0.608 174.049 174.600 0.095 0.000 1.336 72 S CA -0.429 57.858 58.200 0.145 0.000 1.037 72 S CB -0.224 63.040 63.200 0.107 0.000 0.853 72 S HN 0.360 nan 8.310 nan 0.000 0.523 73 F N 3.115 123.148 119.950 0.139 0.000 2.539 73 F HA 0.041 4.568 4.527 0.000 0.000 0.393 73 F C 0.312 176.154 175.800 0.071 0.000 1.032 73 F CA -0.035 58.029 58.000 0.106 0.000 1.120 73 F CB -0.193 38.859 39.000 0.087 0.000 1.014 73 F HN 0.219 nan 8.300 nan 0.000 0.546 74 V N 5.842 125.058 119.914 -1.165 0.000 2.763 74 V HA -0.129 3.991 4.120 0.000 0.000 0.306 74 V C 0.709 176.599 176.094 -0.339 0.000 1.059 74 V CA -0.564 61.385 62.300 -0.584 0.000 1.138 74 V CB 0.347 31.886 31.823 -0.473 0.000 0.940 74 V HN 0.675 nan 8.190 nan 0.000 0.489 75 N N 3.380 121.968 118.700 -0.186 0.000 2.399 75 N HA -0.054 4.686 4.740 0.000 0.000 0.284 75 N C 1.257 176.699 175.510 -0.112 0.000 1.283 75 N CA 0.509 53.490 53.050 -0.114 0.000 0.972 75 N CB 0.010 38.410 38.487 -0.145 0.000 1.328 75 N HN 0.837 nan 8.380 nan 0.000 0.486 76 E N 2.548 122.740 120.200 -0.014 0.000 2.217 76 E HA -0.291 4.059 4.350 0.000 0.000 0.219 76 E C 1.373 177.932 176.600 -0.068 0.000 1.070 76 E CA 1.981 58.380 56.400 -0.002 0.000 0.889 76 E CB -0.126 29.610 29.700 0.059 0.000 0.768 76 E HN 0.782 nan 8.360 nan 0.000 0.465 77 G N 0.488 109.232 108.800 -0.094 0.000 2.394 77 G HA2 -0.245 3.715 3.960 0.000 0.000 0.215 77 G HA3 -0.245 3.715 3.960 0.000 0.000 0.215 77 G C 1.491 176.248 174.900 -0.238 0.000 1.165 77 G CA 0.715 45.737 45.100 -0.131 0.000 0.784 77 G HN 0.268 nan 8.290 nan 0.000 0.535 78 M N 1.154 120.560 119.600 -0.323 0.000 2.132 78 M HA -0.068 4.412 4.480 0.000 0.000 0.263 78 M C 2.864 178.812 176.300 -0.586 0.000 1.065 78 M CA 1.706 56.634 55.300 -0.620 0.000 1.122 78 M CB -0.143 32.101 32.600 -0.594 0.000 1.365 78 M HN 0.354 nan 8.290 nan 0.000 0.411 79 R N 0.046 120.359 120.500 -0.312 0.000 2.094 79 R HA -0.192 4.148 4.340 0.000 0.000 0.239 79 R C 1.736 177.946 176.300 -0.150 0.000 1.137 79 R CA 2.054 58.041 56.100 -0.188 0.000 0.943 79 R CB -1.193 29.032 30.300 -0.125 0.000 0.850 79 R HN 0.499 nan 8.270 nan 0.000 0.433 80 E N 0.700 120.813 120.200 -0.145 0.000 2.051 80 E HA -0.173 4.177 4.350 0.000 0.000 0.192 80 E C 2.294 178.810 176.600 -0.140 0.000 0.991 80 E CA 2.060 58.390 56.400 -0.117 0.000 0.799 80 E CB -0.231 29.419 29.700 -0.082 0.000 0.748 80 E HN 0.666 nan 8.360 nan 0.000 0.449 81 T N 0.184 114.641 114.554 -0.161 0.000 2.607 81 T HA -0.202 4.148 4.350 0.000 0.000 0.267 81 T C 1.824 176.549 174.700 0.041 0.000 1.049 81 T CA 1.262 63.298 62.100 -0.106 0.000 1.162 81 T CB -0.641 68.135 68.868 -0.155 0.000 0.863 81 T HN -0.028 nan 8.240 nan 0.000 0.424 82 F N 1.969 121.810 119.950 -0.183 0.000 2.120 82 F HA -0.009 4.518 4.527 0.000 0.000 0.300 82 F C 3.213 178.839 175.800 -0.291 0.000 1.095 82 F CA 0.471 58.343 58.000 -0.213 0.000 1.249 82 F CB -1.659 37.222 39.000 -0.197 0.000 0.995 82 F HN 0.319 nan 8.300 nan 0.000 0.480 83 S N -0.135 115.467 115.700 -0.164 0.000 2.370 83 S HA -0.172 4.298 4.470 0.000 0.000 0.226 83 S C 2.219 176.238 174.600 -0.969 0.000 1.033 83 S CA 1.151 59.085 58.200 -0.442 0.000 1.011 83 S CB -0.118 62.872 63.200 -0.350 0.000 0.852 83 S HN 0.156 nan 8.310 nan 0.000 0.457 84 K N 1.667 121.628 120.400 -0.731 0.000 2.063 84 K HA 0.038 4.358 4.320 0.000 0.000 0.208 84 K C 2.378 178.780 176.600 -0.329 0.000 1.048 84 K CA 1.320 57.222 56.287 -0.642 0.000 0.928 84 K CB -1.299 31.068 32.500 -0.221 0.000 0.713 84 K HN 0.458 nan 8.250 nan 0.000 0.442 85 A N 1.677 124.377 122.820 -0.199 0.000 1.883 85 A HA -0.174 4.146 4.320 0.000 0.000 0.217 85 A C 2.245 179.767 177.584 -0.104 0.000 1.186 85 A CA 1.531 53.504 52.037 -0.106 0.000 0.624 85 A CB -0.702 18.235 19.000 -0.105 0.000 0.822 85 A HN 0.233 nan 8.150 nan 0.000 0.444 86 L N -0.704 120.417 121.223 -0.170 0.000 2.127 86 L HA -0.120 4.220 4.340 0.000 0.000 0.211 86 L C 2.183 179.114 176.870 0.101 0.000 1.089 86 L CA 1.694 56.489 54.840 -0.075 0.000 0.757 86 L CB -0.701 41.299 42.059 -0.099 0.000 0.899 86 L HN 0.498 nan 8.230 nan 0.000 0.434 87 F N -0.517 119.411 119.950 -0.037 0.000 2.186 87 F HA -0.229 4.298 4.527 0.000 0.000 0.299 87 F C 2.070 177.844 175.800 -0.042 0.000 1.090 87 F CA 0.490 58.465 58.000 -0.042 0.000 1.307 87 F CB -0.514 38.460 39.000 -0.043 0.000 1.019 87 F HN 0.167 nan 8.300 nan 0.000 0.489 88 D N 1.165 121.656 120.400 0.152 0.000 2.154 88 D HA -0.240 4.400 4.640 0.000 0.000 0.190 88 D C 2.159 178.599 176.300 0.233 0.000 1.003 88 D CA 1.622 55.687 54.000 0.108 0.000 0.849 88 D CB -0.249 40.630 40.800 0.132 0.000 0.942 88 D HN 0.097 nan 8.370 nan 0.000 0.446 89 I N 0.737 121.425 120.570 0.197 0.000 2.286 89 I HA -0.208 3.962 4.170 0.000 0.000 0.248 89 I C 1.635 177.805 176.117 0.088 0.000 1.115 89 I CA 1.247 62.614 61.300 0.112 0.000 1.392 89 I CB -1.335 36.549 38.000 -0.193 0.000 1.065 89 I HN 0.155 nan 8.210 nan 0.000 0.418 90 N N 1.092 119.831 118.700 0.065 0.000 2.205 90 N HA -0.184 4.556 4.740 0.000 0.000 0.186 90 N C 1.825 177.368 175.510 0.055 0.000 1.015 90 N CA 1.089 54.165 53.050 0.042 0.000 0.862 90 N CB -0.242 38.267 38.487 0.038 0.000 0.986 90 N HN 0.389 nan 8.380 nan 0.000 0.429 91 M N -0.727 118.898 119.600 0.043 0.000 2.267 91 M HA -0.127 4.353 4.480 0.000 0.000 0.263 91 M C 0.784 177.133 176.300 0.081 0.000 1.063 91 M CA 1.248 56.503 55.300 -0.075 0.000 1.090 91 M CB -0.066 32.342 32.600 -0.321 0.000 1.392 91 M HN 0.284 nan 8.290 nan 0.000 0.422 92 W N 0.467 121.866 121.300 0.165 0.000 3.102 92 W HA 0.221 4.880 4.660 0.000 0.000 0.401 92 W C 1.541 178.247 176.519 0.311 0.000 1.070 92 W CA -0.337 57.190 57.345 0.303 0.000 1.921 92 W CB -0.404 29.388 29.460 0.555 0.000 1.118 92 W HN 0.413 nan 8.180 nan 0.000 0.647 93 Q N 1.569 121.572 119.800 0.337 0.000 2.096 93 Q HA -0.214 4.126 4.340 0.000 0.000 0.208 93 Q C -0.151 175.978 176.000 0.216 0.000 0.993 93 Q CA 2.377 58.312 55.803 0.219 0.000 0.862 93 Q CB -0.838 27.957 28.738 0.094 0.000 0.915 93 Q HN 0.022 nan 8.270 nan 0.000 0.416 94 P HA -0.175 nan 4.420 nan 0.000 0.218 94 P C 1.233 178.568 177.300 0.057 0.000 1.149 94 P CA 0.988 64.149 63.100 0.102 0.000 0.817 94 P CB 0.017 31.762 31.700 0.075 0.000 0.785 95 L N -1.411 119.867 121.223 0.092 0.000 2.068 95 L HA 0.080 4.420 4.340 0.000 0.000 0.204 95 L C 2.513 179.306 176.870 -0.128 0.000 1.076 95 L CA 1.405 56.166 54.840 -0.132 0.000 0.753 95 L CB -1.532 40.360 42.059 -0.279 0.000 0.910 95 L HN -0.264 nan 8.230 nan 0.000 0.439 96 F N 0.357 120.346 119.950 0.065 0.000 2.063 96 F HA -0.350 4.177 4.527 0.000 0.000 0.298 96 F C 2.738 178.563 175.800 0.041 0.000 1.109 96 F CA 2.257 60.351 58.000 0.157 0.000 1.212 96 F CB -0.564 38.554 39.000 0.198 0.000 0.973 96 F HN 0.206 nan 8.300 nan 0.000 0.480 97 Q N -0.653 119.280 119.800 0.222 0.000 2.112 97 Q HA -0.240 4.100 4.340 0.000 0.000 0.206 97 Q C 2.405 178.419 176.000 0.023 0.000 0.987 97 Q CA 1.699 57.566 55.803 0.107 0.000 0.858 97 Q CB -0.427 28.360 28.738 0.082 0.000 0.905 97 Q HN 0.471 nan 8.270 nan 0.000 0.420 98 A N 0.258 123.057 122.820 -0.035 0.000 1.969 98 A HA -0.141 4.179 4.320 0.000 0.000 0.218 98 A C 2.122 179.620 177.584 -0.144 0.000 1.169 98 A CA 1.677 53.654 52.037 -0.101 0.000 0.635 98 A CB -0.744 18.155 19.000 -0.168 0.000 0.810 98 A HN 0.541 nan 8.150 nan 0.000 0.445 99 T N -3.194 111.249 114.554 -0.184 0.000 3.163 99 T HA 0.077 4.427 4.350 0.000 0.000 0.260 99 T C 0.711 175.372 174.700 -0.065 0.000 1.156 99 T CA 0.824 62.820 62.100 -0.174 0.000 1.072 99 T CB -0.393 68.343 68.868 -0.221 0.000 0.937 99 T HN 0.420 nan 8.240 nan 0.000 0.528 100 K N 1.333 121.722 120.400 -0.019 0.000 2.975 100 K HA -0.144 4.176 4.320 0.000 0.000 0.257 100 K C 0.456 177.081 176.600 0.042 0.000 1.005 100 K CA 1.201 57.498 56.287 0.017 0.000 0.738 100 K CB -2.422 30.079 32.500 0.002 0.000 1.236 100 K HN 0.774 nan 8.250 nan 0.000 0.483 101 T N -2.766 111.833 114.554 0.076 0.000 3.256 101 T HA 0.438 4.788 4.350 0.000 0.000 0.237 101 T C 1.106 175.914 174.700 0.180 0.000 0.908 101 T CA -0.187 61.971 62.100 0.096 0.000 0.966 101 T CB 0.581 69.464 68.868 0.024 0.000 1.134 101 T HN 0.627 nan 8.240 nan 0.000 0.573 102 G N 0.316 109.192 108.800 0.128 0.000 2.283 102 G HA2 -0.367 3.593 3.960 0.000 0.000 0.280 102 G HA3 -0.367 3.593 3.960 0.000 0.000 0.280 102 G C 1.329 176.309 174.900 0.133 0.000 1.029 102 G CA 0.085 45.252 45.100 0.113 0.000 0.840 102 G HN 0.812 nan 8.290 nan 0.000 0.505 103 C N 0.229 119.639 119.300 0.184 0.000 2.396 103 C HA 0.123 4.583 4.460 0.000 0.000 0.279 103 C C 2.604 177.613 174.990 0.033 0.000 1.229 103 C CA 1.368 60.481 59.018 0.158 0.000 1.801 103 C CB -1.260 26.599 27.740 0.199 0.000 2.050 103 C HN 1.767 nan 8.230 nan 0.000 0.491 104 G N 3.402 112.229 108.800 0.045 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 -1.636 173.273 174.900 0.014 0.000 0.862 104 G CA -0.170 44.947 45.100 0.029 0.000 1.237 104 G HN 0.722 nan 8.290 nan 0.000 0.340 105 P HA -0.076 nan 4.420 nan 0.000 0.250 105 P C 1.424 178.744 177.300 0.033 0.000 1.161 105 P CA -0.069 63.035 63.100 0.006 0.000 0.863 105 P CB 0.453 32.162 31.700 0.015 0.000 0.827 106 I N 3.942 124.530 120.570 0.031 0.000 2.191 106 I HA -0.362 3.808 4.170 0.000 0.000 0.248 106 I C 1.197 177.385 176.117 0.118 0.000 1.061 106 I CA 1.969 63.313 61.300 0.074 0.000 1.329 106 I CB -0.763 37.259 38.000 0.037 0.000 1.024 106 I HN 0.428 nan 8.210 nan 0.000 0.423 107 V N -1.372 118.591 119.914 0.081 0.000 5.981 107 V HA -0.249 3.871 4.120 0.000 0.000 0.233 107 V C 0.892 177.055 176.094 0.116 0.000 0.653 107 V CA 0.555 62.910 62.300 0.092 0.000 0.677 107 V CB -2.120 29.753 31.823 0.083 0.000 0.632 107 V HN 0.357 nan 8.190 nan 0.000 0.464 108 L N 3.640 124.878 121.223 0.026 0.000 2.103 108 L HA -0.204 4.136 4.340 0.000 0.000 0.215 108 L C 2.801 179.686 176.870 0.026 0.000 1.080 108 L CA 3.097 57.895 54.840 -0.069 0.000 0.764 108 L CB -0.394 41.600 42.059 -0.108 0.000 0.890 108 L HN 1.238 nan 8.230 nan 0.000 0.435 109 S N -2.422 113.304 115.700 0.044 0.000 2.407 109 S HA -0.255 4.215 4.470 0.000 0.000 0.235 109 S C 1.975 176.615 174.600 0.067 0.000 1.036 109 S CA 1.571 59.797 58.200 0.043 0.000 1.013 109 S CB -0.913 62.313 63.200 0.043 0.000 0.820 109 S HN 0.534 nan 8.310 nan 0.000 0.476 110 S N 1.427 117.204 115.700 0.128 0.000 2.402 110 S HA 0.095 4.565 4.470 0.000 0.000 0.229 110 S C 1.344 176.009 174.600 0.108 0.000 1.021 110 S CA 1.143 59.406 58.200 0.105 0.000 0.974 110 S CB -0.528 62.729 63.200 0.095 0.000 0.800 110 S HN 0.584 nan 8.310 nan 0.000 0.484 111 F N 2.252 122.153 119.950 -0.081 0.000 2.206 111 F HA 0.015 4.542 4.527 0.000 0.000 0.298 111 F C 1.965 177.620 175.800 -0.242 0.000 1.090 111 F CA 0.632 58.560 58.000 -0.120 0.000 1.323 111 F CB -1.502 37.445 39.000 -0.089 0.000 1.028 111 F HN 0.079 nan 8.300 nan 0.000 0.492 112 T N 0.366 114.899 114.554 -0.035 0.000 3.738 112 T HA 0.170 4.520 4.350 0.000 0.000 0.231 112 T C 0.213 174.762 174.700 -0.252 0.000 0.967 112 T CA -0.356 61.626 62.100 -0.197 0.000 1.227 112 T CB -1.305 67.487 68.868 -0.126 0.000 1.136 112 T HN 0.140 nan 8.240 nan 0.000 0.807 113 T N 0.654 114.889 114.554 -0.530 0.000 2.928 113 T HA 0.532 4.882 4.350 0.000 0.000 0.284 113 T C 0.586 175.162 174.700 -0.207 0.000 1.008 113 T CA -0.999 60.853 62.100 -0.413 0.000 1.057 113 T CB 1.167 69.795 68.868 -0.401 0.000 1.018 113 T HN 0.649 nan 8.240 nan 0.000 0.493 114 T N -0.204 114.402 114.554 0.087 0.000 2.902 114 T HA 0.314 4.664 4.350 0.000 0.000 0.301 114 T C 0.079 175.014 174.700 0.392 0.000 1.012 114 T CA -0.493 61.725 62.100 0.196 0.000 1.151 114 T CB 0.285 69.243 68.868 0.150 0.000 0.946 114 T HN 0.721 nan 8.240 nan 0.000 0.542 115 T N 2.326 117.107 114.554 0.378 0.000 2.792 115 T HA 0.545 4.895 4.350 0.000 0.000 0.280 115 T C -0.850 173.983 174.700 0.222 0.000 0.990 115 T CA -0.612 61.684 62.100 0.328 0.000 0.960 115 T CB 1.158 70.254 68.868 0.380 0.000 0.939 115 T HN 0.767 nan 8.240 nan 0.000 0.439 116 S N 2.960 118.750 115.700 0.149 0.000 2.779 116 S HA 0.789 5.259 4.470 0.000 0.000 0.293 116 S C 0.092 174.737 174.600 0.076 0.000 1.150 116 S CA 0.358 58.618 58.200 0.100 0.000 1.057 116 S CB 0.396 63.643 63.200 0.078 0.000 1.021 116 S HN 1.271 nan 8.310 nan 0.000 0.485 117 G N 3.529 112.352 108.800 0.039 0.000 2.553 117 G HA2 0.156 4.116 3.960 0.000 0.000 0.106 117 G HA3 0.156 4.116 3.960 0.000 0.000 0.106 117 G C -1.961 172.860 174.900 -0.132 0.000 1.126 117 G CA -0.609 44.481 45.100 -0.016 0.000 1.075 117 G HN 0.512 nan 8.290 nan 0.000 0.472 118 Y N 0.327 120.718 120.300 0.151 0.000 2.308 118 Y HA 0.545 5.095 4.550 0.000 0.000 0.329 118 Y C 0.497 176.548 175.900 0.253 0.000 1.111 118 Y CA -0.410 57.777 58.100 0.145 0.000 1.179 118 Y CB 1.988 40.495 38.460 0.077 0.000 1.201 118 Y HN 0.260 nan 8.280 nan 0.000 0.483 119 V N 3.025 123.095 119.914 0.260 0.000 2.334 119 V HA 0.864 4.984 4.120 0.000 0.000 0.281 119 V C 0.191 176.420 176.094 0.226 0.000 1.016 119 V CA -0.501 61.962 62.300 0.272 0.000 0.832 119 V CB 0.729 32.663 31.823 0.185 0.000 0.999 119 V HN 0.937 nan 8.190 nan 0.000 0.439 120 G N 2.369 111.374 108.800 0.343 0.000 2.616 120 G HA2 0.572 4.532 3.960 0.000 0.000 0.294 120 G HA3 0.572 4.532 3.960 0.000 0.000 0.294 120 G C 0.345 175.479 174.900 0.389 0.000 1.489 120 G CA 0.125 45.367 45.100 0.236 0.000 0.836 120 G HN 0.763 nan 8.290 nan 0.000 0.527 121 A N 0.165 123.124 122.820 0.232 0.000 1.873 121 A HA 0.237 4.558 4.320 0.000 0.000 0.218 121 A C 1.774 179.528 177.584 0.282 0.000 1.193 121 A CA 2.689 54.864 52.037 0.230 0.000 0.629 121 A CB -0.943 18.138 19.000 0.135 0.000 0.826 121 A HN 1.991 nan 8.150 nan 0.000 0.447 122 T N -5.243 109.409 114.554 0.162 0.000 2.918 122 T HA 0.679 5.029 4.350 0.000 0.000 0.286 122 T C 1.014 175.586 174.700 -0.212 0.000 1.026 122 T CA -0.055 62.110 62.100 0.107 0.000 1.031 122 T CB 1.691 70.585 68.868 0.043 0.000 1.046 122 T HN 0.772 nan 8.240 nan 0.000 0.479 123 A N 2.463 125.049 122.820 -0.389 0.000 1.881 123 A HA 0.022 4.342 4.320 0.000 0.000 0.219 123 A C 2.438 179.730 177.584 -0.486 0.000 1.215 123 A CA 2.733 54.291 52.037 -0.799 0.000 0.648 123 A CB -1.978 16.789 19.000 -0.388 0.000 0.832 123 A HN 1.477 nan 8.150 nan 0.000 0.455 124 G N 0.891 109.542 108.800 -0.248 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 1.050 175.852 174.900 -0.164 0.000 1.141 124 G CA 2.362 47.364 45.100 -0.164 0.000 0.756 124 G HN 0.811 nan 8.290 nan 0.000 0.767 125 D N 0.871 121.192 120.400 -0.131 0.000 2.149 125 D HA 0.158 4.798 4.640 0.000 0.000 0.198 125 D C 2.420 178.649 176.300 -0.118 0.000 0.990 125 D CA 1.949 55.893 54.000 -0.094 0.000 0.839 125 D CB -0.698 40.083 40.800 -0.033 0.000 0.948 125 D HN 0.503 nan 8.370 nan 0.000 0.460 126 A N 0.437 123.110 122.820 -0.246 0.000 2.015 126 A HA -0.016 4.304 4.320 0.000 0.000 0.219 126 A C 2.328 179.783 177.584 -0.216 0.000 1.163 126 A CA 1.007 52.867 52.037 -0.295 0.000 0.646 126 A CB -0.902 17.574 19.000 -0.873 0.000 0.806 126 A HN 0.332 nan 8.150 nan 0.000 0.448 127 L N -0.413 120.621 121.223 -0.315 0.000 2.081 127 L HA -0.266 4.074 4.340 0.000 0.000 0.212 127 L C 1.859 178.703 176.870 -0.045 0.000 1.080 127 L CA 1.846 56.530 54.840 -0.260 0.000 0.754 127 L CB -0.803 41.112 42.059 -0.239 0.000 0.893 127 L HN 0.291 nan 8.230 nan 0.000 0.433 128 D N -0.857 119.534 120.400 -0.015 0.000 2.224 128 D HA -0.081 4.559 4.640 0.000 0.000 0.205 128 D C 0.715 177.057 176.300 0.071 0.000 0.965 128 D CA 0.758 54.776 54.000 0.031 0.000 0.852 128 D CB -0.118 40.678 40.800 -0.007 0.000 0.947 128 D HN 0.216 nan 8.370 nan 0.000 0.494 129 N N 0.355 119.117 118.700 0.104 0.000 2.483 129 N HA 0.278 5.018 4.740 0.000 0.000 0.267 129 N C -2.871 172.652 175.510 0.022 0.000 0.998 129 N CA -1.817 51.267 53.050 0.056 0.000 0.918 129 N CB 1.835 40.344 38.487 0.036 0.000 1.215 129 N HN -0.217 nan 8.380 nan 0.000 0.500 130 P HA 0.289 nan 4.420 nan 0.000 0.307 130 P C -1.292 175.864 177.300 -0.240 0.000 1.412 130 P CA -0.655 62.171 63.100 -0.456 0.000 0.985 130 P CB 2.109 33.290 31.700 -0.865 0.000 1.098 131 V N 3.207 123.015 119.914 -0.176 0.000 2.305 131 V HA 0.230 4.350 4.120 0.000 0.000 0.275 131 V C 0.611 176.663 176.094 -0.070 0.000 1.020 131 V CA -0.355 61.878 62.300 -0.113 0.000 0.811 131 V CB 1.071 32.828 31.823 -0.111 0.000 1.031 131 V HN 0.645 nan 8.190 nan 0.000 0.439 132 T N 1.428 115.938 114.554 -0.074 0.000 2.851 132 T HA 0.260 4.610 4.350 0.000 0.000 0.298 132 T C 0.525 175.231 174.700 0.009 0.000 0.977 132 T CA -0.154 61.928 62.100 -0.031 0.000 1.126 132 T CB 0.062 68.906 68.868 -0.040 0.000 0.916 132 T HN 0.745 nan 8.240 nan 0.000 0.529 133 N N 1.560 120.291 118.700 0.052 0.000 2.650 133 N HA -0.143 4.597 4.740 0.000 0.000 0.272 133 N C 0.601 176.183 175.510 0.120 0.000 1.058 133 N CA 0.754 53.857 53.050 0.088 0.000 0.765 133 N CB -1.006 37.521 38.487 0.067 0.000 0.902 133 N HN 1.009 nan 8.380 nan 0.000 0.551 134 G N -0.322 108.600 108.800 0.202 0.000 2.882 134 G HA2 0.712 4.672 3.960 0.000 0.000 0.164 134 G HA3 0.712 4.672 3.960 0.000 0.000 0.164 134 G C -0.214 174.902 174.900 0.360 0.000 1.429 134 G CA 0.141 45.469 45.100 0.380 0.000 1.059 134 G HN 0.834 nan 8.290 nan 0.000 0.581 135 V N -2.248 117.915 119.914 0.415 0.000 2.932 135 V HA 0.784 4.904 4.120 0.000 0.000 0.307 135 V C -0.898 175.078 176.094 -0.197 0.000 1.147 135 V CA -1.146 61.169 62.300 0.025 0.000 0.951 135 V CB 1.151 32.914 31.823 -0.101 0.000 1.031 135 V HN 1.033 nan 8.190 nan 0.000 0.426 136 F N 3.066 122.959 119.950 -0.095 0.000 2.594 136 F HA 0.943 5.470 4.527 0.000 0.000 0.335 136 F C -0.896 174.894 175.800 -0.017 0.000 1.058 136 F CA -1.543 56.419 58.000 -0.062 0.000 0.981 136 F CB 1.857 40.891 39.000 0.058 0.000 1.289 136 F HN 0.696 nan 8.300 nan 0.000 0.490 137 I N 1.500 122.076 120.570 0.010 0.000 2.686 137 I HA 0.438 4.608 4.170 0.000 0.000 0.295 137 I C -0.935 175.325 176.117 0.239 0.000 1.114 137 I CA -0.569 60.727 61.300 -0.006 0.000 1.038 137 I CB 2.135 40.083 38.000 -0.088 0.000 1.238 137 I HN 0.882 nan 8.210 nan 0.000 0.420 138 S N 3.289 119.170 115.700 0.301 0.000 2.554 138 S HA 0.218 4.688 4.470 0.000 0.000 0.278 138 S C 1.348 175.829 174.600 -0.199 0.000 1.242 138 S CA 0.199 58.460 58.200 0.101 0.000 1.051 138 S CB 1.289 64.802 63.200 0.520 0.000 0.986 138 S HN 0.847 nan 8.310 nan 0.000 0.502 139 T N 3.103 117.333 114.554 -0.540 0.000 2.620 139 T HA -0.209 4.141 4.350 0.000 0.000 0.267 139 T C 1.790 176.472 174.700 -0.030 0.000 1.044 139 T CA 2.214 64.167 62.100 -0.245 0.000 1.161 139 T CB -1.330 67.474 68.868 -0.107 0.000 0.862 139 T HN 0.511 nan 8.240 nan 0.000 0.438 140 V N 2.289 122.241 119.914 0.064 0.000 2.231 140 V HA -0.300 3.820 4.120 0.000 0.000 0.248 140 V C 3.023 179.186 176.094 0.115 0.000 1.054 140 V CA 2.426 64.787 62.300 0.101 0.000 1.015 140 V CB -1.197 30.714 31.823 0.147 0.000 0.638 140 V HN 0.551 nan 8.190 nan 0.000 0.444 141 Q N -0.057 119.838 119.800 0.159 0.000 2.030 141 Q HA -0.211 4.129 4.340 0.000 0.000 0.204 141 Q C 2.297 178.480 176.000 0.305 0.000 0.986 141 Q CA 2.409 58.372 55.803 0.267 0.000 0.843 141 Q CB -0.495 28.432 28.738 0.315 0.000 0.904 141 Q HN 0.865 nan 8.270 nan 0.000 0.420 142 I N -1.936 118.707 120.570 0.122 0.000 2.264 142 I HA -0.289 3.881 4.170 0.000 0.000 0.248 142 I C 2.464 178.581 176.117 -0.001 0.000 1.111 142 I CA 1.015 62.319 61.300 0.007 0.000 1.382 142 I CB -0.558 37.415 38.000 -0.045 0.000 1.060 142 I HN 0.200 nan 8.210 nan 0.000 0.418 143 M N 2.405 122.019 119.600 0.023 0.000 2.110 143 M HA -0.293 4.187 4.480 0.000 0.000 0.257 143 M C 1.997 178.317 176.300 0.033 0.000 1.071 143 M CA 2.430 57.741 55.300 0.019 0.000 1.096 143 M CB -1.342 31.277 32.600 0.031 0.000 1.300 143 M HN 0.423 nan 8.290 nan 0.000 0.411 144 N N -0.172 118.581 118.700 0.090 0.000 2.188 144 N HA -0.139 4.601 4.740 0.000 0.000 0.184 144 N C 1.562 177.156 175.510 0.140 0.000 1.018 144 N CA 1.075 54.194 53.050 0.115 0.000 0.858 144 N CB -0.208 38.364 38.487 0.143 0.000 0.989 144 N HN 0.211 nan 8.380 nan 0.000 0.426 145 L N 1.555 122.877 121.223 0.164 0.000 1.970 145 L HA -0.257 4.083 4.340 0.000 0.000 0.212 145 L C 1.986 178.763 176.870 -0.155 0.000 1.071 145 L CA 1.807 56.593 54.840 -0.090 0.000 0.751 145 L CB -0.754 41.007 42.059 -0.498 0.000 0.889 145 L HN 0.217 nan 8.230 nan 0.000 0.432 146 Q N -0.738 118.966 119.800 -0.160 0.000 2.077 146 Q HA -0.309 4.031 4.340 0.000 0.000 0.206 146 Q C 2.342 178.276 176.000 -0.109 0.000 0.989 146 Q CA 2.166 57.868 55.803 -0.169 0.000 0.853 146 Q CB -0.536 28.110 28.738 -0.154 0.000 0.907 146 Q HN 0.520 nan 8.270 nan 0.000 0.418 147 R N 0.522 120.988 120.500 -0.057 0.000 2.112 147 R HA -0.217 4.123 4.340 0.000 0.000 0.242 147 R C 2.142 178.423 176.300 -0.030 0.000 1.137 147 R CA 2.353 58.435 56.100 -0.030 0.000 0.944 147 R CB -0.613 29.687 30.300 -0.001 0.000 0.857 147 R HN 0.393 nan 8.270 nan 0.000 0.435 148 T N 0.909 115.451 114.554 -0.020 0.000 2.652 148 T HA -0.167 4.183 4.350 0.000 0.000 0.267 148 T C 2.096 176.764 174.700 -0.053 0.000 1.039 148 T CA 1.785 63.874 62.100 -0.018 0.000 1.153 148 T CB -0.462 68.413 68.868 0.010 0.000 0.863 148 T HN 0.261 nan 8.240 nan 0.000 0.428 149 I N 1.860 122.370 120.570 -0.100 0.000 2.208 149 I HA -0.202 3.968 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 1.254 62.478 61.300 -0.127 0.000 1.363 149 I CB -0.610 37.268 38.000 -0.203 0.000 1.051 149 I HN 0.287 nan 8.210 nan 0.000 0.413 150 A N 0.666 123.429 122.820 -0.095 0.000 1.933 150 A HA -0.165 4.155 4.320 0.000 0.000 0.218 150 A C 2.529 180.076 177.584 -0.062 0.000 1.175 150 A CA 1.867 53.857 52.037 -0.078 0.000 0.628 150 A CB -0.738 18.219 19.000 -0.071 0.000 0.814 150 A HN 0.448 nan 8.150 nan 0.000 0.444 151 A N -0.346 122.446 122.820 -0.047 0.000 1.930 151 A HA -0.114 4.206 4.320 0.000 0.000 0.217 151 A C 2.228 179.798 177.584 -0.024 0.000 1.175 151 A CA 1.414 53.432 52.037 -0.032 0.000 0.627 151 A CB -0.423 18.571 19.000 -0.011 0.000 0.815 151 A HN 0.543 nan 8.150 nan 0.000 0.443 152 R N -1.056 119.445 120.500 0.001 0.000 2.080 152 R HA -0.119 4.221 4.340 0.000 0.000 0.236 152 R C 2.295 178.590 176.300 -0.008 0.000 1.137 152 R CA 1.752 57.897 56.100 0.075 0.000 0.943 152 R CB -0.386 29.898 30.300 -0.026 0.000 0.846 152 R HN 0.428 nan 8.270 nan 0.000 0.431 153 M N 0.587 120.143 119.600 -0.073 0.000 2.080 153 M HA -0.179 4.301 4.480 0.000 0.000 0.260 153 M C 2.076 178.274 176.300 -0.171 0.000 1.068 153 M CA 1.809 57.040 55.300 -0.115 0.000 1.109 153 M CB -0.843 31.714 32.600 -0.072 0.000 1.342 153 M HN 0.144 nan 8.290 nan 0.000 0.405 154 R N -0.202 120.219 120.500 -0.133 0.000 2.237 154 R HA -0.112 4.228 4.340 0.000 0.000 0.219 154 R C 1.540 177.711 176.300 -0.216 0.000 1.080 154 R CA 1.281 57.293 56.100 -0.146 0.000 0.995 154 R CB -0.532 29.715 30.300 -0.088 0.000 0.875 154 R HN 0.379 nan 8.270 nan 0.000 0.462 155 D N 0.433 120.658 120.400 -0.292 0.000 2.234 155 D HA -0.083 4.557 4.640 0.000 0.000 0.205 155 D C 1.536 177.199 176.300 -1.061 0.000 0.962 155 D CA 0.407 54.105 54.000 -0.502 0.000 0.855 155 D CB 0.318 40.844 40.800 -0.458 0.000 0.951 155 D HN 0.043 nan 8.370 nan 0.000 0.500 156 V N -0.289 118.983 119.914 -1.070 0.000 3.406 156 V HA 0.216 4.336 4.120 0.000 0.000 0.263 156 V C 2.039 177.705 176.094 -0.713 0.000 1.172 156 V CA 1.104 62.528 62.300 -1.460 0.000 1.140 156 V CB -0.239 30.767 31.823 -1.361 0.000 0.784 156 V HN 0.278 nan 8.190 nan 0.000 0.467 157 A N -0.005 122.580 122.820 -0.391 0.000 2.032 157 A HA -0.167 4.153 4.320 0.000 0.000 0.221 157 A C 2.052 179.644 177.584 0.014 0.000 1.165 157 A CA 2.033 53.990 52.037 -0.133 0.000 0.645 157 A CB -0.400 18.543 19.000 -0.095 0.000 0.807 157 A HN 0.579 nan 8.150 nan 0.000 0.453 158 L N -2.454 118.804 121.223 0.059 0.000 2.131 158 L HA -0.134 4.206 4.340 0.000 0.000 0.206 158 L C 2.566 179.776 176.870 0.567 0.000 1.087 158 L CA 0.655 55.684 54.840 0.315 0.000 0.767 158 L CB -0.494 41.778 42.059 0.354 0.000 0.917 158 L HN 0.560 nan 8.230 nan 0.000 0.441 159 W N 0.796 122.197 121.300 0.170 0.000 2.379 159 W HA -0.111 4.549 4.660 0.000 0.000 0.307 159 W C 2.680 179.457 176.519 0.430 0.000 1.200 159 W CA 0.229 57.742 57.345 0.281 0.000 1.297 159 W CB -1.259 28.131 29.460 -0.118 0.000 1.140 159 W HN 0.168 nan 8.180 nan 0.000 0.507 160 Q N 0.489 120.536 119.800 0.411 0.000 2.062 160 Q HA -0.245 4.095 4.340 0.000 0.000 0.209 160 Q C 2.297 178.519 176.000 0.370 0.000 0.996 160 Q CA 1.906 57.959 55.803 0.418 0.000 0.859 160 Q CB -0.584 28.314 28.738 0.265 0.000 0.920 160 Q HN 0.050 nan 8.270 nan 0.000 0.415 161 K N 0.466 121.032 120.400 0.278 0.000 2.020 161 K HA -0.218 4.102 4.320 0.000 0.000 0.212 161 K C 1.882 178.577 176.600 0.159 0.000 1.050 161 K CA 1.924 58.311 56.287 0.168 0.000 0.929 161 K CB -0.380 32.183 32.500 0.105 0.000 0.714 161 K HN 0.394 nan 8.250 nan 0.000 0.443 162 H N 0.119 119.313 119.070 0.206 0.000 2.319 162 H HA -0.159 4.397 4.556 0.000 0.000 0.299 162 H C 1.935 177.311 175.328 0.079 0.000 1.092 162 H CA 1.795 57.905 56.048 0.104 0.000 1.302 162 H CB -0.142 29.675 29.762 0.093 0.000 1.373 162 H HN 0.103 nan 8.280 nan 0.000 0.497 163 L N 0.925 122.411 121.223 0.438 0.000 2.013 163 L HA -0.233 4.107 4.340 0.000 0.000 0.212 163 L C 1.442 178.485 176.870 0.288 0.000 1.073 163 L CA 1.943 57.044 54.840 0.435 0.000 0.753 163 L CB -0.466 41.996 42.059 0.671 0.000 0.890 163 L HN 0.223 nan 8.230 nan 0.000 0.432 164 D N -0.743 119.811 120.400 0.257 0.000 2.133 164 D HA -0.225 4.415 4.640 0.000 0.000 0.195 164 D C 2.266 178.624 176.300 0.097 0.000 0.997 164 D CA 2.090 56.186 54.000 0.160 0.000 0.840 164 D CB -0.654 40.238 40.800 0.153 0.000 0.947 164 D HN 0.646 nan 8.370 nan 0.000 0.452 165 T N -0.956 113.648 114.554 0.084 0.000 2.708 165 T HA -0.082 4.268 4.350 0.000 0.000 0.266 165 T C 2.117 176.850 174.700 0.055 0.000 1.037 165 T CA 1.871 63.998 62.100 0.045 0.000 1.146 165 T CB -0.535 68.334 68.868 0.002 0.000 0.865 165 T HN 0.114 nan 8.240 nan 0.000 0.435 166 A N 2.753 125.615 122.820 0.069 0.000 1.873 166 A HA -0.073 4.247 4.320 0.000 0.000 0.218 166 A C 2.553 180.194 177.584 0.095 0.000 1.193 166 A CA 2.350 54.437 52.037 0.084 0.000 0.629 166 A CB -0.872 18.183 19.000 0.091 0.000 0.826 166 A HN 0.506 nan 8.150 nan 0.000 0.447 167 M N 0.267 119.909 119.600 0.070 0.000 2.358 167 M HA -0.089 4.391 4.480 0.000 0.000 0.264 167 M C 2.058 178.368 176.300 0.016 0.000 1.064 167 M CA 1.987 57.287 55.300 0.000 0.000 1.093 167 M CB -1.744 30.794 32.600 -0.103 0.000 1.401 167 M HN 0.769 nan 8.290 nan 0.000 0.440 168 T N -3.310 111.271 114.554 0.045 0.000 3.034 168 T HA 0.055 4.405 4.350 0.000 0.000 0.248 168 T C 1.717 176.464 174.700 0.078 0.000 1.040 168 T CA 0.007 62.140 62.100 0.055 0.000 1.107 168 T CB -0.178 68.714 68.868 0.040 0.000 0.932 168 T HN 0.143 nan 8.240 nan 0.000 0.474 169 M N 1.353 120.998 119.600 0.075 0.000 2.426 169 M HA 0.165 4.645 4.480 0.000 0.000 0.261 169 M C -0.058 176.305 176.300 0.105 0.000 1.068 169 M CA 1.219 56.565 55.300 0.078 0.000 1.066 169 M CB -0.934 31.699 32.600 0.056 0.000 1.399 169 M HN 0.366 nan 8.290 nan 0.000 0.449 170 L N 0.635 121.943 121.223 0.141 0.000 2.420 170 L HA 0.145 4.485 4.340 0.000 0.000 0.260 170 L C 0.082 177.100 176.870 0.247 0.000 1.508 170 L CA -0.488 54.482 54.840 0.217 0.000 0.835 170 L CB 0.768 42.898 42.059 0.118 0.000 1.018 170 L HN -0.162 nan 8.230 nan 0.000 0.520 171 T N 3.852 118.540 114.554 0.223 0.000 2.576 171 T HA 0.022 4.372 4.350 0.000 0.000 0.251 171 T C -1.348 173.432 174.700 0.134 0.000 1.050 171 T CA -0.290 61.899 62.100 0.148 0.000 1.286 171 T CB 0.281 69.204 68.868 0.093 0.000 1.028 171 T HN 0.267 nan 8.240 nan 0.000 0.509 172 P HA 0.188 nan 4.420 nan 0.000 0.269 172 P C -0.790 176.370 177.300 -0.234 0.000 1.601 172 P CA -0.091 62.870 63.100 -0.231 0.000 0.831 172 P CB -0.226 31.249 31.700 -0.375 0.000 1.688 173 D N 0.713 121.063 120.400 -0.083 0.000 2.464 173 D HA 0.271 4.911 4.640 0.000 0.000 0.243 173 D C -0.215 176.070 176.300 -0.026 0.000 1.104 173 D CA -0.161 53.797 54.000 -0.071 0.000 0.883 173 D CB 0.776 41.551 40.800 -0.042 0.000 1.050 173 D HN -0.008 nan 8.370 nan 0.000 0.524 174 I N 2.713 123.248 120.570 -0.059 0.000 2.428 174 I HA 0.056 4.226 4.170 0.000 0.000 0.279 174 I C 1.461 177.560 176.117 -0.029 0.000 1.040 174 I CA -0.255 61.033 61.300 -0.020 0.000 1.171 174 I CB 0.981 38.976 38.000 -0.008 0.000 1.312 174 I HN 0.300 nan 8.210 nan 0.000 0.470 175 S N 3.945 119.637 115.700 -0.012 0.000 2.469 175 S HA 0.069 4.539 4.470 0.000 0.000 0.238 175 S C 0.892 175.489 174.600 -0.004 0.000 0.998 175 S CA 0.429 58.624 58.200 -0.007 0.000 0.957 175 S CB 0.103 63.303 63.200 -0.001 0.000 0.764 175 S HN 0.672 nan 8.310 nan 0.000 0.514 176 A N -0.106 122.712 122.820 -0.004 0.000 2.530 176 A HA 0.702 5.022 4.320 0.000 0.000 0.279 176 A C 0.711 178.294 177.584 -0.001 0.000 1.109 176 A CA -0.204 51.832 52.037 -0.002 0.000 0.763 176 A CB 0.358 19.359 19.000 0.001 0.000 1.257 176 A HN 1.377 nan 8.150 nan 0.000 0.424 177 G N 1.493 110.289 108.800 -0.006 0.000 2.650 177 G HA2 0.234 4.194 3.960 0.000 0.000 0.264 177 G HA3 0.234 4.194 3.960 0.000 0.000 0.264 177 G C 0.223 175.113 174.900 -0.017 0.000 1.263 177 G CA 0.332 45.428 45.100 -0.007 0.000 0.960 177 G HN 2.663 nan 8.290 nan 0.000 0.548 178 S N -0.887 114.809 115.700 -0.007 0.000 2.563 178 S HA 0.878 5.348 4.470 0.000 0.000 0.279 178 S C -0.572 174.040 174.600 0.020 0.000 1.155 178 S CA 0.637 58.827 58.200 -0.016 0.000 0.928 178 S CB 1.388 64.577 63.200 -0.018 0.000 1.107 178 S HN 2.477 nan 8.310 nan 0.000 0.462 179 A N 1.373 124.198 122.820 0.009 0.000 2.380 179 A HA 0.969 5.289 4.320 0.000 0.000 0.315 179 A C -0.319 177.280 177.584 0.024 0.000 1.101 179 A CA -0.864 51.235 52.037 0.102 0.000 0.771 179 A CB 2.001 21.181 19.000 0.299 0.000 1.287 179 A HN 1.213 nan 8.150 nan 0.000 0.436 180 S N -0.719 115.063 115.700 0.136 0.000 2.546 180 S HA 0.658 5.128 4.470 0.000 0.000 0.272 180 S C -1.364 173.355 174.600 0.198 0.000 1.140 180 S CA -0.276 58.003 58.200 0.133 0.000 0.920 180 S CB 1.251 64.489 63.200 0.064 0.000 1.083 180 S HN 1.796 nan 8.310 nan 0.000 0.476 181 C N 3.957 123.370 119.300 0.189 0.000 3.285 181 C HA 0.584 5.044 4.460 0.000 0.000 0.325 181 C C -0.843 174.092 174.990 -0.091 0.000 1.304 181 C CA -0.843 58.169 59.018 -0.010 0.000 1.319 181 C CB 1.228 28.828 27.740 -0.233 0.000 1.640 181 C HN 0.975 nan 8.230 nan 0.000 0.477 182 N N 2.273 120.925 118.700 -0.080 0.000 2.394 182 N HA -0.035 4.705 4.740 0.000 0.000 0.277 182 N C 0.820 176.309 175.510 -0.035 0.000 1.346 182 N CA 0.372 53.398 53.050 -0.039 0.000 0.910 182 N CB 0.119 38.575 38.487 -0.053 0.000 1.201 182 N HN 0.890 nan 8.380 nan 0.000 0.488 183 W N 3.752 124.959 121.300 -0.156 0.000 2.363 183 W HA -0.205 4.455 4.660 0.000 0.000 0.296 183 W C 1.616 178.052 176.519 -0.139 0.000 1.212 183 W CA 0.231 57.494 57.345 -0.136 0.000 1.260 183 W CB 0.259 29.754 29.460 0.057 0.000 1.131 183 W HN 0.591 nan 8.180 nan 0.000 0.530 184 K N -0.019 120.407 120.400 0.043 0.000 2.020 184 K HA -0.214 4.106 4.320 0.000 0.000 0.212 184 K C 2.002 178.463 176.600 -0.232 0.000 1.050 184 K CA 2.039 58.246 56.287 -0.134 0.000 0.929 184 K CB -0.834 31.593 32.500 -0.123 0.000 0.714 184 K HN -0.019 nan 8.250 nan 0.000 0.443 185 S N 1.644 117.208 115.700 -0.228 0.000 2.368 185 S HA -0.186 4.284 4.470 0.000 0.000 0.226 185 S C 2.061 176.527 174.600 -0.223 0.000 1.044 185 S CA 1.487 59.508 58.200 -0.298 0.000 1.062 185 S CB -0.450 62.621 63.200 -0.215 0.000 0.931 185 S HN 0.159 nan 8.310 nan 0.000 0.440 186 L N 1.084 122.221 121.223 -0.144 0.000 1.970 186 L HA -0.143 4.197 4.340 0.000 0.000 0.212 186 L C 2.367 179.231 176.870 -0.010 0.000 1.071 186 L CA 1.280 56.069 54.840 -0.085 0.000 0.751 186 L CB -0.794 41.143 42.059 -0.203 0.000 0.889 186 L HN 0.262 nan 8.230 nan 0.000 0.432 187 L N -0.388 120.799 121.223 -0.061 0.000 2.051 187 L HA -0.281 4.059 4.340 0.000 0.000 0.214 187 L C 2.786 179.596 176.870 -0.100 0.000 1.076 187 L CA 1.470 56.204 54.840 -0.177 0.000 0.758 187 L CB -0.894 40.925 42.059 -0.400 0.000 0.890 187 L HN 0.322 nan 8.230 nan 0.000 0.433 188 A N -0.971 121.758 122.820 -0.153 0.000 1.929 188 A HA -0.146 4.174 4.320 0.000 0.000 0.216 188 A C 2.231 179.929 177.584 0.190 0.000 1.176 188 A CA 0.929 52.932 52.037 -0.057 0.000 0.628 188 A CB -0.710 18.161 19.000 -0.214 0.000 0.816 188 A HN 0.370 nan 8.150 nan 0.000 0.444 189 F N 0.327 120.173 119.950 -0.174 0.000 2.186 189 F HA -0.128 4.399 4.527 0.000 0.000 0.299 189 F C 2.735 178.606 175.800 0.118 0.000 1.090 189 F CA 0.467 58.545 58.000 0.129 0.000 1.307 189 F CB 0.022 39.033 39.000 0.019 0.000 1.019 189 F HN 0.336 nan 8.300 nan 0.000 0.489 190 A N 0.505 123.442 122.820 0.196 0.000 1.884 190 A HA -0.304 4.016 4.320 0.000 0.000 0.219 190 A C 2.002 179.660 177.584 0.122 0.000 1.197 190 A CA 2.217 54.318 52.037 0.107 0.000 0.637 190 A CB -0.736 18.301 19.000 0.062 0.000 0.827 190 A HN 0.381 nan 8.150 nan 0.000 0.450 191 K N -1.148 119.328 120.400 0.127 0.000 2.432 191 K HA -0.062 4.258 4.320 0.000 0.000 0.196 191 K C 1.197 177.877 176.600 0.133 0.000 1.038 191 K CA 0.996 57.344 56.287 0.101 0.000 0.986 191 K CB -0.037 32.503 32.500 0.066 0.000 0.782 191 K HN 0.559 nan 8.250 nan 0.000 0.485 192 D N 0.194 120.733 120.400 0.232 0.000 2.305 192 D HA -0.024 4.616 4.640 0.000 0.000 0.206 192 D C 1.382 177.796 176.300 0.190 0.000 0.974 192 D CA 0.637 54.762 54.000 0.209 0.000 0.871 192 D CB 0.433 41.401 40.800 0.281 0.000 0.947 192 D HN -0.046 nan 8.370 nan 0.000 0.516 193 I N 0.183 120.886 120.570 0.222 0.000 3.194 193 I HA 0.137 4.307 4.170 0.000 0.000 0.271 193 I C 0.945 177.115 176.117 0.088 0.000 1.150 193 I CA 0.087 61.481 61.300 0.158 0.000 1.440 193 I CB -0.975 37.109 38.000 0.141 0.000 1.276 193 I HN -0.016 nan 8.210 nan 0.000 0.457 194 L N 3.077 124.342 121.223 0.071 0.000 2.514 194 L HA 0.031 4.371 4.340 0.000 0.000 0.280 194 L C -1.936 174.952 176.870 0.029 0.000 1.223 194 L CA -1.111 53.754 54.840 0.042 0.000 0.864 194 L CB -0.341 41.737 42.059 0.031 0.000 1.118 194 L HN -0.073 nan 8.230 nan 0.000 0.494 195 P HA 0.051 nan 4.420 nan 0.000 0.267 195 P C 0.669 177.976 177.300 0.012 0.000 1.209 195 P CA -0.119 62.993 63.100 0.021 0.000 0.763 195 P CB 0.671 32.385 31.700 0.024 0.000 0.816 196 L N 2.357 123.583 121.223 0.005 0.000 2.051 196 L HA -0.254 4.086 4.340 0.000 0.000 0.214 196 L C 1.652 178.515 176.870 -0.012 0.000 1.076 196 L CA 1.760 56.594 54.840 -0.010 0.000 0.758 196 L CB -0.624 41.429 42.059 -0.010 0.000 0.890 196 L HN 0.464 nan 8.230 nan 0.000 0.433 197 D N -0.410 119.997 120.400 0.011 0.000 2.351 197 D HA -0.093 4.547 4.640 0.000 0.000 0.216 197 D C 0.454 176.795 176.300 0.069 0.000 0.968 197 D CA 0.473 54.491 54.000 0.030 0.000 0.899 197 D CB -0.535 40.291 40.800 0.043 0.000 0.907 197 D HN 0.426 nan 8.370 nan 0.000 0.514 198 N N 0.685 119.430 118.700 0.075 0.000 2.454 198 N HA 0.002 4.742 4.740 0.000 0.000 0.254 198 N C 1.370 176.808 175.510 -0.120 0.000 1.228 198 N CA -0.044 53.080 53.050 0.124 0.000 0.900 198 N CB 0.812 39.357 38.487 0.098 0.000 1.089 198 N HN 0.010 nan 8.380 nan 0.000 0.449 199 L N 0.489 121.448 121.223 -0.440 0.000 2.191 199 L HA -0.213 4.127 4.340 0.000 0.000 0.212 199 L C 1.738 178.408 176.870 -0.334 0.000 1.103 199 L CA 0.716 55.284 54.840 -0.453 0.000 0.769 199 L CB -0.346 41.404 42.059 -0.516 0.000 0.908 199 L HN 0.712 nan 8.230 nan 0.000 0.438 200 C N -0.245 118.732 119.300 -0.539 0.000 2.413 200 C HA -0.154 4.306 4.460 0.000 0.000 0.277 200 C C 2.564 177.420 174.990 -0.223 0.000 1.265 200 C CA 0.364 59.064 59.018 -0.529 0.000 1.752 200 C CB -0.791 26.663 27.740 -0.476 0.000 1.998 200 C HN 0.415 nan 8.230 nan 0.000 0.489 201 L N 1.263 122.366 121.223 -0.200 0.000 2.313 201 L HA -0.041 4.299 4.340 0.000 0.000 0.214 201 L C 2.711 179.440 176.870 -0.236 0.000 1.119 201 L CA 1.959 56.700 54.840 -0.164 0.000 0.809 201 L CB -1.070 40.921 42.059 -0.113 0.000 0.933 201 L HN 0.498 nan 8.230 nan 0.000 0.449 202 T N -3.803 110.494 114.554 -0.429 0.000 2.851 202 T HA -0.154 4.196 4.350 0.000 0.000 0.262 202 T C 1.088 175.327 174.700 -0.768 0.000 1.043 202 T CA 0.964 62.619 62.100 -0.742 0.000 1.140 202 T CB -0.506 67.606 68.868 -1.261 0.000 0.872 202 T HN 0.275 nan 8.240 nan 0.000 0.446 203 Y N 1.793 122.149 120.300 0.094 0.000 2.781 203 Y HA 0.349 4.899 4.550 0.000 0.000 0.326 203 Y C -1.724 174.332 175.900 0.260 0.000 1.019 203 Y CA -2.731 55.464 58.100 0.159 0.000 1.372 203 Y CB 0.418 38.949 38.460 0.118 0.000 1.260 203 Y HN 0.232 nan 8.280 nan 0.000 0.546 204 P HA -0.220 nan 4.420 nan 0.000 0.214 204 P C 1.050 178.454 177.300 0.173 0.000 1.163 204 P CA 1.697 64.871 63.100 0.124 0.000 0.889 204 P CB 0.357 32.052 31.700 -0.009 0.000 0.790 205 N N -1.079 117.671 118.700 0.083 0.000 2.036 205 N HA -0.193 4.547 4.740 0.000 0.000 0.195 205 N C 1.748 177.295 175.510 0.062 0.000 1.037 205 N CA 1.392 54.451 53.050 0.015 0.000 0.855 205 N CB -0.328 38.126 38.487 -0.055 0.000 1.033 205 N HN 0.075 nan 8.380 nan 0.000 0.423 206 E N -0.052 120.200 120.200 0.087 0.000 2.031 206 E HA -0.171 4.179 4.350 0.000 0.000 0.193 206 E C 2.012 178.709 176.600 0.161 0.000 0.994 206 E CA 1.003 57.432 56.400 0.048 0.000 0.800 206 E CB -0.530 29.108 29.700 -0.103 0.000 0.752 206 E HN 0.459 nan 8.360 nan 0.000 0.447 207 F N -0.019 120.053 119.950 0.203 0.000 2.126 207 F HA -0.256 4.271 4.527 0.000 0.000 0.299 207 F C 2.503 178.478 175.800 0.292 0.000 1.096 207 F CA 1.321 59.481 58.000 0.268 0.000 1.255 207 F CB -0.433 38.712 39.000 0.240 0.000 0.997 207 F HN 0.077 nan 8.300 nan 0.000 0.479 208 Y N 0.867 121.365 120.300 0.329 0.000 2.128 208 Y HA -0.334 4.216 4.550 0.000 0.000 0.284 208 Y C 2.371 178.402 175.900 0.218 0.000 1.154 208 Y CA 2.048 60.297 58.100 0.249 0.000 1.149 208 Y CB -0.688 37.870 38.460 0.164 0.000 0.976 208 Y HN 0.037 nan 8.280 nan 0.000 0.505 209 N N -0.350 118.530 118.700 0.299 0.000 2.036 209 N HA -0.231 4.509 4.740 0.000 0.000 0.195 209 N C 1.685 177.073 175.510 -0.204 0.000 1.037 209 N CA 2.377 55.443 53.050 0.027 0.000 0.855 209 N CB -0.512 37.932 38.487 -0.072 0.000 1.033 209 N HN 0.231 nan 8.380 nan 0.000 0.423 210 V N 0.788 120.714 119.914 0.020 0.000 2.233 210 V HA -0.263 3.857 4.120 0.000 0.000 0.247 210 V C 2.425 178.516 176.094 -0.006 0.000 1.050 210 V CA 2.025 64.343 62.300 0.030 0.000 1.010 210 V CB -1.444 30.398 31.823 0.033 0.000 0.637 210 V HN 0.504 nan 8.190 nan 0.000 0.444 211 A N 0.175 123.086 122.820 0.152 0.000 1.896 211 A HA -0.300 4.020 4.320 0.000 0.000 0.220 211 A C 2.124 179.752 177.584 0.073 0.000 1.206 211 A CA 2.671 54.859 52.037 0.252 0.000 0.647 211 A CB -0.799 18.453 19.000 0.419 0.000 0.828 211 A HN 0.479 nan 8.150 nan 0.000 0.455 212 I N -0.740 119.796 120.570 -0.057 0.000 2.264 212 I HA -0.238 3.932 4.170 0.000 0.000 0.248 212 I C 2.222 178.315 176.117 -0.041 0.000 1.111 212 I CA 1.495 62.738 61.300 -0.095 0.000 1.382 212 I CB -0.481 37.428 38.000 -0.151 0.000 1.060 212 I HN 0.397 nan 8.210 nan 0.000 0.418 213 H N -0.665 118.355 119.070 -0.083 0.000 2.495 213 H HA 0.035 4.591 4.556 0.000 0.000 0.287 213 H C 2.303 177.488 175.328 -0.239 0.000 1.033 213 H CA 0.960 56.935 56.048 -0.121 0.000 1.307 213 H CB -0.054 29.638 29.762 -0.116 0.000 1.401 213 H HN 0.315 nan 8.280 nan 0.000 0.555 214 R N -0.298 120.013 120.500 -0.315 0.000 2.146 214 R HA 0.024 4.364 4.340 0.000 0.000 0.206 214 R C -0.130 175.773 176.300 -0.661 0.000 1.049 214 R CA 0.246 55.971 56.100 -0.625 0.000 1.029 214 R CB 0.477 30.228 30.300 -0.915 0.000 0.949 214 R HN 0.131 nan 8.270 nan 0.000 0.471 215 Y N 0.369 120.635 120.300 -0.056 0.000 2.700 215 Y HA 0.324 4.874 4.550 0.000 0.000 0.333 215 Y C -1.907 173.874 175.900 -0.199 0.000 1.036 215 Y CA -2.748 55.282 58.100 -0.117 0.000 1.287 215 Y CB 1.356 39.752 38.460 -0.106 0.000 1.132 215 Y HN 0.078 nan 8.280 nan 0.000 0.510 216 P HA -0.244 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 1.678 64.380 63.100 -0.664 0.000 0.808 216 P CB 0.311 31.613 31.700 -0.663 0.000 0.779 217 A N -1.372 121.261 122.820 -0.311 0.000 2.194 217 A HA -0.092 4.228 4.320 0.000 0.000 0.220 217 A C 0.872 178.271 177.584 -0.307 0.000 1.162 217 A CA 1.147 53.016 52.037 -0.279 0.000 0.674 217 A CB -1.021 17.827 19.000 -0.254 0.000 0.789 217 A HN 0.187 nan 8.150 nan 0.000 0.470 218 L N -1.158 119.935 121.223 -0.217 0.000 2.386 218 L HA 0.563 4.903 4.340 0.000 0.000 0.271 218 L C -0.648 176.216 176.870 -0.011 0.000 0.993 218 L CA -0.957 53.796 54.840 -0.145 0.000 0.819 218 L CB 2.148 44.183 42.059 -0.040 0.000 1.294 218 L HN -0.118 nan 8.230 nan 0.000 0.414 219 K N 3.052 123.521 120.400 0.116 0.000 2.259 219 K HA 0.530 4.850 4.320 0.000 0.000 0.249 219 K C -2.524 174.157 176.600 0.135 0.000 0.942 219 K CA -1.896 54.461 56.287 0.117 0.000 0.816 219 K CB 1.720 34.287 32.500 0.111 0.000 1.155 219 K HN 0.182 nan 8.250 nan 0.000 0.428 220 P HA -0.042 nan 4.420 nan 0.000 0.265 220 P C 0.558 177.823 177.300 -0.058 0.000 1.193 220 P CA 0.227 63.172 63.100 -0.258 0.000 0.765 220 P CB 0.771 31.796 31.700 -1.126 0.000 0.823 221 G N 4.208 113.055 108.800 0.079 0.000 4.072 221 G HA2 -0.333 3.627 3.960 0.000 0.000 0.248 221 G HA3 -0.333 3.627 3.960 0.000 0.000 0.248 221 G C 0.804 175.702 174.900 -0.003 0.000 0.856 221 G CA 1.539 46.645 45.100 0.009 0.000 0.713 221 G HN 0.783 nan 8.290 nan 0.000 1.477 222 N N 1.230 119.934 118.700 0.008 0.000 2.299 222 N HA 0.156 4.896 4.740 0.000 0.000 0.246 222 N C -1.107 174.418 175.510 0.026 0.000 1.254 222 N CA -0.005 53.053 53.050 0.013 0.000 0.879 222 N CB 0.662 39.158 38.487 0.014 0.000 1.214 222 N HN 0.317 nan 8.380 nan 0.000 0.510 223 P HA -0.098 nan 4.420 nan 0.000 0.216 223 P C -0.538 176.794 177.300 0.053 0.000 1.157 223 P CA 1.486 64.630 63.100 0.073 0.000 0.880 223 P CB 0.166 31.904 31.700 0.063 0.000 0.791 224 D N -1.083 119.331 120.400 0.024 0.000 2.420 224 D HA 0.127 4.767 4.640 0.000 0.000 0.255 224 D C 0.639 176.945 176.300 0.010 0.000 1.185 224 D CA -0.205 53.806 54.000 0.018 0.000 0.904 224 D CB 1.167 41.977 40.800 0.016 0.000 1.102 224 D HN -0.107 nan 8.370 nan 0.000 0.534 225 T N 1.256 115.817 114.554 0.012 0.000 2.848 225 T HA -0.207 4.143 4.350 0.000 0.000 0.269 225 T C 1.812 176.518 174.700 0.009 0.000 1.081 225 T CA 1.259 63.365 62.100 0.010 0.000 1.125 225 T CB 0.213 69.087 68.868 0.010 0.000 0.848 225 T HN 0.372 nan 8.240 nan 0.000 0.503 226 K N 0.487 120.892 120.400 0.008 0.000 2.032 226 K HA -0.100 4.220 4.320 0.000 0.000 0.218 226 K C 0.544 177.147 176.600 0.005 0.000 1.054 226 K CA 1.120 57.411 56.287 0.007 0.000 0.941 226 K CB -0.175 32.329 32.500 0.006 0.000 0.720 226 K HN 0.310 nan 8.250 nan 0.000 0.449 227 L N 0.509 121.734 121.223 0.003 0.000 2.490 227 L HA 0.223 4.563 4.340 0.000 0.000 0.256 227 L C -2.099 174.768 176.870 -0.005 0.000 1.089 227 L CA -1.191 53.649 54.840 -0.000 0.000 0.916 227 L CB 1.930 43.986 42.059 -0.004 0.000 1.188 227 L HN 0.045 nan 8.230 nan 0.000 0.476 228 P HA 0.060 nan 4.420 nan 0.000 0.228 228 P C -0.212 177.084 177.300 -0.006 0.000 1.166 228 P CA 0.505 63.596 63.100 -0.015 0.000 0.812 228 P CB 0.750 32.452 31.700 0.004 0.000 0.857 229 D N 0.332 120.738 120.400 0.011 0.000 2.181 229 D HA 0.525 5.165 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 -0.162 53.855 54.000 0.028 0.000 0.891 229 D CB 2.481 43.301 40.800 0.034 0.000 1.187 229 D HN 0.029 nan 8.370 nan 0.000 0.443 230 A N 1.002 123.826 122.820 0.006 0.000 2.594 230 A HA 0.322 4.642 4.320 0.000 0.000 0.291 230 A C 0.074 177.572 177.584 -0.142 0.000 1.105 230 A CA -0.466 51.514 52.037 -0.095 0.000 0.694 230 A CB 2.174 21.055 19.000 -0.199 0.000 1.291 230 A HN 0.347 nan 8.150 nan 0.000 0.410 231 Q N -0.395 119.284 119.800 -0.202 0.000 2.392 231 Q HA 0.267 4.607 4.340 0.000 0.000 0.219 231 Q C 0.637 176.453 176.000 -0.306 0.000 0.895 231 Q CA 1.011 56.722 55.803 -0.154 0.000 0.929 231 Q CB 0.735 29.445 28.738 -0.045 0.000 1.077 231 Q HN 0.859 nan 8.270 nan 0.000 0.532 232 A N 1.498 124.071 122.820 -0.412 0.000 2.260 232 A HA 0.497 4.817 4.320 0.000 0.000 0.308 232 A C -0.369 176.859 177.584 -0.593 0.000 1.254 232 A CA -0.378 51.436 52.037 -0.372 0.000 0.874 232 A CB 0.294 19.182 19.000 -0.187 0.000 1.153 232 A HN 0.154 nan 8.150 nan 0.000 0.527 233 H N 1.720 120.776 119.070 -0.023 0.000 3.779 233 H HA 0.476 5.032 4.556 0.000 0.000 0.320 233 H C -1.945 173.363 175.328 -0.033 0.000 1.666 233 H CA -1.307 54.730 56.048 -0.018 0.000 1.439 233 H CB -0.435 29.313 29.762 -0.023 0.000 1.281 233 H HN 0.428 nan 8.280 nan 0.000 0.809 234 P HA 0.050 nan 4.420 nan 0.000 0.342 234 P C 1.125 178.423 177.300 -0.003 0.000 1.384 234 P CA -0.427 62.667 63.100 -0.009 0.000 0.837 234 P CB 0.621 32.285 31.700 -0.059 0.000 2.025 235 L N -0.280 120.929 121.223 -0.023 0.000 2.044 235 L HA 0.027 4.367 4.340 0.000 0.000 0.205 235 L C 2.155 179.032 176.870 0.012 0.000 1.075 235 L CA 2.416 57.255 54.840 -0.001 0.000 0.747 235 L CB -1.760 40.306 42.059 0.011 0.000 0.903 235 L HN 0.467 nan 8.230 nan 0.000 0.435 236 G N -0.568 108.233 108.800 0.002 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 1.215 176.122 174.900 0.013 0.000 1.137 236 G CA 1.574 46.674 45.100 -0.000 0.000 1.061 236 G HN 0.481 nan 8.290 nan 0.000 1.152 237 E N -0.720 119.485 120.200 0.007 0.000 2.689 237 E HA -0.350 4.000 4.350 0.000 0.000 0.247 237 E C 2.293 178.878 176.600 -0.026 0.000 1.031 237 E CA 2.385 58.784 56.400 -0.001 0.000 1.400 237 E CB -1.277 28.433 29.700 0.015 0.000 1.296 237 E HN 0.523 nan 8.360 nan 0.000 0.475 238 V N 0.447 120.350 119.914 -0.018 0.000 2.218 238 V HA -0.369 3.751 4.120 0.000 0.000 0.251 238 V C 2.121 178.234 176.094 0.032 0.000 1.057 238 V CA 3.107 65.387 62.300 -0.033 0.000 1.022 238 V CB -0.916 30.927 31.823 0.033 0.000 0.645 238 V HN 0.512 nan 8.190 nan 0.000 0.451 239 A N -0.444 122.460 122.820 0.140 0.000 2.032 239 A HA -0.123 4.197 4.320 0.000 0.000 0.221 239 A C 2.293 179.986 177.584 0.183 0.000 1.165 239 A CA 2.203 54.374 52.037 0.223 0.000 0.645 239 A CB -1.390 17.695 19.000 0.143 0.000 0.807 239 A HN 0.826 nan 8.150 nan 0.000 0.453 240 G N -0.739 108.107 108.800 0.077 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 1.742 176.657 174.900 0.025 0.000 1.165 240 G CA 1.183 46.310 45.100 0.044 0.000 0.784 240 G HN 0.813 nan 8.290 nan 0.000 0.535 241 A N 0.629 123.414 122.820 -0.059 0.000 1.948 241 A HA 0.012 4.332 4.320 0.000 0.000 0.220 241 A C 2.101 179.649 177.584 -0.060 0.000 1.177 241 A CA 1.544 53.495 52.037 -0.144 0.000 0.636 241 A CB -0.589 18.221 19.000 -0.317 0.000 0.815 241 A HN 0.312 nan 8.150 nan 0.000 0.449 242 F N 0.588 120.539 119.950 0.002 0.000 2.293 242 F HA -0.081 4.446 4.527 0.000 0.000 0.300 242 F C 2.120 177.922 175.800 0.003 0.000 1.086 242 F CA 1.104 59.106 58.000 0.003 0.000 1.375 242 F CB -0.412 38.590 39.000 0.004 0.000 1.045 242 F HN 0.287 nan 8.300 nan 0.000 0.516 243 N N 0.226 119.042 118.700 0.193 0.000 2.463 243 N HA 0.105 4.845 4.740 0.000 0.000 0.181 243 N C 0.606 176.155 175.510 0.065 0.000 1.078 243 N CA 0.443 53.555 53.050 0.103 0.000 0.902 243 N CB 0.093 38.627 38.487 0.079 0.000 0.970 243 N HN 0.099 nan 8.380 nan 0.000 0.451 244 A N 1.163 124.017 122.820 0.056 0.000 2.320 244 A HA 0.576 4.896 4.320 0.000 0.000 0.287 244 A C 0.362 177.962 177.584 0.027 0.000 1.181 244 A CA -0.544 51.509 52.037 0.026 0.000 0.831 244 A CB 0.350 19.351 19.000 0.002 0.000 1.102 244 A HN 0.213 nan 8.150 nan 0.000 0.513 245 A N 3.208 126.039 122.820 0.019 0.000 2.567 245 A HA 0.469 4.789 4.320 0.000 0.000 0.240 245 A C 1.009 178.601 177.584 0.013 0.000 1.053 245 A CA 0.845 52.892 52.037 0.017 0.000 0.755 245 A CB -0.539 18.468 19.000 0.011 0.000 0.978 245 A HN 1.540 nan 8.150 nan 0.000 0.507 246 T N -0.493 114.071 114.554 0.017 0.000 2.948 246 T HA 0.474 4.824 4.350 0.000 0.000 0.285 246 T C 1.368 176.074 174.700 0.011 0.000 1.019 246 T CA -0.003 62.105 62.100 0.014 0.000 1.013 246 T CB 1.016 69.896 68.868 0.020 0.000 1.117 246 T HN 1.131 nan 8.240 nan 0.000 0.533 247 S N 0.591 116.296 115.700 0.008 0.000 2.413 247 S HA -0.227 4.243 4.470 0.000 0.000 0.237 247 S C 1.168 175.772 174.600 0.007 0.000 1.044 247 S CA 1.754 59.958 58.200 0.006 0.000 1.024 247 S CB -0.672 62.530 63.200 0.004 0.000 0.829 247 S HN 0.870 nan 8.310 nan 0.000 0.475 248 E N -0.635 119.571 120.200 0.010 0.000 2.441 248 E HA 0.450 4.800 4.350 0.000 0.000 0.212 248 E C -0.222 176.386 176.600 0.013 0.000 0.840 248 E CA -0.070 56.336 56.400 0.011 0.000 1.143 248 E CB 0.771 30.477 29.700 0.010 0.000 1.153 248 E HN 0.269 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 0.542 4.662 4.120 0.000 0.000 0.306 249 V C 1.087 177.193 176.094 0.020 0.000 1.045 249 V CA -0.221 62.090 62.300 0.020 0.000 0.905 249 V CB 1.608 33.445 31.823 0.024 0.000 0.997 249 V HN 0.300 nan 8.190 nan 0.000 0.436 250 G N 3.500 112.311 108.800 0.018 0.000 2.887 250 G HA2 -0.126 3.834 3.960 0.000 0.000 0.189 250 G HA3 -0.126 3.834 3.960 0.000 0.000 0.189 250 G C 0.610 175.527 174.900 0.027 0.000 1.467 250 G CA 1.020 46.131 45.100 0.019 0.000 0.818 250 G HN 0.926 nan 8.290 nan 0.000 0.641 251 S N -0.828 114.889 115.700 0.027 0.000 2.449 251 S HA 0.438 4.908 4.470 0.000 0.000 0.310 251 S C 1.250 175.871 174.600 0.035 0.000 1.096 251 S CA -0.778 57.444 58.200 0.037 0.000 1.095 251 S CB 1.346 64.565 63.200 0.031 0.000 1.007 251 S HN 0.228 nan 8.310 nan 0.000 0.474 252 L N 5.764 127.019 121.223 0.053 0.000 1.989 252 L HA -0.121 4.219 4.340 0.000 0.000 0.211 252 L C 2.859 179.727 176.870 -0.002 0.000 1.071 252 L CA 2.270 57.135 54.840 0.042 0.000 0.749 252 L CB -1.158 40.960 42.059 0.098 0.000 0.890 252 L HN 0.811 nan 8.230 nan 0.000 0.431 253 V N -2.123 117.784 119.914 -0.012 0.000 2.332 253 V HA -0.183 3.937 4.120 0.000 0.000 0.248 253 V C 2.352 178.433 176.094 -0.021 0.000 1.055 253 V CA 1.901 64.177 62.300 -0.041 0.000 1.038 253 V CB -1.924 29.872 31.823 -0.045 0.000 0.651 253 V HN 0.398 nan 8.190 nan 0.000 0.450 254 G N 1.282 110.082 108.800 -0.001 0.000 2.679 254 G HA2 -0.370 3.590 3.960 0.000 0.000 0.217 254 G HA3 -0.370 3.590 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 2.604 47.706 45.100 0.002 0.000 0.799 254 G HN 0.946 nan 8.290 nan 0.000 0.606 255 S N 0.049 115.752 115.700 0.004 0.000 2.383 255 S HA -0.176 4.294 4.470 0.000 0.000 0.229 255 S C 2.413 177.013 174.600 -0.001 0.000 1.030 255 S CA 2.014 60.216 58.200 0.005 0.000 1.002 255 S CB -0.639 62.566 63.200 0.010 0.000 0.829 255 S HN 0.410 nan 8.310 nan 0.000 0.467 256 S N 1.487 117.181 115.700 -0.009 0.000 2.348 256 S HA -0.104 4.366 4.470 0.000 0.000 0.221 256 S C 2.128 176.717 174.600 -0.018 0.000 1.033 256 S CA 1.581 59.770 58.200 -0.018 0.000 1.010 256 S CB -0.969 62.209 63.200 -0.038 0.000 0.891 256 S HN 0.634 nan 8.310 nan 0.000 0.442 257 S N 0.949 116.638 115.700 -0.019 0.000 2.359 257 S HA -0.130 4.340 4.470 0.000 0.000 0.223 257 S C 2.034 176.631 174.600 -0.006 0.000 1.039 257 S CA 1.960 60.151 58.200 -0.014 0.000 1.042 257 S CB -1.190 62.001 63.200 -0.014 0.000 0.915 257 S HN 0.745 nan 8.310 nan 0.000 0.439 258 T N 3.298 117.851 114.554 -0.002 0.000 2.570 258 T HA -0.133 4.217 4.350 0.000 0.000 0.266 258 T C 1.835 176.538 174.700 0.005 0.000 1.071 258 T CA 1.653 63.755 62.100 0.004 0.000 1.172 258 T CB -0.837 68.035 68.868 0.006 0.000 0.864 258 T HN 0.238 nan 8.240 nan 0.000 0.421 259 L N 0.860 122.086 121.223 0.005 0.000 2.043 259 L HA -0.152 4.188 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 1.237 56.081 54.840 0.007 0.000 0.752 259 L CB -0.737 41.326 42.059 0.006 0.000 0.891 259 L HN 0.224 nan 8.230 nan 0.000 0.432 260 S N -0.818 114.881 115.700 -0.001 0.000 2.368 260 S HA -0.224 4.246 4.470 0.000 0.000 0.225 260 S C 1.961 176.561 174.600 -0.001 0.000 1.030 260 S CA 1.205 59.403 58.200 -0.003 0.000 0.999 260 S CB -0.231 62.963 63.200 -0.010 0.000 0.844 260 S HN 0.463 nan 8.310 nan 0.000 0.459 261 Q N 0.773 120.573 119.800 0.001 0.000 2.135 261 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 261 Q C 2.511 178.516 176.000 0.008 0.000 0.981 261 Q CA 1.451 57.256 55.803 0.004 0.000 0.856 261 Q CB -0.410 28.331 28.738 0.005 0.000 0.902 261 Q HN 0.608 nan 8.270 nan 0.000 0.425 262 A N 1.220 124.047 122.820 0.011 0.000 1.858 262 A HA -0.207 4.113 4.320 0.000 0.000 0.216 262 A C 2.077 179.670 177.584 0.015 0.000 1.190 262 A CA 1.362 53.408 52.037 0.016 0.000 0.617 262 A CB -0.796 18.216 19.000 0.020 0.000 0.827 262 A HN 0.299 nan 8.150 nan 0.000 0.443 263 I N 0.773 121.349 120.570 0.010 0.000 2.074 263 I HA -0.373 3.797 4.170 0.000 0.000 0.238 263 I C 2.952 179.071 176.117 0.003 0.000 1.037 263 I CA 2.197 63.501 61.300 0.007 0.000 1.301 263 I CB -0.487 37.515 38.000 0.004 0.000 1.016 263 I HN 0.535 nan 8.210 nan 0.000 0.400 264 S N 0.084 115.785 115.700 0.001 0.000 2.419 264 S HA -0.196 4.274 4.470 0.000 0.000 0.233 264 S C 2.041 176.640 174.600 -0.003 0.000 1.016 264 S CA 1.562 59.760 58.200 -0.002 0.000 0.974 264 S CB -1.268 61.929 63.200 -0.004 0.000 0.786 264 S HN 0.640 nan 8.310 nan 0.000 0.492 265 T N -0.384 114.172 114.554 0.003 0.000 2.746 265 T HA -0.019 4.331 4.350 0.000 0.000 0.267 265 T C 1.723 176.425 174.700 0.004 0.000 1.039 265 T CA 1.347 63.451 62.100 0.006 0.000 1.142 265 T CB -0.573 68.305 68.868 0.017 0.000 0.866 265 T HN 0.243 nan 8.240 nan 0.000 0.444 266 M N 2.128 121.733 119.600 0.007 0.000 2.108 266 M HA 0.186 4.666 4.480 0.000 0.000 0.261 266 M C 2.658 178.951 176.300 -0.011 0.000 1.066 266 M CA 1.267 56.569 55.300 0.004 0.000 1.107 266 M CB -1.164 31.442 32.600 0.009 0.000 1.356 266 M HN 0.449 nan 8.290 nan 0.000 0.406 267 A N -0.684 122.129 122.820 -0.012 0.000 1.892 267 A HA -0.096 4.224 4.320 0.000 0.000 0.218 267 A C 2.353 179.918 177.584 -0.032 0.000 1.188 267 A CA 2.030 54.056 52.037 -0.019 0.000 0.631 267 A CB -1.653 17.339 19.000 -0.014 0.000 0.822 267 A HN 0.555 nan 8.150 nan 0.000 0.447 268 G N -1.054 107.726 108.800 -0.033 0.000 2.448 268 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 268 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 268 G C 1.578 176.429 174.900 -0.083 0.000 1.135 268 G CA 0.982 46.054 45.100 -0.048 0.000 0.784 268 G HN 0.555 nan 8.290 nan 0.000 0.543 269 K N 0.153 120.506 120.400 -0.078 0.000 2.217 269 K HA -0.090 4.230 4.320 0.000 0.000 0.202 269 K C 0.792 177.304 176.600 -0.147 0.000 1.051 269 K CA 0.720 56.929 56.287 -0.131 0.000 0.952 269 K CB -0.074 32.387 32.500 -0.067 0.000 0.736 269 K HN 0.164 nan 8.250 nan 0.000 0.453 270 D N -0.054 120.293 120.400 -0.089 0.000 2.911 270 D HA -0.220 4.420 4.640 0.000 0.000 0.227 270 D C 0.335 176.607 176.300 -0.046 0.000 1.164 270 D CA 0.774 54.735 54.000 -0.065 0.000 0.782 270 D CB -0.554 40.202 40.800 -0.074 0.000 1.094 270 D HN 0.235 nan 8.370 nan 0.000 0.425 271 L N -0.363 120.838 121.223 -0.036 0.000 3.400 271 L HA -0.437 3.903 4.340 0.000 0.000 0.158 271 L C 1.968 178.840 176.870 0.002 0.000 4.462 271 L CA 2.952 57.784 54.840 -0.013 0.000 0.423 271 L CB -1.660 40.396 42.059 -0.004 0.000 3.561 271 L HN 0.210 nan 8.230 nan 0.000 0.641 272 D N -0.715 119.685 120.400 0.000 0.000 2.200 272 D HA -0.245 4.395 4.640 0.000 0.000 0.192 272 D C 2.075 178.404 176.300 0.049 0.000 1.008 272 D CA 2.041 56.051 54.000 0.016 0.000 0.872 272 D CB -0.150 40.654 40.800 0.006 0.000 0.923 272 D HN 0.305 nan 8.370 nan 0.000 0.447 273 L N 1.066 122.316 121.223 0.045 0.000 2.223 273 L HA -0.294 4.046 4.340 0.000 0.000 0.230 273 L C 2.346 179.386 176.870 0.283 0.000 1.110 273 L CA 1.609 56.538 54.840 0.148 0.000 0.834 273 L CB -0.638 41.418 42.059 -0.006 0.000 0.915 273 L HN 0.218 nan 8.230 nan 0.000 0.450 274 I N -1.238 119.439 120.570 0.178 0.000 2.493 274 I HA -0.160 4.010 4.170 0.000 0.000 0.254 274 I C 0.926 177.091 176.117 0.080 0.000 1.160 274 I CA 0.775 62.155 61.300 0.135 0.000 1.445 274 I CB -0.959 37.091 38.000 0.083 0.000 1.086 274 I HN 0.278 nan 8.210 nan 0.000 0.433 275 E N 1.609 121.847 120.200 0.063 0.000 2.341 275 E HA 0.423 4.773 4.350 0.000 0.000 0.279 275 E C -0.150 176.471 176.600 0.035 0.000 1.395 275 E CA -0.072 56.349 56.400 0.036 0.000 1.648 275 E CB 0.182 29.896 29.700 0.022 0.000 1.524 275 E HN 0.262 nan 8.360 nan 0.000 0.462 276 A N 1.171 124.014 122.820 0.038 0.000 2.466 276 A HA 0.380 4.700 4.320 0.000 0.000 0.291 276 A C -0.239 177.345 177.584 -0.000 0.000 1.234 276 A CA -0.729 51.324 52.037 0.027 0.000 0.752 276 A CB 0.618 19.653 19.000 0.059 0.000 1.153 276 A HN 0.170 nan 8.150 nan 0.000 0.458 277 D N 0.748 121.142 120.400 -0.009 0.000 2.197 277 D HA 0.061 4.701 4.640 0.000 0.000 0.212 277 D C 1.007 177.271 176.300 -0.060 0.000 0.963 277 D CA 1.851 55.836 54.000 -0.024 0.000 0.864 277 D CB 0.205 40.997 40.800 -0.013 0.000 1.009 277 D HN 0.593 nan 8.370 nan 0.000 0.479 278 T N -0.851 113.672 114.554 -0.050 0.000 2.859 278 T HA 0.508 4.858 4.350 0.000 0.000 0.281 278 T C -2.689 171.976 174.700 -0.058 0.000 1.005 278 T CA -2.257 59.807 62.100 -0.061 0.000 1.025 278 T CB 1.442 70.287 68.868 -0.039 0.000 0.977 278 T HN -0.284 nan 8.240 nan 0.000 0.458 279 P HA 0.013 nan 4.420 nan 0.000 0.241 279 P C -0.973 176.314 177.300 -0.020 0.000 1.093 279 P CA 0.121 63.184 63.100 -0.061 0.000 0.843 279 P CB -0.169 31.496 31.700 -0.057 0.000 0.760 280 L N 7.454 128.675 121.223 -0.003 0.000 2.287 280 L HA 0.496 4.836 4.340 0.000 0.000 0.287 280 L C -2.228 174.689 176.870 0.079 0.000 1.022 280 L CA -2.508 52.363 54.840 0.052 0.000 0.814 280 L CB 1.166 43.288 42.059 0.105 0.000 1.217 280 L HN 0.165 nan 8.230 nan 0.000 0.420 281 P HA -0.020 nan 4.420 nan 0.000 0.266 281 P C 1.303 178.668 177.300 0.109 0.000 1.215 281 P CA -0.037 63.105 63.100 0.069 0.000 0.763 281 P CB 0.846 32.571 31.700 0.041 0.000 0.806 282 V N 2.834 122.812 119.914 0.106 0.000 2.251 282 V HA -0.405 3.715 4.120 0.000 0.000 0.259 282 V C 2.213 178.389 176.094 0.136 0.000 1.078 282 V CA 3.029 65.410 62.300 0.135 0.000 1.072 282 V CB -2.652 29.228 31.823 0.096 0.000 0.681 282 V HN 0.618 nan 8.190 nan 0.000 0.454 283 S N 0.410 116.158 115.700 0.080 0.000 2.387 283 S HA -0.183 4.287 4.470 0.000 0.000 0.230 283 S C 1.857 176.475 174.600 0.029 0.000 1.035 283 S CA 1.894 60.124 58.200 0.051 0.000 1.014 283 S CB -1.018 62.200 63.200 0.029 0.000 0.836 283 S HN 0.606 nan 8.310 nan 0.000 0.466 284 V N 0.553 120.485 119.914 0.030 0.000 2.270 284 V HA -0.033 4.087 4.120 0.000 0.000 0.245 284 V C 2.137 178.175 176.094 -0.093 0.000 1.043 284 V CA 2.004 64.296 62.300 -0.014 0.000 1.014 284 V CB -0.874 30.954 31.823 0.009 0.000 0.645 284 V HN 0.532 nan 8.190 nan 0.000 0.447 285 F N 0.898 120.848 119.950 -0.000 0.000 2.187 285 F HA 0.007 4.534 4.527 0.000 0.000 0.295 285 F C 1.371 177.215 175.800 0.073 0.000 1.091 285 F CA 0.925 58.931 58.000 0.010 0.000 1.308 285 F CB -0.106 38.930 39.000 0.059 0.000 1.030 285 F HN 0.038 nan 8.300 nan 0.000 0.487 286 T N 3.679 118.333 114.554 0.166 0.000 2.761 286 T HA 0.216 4.566 4.350 0.000 0.000 0.296 286 T C -1.889 172.866 174.700 0.092 0.000 0.934 286 T CA -1.117 61.106 62.100 0.205 0.000 1.091 286 T CB 1.310 70.296 68.868 0.197 0.000 0.896 286 T HN 0.046 nan 8.240 nan 0.000 0.515 287 P HA 0.243 nan 4.420 nan 0.000 0.322 287 P C -0.029 177.308 177.300 0.062 0.000 1.414 287 P CA -0.516 62.626 63.100 0.071 0.000 0.876 287 P CB 0.268 32.025 31.700 0.095 0.000 2.176 288 S N -0.734 114.997 115.700 0.051 0.000 2.499 288 S HA 0.455 4.925 4.470 0.000 0.000 0.279 288 S C -0.414 174.207 174.600 0.036 0.000 1.219 288 S CA -0.509 57.713 58.200 0.037 0.000 1.062 288 S CB -1.026 62.189 63.200 0.025 0.000 0.978 288 S HN 0.110 nan 8.310 nan 0.000 0.489 289 L N 3.595 124.837 121.223 0.031 0.000 2.331 289 L HA 0.783 5.123 4.340 0.000 0.000 0.275 289 L C 0.126 177.006 176.870 0.016 0.000 1.022 289 L CA -0.601 54.256 54.840 0.027 0.000 0.812 289 L CB 1.731 43.809 42.059 0.032 0.000 1.257 289 L HN 0.745 nan 8.230 nan 0.000 0.435 290 A N 3.706 126.534 122.820 0.013 0.000 2.337 290 A HA 0.844 5.164 4.320 0.000 0.000 0.331 290 A C -2.560 175.027 177.584 0.006 0.000 1.137 290 A CA -1.673 50.368 52.037 0.006 0.000 0.807 290 A CB 0.799 19.799 19.000 0.001 0.000 1.250 290 A HN 0.425 nan 8.150 nan 0.000 0.468 291 P HA 0.205 nan 4.420 nan 0.000 0.267 291 P C -0.407 176.887 177.300 -0.010 0.000 1.201 291 P CA 0.156 63.260 63.100 0.006 0.000 0.775 291 P CB 0.371 32.075 31.700 0.007 0.000 0.854 292 R N 0.459 120.954 120.500 -0.007 0.000 2.867 292 R HA 0.606 4.946 4.340 0.000 0.000 0.268 292 R C -0.787 175.379 176.300 -0.223 0.000 1.014 292 R CA -0.737 55.274 56.100 -0.149 0.000 0.946 292 R CB 1.777 31.936 30.300 -0.235 0.000 1.208 292 R HN 0.316 nan 8.270 nan 0.000 0.477 293 S N 1.287 116.729 115.700 -0.430 0.000 2.498 293 S HA 0.617 5.087 4.470 0.000 0.000 0.317 293 S C -1.260 173.091 174.600 -0.415 0.000 1.090 293 S CA -0.512 57.534 58.200 -0.258 0.000 1.089 293 S CB 0.638 63.773 63.200 -0.109 0.000 0.997 293 S HN 0.330 nan 8.310 nan 0.000 0.470 294 Y N 1.452 121.836 120.300 0.141 0.000 2.602 294 Y HA 0.611 5.161 4.550 0.000 0.000 0.342 294 Y C 0.439 176.413 175.900 0.123 0.000 1.029 294 Y CA -1.396 56.807 58.100 0.172 0.000 1.080 294 Y CB 1.390 40.062 38.460 0.353 0.000 1.284 294 Y HN 0.543 nan 8.280 nan 0.000 0.485 295 R N 0.771 121.421 120.500 0.250 0.000 2.589 295 R HA 0.601 4.941 4.340 0.000 0.000 0.293 295 R C -2.807 173.547 176.300 0.090 0.000 0.963 295 R CA -1.731 54.458 56.100 0.148 0.000 0.905 295 R CB 1.704 32.072 30.300 0.114 0.000 1.144 295 R HN 0.268 nan 8.270 nan 0.000 0.459 296 P HA -0.180 nan 4.420 nan 0.000 0.199 296 P C 0.763 178.042 177.300 -0.035 0.000 1.146 296 P CA 2.245 65.340 63.100 -0.008 0.000 0.905 296 P CB -0.078 31.616 31.700 -0.011 0.000 0.737 297 A N -1.401 121.365 122.820 -0.089 0.000 5.159 297 A HA -0.300 4.020 4.320 0.000 0.000 0.362 297 A C 1.109 178.520 177.584 -0.288 0.000 1.583 297 A CA 2.635 54.550 52.037 -0.205 0.000 0.689 297 A CB -2.278 16.695 19.000 -0.045 0.000 1.532 297 A HN 0.298 nan 8.150 nan 0.000 0.417 298 F N -1.292 118.655 119.950 -0.005 0.000 2.850 298 F HA 0.479 5.006 4.527 0.000 0.000 0.329 298 F C 0.506 176.294 175.800 -0.020 0.000 1.182 298 F CA -0.455 57.538 58.000 -0.013 0.000 1.270 298 F CB 0.589 39.586 39.000 -0.005 0.000 0.979 298 F HN 0.412 nan 8.300 nan 0.000 0.506 299 I N 1.229 121.867 120.570 0.113 0.000 3.138 299 I HA 0.111 4.281 4.170 0.000 0.000 0.288 299 I C 0.091 176.210 176.117 0.003 0.000 1.148 299 I CA -0.105 61.217 61.300 0.037 0.000 1.315 299 I CB 0.438 38.429 38.000 -0.015 0.000 1.426 299 I HN -0.117 nan 8.210 nan 0.000 0.615 300 K N 6.638 127.019 120.400 -0.032 0.000 2.449 300 K HA 0.323 4.643 4.320 0.000 0.000 0.257 300 K C -2.021 174.533 176.600 -0.077 0.000 0.989 300 K CA -1.784 54.480 56.287 -0.038 0.000 0.916 300 K CB 1.105 33.590 32.500 -0.024 0.000 1.136 300 K HN 0.259 nan 8.250 nan 0.000 0.439 301 P HA -0.240 nan 4.420 nan 0.000 0.219 301 P C 0.572 177.819 177.300 -0.090 0.000 1.153 301 P CA 1.502 64.542 63.100 -0.100 0.000 0.865 301 P CB 0.467 32.113 31.700 -0.090 0.000 0.788 302 E N -0.768 119.391 120.200 -0.068 0.000 2.085 302 E HA -0.170 4.180 4.350 0.000 0.000 0.194 302 E C 1.748 178.314 176.600 -0.055 0.000 0.994 302 E CA 1.318 57.685 56.400 -0.056 0.000 0.801 302 E CB -0.568 29.105 29.700 -0.044 0.000 0.743 302 E HN 0.395 nan 8.360 nan 0.000 0.453 303 D N -0.439 119.925 120.400 -0.061 0.000 2.301 303 D HA 0.081 4.721 4.640 0.000 0.000 0.206 303 D C 0.143 176.399 176.300 -0.073 0.000 0.979 303 D CA 0.408 54.376 54.000 -0.053 0.000 0.874 303 D CB 0.347 41.126 40.800 -0.035 0.000 0.968 303 D HN 0.069 nan 8.370 nan 0.000 0.510 304 A N 1.838 124.580 122.820 -0.131 0.000 2.798 304 A HA 0.133 4.453 4.320 0.000 0.000 0.316 304 A C 1.271 178.692 177.584 -0.271 0.000 1.506 304 A CA -0.424 51.467 52.037 -0.244 0.000 1.162 304 A CB 0.191 18.976 19.000 -0.358 0.000 1.138 304 A HN -0.059 nan 8.150 nan 0.000 0.532 305 K N 1.788 122.108 120.400 -0.132 0.000 2.044 305 K HA -0.221 4.099 4.320 0.000 0.000 0.224 305 K C 1.564 178.145 176.600 -0.031 0.000 1.056 305 K CA 2.446 58.711 56.287 -0.037 0.000 0.962 305 K CB -0.272 32.274 32.500 0.077 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.714 121.971 121.300 -0.071 0.000 3.077 306 W HA 0.269 4.929 4.660 0.000 0.000 0.245 306 W C 0.289 176.758 176.519 -0.083 0.000 1.316 306 W CA -0.073 57.217 57.345 -0.092 0.000 1.537 306 W CB -0.445 28.934 29.460 -0.136 0.000 1.131 306 W HN -0.020 nan 8.180 nan 0.000 0.695 307 I N 1.110 121.278 120.570 -0.671 0.000 2.586 307 I HA 0.530 4.700 4.170 0.000 0.000 0.281 307 I C -0.463 175.431 176.117 -0.371 0.000 1.145 307 I CA -0.209 60.736 61.300 -0.593 0.000 1.073 307 I CB 0.878 38.237 38.000 -1.068 0.000 1.238 307 I HN -0.097 nan 8.210 nan 0.000 0.461 308 A N 5.801 128.505 122.820 -0.193 0.000 2.468 308 A HA 0.911 5.231 4.320 0.000 0.000 0.270 308 A C -0.990 176.540 177.584 -0.089 0.000 1.217 308 A CA -0.422 51.539 52.037 -0.126 0.000 0.908 308 A CB 1.541 20.490 19.000 -0.084 0.000 1.423 308 A HN 0.543 nan 8.150 nan 0.000 0.459 309 E N -0.681 119.471 120.200 -0.079 0.000 2.317 309 E HA 0.455 4.805 4.350 0.000 0.000 0.270 309 E C -1.678 174.871 176.600 -0.083 0.000 0.885 309 E CA -0.593 55.770 56.400 -0.061 0.000 0.760 309 E CB 1.782 31.437 29.700 -0.076 0.000 1.227 309 E HN 0.431 nan 8.360 nan 0.000 0.434 310 F N 3.580 123.477 119.950 -0.089 0.000 2.553 310 F HA 0.058 4.585 4.527 0.000 0.000 0.356 310 F C 0.809 176.567 175.800 -0.070 0.000 1.142 310 F CA -0.106 57.841 58.000 -0.089 0.000 1.322 310 F CB 0.485 39.428 39.000 -0.096 0.000 1.126 310 F HN 0.299 nan 8.300 nan 0.000 0.599 311 N N 3.842 121.630 118.700 -1.520 0.000 2.443 311 N HA 0.146 4.886 4.740 0.000 0.000 0.295 311 N C -0.972 174.143 175.510 -0.659 0.000 1.076 311 N CA -0.867 51.678 53.050 -0.842 0.000 0.919 311 N CB 0.949 39.069 38.487 -0.612 0.000 1.176 311 N HN 0.603 nan 8.380 nan 0.000 0.487 312 N N 0.871 119.416 118.700 -0.258 0.000 2.395 312 N HA -0.055 4.685 4.740 0.000 0.000 0.246 312 N C -1.012 174.466 175.510 -0.053 0.000 1.246 312 N CA 0.715 53.715 53.050 -0.083 0.000 0.879 312 N CB 0.095 38.553 38.487 -0.049 0.000 1.098 312 N HN 0.695 nan 8.380 nan 0.000 0.444 313 S N 0.156 115.883 115.700 0.044 0.000 3.027 313 S HA -0.024 4.446 4.470 0.000 0.000 0.809 313 S C 0.179 174.881 174.600 0.170 0.000 0.729 313 S CA 0.140 58.382 58.200 0.069 0.000 1.515 313 S CB -2.004 61.206 63.200 0.015 0.000 1.062 313 S HN 1.099 nan 8.310 nan 0.000 0.682 314 S N 1.485 117.277 115.700 0.152 0.000 6.372 314 S HA 0.488 4.958 4.470 0.000 0.000 0.097 314 S C -0.305 174.303 174.600 0.013 0.000 1.206 314 S CA -0.080 58.184 58.200 0.107 0.000 1.380 314 S CB -0.153 63.154 63.200 0.179 0.000 1.932 314 S HN 1.772 nan 8.310 nan 0.000 0.560 315 L N 2.128 123.339 121.223 -0.021 0.000 2.108 315 L HA -0.008 4.332 4.340 0.000 0.000 0.685 315 L C -1.538 175.271 176.870 -0.101 0.000 1.058 315 L CA -0.045 54.758 54.840 -0.060 0.000 1.399 315 L CB -1.127 40.907 42.059 -0.042 0.000 2.171 315 L HN 0.591 nan 8.230 nan 0.000 0.994 316 I N 2.356 122.834 120.570 -0.154 0.000 2.347 316 I HA 0.268 4.438 4.170 0.000 0.000 0.283 316 I C 1.167 177.194 176.117 -0.151 0.000 1.058 316 I CA -0.529 60.678 61.300 -0.154 0.000 1.202 316 I CB 1.030 38.915 38.000 -0.191 0.000 1.386 316 I HN 0.482 nan 8.210 nan 0.000 0.475 317 R N 3.107 123.530 120.500 -0.128 0.000 1.991 317 R HA 0.152 4.492 4.340 0.000 0.000 0.205 317 R C 0.516 176.718 176.300 -0.163 0.000 1.356 317 R CA 0.118 56.134 56.100 -0.140 0.000 1.066 317 R CB -0.297 29.939 30.300 -0.108 0.000 0.854 317 R HN 0.128 nan 8.270 nan 0.000 0.487 318 K N 2.428 122.753 120.400 -0.125 0.000 2.310 318 K HA 0.119 4.439 4.320 0.000 0.000 0.290 318 K C -1.188 175.354 176.600 -0.096 0.000 1.077 318 K CA 0.025 56.240 56.287 -0.120 0.000 0.922 318 K CB 0.599 33.044 32.500 -0.091 0.000 1.057 318 K HN 0.473 nan 8.250 nan 0.000 0.479 319 T N 2.430 116.923 114.554 -0.102 0.000 2.812 319 T HA 0.357 4.707 4.350 0.000 0.000 0.282 319 T C -0.371 174.319 174.700 -0.016 0.000 0.990 319 T CA -1.054 61.013 62.100 -0.056 0.000 0.960 319 T CB 0.836 69.677 68.868 -0.045 0.000 0.948 319 T HN 0.408 nan 8.240 nan 0.000 0.438 320 L N 4.654 125.869 121.223 -0.013 0.000 2.559 320 L HA 0.243 4.583 4.340 0.000 0.000 0.274 320 L C 1.573 178.462 176.870 0.032 0.000 1.205 320 L CA 1.204 56.044 54.840 -0.001 0.000 0.907 320 L CB 0.582 42.625 42.059 -0.027 0.000 1.153 320 L HN 1.071 nan 8.230 nan 0.000 0.490 321 T N 1.979 116.577 114.554 0.073 0.000 3.000 321 T HA 0.169 4.519 4.350 0.000 0.000 0.248 321 T C 0.120 174.917 174.700 0.160 0.000 1.034 321 T CA 0.076 62.254 62.100 0.128 0.000 1.060 321 T CB -0.019 68.970 68.868 0.201 0.000 0.983 321 T HN 0.446 nan 8.240 nan 0.000 0.482 322 Y N 1.011 121.333 120.300 0.037 0.000 2.829 322 Y HA 0.575 5.125 4.550 0.000 0.000 0.322 322 Y C -1.122 174.790 175.900 0.020 0.000 1.357 322 Y CA -2.114 56.002 58.100 0.027 0.000 1.081 322 Y CB 1.449 39.926 38.460 0.028 0.000 1.339 322 Y HN -0.015 nan 8.280 nan 0.000 0.469 323 S N 1.841 116.458 115.700 -1.804 0.000 2.519 323 S HA 0.341 4.811 4.470 0.000 0.000 0.310 323 S C 0.742 175.067 174.600 -0.459 0.000 1.201 323 S CA 0.747 58.404 58.200 -0.906 0.000 1.179 323 S CB -0.672 62.107 63.200 -0.702 0.000 1.104 323 S HN 1.383 nan 8.310 nan 0.000 0.527 324 G N 2.442 111.089 108.800 -0.256 0.000 2.341 324 G HA2 -0.071 3.889 3.960 0.000 0.000 0.292 324 G HA3 -0.071 3.889 3.960 0.000 0.000 0.292 324 G C 0.060 174.923 174.900 -0.061 0.000 1.021 324 G CA 0.185 45.214 45.100 -0.120 0.000 0.905 324 G HN 1.194 nan 8.290 nan 0.000 0.508 325 A N -0.650 122.135 122.820 -0.058 0.000 2.414 325 A HA 1.003 5.323 4.320 0.000 0.000 0.306 325 A C 0.025 177.640 177.584 0.051 0.000 1.054 325 A CA 0.350 52.409 52.037 0.036 0.000 0.724 325 A CB 1.773 20.861 19.000 0.148 0.000 1.267 325 A HN 1.633 nan 8.150 nan 0.000 0.418 326 T N -0.902 113.692 114.554 0.067 0.000 2.893 326 T HA 0.644 4.994 4.350 0.000 0.000 0.293 326 T C -1.148 173.616 174.700 0.105 0.000 1.027 326 T CA -0.494 61.642 62.100 0.059 0.000 0.988 326 T CB 1.352 70.222 68.868 0.005 0.000 1.043 326 T HN 1.121 nan 8.240 nan 0.000 0.461 327 Y N 1.826 122.123 120.300 -0.006 0.000 2.442 327 Y HA 0.555 5.105 4.550 0.000 0.000 0.344 327 Y C -0.200 175.692 175.900 -0.013 0.000 0.976 327 Y CA -0.974 57.114 58.100 -0.019 0.000 1.040 327 Y CB 2.014 40.490 38.460 0.027 0.000 1.228 327 Y HN 0.951 nan 8.280 nan 0.000 0.451 328 T N 3.202 117.274 114.554 -0.804 0.000 2.782 328 T HA 0.166 4.516 4.350 0.000 0.000 0.298 328 T C 0.870 174.927 174.700 -1.071 0.000 0.944 328 T CA -0.346 61.334 62.100 -0.699 0.000 1.001 328 T CB 0.679 69.378 68.868 -0.281 0.000 0.932 328 T HN 0.668 nan 8.240 nan 0.000 0.524 329 V N 2.770 122.201 119.914 -0.805 0.000 2.759 329 V HA -0.076 4.044 4.120 0.000 0.000 0.256 329 V C 1.646 177.665 176.094 -0.124 0.000 1.080 329 V CA 1.780 63.859 62.300 -0.368 0.000 1.101 329 V CB -1.085 30.675 31.823 -0.104 0.000 0.698 329 V HN 1.147 nan 8.190 nan 0.000 0.477 330 Q N -1.061 118.633 119.800 -0.177 0.000 2.481 330 Q HA -0.240 4.100 4.340 0.000 0.000 0.272 330 Q C -0.141 175.792 176.000 -0.111 0.000 1.157 330 Q CA 0.886 56.608 55.803 -0.135 0.000 0.935 330 Q CB -2.347 26.314 28.738 -0.129 0.000 1.338 330 Q HN 0.590 nan 8.270 nan 0.000 0.494 331 L N -0.340 120.806 121.223 -0.130 0.000 2.780 331 L HA 0.290 4.630 4.340 0.000 0.000 0.275 331 L C 1.082 177.922 176.870 -0.050 0.000 1.153 331 L CA 2.130 56.877 54.840 -0.154 0.000 0.993 331 L CB -0.267 41.568 42.059 -0.373 0.000 1.319 331 L HN 0.413 nan 8.230 nan 0.000 0.479 332 G N 4.201 113.053 108.800 0.087 0.000 3.507 332 G HA2 0.226 4.186 3.960 0.000 0.000 0.162 332 G HA3 0.226 4.186 3.960 0.000 0.000 0.162 332 G C -2.818 172.167 174.900 0.141 0.000 1.230 332 G CA -0.123 45.079 45.100 0.170 0.000 1.412 332 G HN 0.379 nan 8.290 nan 0.000 0.723 333 P HA 0.240 nan 4.420 nan 0.000 0.263 333 P C 0.695 177.995 177.300 -0.001 0.000 1.345 333 P CA 1.456 64.558 63.100 0.003 0.000 1.119 333 P CB 0.023 31.712 31.700 -0.019 0.000 1.363 334 G N 4.572 113.371 108.800 -0.002 0.000 2.323 334 G HA2 -0.198 3.762 3.960 0.000 0.000 0.292 334 G HA3 -0.198 3.762 3.960 0.000 0.000 0.292 334 G C -2.177 172.720 174.900 -0.005 0.000 1.040 334 G CA -0.776 44.313 45.100 -0.019 0.000 0.942 334 G HN 0.353 nan 8.290 nan 0.000 0.506 335 P HA 0.282 nan 4.420 nan 0.000 0.263 335 P C 1.359 178.667 177.300 0.014 0.000 1.345 335 P CA 0.895 64.019 63.100 0.040 0.000 1.119 335 P CB -0.073 31.674 31.700 0.080 0.000 1.363 336 T N 1.404 115.939 114.554 -0.032 0.000 13.732 336 T HA -0.270 4.080 4.350 0.000 0.000 0.419 336 T C 0.592 175.270 174.700 -0.037 0.000 1.441 336 T CA 0.836 62.904 62.100 -0.053 0.000 2.344 336 T CB -0.874 67.961 68.868 -0.056 0.000 2.781 336 T HN 0.436 nan 8.240 nan 0.000 0.464 337 R N 0.430 120.923 120.500 -0.011 0.000 2.663 337 R HA 0.567 4.907 4.340 0.000 0.000 0.267 337 R C -1.225 175.088 176.300 0.022 0.000 1.038 337 R CA -0.453 55.639 56.100 -0.013 0.000 0.886 337 R CB 1.708 31.982 30.300 -0.043 0.000 1.249 337 R HN 0.739 nan 8.270 nan 0.000 0.463 338 V N 0.249 120.171 119.914 0.013 0.000 2.311 338 V HA 0.536 4.656 4.120 0.000 0.000 0.275 338 V C 0.049 176.183 176.094 0.066 0.000 1.022 338 V CA -0.820 61.511 62.300 0.052 0.000 0.830 338 V CB 0.749 32.590 31.823 0.030 0.000 1.012 338 V HN 0.503 nan 8.190 nan 0.000 0.452 339 I N 5.386 126.039 120.570 0.138 0.000 2.363 339 I HA 0.266 4.436 4.170 0.000 0.000 0.292 339 I C 0.490 176.709 176.117 0.170 0.000 1.075 339 I CA 0.411 61.803 61.300 0.153 0.000 1.333 339 I CB 0.364 38.520 38.000 0.260 0.000 1.415 339 I HN 0.587 nan 8.210 nan 0.000 0.502 340 D N 8.370 128.849 120.400 0.132 0.000 2.558 340 D HA 0.110 4.750 4.640 0.000 0.000 0.221 340 D C 0.476 176.785 176.300 0.016 0.000 1.143 340 D CA -0.009 54.062 54.000 0.119 0.000 1.010 340 D CB 0.744 41.610 40.800 0.110 0.000 1.068 340 D HN 0.404 nan 8.370 nan 0.000 0.511 341 M N 1.002 120.505 119.600 -0.161 0.000 2.723 341 M HA 0.033 4.513 4.480 0.000 0.000 0.270 341 M C 0.331 176.406 176.300 -0.375 0.000 1.282 341 M CA -0.332 54.617 55.300 -0.585 0.000 0.995 341 M CB -1.332 30.448 32.600 -1.367 0.000 1.430 341 M HN -0.018 nan 8.290 nan 0.000 0.477 342 N N 1.585 120.205 118.700 -0.132 0.000 2.508 342 N HA 0.351 5.091 4.740 0.000 0.000 0.253 342 N C 0.203 175.750 175.510 0.061 0.000 1.145 342 N CA 0.321 53.358 53.050 -0.022 0.000 0.973 342 N CB 0.213 38.682 38.487 -0.030 0.000 1.305 342 N HN 0.415 nan 8.380 nan 0.000 0.506 343 A N 3.641 126.548 122.820 0.146 0.000 2.519 343 A HA -0.172 4.148 4.320 0.000 0.000 0.297 343 A C 0.054 177.746 177.584 0.181 0.000 1.472 343 A CA 0.572 52.721 52.037 0.187 0.000 0.739 343 A CB -1.467 17.605 19.000 0.120 0.000 1.096 343 A HN 0.589 nan 8.150 nan 0.000 0.414 344 M N 0.942 120.712 119.600 0.284 0.000 3.307 344 M HA 0.390 4.870 4.480 0.000 0.000 0.222 344 M C 0.748 177.230 176.300 0.302 0.000 1.243 344 M CA -0.116 55.316 55.300 0.220 0.000 1.270 344 M CB -1.588 31.067 32.600 0.093 0.000 1.187 344 M HN 1.350 nan 8.290 nan 0.000 0.598 345 I N -1.330 119.342 120.570 0.169 0.000 5.504 345 I HA -0.339 3.831 4.170 0.000 0.000 0.128 345 I C -0.661 175.406 176.117 -0.083 0.000 1.242 345 I CA 0.775 62.109 61.300 0.056 0.000 2.596 345 I CB -0.545 37.467 38.000 0.020 0.000 2.176 345 I HN 0.465 nan 8.210 nan 0.000 0.313 346 D N 1.576 121.867 120.400 -0.182 0.000 2.381 346 D HA 0.622 5.262 4.640 0.000 0.000 0.235 346 D C -0.742 175.394 176.300 -0.273 0.000 1.068 346 D CA -0.288 53.486 54.000 -0.376 0.000 0.832 346 D CB 1.582 42.203 40.800 -0.299 0.000 1.101 346 D HN 0.608 nan 8.370 nan 0.000 0.515 347 S N 0.533 116.024 115.700 -0.348 0.000 2.667 347 S HA 0.570 5.040 4.470 0.000 0.000 0.292 347 S C -0.513 174.025 174.600 -0.105 0.000 1.126 347 S CA -0.704 57.416 58.200 -0.133 0.000 0.881 347 S CB 2.323 65.559 63.200 0.061 0.000 1.132 347 S HN 0.171 nan 8.310 nan 0.000 0.492 348 V N 2.460 122.346 119.914 -0.046 0.000 2.376 348 V HA 0.349 4.469 4.120 0.000 0.000 0.287 348 V C -0.588 175.480 176.094 -0.043 0.000 1.015 348 V CA -0.485 61.794 62.300 -0.035 0.000 0.834 348 V CB 1.083 32.886 31.823 -0.033 0.000 1.001 348 V HN 0.708 nan 8.190 nan 0.000 0.428 349 L N 4.696 125.880 121.223 -0.065 0.000 2.415 349 L HA 0.157 4.497 4.340 0.000 0.000 0.269 349 L C 0.709 177.464 176.870 -0.191 0.000 1.244 349 L CA 0.144 54.891 54.840 -0.155 0.000 1.113 349 L CB -0.283 41.586 42.059 -0.317 0.000 1.352 349 L HN 0.636 nan 8.230 nan 0.000 0.433 350 T N 3.299 117.772 114.554 -0.136 0.000 3.182 350 T HA 0.155 4.505 4.350 0.000 0.000 0.274 350 T C 0.036 174.637 174.700 -0.165 0.000 0.997 350 T CA -0.244 61.743 62.100 -0.188 0.000 1.082 350 T CB -0.057 68.714 68.868 -0.161 0.000 1.005 350 T HN 0.137 nan 8.240 nan 0.000 0.688 351 L N 4.359 125.478 121.223 -0.173 0.000 2.278 351 L HA 0.317 4.657 4.340 0.000 0.000 0.287 351 L C -0.434 176.392 176.870 -0.073 0.000 1.072 351 L CA -0.047 54.740 54.840 -0.087 0.000 0.819 351 L CB 0.493 42.513 42.059 -0.065 0.000 1.176 351 L HN 0.409 nan 8.230 nan 0.000 0.435 352 D N 5.896 126.285 120.400 -0.018 0.000 2.446 352 D HA 0.251 4.891 4.640 0.000 0.000 0.251 352 D C -0.800 175.537 176.300 0.062 0.000 1.137 352 D CA -0.177 53.834 54.000 0.018 0.000 0.890 352 D CB 1.609 42.418 40.800 0.015 0.000 1.071 352 D HN 0.214 nan 8.370 nan 0.000 0.528 353 V N 0.741 120.714 119.914 0.099 0.000 2.394 353 V HA 0.646 4.766 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 1.433 33.358 31.823 0.171 0.000 0.982 353 V HN 0.437 nan 8.190 nan 0.000 0.451 354 S N 2.533 118.334 115.700 0.168 0.000 2.547 354 S HA 0.743 5.213 4.470 0.000 0.000 0.270 354 S C 0.515 175.203 174.600 0.146 0.000 1.150 354 S CA 0.804 59.099 58.200 0.159 0.000 0.850 354 S CB 1.657 64.901 63.200 0.074 0.000 1.118 354 S HN 2.007 nan 8.310 nan 0.000 0.461 355 G N 2.026 110.913 108.800 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 0.244 175.237 174.900 0.157 0.000 1.440 355 G CA 0.305 45.480 45.100 0.125 0.000 0.936 355 G HN 1.391 nan 8.290 nan 0.000 0.690 356 T N 1.692 116.328 114.554 0.137 0.000 2.751 356 T HA 0.404 4.754 4.350 0.000 0.000 0.279 356 T C 1.113 175.873 174.700 0.101 0.000 0.941 356 T CA 1.174 63.337 62.100 0.106 0.000 1.192 356 T CB 1.236 70.135 68.868 0.053 0.000 0.883 356 T HN 0.718 nan 8.240 nan 0.000 0.534 357 I N 3.589 124.228 120.570 0.115 0.000 4.228 357 I HA 0.319 4.489 4.170 0.000 0.000 0.298 357 I C -0.083 176.131 176.117 0.163 0.000 1.206 357 I CA -0.016 61.325 61.300 0.067 0.000 1.322 357 I CB 0.291 38.312 38.000 0.035 0.000 1.411 357 I HN 0.621 nan 8.210 nan 0.000 0.454 358 L N 2.925 124.230 121.223 0.137 0.000 3.509 358 L HA -0.174 4.166 4.340 0.000 0.000 0.608 358 L C -2.085 174.814 176.870 0.048 0.000 1.032 358 L CA -0.593 54.335 54.840 0.146 0.000 1.125 358 L CB -1.707 40.498 42.059 0.244 0.000 1.218 358 L HN 0.201 nan 8.230 nan 0.000 0.727 359 P HA -0.037 nan 4.420 nan 0.000 0.266 359 P C -0.102 177.098 177.300 -0.167 0.000 1.195 359 P CA 0.002 62.970 63.100 -0.221 0.000 0.768 359 P CB 0.354 31.979 31.700 -0.125 0.000 0.838 360 Y N 2.312 122.424 120.300 -0.313 0.000 2.846 360 Y HA -0.246 4.304 4.550 0.000 0.000 0.352 360 Y C 1.804 177.649 175.900 -0.093 0.000 1.298 360 Y CA -0.270 57.616 58.100 -0.356 0.000 1.634 360 Y CB -0.322 37.827 38.460 -0.519 0.000 1.214 360 Y HN 0.568 nan 8.280 nan 0.000 0.529 361 D N 1.251 121.789 120.400 0.231 0.000 1.968 361 D HA -0.366 4.274 4.640 0.000 0.000 0.610 361 D C 0.950 177.314 176.300 0.106 0.000 0.770 361 D CA 2.380 56.494 54.000 0.189 0.000 1.714 361 D CB -0.531 40.414 40.800 0.241 0.000 0.305 361 D HN 0.539 nan 8.370 nan 0.000 0.353 362 T N 0.339 114.947 114.554 0.089 0.000 3.751 362 T HA 0.212 4.562 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 -0.643 61.490 62.100 0.054 0.000 1.645 362 T CB -0.617 68.276 68.868 0.041 0.000 0.763 362 T HN 0.024 nan 8.240 nan 0.000 0.625 363 N N 3.776 122.503 118.700 0.044 0.000 2.372 363 N HA 0.423 5.163 4.740 0.000 0.000 0.291 363 N C -2.297 173.234 175.510 0.035 0.000 1.024 363 N CA -1.925 51.144 53.050 0.031 0.000 0.873 363 N CB 2.145 40.640 38.487 0.013 0.000 1.206 363 N HN 0.250 nan 8.380 nan 0.000 0.486 364 P HA 0.077 nan 4.420 nan 0.000 0.285 364 P C -0.692 176.623 177.300 0.025 0.000 1.521 364 P CA 0.434 63.544 63.100 0.016 0.000 0.792 364 P CB 0.042 31.749 31.700 0.011 0.000 1.613 365 D N -0.034 120.400 120.400 0.057 0.000 2.892 365 D HA 0.179 4.819 4.640 0.000 0.000 0.291 365 D C 1.457 177.793 176.300 0.060 0.000 1.341 365 D CA -0.181 53.880 54.000 0.102 0.000 0.844 365 D CB 0.568 41.449 40.800 0.134 0.000 1.093 365 D HN 0.210 nan 8.370 nan 0.000 0.480 366 L N 0.056 121.258 121.223 -0.036 0.000 2.102 366 L HA -0.010 4.330 4.340 0.000 0.000 0.202 366 L C 1.346 178.140 176.870 -0.128 0.000 1.076 366 L CA 0.505 55.265 54.840 -0.134 0.000 0.761 366 L CB -0.383 41.627 42.059 -0.083 0.000 0.921 366 L HN -0.030 nan 8.230 nan 0.000 0.444 367 S N -0.111 115.554 115.700 -0.058 0.000 2.562 367 S HA 0.198 4.668 4.470 0.000 0.000 0.281 367 S C 0.841 175.423 174.600 -0.029 0.000 1.333 367 S CA 0.182 58.360 58.200 -0.036 0.000 1.052 367 S CB 0.817 64.010 63.200 -0.012 0.000 0.884 367 S HN 0.526 nan 8.310 nan 0.000 0.506 368 T N -1.710 112.828 114.554 -0.027 0.000 5.504 368 T HA -0.195 4.155 4.350 0.000 0.000 0.268 368 T C 0.056 174.740 174.700 -0.027 0.000 2.211 368 T CA 0.490 62.582 62.100 -0.013 0.000 3.769 368 T CB -3.074 65.804 68.868 0.016 0.000 0.563 368 T HN 1.501 nan 8.240 nan 0.000 1.119 369 S N 1.148 116.790 115.700 -0.097 0.000 2.448 369 S HA 0.724 5.194 4.470 0.000 0.000 0.320 369 S C 0.218 174.700 174.600 -0.197 0.000 1.071 369 S CA -0.291 57.807 58.200 -0.170 0.000 1.113 369 S CB 1.828 64.746 63.200 -0.471 0.000 0.972 369 S HN 1.460 nan 8.310 nan 0.000 0.465 370 V N -0.386 119.440 119.914 -0.146 0.000 2.630 370 V HA 0.693 4.813 4.120 0.000 0.000 0.305 370 V C -3.129 172.860 176.094 -0.175 0.000 1.046 370 V CA -3.202 58.998 62.300 -0.168 0.000 0.934 370 V CB 0.983 32.753 31.823 -0.088 0.000 1.003 370 V HN 0.482 nan 8.190 nan 0.000 0.451 371 P HA 0.444 nan 4.420 nan 0.000 0.265 371 P C -0.422 176.827 177.300 -0.084 0.000 1.222 371 P CA 0.671 63.640 63.100 -0.219 0.000 0.767 371 P CB 0.617 32.105 31.700 -0.354 0.000 0.801 372 A N 3.928 126.712 122.820 -0.060 0.000 2.479 372 A HA 0.764 5.084 4.320 0.000 0.000 0.296 372 A C -1.614 176.016 177.584 0.077 0.000 1.121 372 A CA -0.617 51.425 52.037 0.008 0.000 0.743 372 A CB 1.128 20.102 19.000 -0.043 0.000 1.323 372 A HN 0.420 nan 8.150 nan 0.000 0.415 373 F N 1.445 121.389 119.950 -0.010 0.000 2.458 373 F HA 0.661 5.188 4.527 0.000 0.000 0.336 373 F C -0.992 174.826 175.800 0.029 0.000 1.114 373 F CA -0.538 57.469 58.000 0.012 0.000 0.987 373 F CB 1.764 40.778 39.000 0.024 0.000 1.130 373 F HN 0.326 nan 8.300 nan 0.000 0.458 374 V N 7.554 126.946 119.914 -0.870 0.000 2.444 374 V HA 0.352 4.472 4.120 0.000 0.000 0.294 374 V C -0.617 174.954 176.094 -0.873 0.000 1.022 374 V CA -0.809 61.108 62.300 -0.639 0.000 0.850 374 V CB 1.460 33.128 31.823 -0.258 0.000 0.992 374 V HN 0.721 nan 8.190 nan 0.000 0.426 375 L N 6.105 126.994 121.223 -0.557 0.000 2.350 375 L HA 0.580 4.920 4.340 0.000 0.000 0.275 375 L C -0.401 176.424 176.870 -0.075 0.000 1.099 375 L CA 0.363 55.065 54.840 -0.230 0.000 0.808 375 L CB 1.045 43.116 42.059 0.019 0.000 1.149 375 L HN 0.517 nan 8.230 nan 0.000 0.442 376 I N 4.213 124.806 120.570 0.038 0.000 2.362 376 I HA 0.339 4.509 4.170 0.000 0.000 0.289 376 I C -0.511 175.717 176.117 0.186 0.000 0.994 376 I CA -0.375 60.991 61.300 0.110 0.000 1.158 376 I CB 1.370 39.460 38.000 0.149 0.000 1.315 376 I HN 0.546 nan 8.210 nan 0.000 0.451 377 Q N 4.472 124.329 119.800 0.095 0.000 2.788 377 Q HA 0.350 4.690 4.340 0.000 0.000 0.261 377 Q C -0.572 175.421 176.000 -0.012 0.000 1.029 377 Q CA -0.234 55.581 55.803 0.020 0.000 0.848 377 Q CB 1.771 30.506 28.738 -0.004 0.000 1.185 377 Q HN 0.629 nan 8.270 nan 0.000 0.482 378 T N -0.976 113.587 114.554 0.015 0.000 2.886 378 T HA 0.255 4.605 4.350 0.000 0.000 0.292 378 T C 0.523 175.090 174.700 -0.222 0.000 1.012 378 T CA -0.474 61.614 62.100 -0.020 0.000 0.982 378 T CB 1.436 70.355 68.868 0.085 0.000 1.018 378 T HN 0.232 nan 8.240 nan 0.000 0.451 379 S N 2.354 117.870 115.700 -0.306 0.000 2.720 379 S HA 0.116 4.586 4.470 0.000 0.000 0.222 379 S C 0.427 175.078 174.600 0.085 0.000 0.958 379 S CA -0.062 57.874 58.200 -0.439 0.000 0.943 379 S CB -0.093 62.933 63.200 -0.290 0.000 0.779 379 S HN 0.551 nan 8.310 nan 0.000 0.526 380 V N 4.158 124.167 119.914 0.159 0.000 2.311 380 V HA 0.274 4.394 4.120 0.000 0.000 0.275 380 V C -2.540 173.748 176.094 0.324 0.000 1.022 380 V CA -2.336 60.099 62.300 0.224 0.000 0.830 380 V CB 0.961 32.850 31.823 0.110 0.000 1.012 380 V HN 0.045 nan 8.190 nan 0.000 0.452 381 P HA 0.072 nan 4.420 nan 0.000 0.260 381 P C 1.383 178.745 177.300 0.104 0.000 1.185 381 P CA 0.003 63.288 63.100 0.308 0.000 0.763 381 P CB 0.441 32.236 31.700 0.159 0.000 0.776 382 I N 2.402 122.925 120.570 -0.078 0.000 2.237 382 I HA -0.347 3.823 4.170 0.000 0.000 0.245 382 I C 1.800 177.968 176.117 0.085 0.000 1.013 382 I CA 2.127 63.346 61.300 -0.135 0.000 1.298 382 I CB -1.318 36.489 38.000 -0.321 0.000 0.995 382 I HN 0.461 nan 8.210 nan 0.000 0.422 383 Q N -0.197 119.639 119.800 0.059 0.000 2.364 383 Q HA -0.181 4.159 4.340 0.000 0.000 0.207 383 Q C 1.993 178.050 176.000 0.096 0.000 0.970 383 Q CA 0.956 56.802 55.803 0.072 0.000 0.888 383 Q CB -0.305 28.429 28.738 -0.006 0.000 0.951 383 Q HN 0.570 nan 8.270 nan 0.000 0.469 384 Q N -1.082 118.767 119.800 0.082 0.000 2.425 384 Q HA 0.091 4.431 4.340 0.000 0.000 0.204 384 Q C -0.242 175.793 176.000 0.059 0.000 0.933 384 Q CA 0.164 56.009 55.803 0.069 0.000 0.939 384 Q CB 0.713 29.490 28.738 0.064 0.000 1.044 384 Q HN 0.065 nan 8.270 nan 0.000 0.513 385 V N 2.187 122.136 119.914 0.057 0.000 2.287 385 V HA 0.065 4.185 4.120 0.000 0.000 0.246 385 V C 1.079 177.127 176.094 -0.077 0.000 1.165 385 V CA 0.703 62.988 62.300 -0.025 0.000 1.088 385 V CB -0.286 31.476 31.823 -0.101 0.000 1.242 385 V HN 0.397 nan 8.190 nan 0.000 0.497 386 T N -0.630 113.902 114.554 -0.037 0.000 3.023 386 T HA 0.106 4.456 4.350 0.000 0.000 0.249 386 T C 0.887 175.547 174.700 -0.067 0.000 1.050 386 T CA 0.650 62.725 62.100 -0.041 0.000 1.088 386 T CB 0.473 69.347 68.868 0.010 0.000 0.946 386 T HN 0.650 nan 8.240 nan 0.000 0.480 387 T N -1.825 112.693 114.554 -0.060 0.000 2.910 387 T HA 0.774 5.124 4.350 0.000 0.000 0.287 387 T C 1.593 176.252 174.700 -0.068 0.000 1.050 387 T CA -0.223 61.840 62.100 -0.061 0.000 1.011 387 T CB 1.475 70.318 68.868 -0.040 0.000 1.195 387 T HN 0.099 nan 8.240 nan 0.000 0.540 388 A N 0.779 123.560 122.820 -0.064 0.000 1.948 388 A HA 0.088 4.408 4.320 0.000 0.000 0.220 388 A C 2.612 180.171 177.584 -0.042 0.000 1.177 388 A CA 2.490 54.493 52.037 -0.056 0.000 0.636 388 A CB -1.655 17.316 19.000 -0.050 0.000 0.815 388 A HN 1.430 nan 8.150 nan 0.000 0.449 389 A N 0.585 123.385 122.820 -0.034 0.000 1.917 389 A HA -0.282 4.038 4.320 0.000 0.000 0.219 389 A C 1.804 179.377 177.584 -0.018 0.000 1.182 389 A CA 2.175 54.198 52.037 -0.023 0.000 0.633 389 A CB -0.860 18.130 19.000 -0.017 0.000 0.819 389 A HN 0.646 nan 8.150 nan 0.000 0.448 390 N N 0.672 119.359 118.700 -0.021 0.000 2.094 390 N HA -0.209 4.531 4.740 0.000 0.000 0.191 390 N C 1.470 176.974 175.510 -0.010 0.000 1.023 390 N CA 1.879 54.921 53.050 -0.013 0.000 0.857 390 N CB -0.852 37.624 38.487 -0.018 0.000 1.013 390 N HN 0.741 nan 8.380 nan 0.000 0.426 391 I N -1.934 118.621 120.570 -0.026 0.000 2.300 391 I HA -0.273 3.897 4.170 0.000 0.000 0.252 391 I C 1.136 177.253 176.117 0.001 0.000 1.119 391 I CA 1.250 62.538 61.300 -0.019 0.000 1.384 391 I CB -1.250 36.729 38.000 -0.035 0.000 1.062 391 I HN 0.092 nan 8.210 nan 0.000 0.426 392 T N -0.119 114.432 114.554 -0.005 0.000 13.467 392 T HA -0.362 3.988 4.350 0.000 0.000 0.419 392 T C 0.622 175.318 174.700 -0.006 0.000 1.441 392 T CA 2.263 64.359 62.100 -0.008 0.000 2.354 392 T CB -1.804 67.056 68.868 -0.014 0.000 2.797 392 T HN 1.204 nan 8.240 nan 0.000 0.557 393 A N 1.941 124.761 122.820 0.000 0.000 2.310 393 A HA 0.692 5.012 4.320 0.000 0.000 0.304 393 A C -0.173 177.415 177.584 0.007 0.000 1.231 393 A CA -0.743 51.296 52.037 0.003 0.000 0.799 393 A CB 0.219 19.221 19.000 0.004 0.000 1.162 393 A HN 0.809 nan 8.150 nan 0.000 0.486 394 I N 1.697 122.266 120.570 -0.001 0.000 2.281 394 I HA 0.477 4.647 4.170 0.000 0.000 0.293 394 I C 0.275 176.390 176.117 -0.003 0.000 1.085 394 I CA -0.246 61.050 61.300 -0.007 0.000 1.257 394 I CB 0.826 38.820 38.000 -0.009 0.000 1.430 394 I HN 0.410 nan 8.210 nan 0.000 0.489 395 T N 2.910 117.456 114.554 -0.013 0.000 2.770 395 T HA 0.492 4.842 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 -0.770 61.329 62.100 -0.001 0.000 0.949 395 T CB 1.069 69.947 68.868 0.018 0.000 0.941 395 T HN 0.341 nan 8.240 nan 0.000 0.457 396 V N 5.228 125.138 119.914 -0.006 0.000 2.420 396 V HA 0.023 4.143 4.120 0.000 0.000 0.274 396 V C 1.372 177.485 176.094 0.031 0.000 1.003 396 V CA -0.066 62.230 62.300 -0.006 0.000 1.092 396 V CB -0.471 31.367 31.823 0.026 0.000 1.002 396 V HN 0.901 nan 8.190 nan 0.000 0.473 397 V N 3.376 123.319 119.914 0.047 0.000 2.581 397 V HA 0.051 4.171 4.120 0.000 0.000 0.240 397 V C 1.117 177.313 176.094 0.170 0.000 1.054 397 V CA 0.958 63.343 62.300 0.142 0.000 1.076 397 V CB 0.319 32.284 31.823 0.236 0.000 0.748 397 V HN 0.796 nan 8.190 nan 0.000 0.474 398 S N 0.388 116.222 115.700 0.223 0.000 2.328 398 S HA 0.727 5.197 4.470 0.000 0.000 0.204 398 S C 0.394 175.074 174.600 0.134 0.000 1.475 398 S CA 0.319 58.648 58.200 0.215 0.000 1.148 398 S CB 1.213 64.588 63.200 0.291 0.000 1.077 398 S HN 0.490 nan 8.310 nan 0.000 0.479 399 A N 1.368 124.239 122.820 0.086 0.000 2.295 399 A HA 0.797 5.117 4.320 0.000 0.000 0.193 399 A C 1.225 178.840 177.584 0.051 0.000 1.512 399 A CA 0.741 52.811 52.037 0.055 0.000 1.103 399 A CB -0.418 18.593 19.000 0.020 0.000 1.331 399 A HN 1.373 nan 8.150 nan 0.000 0.501 400 A N -0.461 122.388 122.820 0.049 0.000 5.218 400 A HA -0.061 4.259 4.320 0.000 0.000 0.318 400 A C 1.547 179.137 177.584 0.011 0.000 1.887 400 A CA 1.383 53.442 52.037 0.037 0.000 0.712 400 A CB -2.046 16.985 19.000 0.052 0.000 1.343 400 A HN 2.113 nan 8.150 nan 0.000 0.377 401 G N -0.307 108.500 108.800 0.013 0.000 2.494 401 G HA2 0.610 4.570 3.960 0.000 0.000 0.297 401 G HA3 0.610 4.570 3.960 0.000 0.000 0.297 401 G C 0.198 175.088 174.900 -0.017 0.000 0.971 401 G CA 1.053 46.148 45.100 -0.009 0.000 1.378 401 G HN 2.094 nan 8.290 nan 0.000 0.456 402 A N 2.917 125.706 122.820 -0.052 0.000 3.126 402 A HA 0.584 4.904 4.320 0.000 0.000 0.268 402 A C 1.220 178.760 177.584 -0.073 0.000 1.605 402 A CA 0.149 52.150 52.037 -0.059 0.000 1.305 402 A CB -0.221 18.741 19.000 -0.064 0.000 1.160 402 A HN 0.885 nan 8.150 nan 0.000 0.609 403 S N 0.066 115.740 115.700 -0.044 0.000 3.657 403 S HA 0.928 5.398 4.470 0.000 0.000 0.183 403 S C 0.328 174.916 174.600 -0.019 0.000 0.995 403 S CA 0.247 58.429 58.200 -0.030 0.000 1.333 403 S CB 0.365 63.548 63.200 -0.028 0.000 1.197 403 S HN 2.108 nan 8.310 nan 0.000 0.856 404 A N -0.242 122.576 122.820 -0.004 0.000 2.519 404 A HA 0.644 4.964 4.320 0.000 0.000 0.298 404 A C -2.113 175.485 177.584 0.025 0.000 0.963 404 A CA -0.254 51.790 52.037 0.012 0.000 0.624 404 A CB 0.034 19.022 19.000 -0.020 0.000 1.356 404 A HN 1.389 nan 8.150 nan 0.000 0.441 405 I N 0.032 120.635 120.570 0.056 0.000 2.775 405 I HA 0.504 4.674 4.170 0.000 0.000 0.295 405 I C -0.970 175.198 176.117 0.085 0.000 1.287 405 I CA -0.471 60.859 61.300 0.050 0.000 1.029 405 I CB 2.105 40.125 38.000 0.034 0.000 1.282 405 I HN 0.569 nan 8.210 nan 0.000 0.426 406 N N 6.715 125.445 118.700 0.051 0.000 2.736 406 N HA 0.140 4.880 4.740 0.000 0.000 0.307 406 N C 0.773 176.309 175.510 0.044 0.000 1.212 406 N CA 0.276 53.359 53.050 0.056 0.000 1.158 406 N CB -0.213 38.290 38.487 0.026 0.000 1.460 406 N HN 0.539 nan 8.380 nan 0.000 0.514 407 L N -0.287 120.978 121.223 0.069 0.000 2.478 407 L HA 0.090 4.430 4.340 0.000 0.000 0.223 407 L C 1.095 177.902 176.870 -0.105 0.000 1.140 407 L CA -0.101 54.689 54.840 -0.083 0.000 0.842 407 L CB -0.251 41.630 42.059 -0.297 0.000 0.953 407 L HN 0.372 nan 8.230 nan 0.000 0.452 408 A N 0.672 123.531 122.820 0.064 0.000 2.450 408 A HA 0.275 4.595 4.320 0.000 0.000 0.255 408 A C 0.342 177.942 177.584 0.026 0.000 1.096 408 A CA -0.355 51.727 52.037 0.076 0.000 0.778 408 A CB -0.271 18.815 19.000 0.143 0.000 1.031 408 A HN 0.219 nan 8.150 nan 0.000 0.494 409 I N 3.323 123.902 120.570 0.015 0.000 2.906 409 I HA -0.100 4.070 4.170 0.000 0.000 0.312 409 I C 1.086 177.213 176.117 0.017 0.000 1.169 409 I CA 0.459 61.764 61.300 0.008 0.000 2.267 409 I CB -0.966 37.036 38.000 0.003 0.000 1.624 409 I HN 0.742 nan 8.210 nan 0.000 1.067 410 N N 2.121 120.831 118.700 0.016 0.000 2.446 410 N HA -0.071 4.669 4.740 0.000 0.000 0.179 410 N C 1.786 177.304 175.510 0.013 0.000 1.054 410 N CA 0.186 53.247 53.050 0.018 0.000 0.905 410 N CB 0.285 38.782 38.487 0.017 0.000 0.973 410 N HN 0.362 nan 8.380 nan 0.000 0.448 411 V N 0.967 120.886 119.914 0.009 0.000 2.380 411 V HA -0.210 3.910 4.120 0.000 0.000 0.251 411 V C 1.188 177.287 176.094 0.009 0.000 1.063 411 V CA 1.654 63.959 62.300 0.007 0.000 1.055 411 V CB -0.283 31.542 31.823 0.004 0.000 0.657 411 V HN 0.282 nan 8.190 nan 0.000 0.455 412 R N -0.287 120.219 120.500 0.011 0.000 2.700 412 R HA 0.467 4.807 4.340 0.000 0.000 0.377 412 R C 1.257 177.566 176.300 0.015 0.000 1.130 412 R CA 0.516 56.623 56.100 0.012 0.000 1.055 412 R CB 0.341 30.648 30.300 0.011 0.000 1.387 412 R HN 0.446 nan 8.270 nan 0.000 0.580 413 G N -0.105 108.705 108.800 0.016 0.000 2.253 413 G HA2 -0.364 3.596 3.960 0.000 0.000 0.251 413 G HA3 -0.364 3.596 3.960 0.000 0.000 0.251 413 G C 0.051 174.966 174.900 0.025 0.000 0.998 413 G CA -0.094 45.018 45.100 0.020 0.000 0.621 413 G HN 0.399 nan 8.290 nan 0.000 0.524 414 Q N 1.352 121.168 119.800 0.026 0.000 2.364 414 Q HA 0.462 4.802 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 -0.409 55.414 55.803 0.033 0.000 0.886 414 Q CB 1.159 29.916 28.738 0.031 0.000 1.243 414 Q HN 0.350 nan 8.270 nan 0.000 0.415 415 P HA 0.277 nan 4.420 nan 0.000 0.199 415 P C -1.219 176.137 177.300 0.094 0.000 1.878 415 P CA -0.547 62.594 63.100 0.068 0.000 1.202 415 P CB 0.775 32.513 31.700 0.062 0.000 1.719 416 R N 2.209 122.765 120.500 0.094 0.000 2.337 416 R HA 0.354 4.694 4.340 0.000 0.000 0.319 416 R C -0.505 175.873 176.300 0.130 0.000 0.954 416 R CA -1.028 55.134 56.100 0.104 0.000 0.840 416 R CB 0.583 30.920 30.300 0.061 0.000 1.164 416 R HN 0.313 nan 8.270 nan 0.000 0.472 417 F N 3.228 123.189 119.950 0.018 0.000 2.538 417 F HA -0.050 4.477 4.527 0.000 0.000 0.382 417 F C 1.318 177.128 175.800 0.018 0.000 1.069 417 F CA 0.150 58.160 58.000 0.017 0.000 1.138 417 F CB 0.165 39.178 39.000 0.021 0.000 1.068 417 F HN 0.551 nan 8.300 nan 0.000 0.556 418 N N 6.028 124.298 118.700 -0.717 0.000 2.236 418 N HA -0.144 4.596 4.740 0.000 0.000 0.238 418 N C 0.076 175.278 175.510 -0.514 0.000 1.244 418 N CA -0.251 52.438 53.050 -0.601 0.000 0.848 418 N CB 0.471 38.617 38.487 -0.569 0.000 1.094 418 N HN 0.644 nan 8.380 nan 0.000 0.448 419 M N 2.414 121.887 119.600 -0.212 0.000 2.435 419 M HA 0.185 4.665 4.480 0.000 0.000 0.338 419 M C -1.048 175.238 176.300 -0.024 0.000 1.628 419 M CA -0.256 55.006 55.300 -0.064 0.000 1.215 419 M CB 0.121 32.716 32.600 -0.010 0.000 1.905 419 M HN 0.369 nan 8.290 nan 0.000 0.457 420 L N 4.106 125.386 121.223 0.096 0.000 2.334 420 L HA 0.357 4.697 4.340 0.000 0.000 0.277 420 L C -0.715 176.260 176.870 0.175 0.000 1.075 420 L CA 0.047 54.992 54.840 0.175 0.000 0.804 420 L CB 1.024 43.280 42.059 0.329 0.000 1.174 420 L HN 0.726 nan 8.230 nan 0.000 0.438 421 H N 4.237 123.347 119.070 0.067 0.000 2.661 421 H HA 0.481 5.037 4.556 0.000 0.000 0.290 421 H C -1.041 174.319 175.328 0.054 0.000 1.082 421 H CA -0.439 55.639 56.048 0.050 0.000 1.234 421 H CB 0.425 30.205 29.762 0.030 0.000 1.387 421 H HN 0.545 nan 8.280 nan 0.000 0.476 422 L N 3.943 125.139 121.223 -0.045 0.000 2.357 422 L HA 0.364 4.704 4.340 0.000 0.000 0.273 422 L C -0.255 176.552 176.870 -0.104 0.000 1.080 422 L CA -0.713 54.117 54.840 -0.016 0.000 0.803 422 L CB 1.255 43.334 42.059 0.034 0.000 1.174 422 L HN 0.572 nan 8.230 nan 0.000 0.443 423 Q N 2.328 122.114 119.800 -0.023 0.000 2.304 423 Q HA 0.545 4.885 4.340 0.000 0.000 0.270 423 Q C -1.123 174.877 176.000 -0.001 0.000 1.035 423 Q CA -0.479 55.303 55.803 -0.034 0.000 0.781 423 Q CB 2.389 31.146 28.738 0.031 0.000 1.261 423 Q HN 0.670 nan 8.270 nan 0.000 0.444 424 A N 1.855 124.635 122.820 -0.066 0.000 2.431 424 A HA 0.379 4.699 4.320 0.000 0.000 0.318 424 A C 0.367 177.969 177.584 0.029 0.000 1.330 424 A CA -0.719 51.318 52.037 -0.002 0.000 0.804 424 A CB 0.016 18.941 19.000 -0.125 0.000 1.135 424 A HN 0.637 nan 8.150 nan 0.000 0.483 425 T N 0.633 115.213 114.554 0.044 0.000 3.235 425 T HA -0.046 4.304 4.350 0.000 0.000 0.211 425 T C 0.046 174.761 174.700 0.025 0.000 0.983 425 T CA 0.013 62.125 62.100 0.020 0.000 2.783 425 T CB -1.224 67.649 68.868 0.008 0.000 1.023 425 T HN 0.515 nan 8.240 nan 0.000 0.506 426 F N 3.543 123.482 119.950 -0.020 0.000 2.574 426 F HA 0.213 4.740 4.527 0.000 0.000 0.332 426 F C 0.023 175.816 175.800 -0.012 0.000 1.289 426 F CA -1.286 56.709 58.000 -0.009 0.000 1.029 426 F CB -0.733 38.247 39.000 -0.033 0.000 1.346 426 F HN 0.412 nan 8.300 nan 0.000 0.647 427 E N 6.254 126.223 120.200 -0.386 0.000 2.101 427 E HA 0.102 4.452 4.350 0.000 0.000 0.260 427 E C 1.268 177.766 176.600 -0.170 0.000 0.897 427 E CA -0.326 55.868 56.400 -0.343 0.000 0.744 427 E CB 0.735 30.336 29.700 -0.165 0.000 1.140 427 E HN 0.709 nan 8.360 nan 0.000 0.419 428 R N 1.948 122.300 120.500 -0.246 0.000 2.211 428 R HA -0.188 4.152 4.340 0.000 0.000 0.240 428 R C 0.673 176.992 176.300 0.032 0.000 1.144 428 R CA 1.404 57.529 56.100 0.043 0.000 0.992 428 R CB -0.074 30.306 30.300 0.133 0.000 0.869 428 R HN 0.209 nan 8.270 nan 0.000 0.462 429 E N 0.873 121.060 120.200 -0.022 0.000 2.153 429 E HA -0.103 4.247 4.350 0.000 0.000 0.194 429 E C 1.807 178.410 176.600 0.004 0.000 0.988 429 E CA 1.914 58.309 56.400 -0.009 0.000 0.811 429 E CB -0.157 29.528 29.700 -0.026 0.000 0.746 429 E HN 0.378 nan 8.360 nan 0.000 0.466 430 T N 0.579 115.136 114.554 0.006 0.000 2.721 430 T HA -0.183 4.167 4.350 0.000 0.000 0.268 430 T C 1.716 176.435 174.700 0.032 0.000 1.038 430 T CA 1.496 63.609 62.100 0.022 0.000 1.145 430 T CB -0.166 68.720 68.868 0.031 0.000 0.858 430 T HN 0.149 nan 8.240 nan 0.000 0.459 431 I N 0.095 120.691 120.570 0.044 0.000 3.616 431 I HA 0.097 4.267 4.170 0.000 0.000 0.296 431 I C 0.938 177.071 176.117 0.028 0.000 1.226 431 I CA 0.361 61.683 61.300 0.036 0.000 1.394 431 I CB -0.241 37.785 38.000 0.045 0.000 1.171 431 I HN 0.187 nan 8.210 nan 0.000 0.442 432 T N 0.063 114.639 114.554 0.037 0.000 3.882 432 T HA -0.128 4.222 4.350 0.000 0.000 0.366 432 T C 0.877 175.601 174.700 0.039 0.000 0.760 432 T CA 0.258 62.380 62.100 0.036 0.000 1.931 432 T CB -2.593 66.289 68.868 0.024 0.000 1.807 432 T HN 1.337 nan 8.240 nan 0.000 0.790 433 G N 1.519 110.350 108.800 0.051 0.000 2.575 433 G HA2 -0.089 3.871 3.960 0.000 0.000 0.267 433 G HA3 -0.089 3.871 3.960 0.000 0.000 0.267 433 G C 0.693 175.600 174.900 0.011 0.000 1.264 433 G CA 0.492 45.622 45.100 0.050 0.000 0.935 433 G HN 1.781 nan 8.290 nan 0.000 0.568 434 I N -2.671 117.922 120.570 0.038 0.000 4.519 434 I HA -0.232 3.938 4.170 0.000 0.000 0.056 434 I C -1.572 174.412 176.117 -0.222 0.000 0.610 434 I CA 2.013 63.304 61.300 -0.016 0.000 0.951 434 I CB -1.914 36.083 38.000 -0.005 0.000 0.858 434 I HN 0.740 nan 8.210 nan 0.000 0.164 435 P HA 0.267 nan 4.420 nan 0.000 0.219 435 P C -0.742 176.235 177.300 -0.539 0.000 1.847 435 P CA -0.136 62.684 63.100 -0.467 0.000 1.110 435 P CB -0.582 30.974 31.700 -0.240 0.000 1.839 436 Y N 1.042 121.258 120.300 -0.140 0.000 3.073 436 Y HA -0.063 4.487 4.550 0.000 0.000 0.343 436 Y C 1.093 176.573 175.900 -0.701 0.000 1.274 436 Y CA -0.388 57.514 58.100 -0.329 0.000 1.554 436 Y CB -0.588 37.680 38.460 -0.321 0.000 1.250 436 Y HN 0.151 nan 8.280 nan 0.000 0.622 437 I N 4.283 124.583 120.570 -0.449 0.000 2.325 437 I HA 0.250 4.420 4.170 0.000 0.000 0.291 437 I C -0.531 175.317 176.117 -0.450 0.000 1.019 437 I CA -0.198 60.876 61.300 -0.377 0.000 1.302 437 I CB -0.116 37.812 38.000 -0.120 0.000 1.401 437 I HN 0.462 nan 8.210 nan 0.000 0.485 438 Y N 3.757 124.089 120.300 0.054 0.000 2.602 438 Y HA 0.912 5.462 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 -1.323 56.805 58.100 0.048 0.000 1.080 438 Y CB 2.165 40.652 38.460 0.046 0.000 1.284 438 Y HN 0.557 nan 8.280 nan 0.000 0.485 439 G N 0.662 109.601 108.800 0.231 0.000 2.703 439 G HA2 0.553 4.513 3.960 0.000 0.000 0.294 439 G HA3 0.553 4.513 3.960 0.000 0.000 0.294 439 G C -2.630 172.309 174.900 0.066 0.000 1.451 439 G CA -0.638 44.498 45.100 0.059 0.000 0.869 439 G HN 0.553 nan 8.290 nan 0.000 0.516 440 L N 0.412 121.540 121.223 -0.159 0.000 2.303 440 L HA 0.983 5.323 4.340 0.000 0.000 0.256 440 L C 0.279 177.141 176.870 -0.013 0.000 1.034 440 L CA -0.462 54.353 54.840 -0.041 0.000 0.832 440 L CB 2.370 44.389 42.059 -0.066 0.000 1.403 440 L HN 0.909 nan 8.230 nan 0.000 0.419 441 G N -0.081 108.745 108.800 0.043 0.000 2.470 441 G HA2 0.610 4.570 3.960 0.000 0.000 0.320 441 G HA3 0.610 4.570 3.960 0.000 0.000 0.320 441 G C -1.301 173.559 174.900 -0.065 0.000 1.245 441 G CA -0.265 44.858 45.100 0.039 0.000 0.935 441 G HN 0.672 nan 8.290 nan 0.000 0.476 442 T N 0.929 115.419 114.554 -0.106 0.000 3.128 442 T HA 0.330 4.680 4.350 0.000 0.000 0.363 442 T C -0.806 173.800 174.700 -0.156 0.000 1.610 442 T CA -0.691 61.299 62.100 -0.183 0.000 1.126 442 T CB 0.256 69.146 68.868 0.036 0.000 1.416 442 T HN 0.963 nan 8.240 nan 0.000 0.480 443 F N 4.444 124.328 119.950 -0.111 0.000 2.583 443 F HA 0.405 4.932 4.527 0.000 0.000 0.330 443 F C -0.063 175.470 175.800 -0.445 0.000 1.298 443 F CA -1.296 56.575 58.000 -0.215 0.000 1.099 443 F CB -1.422 37.471 39.000 -0.178 0.000 1.540 443 F HN 0.376 nan 8.300 nan 0.000 0.673 444 L N 4.305 125.294 121.223 -0.390 0.000 2.326 444 L HA 0.580 4.920 4.340 0.000 0.000 0.278 444 L C -0.524 176.122 176.870 -0.372 0.000 1.092 444 L CA -0.549 53.767 54.840 -0.873 0.000 0.810 444 L CB 1.072 42.857 42.059 -0.458 0.000 1.153 444 L HN 0.669 nan 8.230 nan 0.000 0.439 445 I N 5.891 126.341 120.570 -0.201 0.000 2.569 445 I HA 0.427 4.597 4.170 0.000 0.000 0.296 445 I C -2.008 174.193 176.117 0.140 0.000 1.028 445 I CA -2.332 59.012 61.300 0.072 0.000 1.082 445 I CB 2.674 40.798 38.000 0.207 0.000 1.264 445 I HN 0.529 nan 8.210 nan 0.000 0.429 446 P HA -0.057 nan 4.420 nan 0.000 0.214 446 P C 0.107 177.481 177.300 0.123 0.000 1.162 446 P CA 0.615 63.808 63.100 0.154 0.000 0.871 446 P CB 0.186 31.977 31.700 0.152 0.000 0.783 447 S N 0.967 116.725 115.700 0.096 0.000 2.481 447 S HA 0.144 4.614 4.470 0.000 0.000 0.282 447 S C -2.317 172.314 174.600 0.053 0.000 1.243 447 S CA -1.333 56.909 58.200 0.070 0.000 1.078 447 S CB -0.781 62.453 63.200 0.055 0.000 0.916 447 S HN -0.128 nan 8.310 nan 0.000 0.495 448 P HA 0.092 nan 4.420 nan 0.000 0.264 448 P C -0.499 176.769 177.300 -0.053 0.000 1.193 448 P CA -0.016 63.083 63.100 -0.003 0.000 0.763 448 P CB 0.361 32.055 31.700 -0.009 0.000 0.810 449 T N -0.600 113.886 114.554 -0.114 0.000 2.795 449 T HA 0.277 4.627 4.350 0.000 0.000 0.282 449 T C 0.291 174.888 174.700 -0.171 0.000 0.980 449 T CA -0.784 61.173 62.100 -0.238 0.000 1.012 449 T CB 0.578 69.131 68.868 -0.524 0.000 0.936 449 T HN 0.148 nan 8.240 nan 0.000 0.457 450 S N 2.898 118.513 115.700 -0.142 0.000 2.670 450 S HA 0.089 4.559 4.470 0.000 0.000 0.328 450 S C 1.705 176.285 174.600 -0.033 0.000 1.179 450 S CA -0.212 57.946 58.200 -0.069 0.000 1.194 450 S CB -0.729 62.447 63.200 -0.039 0.000 1.359 450 S HN 0.857 nan 8.310 nan 0.000 0.555 451 S N 4.089 119.764 115.700 -0.042 0.000 2.389 451 S HA -0.190 4.280 4.470 0.000 0.000 0.231 451 S C 2.224 176.813 174.600 -0.018 0.000 1.052 451 S CA 2.353 60.536 58.200 -0.028 0.000 1.053 451 S CB -0.613 62.553 63.200 -0.057 0.000 0.886 451 S HN 0.998 nan 8.310 nan 0.000 0.456 452 S N 1.828 117.518 115.700 -0.017 0.000 2.348 452 S HA -0.149 4.321 4.470 0.000 0.000 0.221 452 S C 1.641 176.243 174.600 0.003 0.000 1.033 452 S CA 1.470 59.663 58.200 -0.013 0.000 1.010 452 S CB -1.116 62.076 63.200 -0.013 0.000 0.891 452 S HN 0.651 nan 8.310 nan 0.000 0.442 453 N N 1.902 120.613 118.700 0.018 0.000 2.000 453 N HA -0.055 4.685 4.740 0.000 0.000 0.198 453 N C 0.595 176.167 175.510 0.105 0.000 1.057 453 N CA 1.378 54.457 53.050 0.048 0.000 0.858 453 N CB -0.837 37.674 38.487 0.040 0.000 1.057 453 N HN 0.559 nan 8.380 nan 0.000 0.423 454 F N 1.972 121.870 119.950 -0.088 0.000 2.626 454 F HA 0.227 4.754 4.527 0.000 0.000 0.353 454 F C 1.202 176.959 175.800 -0.072 0.000 1.230 454 F CA -0.868 57.079 58.000 -0.088 0.000 1.298 454 F CB -0.383 38.502 39.000 -0.191 0.000 1.670 454 F HN 0.063 nan 8.300 nan 0.000 0.633 455 S N 1.269 116.885 115.700 -0.141 0.000 2.420 455 S HA -0.276 4.194 4.470 0.000 0.000 0.237 455 S C 1.050 175.430 174.600 -0.368 0.000 1.023 455 S CA 0.742 58.813 58.200 -0.216 0.000 0.991 455 S CB -0.799 62.335 63.200 -0.110 0.000 0.792 455 S HN 0.768 nan 8.310 nan 0.000 0.488 456 N N 3.393 121.744 118.700 -0.582 0.000 2.440 456 N HA 0.024 4.764 4.740 0.000 0.000 0.265 456 N C -1.324 173.777 175.510 -0.682 0.000 1.239 456 N CA -1.168 51.526 53.050 -0.592 0.000 0.909 456 N CB 1.101 39.256 38.487 -0.553 0.000 1.066 456 N HN 0.140 nan 8.380 nan 0.000 0.474 457 P HA -0.065 nan 4.420 nan 0.000 0.208 457 P C 0.311 177.660 177.300 0.081 0.000 1.195 457 P CA 1.309 64.343 63.100 -0.109 0.000 0.927 457 P CB 0.170 31.845 31.700 -0.042 0.000 0.778 458 T N -2.227 112.386 114.554 0.100 0.000 3.230 458 T HA 0.318 4.668 4.350 0.000 0.000 0.390 458 T C -1.132 173.526 174.700 -0.070 0.000 1.761 458 T CA -0.605 61.609 62.100 0.191 0.000 1.129 458 T CB -0.166 68.795 68.868 0.155 0.000 1.583 458 T HN -0.126 nan 8.240 nan 0.000 0.480 459 L N 3.891 124.990 121.223 -0.207 0.000 3.094 459 L HA 0.465 4.805 4.340 0.000 0.000 0.254 459 L C 1.024 177.716 176.870 -0.296 0.000 1.298 459 L CA -0.226 54.497 54.840 -0.196 0.000 1.050 459 L CB 0.303 42.399 42.059 0.061 0.000 1.420 459 L HN 0.559 nan 8.230 nan 0.000 0.548 460 M N 1.681 120.973 119.600 -0.512 0.000 3.042 460 M HA 0.090 4.570 4.480 0.000 0.000 0.283 460 M C -0.660 175.532 176.300 -0.179 0.000 1.473 460 M CA 0.507 55.569 55.300 -0.396 0.000 1.583 460 M CB -0.161 32.135 32.600 -0.507 0.000 1.221 460 M HN 0.186 nan 8.290 nan 0.000 0.518 461 D N 3.278 123.607 120.400 -0.118 0.000 2.518 461 D HA 0.305 4.945 4.640 0.000 0.000 0.230 461 D C 0.318 176.611 176.300 -0.011 0.000 1.138 461 D CA 0.056 54.017 54.000 -0.066 0.000 0.964 461 D CB 1.168 41.910 40.800 -0.097 0.000 1.011 461 D HN 0.725 nan 8.370 nan 0.000 0.517 462 G N 0.907 109.713 108.800 0.010 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 -0.762 174.172 174.900 0.056 0.000 1.262 462 G CA -0.197 44.928 45.100 0.041 0.000 0.808 462 G HN 0.303 nan 8.290 nan 0.000 0.687 463 L N -0.450 120.809 121.223 0.061 0.000 2.330 463 L HA 0.836 5.176 4.340 0.000 0.000 0.271 463 L C -1.447 175.470 176.870 0.077 0.000 1.013 463 L CA -0.838 54.045 54.840 0.072 0.000 0.816 463 L CB 2.093 44.187 42.059 0.058 0.000 1.287 463 L HN 0.320 nan 8.230 nan 0.000 0.435 464 L N 3.071 124.370 121.223 0.127 0.000 2.454 464 L HA 0.477 4.817 4.340 0.000 0.000 0.258 464 L C -0.804 176.199 176.870 0.222 0.000 1.025 464 L CA 0.166 55.097 54.840 0.153 0.000 0.901 464 L CB 1.202 43.381 42.059 0.200 0.000 1.210 464 L HN 0.633 nan 8.230 nan 0.000 0.457 465 T N 3.877 118.493 114.554 0.104 0.000 2.875 465 T HA 0.287 4.637 4.350 0.000 0.000 0.307 465 T C 0.201 174.946 174.700 0.075 0.000 1.013 465 T CA -0.252 61.903 62.100 0.092 0.000 0.970 465 T CB 0.309 69.188 68.868 0.019 0.000 0.986 465 T HN 0.252 nan 8.240 nan 0.000 0.536 466 V N 4.721 124.727 119.914 0.153 0.000 2.458 466 V HA 0.018 4.138 4.120 0.000 0.000 0.287 466 V C 1.103 177.208 176.094 0.020 0.000 1.009 466 V CA 0.236 62.548 62.300 0.020 0.000 1.091 466 V CB 0.084 31.811 31.823 -0.159 0.000 0.960 466 V HN 0.818 nan 8.190 nan 0.000 0.476 467 T N 9.089 123.633 114.554 -0.016 0.000 3.364 467 T HA 0.172 4.522 4.350 0.000 0.000 0.323 467 T C -2.005 172.675 174.700 -0.033 0.000 1.323 467 T CA -0.863 61.227 62.100 -0.016 0.000 1.073 467 T CB 0.203 69.064 68.868 -0.013 0.000 1.150 467 T HN 0.577 nan 8.240 nan 0.000 0.727 468 P HA 0.057 nan 4.420 nan 0.000 0.244 468 P C 1.479 178.758 177.300 -0.036 0.000 1.723 468 P CA -0.129 62.945 63.100 -0.043 0.000 1.110 468 P CB -0.250 31.431 31.700 -0.031 0.000 1.972 469 V N 1.076 120.960 119.914 -0.050 0.000 2.317 469 V HA -0.215 3.905 4.120 0.000 0.000 0.251 469 V C 1.341 177.411 176.094 -0.040 0.000 1.065 469 V CA 1.310 63.582 62.300 -0.046 0.000 1.049 469 V CB -1.456 30.332 31.823 -0.059 0.000 0.651 469 V HN 0.195 nan 8.190 nan 0.000 0.450 470 L N 0.728 121.919 121.223 -0.054 0.000 2.387 470 L HA 0.373 4.713 4.340 0.000 0.000 0.267 470 L C 1.025 177.884 176.870 -0.018 0.000 1.197 470 L CA 0.190 55.004 54.840 -0.042 0.000 1.070 470 L CB 0.307 42.328 42.059 -0.063 0.000 1.349 470 L HN 0.151 nan 8.230 nan 0.000 0.422 471 L N 2.183 123.402 121.223 -0.006 0.000 2.450 471 L HA -0.041 4.299 4.340 0.000 0.000 0.224 471 L C 1.088 177.970 176.870 0.019 0.000 1.149 471 L CA 0.813 55.660 54.840 0.012 0.000 0.816 471 L CB -0.584 41.483 42.059 0.014 0.000 0.932 471 L HN 0.415 nan 8.230 nan 0.000 0.449 472 R N 1.687 122.192 120.500 0.008 0.000 2.343 472 R HA 0.074 4.414 4.340 0.000 0.000 0.326 472 R C -0.065 176.245 176.300 0.017 0.000 1.055 472 R CA 0.084 56.191 56.100 0.012 0.000 0.961 472 R CB -0.801 29.501 30.300 0.004 0.000 0.978 472 R HN 0.245 nan 8.270 nan 0.000 0.443 473 E N 1.292 121.511 120.200 0.032 0.000 6.247 473 E HA -0.131 4.219 4.350 0.000 0.000 0.184 473 E C -1.209 175.420 176.600 0.047 0.000 1.139 473 E CA 0.183 56.606 56.400 0.038 0.000 1.420 473 E CB -0.452 29.264 29.700 0.027 0.000 0.963 473 E HN 0.694 nan 8.360 nan 0.000 0.328 474 T N 1.652 116.246 114.554 0.067 0.000 2.884 474 T HA 0.338 4.688 4.350 0.000 0.000 0.298 474 T C 0.525 175.274 174.700 0.080 0.000 0.998 474 T CA -0.185 61.959 62.100 0.074 0.000 1.124 474 T CB 1.380 70.308 68.868 0.099 0.000 0.931 474 T HN 0.273 nan 8.240 nan 0.000 0.531 475 T N 3.271 117.870 114.554 0.075 0.000 2.853 475 T HA 0.069 4.419 4.350 0.000 0.000 0.298 475 T C -0.508 174.271 174.700 0.132 0.000 0.978 475 T CA -0.026 62.130 62.100 0.093 0.000 1.152 475 T CB -0.320 68.588 68.868 0.067 0.000 0.914 475 T HN 0.651 nan 8.240 nan 0.000 0.539 476 Y N 4.315 124.615 120.300 0.001 0.000 2.676 476 Y HA 0.248 4.798 4.550 0.000 0.000 0.338 476 Y C 0.410 176.314 175.900 0.008 0.000 1.057 476 Y CA -0.831 57.264 58.100 -0.008 0.000 1.314 476 Y CB -0.244 38.202 38.460 -0.022 0.000 1.164 476 Y HN 0.702 nan 8.280 nan 0.000 0.509 477 K N 4.462 124.812 120.400 -0.084 0.000 4.387 477 K HA -0.242 4.078 4.320 0.000 0.000 0.290 477 K C 1.027 177.651 176.600 0.040 0.000 0.936 477 K CA 0.666 56.903 56.287 -0.084 0.000 0.890 477 K CB -1.679 30.679 32.500 -0.238 0.000 1.617 477 K HN 1.161 nan 8.250 nan 0.000 0.437 478 G N 0.812 109.653 108.800 0.069 0.000 2.382 478 G HA2 -0.391 3.569 3.960 0.000 0.000 0.259 478 G HA3 -0.391 3.569 3.960 0.000 0.000 0.259 478 G C 0.008 174.964 174.900 0.094 0.000 1.009 478 G CA 0.861 46.014 45.100 0.088 0.000 0.625 478 G HN 0.609 nan 8.290 nan 0.000 0.541 479 E N 1.009 121.281 120.200 0.121 0.000 1.932 479 E HA 0.387 4.737 4.350 0.000 0.000 0.275 479 E C 0.378 177.043 176.600 0.108 0.000 1.159 479 E CA -0.485 55.988 56.400 0.122 0.000 0.905 479 E CB 1.126 30.928 29.700 0.171 0.000 1.059 479 E HN 0.174 nan 8.360 nan 0.000 0.400 480 V N 4.843 124.805 119.914 0.079 0.000 2.399 480 V HA -0.040 4.080 4.120 0.000 0.000 0.245 480 V C 0.235 176.359 176.094 0.049 0.000 1.089 480 V CA 0.364 62.703 62.300 0.064 0.000 1.196 480 V CB -0.346 31.512 31.823 0.058 0.000 1.221 480 V HN 0.332 nan 8.190 nan 0.000 0.482 481 V N 3.753 123.698 119.914 0.052 0.000 2.715 481 V HA 0.392 4.512 4.120 0.000 0.000 0.310 481 V C 0.872 176.980 176.094 0.024 0.000 1.054 481 V CA -0.578 61.738 62.300 0.025 0.000 0.928 481 V CB 2.284 34.106 31.823 -0.002 0.000 1.007 481 V HN 0.746 nan 8.190 nan 0.000 0.437 482 D N 3.940 124.347 120.400 0.012 0.000 2.348 482 D HA 0.138 4.778 4.640 0.000 0.000 0.248 482 D C 0.247 176.557 176.300 0.016 0.000 1.142 482 D CA 0.623 54.633 54.000 0.018 0.000 0.904 482 D CB 0.441 41.249 40.800 0.014 0.000 0.901 482 D HN 0.556 nan 8.370 nan 0.000 0.523 483 A N 0.814 123.633 122.820 -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 -0.573 51.446 52.037 -0.031 0.000 0.746 483 A CB 1.558 20.496 19.000 -0.104 0.000 1.221 483 A HN -0.010 nan 8.150 nan 0.000 0.443 484 I N 3.766 124.322 120.570 -0.024 0.000 2.411 484 I HA 0.317 4.487 4.170 0.000 0.000 0.284 484 I C -0.115 175.898 176.117 -0.174 0.000 1.012 484 I CA -0.708 60.525 61.300 -0.112 0.000 1.119 484 I CB 1.176 39.015 38.000 -0.268 0.000 1.261 484 I HN 0.458 nan 8.210 nan 0.000 0.448 485 V N 6.109 125.946 119.914 -0.129 0.000 2.250 485 V HA 0.424 4.544 4.120 0.000 0.000 0.268 485 V C -2.185 173.910 176.094 0.002 0.000 1.043 485 V CA -1.612 60.633 62.300 -0.092 0.000 0.814 485 V CB 1.089 32.822 31.823 -0.150 0.000 1.072 485 V HN 0.325 nan 8.190 nan 0.000 0.451 486 P HA -0.149 nan 4.420 nan 0.000 0.213 486 P C 1.945 179.257 177.300 0.020 0.000 1.170 486 P CA 2.806 65.876 63.100 -0.050 0.000 0.902 486 P CB 0.220 31.905 31.700 -0.024 0.000 0.789 487 A N -0.688 122.145 122.820 0.022 0.000 2.032 487 A HA -0.211 4.109 4.320 0.000 0.000 0.221 487 A C 2.098 179.705 177.584 0.038 0.000 1.165 487 A CA 2.582 54.633 52.037 0.024 0.000 0.645 487 A CB -1.937 17.072 19.000 0.016 0.000 0.807 487 A HN 0.390 nan 8.150 nan 0.000 0.453 488 T N -3.126 111.470 114.554 0.070 0.000 3.043 488 T HA 0.048 4.398 4.350 0.000 0.000 0.263 488 T C 1.561 176.348 174.700 0.144 0.000 1.094 488 T CA 0.924 63.089 62.100 0.109 0.000 1.127 488 T CB -0.397 68.555 68.868 0.140 0.000 0.905 488 T HN 0.099 nan 8.240 nan 0.000 0.490 489 V N 0.921 120.917 119.914 0.135 0.000 2.490 489 V HA -0.017 4.103 4.120 0.000 0.000 0.250 489 V C 1.592 177.679 176.094 -0.013 0.000 1.061 489 V CA 0.763 63.067 62.300 0.007 0.000 1.064 489 V CB -1.063 30.737 31.823 -0.039 0.000 0.670 489 V HN 0.500 nan 8.190 nan 0.000 0.461 490 M N 0.658 120.264 119.600 0.011 0.000 2.240 490 M HA 0.252 4.732 4.480 0.000 0.000 0.346 490 M C 1.024 177.326 176.300 0.003 0.000 1.236 490 M CA 0.833 56.136 55.300 0.006 0.000 0.986 490 M CB -0.494 32.110 32.600 0.008 0.000 1.786 490 M HN 0.518 nan 8.290 nan 0.000 0.457 491 A N 3.715 126.535 122.820 -0.000 0.000 2.799 491 A HA -0.238 4.082 4.320 0.000 0.000 0.274 491 A C 0.544 178.124 177.584 -0.006 0.000 1.393 491 A CA 1.640 53.676 52.037 -0.001 0.000 0.909 491 A CB -2.423 16.578 19.000 0.002 0.000 1.012 491 A HN 0.912 nan 8.150 nan 0.000 0.653 492 N N -0.339 118.351 118.700 -0.017 0.000 2.351 492 N HA 0.129 4.869 4.740 0.000 0.000 0.254 492 N C -0.607 174.875 175.510 -0.046 0.000 1.241 492 N CA 0.078 53.111 53.050 -0.028 0.000 0.883 492 N CB 0.636 39.107 38.487 -0.027 0.000 1.202 492 N HN 0.630 nan 8.380 nan 0.000 0.512 493 Q N 0.761 120.542 119.800 -0.033 0.000 2.263 493 Q HA 0.197 4.537 4.340 0.000 0.000 0.262 493 Q C -0.195 175.798 176.000 -0.012 0.000 0.984 493 Q CA -0.315 55.471 55.803 -0.029 0.000 0.813 493 Q CB 2.154 30.869 28.738 -0.037 0.000 1.299 493 Q HN 0.195 nan 8.270 nan 0.000 0.428 494 T N -1.780 112.769 114.554 -0.009 0.000 2.874 494 T HA 0.341 4.691 4.350 0.000 0.000 0.281 494 T C 1.201 175.904 174.700 0.004 0.000 0.994 494 T CA -0.313 61.785 62.100 -0.003 0.000 1.015 494 T CB 1.094 69.959 68.868 -0.005 0.000 1.028 494 T HN 0.330 nan 8.240 nan 0.000 0.523 495 S N 0.375 116.079 115.700 0.006 0.000 2.370 495 S HA -0.126 4.344 4.470 0.000 0.000 0.226 495 S C 1.988 176.600 174.600 0.020 0.000 1.033 495 S CA 0.897 59.104 58.200 0.012 0.000 1.011 495 S CB -0.479 62.725 63.200 0.008 0.000 0.852 495 S HN 0.796 nan 8.310 nan 0.000 0.457 496 E N 1.178 121.387 120.200 0.015 0.000 2.114 496 E HA -0.207 4.143 4.350 0.000 0.000 0.199 496 E C 1.979 178.599 176.600 0.033 0.000 1.008 496 E CA 1.291 57.703 56.400 0.021 0.000 0.810 496 E CB -0.160 29.544 29.700 0.006 0.000 0.739 496 E HN 0.617 nan 8.360 nan 0.000 0.456 497 E N -0.421 119.792 120.200 0.023 0.000 2.047 497 E HA -0.128 4.222 4.350 0.000 0.000 0.191 497 E C 2.264 178.898 176.600 0.057 0.000 0.987 497 E CA 1.211 57.628 56.400 0.027 0.000 0.799 497 E CB 0.083 29.784 29.700 0.002 0.000 0.752 497 E HN 0.060 nan 8.360 nan 0.000 0.449 498 V N 1.686 121.627 119.914 0.044 0.000 2.252 498 V HA -0.343 3.777 4.120 0.000 0.000 0.249 498 V C 2.409 178.564 176.094 0.101 0.000 1.056 498 V CA 2.050 64.384 62.300 0.057 0.000 1.022 498 V CB -1.035 30.809 31.823 0.036 0.000 0.641 498 V HN 0.342 nan 8.190 nan 0.000 0.445 499 A N 1.020 123.896 122.820 0.094 0.000 1.917 499 A HA -0.275 4.045 4.320 0.000 0.000 0.219 499 A C 2.576 180.318 177.584 0.264 0.000 1.182 499 A CA 2.906 55.018 52.037 0.126 0.000 0.633 499 A CB -0.984 18.063 19.000 0.080 0.000 0.819 499 A HN 0.755 nan 8.150 nan 0.000 0.448 500 S N 0.498 116.348 115.700 0.249 0.000 2.368 500 S HA 0.182 4.652 4.470 0.000 0.000 0.225 500 S C 1.301 176.186 174.600 0.475 0.000 1.030 500 S CA 0.651 59.045 58.200 0.322 0.000 0.999 500 S CB -1.193 62.068 63.200 0.102 0.000 0.844 500 S HN 1.347 nan 8.310 nan 0.000 0.459 501 A N 2.165 125.185 122.820 0.332 0.000 2.609 501 A HA 0.323 4.643 4.320 0.000 0.000 0.232 501 A C 0.460 178.227 177.584 0.306 0.000 1.041 501 A CA -0.113 52.100 52.037 0.293 0.000 0.753 501 A CB -0.499 18.593 19.000 0.153 0.000 0.966 501 A HN 0.607 nan 8.150 nan 0.000 0.510 502 L N 1.869 123.155 121.223 0.105 0.000 2.483 502 L HA 0.098 4.438 4.340 0.000 0.000 0.276 502 L C 1.953 178.870 176.870 0.079 0.000 1.213 502 L CA 0.214 55.021 54.840 -0.055 0.000 0.843 502 L CB 0.216 42.114 42.059 -0.268 0.000 1.107 502 L HN 0.954 nan 8.230 nan 0.000 0.487 503 A N 2.628 125.512 122.820 0.107 0.000 1.940 503 A HA -0.263 4.057 4.320 0.000 0.000 0.221 503 A C 1.810 179.422 177.584 0.046 0.000 1.190 503 A CA 2.215 54.297 52.037 0.076 0.000 0.647 503 A CB -0.688 18.346 19.000 0.057 0.000 0.821 503 A HN 0.940 nan 8.150 nan 0.000 0.457 504 N N 0.576 119.289 118.700 0.023 0.000 2.535 504 N HA -0.064 4.676 4.740 0.000 0.000 0.203 504 N C -0.952 174.583 175.510 0.042 0.000 1.301 504 N CA 0.401 53.468 53.050 0.029 0.000 0.859 504 N CB -0.349 38.140 38.487 0.003 0.000 1.055 504 N HN 0.464 nan 8.380 nan 0.000 0.457 505 D N -0.514 119.913 120.400 0.045 0.000 2.502 505 D HA 0.257 4.897 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 -0.294 53.726 54.000 0.034 0.000 0.839 505 D CB 2.144 42.959 40.800 0.024 0.000 1.264 505 D HN 0.108 nan 8.370 nan 0.000 0.511 506 A N 4.850 127.673 122.820 0.005 0.000 1.941 506 A HA -0.313 4.007 4.320 0.000 0.000 0.233 506 A C 2.181 179.735 177.584 -0.049 0.000 1.649 506 A CA 2.453 54.463 52.037 -0.045 0.000 0.726 506 A CB -1.018 17.954 19.000 -0.047 0.000 0.843 506 A HN 0.788 nan 8.150 nan 0.000 0.511 507 I N -0.112 120.430 120.570 -0.047 0.000 2.103 507 I HA -0.324 3.846 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 2.904 64.193 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 0.561 nan 8.210 nan 0.000 0.406 508 V N -0.389 119.540 119.914 0.025 0.000 2.667 508 V HA -0.099 4.021 4.120 0.000 0.000 0.252 508 V C 2.650 178.749 176.094 0.008 0.000 1.065 508 V CA 1.123 63.436 62.300 0.023 0.000 1.083 508 V CB -1.086 30.752 31.823 0.025 0.000 0.692 508 V HN 0.426 nan 8.190 nan 0.000 0.468 509 L N 0.204 121.457 121.223 0.050 0.000 2.046 509 L HA -0.084 4.256 4.340 0.000 0.000 0.208 509 L C 2.679 179.570 176.870 0.034 0.000 1.077 509 L CA 1.505 56.401 54.840 0.093 0.000 0.747 509 L CB -0.813 41.446 42.059 0.335 0.000 0.896 509 L HN 0.245 nan 8.230 nan 0.000 0.432 510 V N -1.296 118.732 119.914 0.191 0.000 2.270 510 V HA -0.277 3.843 4.120 0.000 0.000 0.245 510 V C 2.669 178.836 176.094 0.122 0.000 1.043 510 V CA 2.000 64.451 62.300 0.251 0.000 1.014 510 V CB -0.593 31.308 31.823 0.130 0.000 0.645 510 V HN 0.408 nan 8.190 nan 0.000 0.447 511 S N 0.391 116.129 115.700 0.064 0.000 2.370 511 S HA -0.263 4.207 4.470 0.000 0.000 0.226 511 S C 1.905 176.511 174.600 0.010 0.000 1.033 511 S CA 2.179 60.416 58.200 0.062 0.000 1.011 511 S CB -0.531 62.696 63.200 0.044 0.000 0.852 511 S HN 0.673 nan 8.310 nan 0.000 0.457 512 N N 0.586 119.225 118.700 -0.102 0.000 2.104 512 N HA -0.089 4.651 4.740 0.000 0.000 0.190 512 N C 1.446 176.874 175.510 -0.137 0.000 1.024 512 N CA 1.843 54.797 53.050 -0.161 0.000 0.853 512 N CB -0.567 37.764 38.487 -0.261 0.000 1.008 512 N HN 0.653 nan 8.380 nan 0.000 0.424 513 H N -0.121 119.009 119.070 0.100 0.000 2.321 513 H HA 0.022 4.578 4.556 0.000 0.000 0.300 513 H C 1.903 177.295 175.328 0.106 0.000 1.087 513 H CA 0.917 57.012 56.048 0.078 0.000 1.319 513 H CB -0.153 29.660 29.762 0.084 0.000 1.379 513 H HN 0.083 nan 8.280 nan 0.000 0.501 514 L N 0.568 121.924 121.223 0.223 0.000 2.129 514 L HA -0.243 4.097 4.340 0.000 0.000 0.212 514 L C 1.765 178.796 176.870 0.268 0.000 1.087 514 L CA 1.219 56.219 54.840 0.266 0.000 0.757 514 L CB -0.344 41.900 42.059 0.308 0.000 0.896 514 L HN 0.357 nan 8.230 nan 0.000 0.434 515 N N -0.167 118.619 118.700 0.145 0.000 2.188 515 N HA -0.143 4.597 4.740 0.000 0.000 0.184 515 N C 1.674 177.233 175.510 0.081 0.000 1.018 515 N CA 0.967 54.064 53.050 0.078 0.000 0.858 515 N CB -0.023 38.480 38.487 0.028 0.000 0.989 515 N HN 0.293 nan 8.380 nan 0.000 0.426 516 K N 0.273 120.731 120.400 0.097 0.000 2.057 516 K HA -0.098 4.222 4.320 0.000 0.000 0.207 516 K C 1.814 178.474 176.600 0.100 0.000 1.049 516 K CA 0.727 57.067 56.287 0.089 0.000 0.931 516 K CB -0.299 32.257 32.500 0.093 0.000 0.714 516 K HN 0.093 nan 8.250 nan 0.000 0.440 517 L N 1.552 122.858 121.223 0.137 0.000 1.989 517 L HA -0.213 4.127 4.340 0.000 0.000 0.211 517 L C 2.350 179.328 176.870 0.180 0.000 1.071 517 L CA 2.027 56.959 54.840 0.152 0.000 0.749 517 L CB -0.741 41.427 42.059 0.181 0.000 0.890 517 L HN 0.176 nan 8.230 nan 0.000 0.431 518 A N -0.551 122.404 122.820 0.225 0.000 1.917 518 A HA -0.354 3.966 4.320 0.000 0.000 0.219 518 A C 2.189 179.811 177.584 0.064 0.000 1.182 518 A CA 2.337 54.456 52.037 0.136 0.000 0.633 518 A CB -1.254 17.738 19.000 -0.013 0.000 0.819 518 A HN 0.692 nan 8.150 nan 0.000 0.448 519 N N -0.573 118.158 118.700 0.052 0.000 2.104 519 N HA -0.147 4.593 4.740 0.000 0.000 0.190 519 N C 1.510 177.043 175.510 0.039 0.000 1.024 519 N CA 1.768 54.838 53.050 0.034 0.000 0.853 519 N CB -0.235 38.271 38.487 0.032 0.000 1.008 519 N HN 0.203 nan 8.380 nan 0.000 0.424 520 V N -0.112 119.834 119.914 0.053 0.000 2.261 520 V HA -0.230 3.890 4.120 0.000 0.000 0.246 520 V C 2.192 178.317 176.094 0.053 0.000 1.047 520 V CA 1.646 63.976 62.300 0.050 0.000 1.015 520 V CB -0.566 31.291 31.823 0.056 0.000 0.642 520 V HN 0.221 nan 8.190 nan 0.000 0.446 521 V N 0.994 120.951 119.914 0.071 0.000 2.295 521 V HA -0.166 3.954 4.120 0.000 0.000 0.246 521 V C 2.637 178.766 176.094 0.057 0.000 1.049 521 V CA 2.173 64.519 62.300 0.077 0.000 1.024 521 V CB -1.703 30.188 31.823 0.114 0.000 0.648 521 V HN 0.579 nan 8.190 nan 0.000 0.447 522 G N -0.723 108.103 108.800 0.044 0.000 2.408 522 G HA2 -0.212 3.748 3.960 0.000 0.000 0.217 522 G HA3 -0.212 3.748 3.960 0.000 0.000 0.217 522 G C 1.345 176.259 174.900 0.024 0.000 1.150 522 G CA 0.899 46.016 45.100 0.028 0.000 0.776 522 G HN 0.497 nan 8.290 nan 0.000 0.542 523 D N 0.300 120.714 120.400 0.024 0.000 2.194 523 D HA 0.090 4.730 4.640 0.000 0.000 0.204 523 D C 2.602 178.916 176.300 0.022 0.000 0.964 523 D CA 1.020 55.032 54.000 0.020 0.000 0.846 523 D CB 0.280 41.091 40.800 0.018 0.000 0.962 523 D HN 0.347 nan 8.370 nan 0.000 0.490 524 A N -0.035 122.802 122.820 0.028 0.000 1.963 524 A HA 0.173 4.493 4.320 0.000 0.000 0.207 524 A C 0.933 178.537 177.584 0.033 0.000 1.243 524 A CA 0.106 52.160 52.037 0.029 0.000 0.728 524 A CB 0.409 19.427 19.000 0.029 0.000 0.895 524 A HN 0.016 nan 8.150 nan 0.000 0.467 525 I N 1.299 121.893 120.570 0.041 0.000 2.392 525 I HA 0.313 4.483 4.170 0.000 0.000 0.295 525 I C -2.208 173.935 176.117 0.044 0.000 0.985 525 I CA -2.282 59.046 61.300 0.047 0.000 1.221 525 I CB 1.781 39.817 38.000 0.060 0.000 1.366 525 I HN 0.046 nan 8.210 nan 0.000 0.467 526 P HA 0.051 nan 4.420 nan 0.000 0.231 526 P C 0.338 177.664 177.300 0.044 0.000 1.811 526 P CA -0.002 63.119 63.100 0.036 0.000 1.051 526 P CB -0.035 31.682 31.700 0.028 0.000 1.951 527 V N -1.028 118.914 119.914 0.047 0.000 3.252 527 V HA 0.488 4.608 4.120 0.000 0.000 0.350 527 V C 0.967 177.082 176.094 0.035 0.000 1.329 527 V CA -0.227 62.103 62.300 0.051 0.000 1.258 527 V CB -0.673 31.189 31.823 0.067 0.000 1.208 527 V HN 0.240 nan 8.190 nan 0.000 0.462 528 A N 0.647 123.483 122.820 0.027 0.000 2.790 528 A HA 0.454 4.774 4.320 0.000 0.000 0.225 528 A C 1.299 178.893 177.584 0.016 0.000 1.904 528 A CA 0.366 52.414 52.037 0.018 0.000 0.878 528 A CB -0.583 18.426 19.000 0.015 0.000 1.774 528 A HN 0.488 nan 8.150 nan 0.000 0.714 529 S N 1.275 116.982 115.700 0.011 0.000 3.797 529 S HA 0.189 4.659 4.470 0.000 0.000 0.187 529 S C 0.427 175.034 174.600 0.012 0.000 1.165 529 S CA 0.848 59.054 58.200 0.010 0.000 1.013 529 S CB -1.081 62.123 63.200 0.006 0.000 1.456 529 S HN 0.719 nan 8.310 nan 0.000 0.442 530 R N -2.229 118.282 120.500 0.018 0.000 2.596 530 R HA -0.112 4.228 4.340 0.000 0.000 0.496 530 R C -0.524 175.789 176.300 0.022 0.000 0.691 530 R CA 0.448 56.560 56.100 0.021 0.000 1.213 530 R CB -2.996 27.314 30.300 0.016 0.000 2.014 530 R HN 0.449 nan 8.270 nan 0.000 0.392 531 T N -0.503 114.065 114.554 0.023 0.000 2.978 531 T HA 0.248 4.598 4.350 0.000 0.000 0.278 531 T C -0.089 174.631 174.700 0.034 0.000 0.945 531 T CA -0.226 61.887 62.100 0.020 0.000 1.070 531 T CB 1.171 70.048 68.868 0.016 0.000 0.948 531 T HN 0.175 nan 8.240 nan 0.000 0.617 532 D N 2.883 123.298 120.400 0.026 0.000 2.344 532 D HA 0.223 4.863 4.640 0.000 0.000 0.253 532 D C -0.535 175.761 176.300 -0.007 0.000 1.255 532 D CA -0.159 53.865 54.000 0.040 0.000 0.894 532 D CB 0.654 41.463 40.800 0.015 0.000 1.067 532 D HN 0.660 nan 8.370 nan 0.000 0.492 533 D N 0.860 121.287 120.400 0.045 0.000 2.217 533 D HA 0.143 4.783 4.640 0.000 0.000 0.243 533 D C 1.300 177.654 176.300 0.090 0.000 1.054 533 D CA -0.486 53.533 54.000 0.033 0.000 0.838 533 D CB 1.257 42.078 40.800 0.034 0.000 1.162 533 D HN 0.189 nan 8.370 nan 0.000 0.472 534 S N 2.959 118.662 115.700 0.004 0.000 2.443 534 S HA -0.374 4.096 4.470 0.000 0.000 0.246 534 S C 2.111 176.847 174.600 0.227 0.000 1.058 534 S CA 1.371 59.633 58.200 0.104 0.000 1.028 534 S CB -0.733 62.484 63.200 0.029 0.000 0.821 534 S HN 0.582 nan 8.310 nan 0.000 0.484 535 A N 2.149 125.061 122.820 0.153 0.000 1.971 535 A HA -0.162 4.158 4.320 0.000 0.000 0.222 535 A C 2.527 180.219 177.584 0.181 0.000 1.182 535 A CA 2.517 54.641 52.037 0.145 0.000 0.649 535 A CB -1.996 17.064 19.000 0.101 0.000 0.818 535 A HN 1.044 nan 8.150 nan 0.000 0.458 536 T N -1.478 113.231 114.554 0.260 0.000 3.163 536 T HA 0.006 4.356 4.350 0.000 0.000 0.260 536 T C 1.473 176.264 174.700 0.151 0.000 1.156 536 T CA 1.161 63.403 62.100 0.237 0.000 1.072 536 T CB -0.721 68.335 68.868 0.314 0.000 0.937 536 T HN 0.589 nan 8.240 nan 0.000 0.528 537 S N 1.361 117.217 115.700 0.259 0.000 2.469 537 S HA 0.111 4.581 4.470 0.000 0.000 0.238 537 S C 2.345 176.883 174.600 -0.104 0.000 0.998 537 S CA 0.479 58.732 58.200 0.089 0.000 0.957 537 S CB -0.607 62.796 63.200 0.339 0.000 0.764 537 S HN 0.733 nan 8.310 nan 0.000 0.514 538 A N 3.246 126.041 122.820 -0.041 0.000 1.877 538 A HA 0.004 4.324 4.320 0.000 0.000 0.216 538 A C 2.268 179.791 177.584 -0.102 0.000 1.186 538 A CA 1.505 53.512 52.037 -0.050 0.000 0.620 538 A CB -0.911 18.079 19.000 -0.017 0.000 0.822 538 A HN 0.709 nan 8.150 nan 0.000 0.443 539 I N -1.826 118.668 120.570 -0.126 0.000 2.394 539 I HA -0.126 4.044 4.170 0.000 0.000 0.251 539 I C 1.888 177.864 176.117 -0.235 0.000 1.136 539 I CA 1.581 62.788 61.300 -0.154 0.000 1.425 539 I CB -0.800 37.129 38.000 -0.119 0.000 1.079 539 I HN 0.075 nan 8.210 nan 0.000 0.425 540 V N 1.505 121.184 119.914 -0.391 0.000 2.453 540 V HA -0.173 3.947 4.120 0.000 0.000 0.247 540 V C 2.735 178.613 176.094 -0.359 0.000 1.048 540 V CA 2.054 64.031 62.300 -0.537 0.000 1.049 540 V CB -0.808 30.313 31.823 -1.171 0.000 0.672 540 V HN 0.444 nan 8.190 nan 0.000 0.457 541 S N -0.021 115.528 115.700 -0.253 0.000 2.382 541 S HA -0.210 4.260 4.470 0.000 0.000 0.228 541 S C 2.136 176.684 174.600 -0.086 0.000 1.027 541 S CA 1.486 59.617 58.200 -0.116 0.000 0.991 541 S CB -0.343 62.820 63.200 -0.063 0.000 0.823 541 S HN 0.415 nan 8.310 nan 0.000 0.469 542 R N 1.402 121.844 120.500 -0.096 0.000 2.075 542 R HA 0.147 4.487 4.340 0.000 0.000 0.232 542 R C 2.085 178.341 176.300 -0.072 0.000 1.126 542 R CA 1.133 57.190 56.100 -0.072 0.000 0.963 542 R CB -0.923 29.335 30.300 -0.070 0.000 0.858 542 R HN 0.384 nan 8.270 nan 0.000 0.435 543 L N -0.479 120.678 121.223 -0.109 0.000 2.042 543 L HA -0.169 4.171 4.340 0.000 0.000 0.210 543 L C 2.334 179.164 176.870 -0.067 0.000 1.076 543 L CA 1.510 56.292 54.840 -0.097 0.000 0.749 543 L CB -0.536 41.430 42.059 -0.155 0.000 0.893 543 L HN 0.297 nan 8.230 nan 0.000 0.432 544 A N -0.582 122.168 122.820 -0.116 0.000 1.933 544 A HA -0.154 4.166 4.320 0.000 0.000 0.218 544 A C 2.191 179.765 177.584 -0.016 0.000 1.175 544 A CA 1.952 53.934 52.037 -0.091 0.000 0.628 544 A CB -0.711 18.199 19.000 -0.151 0.000 0.814 544 A HN 0.264 nan 8.150 nan 0.000 0.444 545 V N -0.463 119.440 119.914 -0.019 0.000 2.591 545 V HA -0.234 3.886 4.120 0.000 0.000 0.249 545 V C 2.410 178.493 176.094 -0.018 0.000 1.053 545 V CA 1.741 64.034 62.300 -0.011 0.000 1.068 545 V CB -1.055 30.765 31.823 -0.006 0.000 0.689 545 V HN 0.598 nan 8.190 nan 0.000 0.462 546 Q N -0.178 119.615 119.800 -0.012 0.000 2.181 546 Q HA -0.238 4.102 4.340 0.000 0.000 0.205 546 Q C 1.949 177.948 176.000 -0.000 0.000 0.980 546 Q CA 1.608 57.408 55.803 -0.006 0.000 0.862 546 Q CB -0.299 28.438 28.738 -0.002 0.000 0.905 546 Q HN 0.688 nan 8.270 nan 0.000 0.429 547 H N 0.887 119.929 119.070 -0.047 0.000 2.611 547 H HA 0.087 4.643 4.556 0.000 0.000 0.283 547 H C -0.171 175.141 175.328 -0.027 0.000 1.075 547 H CA 0.447 56.470 56.048 -0.040 0.000 1.184 547 H CB -0.265 29.463 29.762 -0.057 0.000 1.294 547 H HN -0.160 nan 8.280 nan 0.000 0.619 548 K N 0.867 121.122 120.400 -0.242 0.000 2.502 548 K HA 0.130 4.450 4.320 0.000 0.000 0.244 548 K C -0.781 175.705 176.600 -0.190 0.000 1.249 548 K CA -0.270 55.884 56.287 -0.222 0.000 1.193 548 K CB -0.858 31.579 32.500 -0.106 0.000 1.674 548 K HN 0.153 nan 8.250 nan 0.000 0.302 549 L N 1.723 122.770 121.223 -0.294 0.000 2.395 549 L HA 0.176 4.516 4.340 0.000 0.000 0.268 549 L C 0.102 176.900 176.870 -0.120 0.000 1.223 549 L CA 0.234 54.970 54.840 -0.174 0.000 1.093 549 L CB 0.253 42.226 42.059 -0.144 0.000 1.349 549 L HN 0.273 nan 8.230 nan 0.000 0.427 550 S N 1.178 116.827 115.700 -0.084 0.000 2.489 550 S HA 0.678 5.148 4.470 0.000 0.000 0.291 550 S C 0.031 174.610 174.600 -0.035 0.000 1.151 550 S CA -0.590 57.577 58.200 -0.055 0.000 1.082 550 S CB 1.171 64.345 63.200 -0.043 0.000 1.019 550 S HN 0.551 nan 8.310 nan 0.000 0.492 551 Q N 1.345 121.130 119.800 -0.025 0.000 3.182 551 Q HA 0.559 4.899 4.340 0.000 0.000 0.212 551 Q C -0.556 175.437 176.000 -0.012 0.000 1.099 551 Q CA -0.671 55.123 55.803 -0.016 0.000 0.680 551 Q CB 0.031 28.762 28.738 -0.011 0.000 3.554 551 Q HN 0.622 nan 8.270 nan 0.000 0.361 552 V N -1.196 118.713 119.914 -0.008 0.000 2.427 552 V HA 0.851 4.971 4.120 0.000 0.000 0.286 552 V C 0.596 176.688 176.094 -0.003 0.000 1.034 552 V CA 0.400 62.697 62.300 -0.005 0.000 0.893 552 V CB 0.195 32.016 31.823 -0.004 0.000 0.982 552 V HN 0.913 nan 8.190 nan 0.000 0.452 553 G N 3.355 112.154 108.800 -0.002 0.000 2.652 553 G HA2 -0.295 3.665 3.960 0.000 0.000 0.278 553 G HA3 -0.295 3.665 3.960 0.000 0.000 0.278 553 G C 0.372 175.273 174.900 0.001 0.000 1.263 553 G CA 0.565 45.665 45.100 0.000 0.000 0.966 553 G HN 1.349 nan 8.290 nan 0.000 0.544 554 Q N 2.295 122.097 119.800 0.002 0.000 2.534 554 Q HA 0.544 4.884 4.340 0.000 0.000 0.223 554 Q C 0.800 176.801 176.000 0.003 0.000 1.239 554 Q CA 0.475 56.281 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 1.132 nan 8.270 nan 0.000 0.547 555 A N 2.972 125.791 122.820 -0.002 0.000 2.346 555 A HA 0.078 4.398 4.320 0.000 0.000 0.255 555 A C 0.322 177.906 177.584 0.001 0.000 1.113 555 A CA -0.020 52.011 52.037 -0.009 0.000 0.798 555 A CB 0.299 19.286 19.000 -0.021 0.000 1.073 555 A HN 0.769 nan 8.150 nan 0.000 0.502 556 S N 1.409 117.106 115.700 -0.005 0.000 3.106 556 S HA 0.127 4.597 4.470 0.000 0.000 0.363 556 S C -1.793 172.838 174.600 0.052 0.000 1.191 556 S CA -0.470 57.747 58.200 0.028 0.000 1.191 556 S CB -0.329 62.890 63.200 0.031 0.000 0.884 556 S HN 0.478 nan 8.310 nan 0.000 0.526 557 P HA 0.193 nan 4.420 nan 0.000 0.225 557 P C -0.893 176.451 177.300 0.072 0.000 1.830 557 P CA -0.497 62.637 63.100 0.057 0.000 1.051 557 P CB -0.257 31.466 31.700 0.038 0.000 1.929 558 T N 2.916 117.535 114.554 0.108 0.000 2.794 558 T HA 0.277 4.627 4.350 0.000 0.000 0.304 558 T C -2.264 172.490 174.700 0.090 0.000 0.973 558 T CA -1.595 60.575 62.100 0.118 0.000 0.972 558 T CB -0.210 68.802 68.868 0.241 0.000 0.952 558 T HN 0.161 nan 8.240 nan 0.000 0.509 559 P HA 0.135 nan 4.420 nan 0.000 0.258 559 P C -2.288 175.070 177.300 0.096 0.000 1.187 559 P CA -0.996 62.148 63.100 0.074 0.000 0.767 559 P CB -0.569 31.166 31.700 0.058 0.000 0.770 560 P HA -0.176 nan 4.420 nan 0.000 0.265 560 P C 0.254 177.650 177.300 0.160 0.000 1.151 560 P CA 0.682 63.915 63.100 0.221 0.000 0.755 560 P CB 0.365 32.285 31.700 0.366 0.000 0.756 561 D N 1.357 121.678 120.400 -0.133 0.000 2.347 561 D HA -0.231 4.409 4.640 0.000 0.000 0.208 561 D C 1.255 177.282 176.300 -0.455 0.000 0.994 561 D CA 1.593 55.330 54.000 -0.439 0.000 0.924 561 D CB -0.598 39.855 40.800 -0.577 0.000 0.892 561 D HN 0.551 nan 8.370 nan 0.000 0.471 562 Y N -0.085 120.327 120.300 0.186 0.000 2.242 562 Y HA -0.029 4.521 4.550 0.000 0.000 0.291 562 Y C -0.395 175.715 175.900 0.349 0.000 1.137 562 Y CA 0.506 58.812 58.100 0.343 0.000 1.181 562 Y CB -1.695 36.929 38.460 0.274 0.000 0.989 562 Y HN 0.228 nan 8.280 nan 0.000 0.527 563 P HA -0.051 nan 4.420 nan 0.000 0.212 563 P C 1.667 179.061 177.300 0.157 0.000 1.171 563 P CA 1.135 64.344 63.100 0.182 0.000 0.892 563 P CB -0.024 31.742 31.700 0.110 0.000 0.769 564 L N -0.909 120.359 121.223 0.075 0.000 1.957 564 L HA -0.246 4.094 4.340 0.000 0.000 0.228 564 L C 2.689 179.550 176.870 -0.015 0.000 1.086 564 L CA 1.758 56.605 54.840 0.012 0.000 0.796 564 L CB -1.659 40.382 42.059 -0.031 0.000 0.900 564 L HN -0.092 nan 8.230 nan 0.000 0.439 565 L N -1.735 119.442 121.223 -0.077 0.000 2.141 565 L HA -0.195 4.145 4.340 0.000 0.000 0.209 565 L C 2.269 179.067 176.870 -0.121 0.000 1.094 565 L CA 1.396 56.155 54.840 -0.135 0.000 0.763 565 L CB -0.762 41.167 42.059 -0.216 0.000 0.908 565 L HN 0.376 nan 8.230 nan 0.000 0.437 566 W N 1.214 122.464 121.300 -0.083 0.000 2.318 566 W HA -0.215 4.445 4.660 0.000 0.000 0.313 566 W C 2.705 179.213 176.519 -0.018 0.000 1.221 566 W CA 1.739 59.063 57.345 -0.035 0.000 1.266 566 W CB -0.401 29.056 29.460 -0.005 0.000 1.150 566 W HN 0.151 nan 8.180 nan 0.000 0.496 567 R N -0.471 120.163 120.500 0.225 0.000 2.075 567 R HA -0.115 4.225 4.340 0.000 0.000 0.232 567 R C 2.283 178.626 176.300 0.071 0.000 1.126 567 R CA 1.584 57.772 56.100 0.146 0.000 0.963 567 R CB -0.564 29.797 30.300 0.101 0.000 0.858 567 R HN 0.093 nan 8.270 nan 0.000 0.435 568 R N 0.715 121.230 120.500 0.025 0.000 2.091 568 R HA -0.121 4.220 4.340 0.000 0.000 0.238 568 R C 2.310 178.601 176.300 -0.014 0.000 1.136 568 R CA 1.665 57.761 56.100 -0.008 0.000 0.959 568 R CB -0.468 29.807 30.300 -0.042 0.000 0.856 568 R HN 0.224 nan 8.270 nan 0.000 0.437 569 A N 1.155 123.951 122.820 -0.039 0.000 1.929 569 A HA -0.150 4.170 4.320 0.000 0.000 0.216 569 A C 2.056 179.640 177.584 0.000 0.000 1.176 569 A CA 1.370 53.370 52.037 -0.062 0.000 0.628 569 A CB -0.257 18.637 19.000 -0.177 0.000 0.816 569 A HN 0.156 nan 8.150 nan 0.000 0.444 570 K N 0.238 120.674 120.400 0.061 0.000 2.032 570 K HA -0.141 4.179 4.320 0.000 0.000 0.209 570 K C 2.095 178.735 176.600 0.067 0.000 1.048 570 K CA 1.762 58.106 56.287 0.094 0.000 0.927 570 K CB -0.321 32.262 32.500 0.139 0.000 0.712 570 K HN 0.421 nan 8.250 nan 0.000 0.441 571 R N -0.298 120.234 120.500 0.053 0.000 2.133 571 R HA -0.210 4.130 4.340 0.000 0.000 0.245 571 R C 2.365 178.688 176.300 0.039 0.000 1.137 571 R CA 1.932 58.056 56.100 0.039 0.000 0.947 571 R CB -0.700 29.616 30.300 0.027 0.000 0.865 571 R HN 0.374 nan 8.270 nan 0.000 0.437 572 A N 0.649 123.491 122.820 0.037 0.000 1.968 572 A HA -0.019 4.301 4.320 0.000 0.000 0.217 572 A C 2.334 179.976 177.584 0.097 0.000 1.169 572 A CA 1.369 53.437 52.037 0.053 0.000 0.638 572 A CB -0.581 18.437 19.000 0.030 0.000 0.812 572 A HN 0.433 nan 8.150 nan 0.000 0.446 573 A N -0.528 122.349 122.820 0.095 0.000 1.892 573 A HA -0.195 4.125 4.320 0.000 0.000 0.218 573 A C 2.479 180.156 177.584 0.154 0.000 1.188 573 A CA 2.338 54.467 52.037 0.152 0.000 0.631 573 A CB -1.123 17.945 19.000 0.114 0.000 0.822 573 A HN 0.516 nan 8.150 nan 0.000 0.447 574 S N -1.361 114.390 115.700 0.085 0.000 2.353 574 S HA -0.217 4.253 4.470 0.000 0.000 0.222 574 S C 2.038 176.643 174.600 0.008 0.000 1.035 574 S CA 2.133 60.357 58.200 0.040 0.000 1.025 574 S CB -0.386 62.835 63.200 0.034 0.000 0.902 574 S HN 0.403 nan 8.310 nan 0.000 0.440 575 M N 0.576 120.191 119.600 0.026 0.000 2.082 575 M HA -0.018 4.462 4.480 0.000 0.000 0.258 575 M C 1.732 178.024 176.300 -0.013 0.000 1.069 575 M CA 1.376 56.683 55.300 0.011 0.000 1.102 575 M CB -1.133 31.490 32.600 0.038 0.000 1.336 575 M HN 0.485 nan 8.290 nan 0.000 0.404 576 F N 0.213 120.166 119.950 0.006 0.000 2.091 576 F HA -0.211 4.316 4.527 0.000 0.000 0.299 576 F C 2.087 177.894 175.800 0.011 0.000 1.103 576 F CA 1.545 59.550 58.000 0.009 0.000 1.228 576 F CB -0.728 38.278 39.000 0.010 0.000 0.984 576 F HN -0.046 nan 8.300 nan 0.000 0.477 577 V N 0.528 120.137 119.914 -0.509 0.000 2.295 577 V HA -0.324 3.796 4.120 0.000 0.000 0.246 577 V C 2.680 178.593 176.094 -0.302 0.000 1.049 577 V CA 2.144 64.197 62.300 -0.412 0.000 1.024 577 V CB -1.487 30.261 31.823 -0.126 0.000 0.648 577 V HN 0.571 nan 8.190 nan 0.000 0.447 578 S N -0.175 115.410 115.700 -0.193 0.000 2.400 578 S HA -0.151 4.319 4.470 0.000 0.000 0.232 578 S C 1.036 175.553 174.600 -0.138 0.000 1.025 578 S CA 1.492 59.612 58.200 -0.134 0.000 0.993 578 S CB -0.287 62.866 63.200 -0.079 0.000 0.808 578 S HN 0.614 nan 8.310 nan 0.000 0.478 579 N N 0.618 119.207 118.700 -0.185 0.000 2.629 579 N HA 0.342 5.082 4.740 0.000 0.000 0.277 579 N C -2.897 172.478 175.510 -0.225 0.000 1.188 579 N CA -1.652 51.299 53.050 -0.164 0.000 0.835 579 N CB 1.786 40.225 38.487 -0.081 0.000 1.420 579 N HN -0.177 nan 8.380 nan 0.000 0.542 580 P HA -0.167 nan 4.420 nan 0.000 0.216 580 P C 1.404 178.764 177.300 0.101 0.000 1.150 580 P CA 1.522 64.502 63.100 -0.200 0.000 0.843 580 P CB 0.258 31.902 31.700 -0.094 0.000 0.787 581 S N -0.561 115.162 115.700 0.039 0.000 2.419 581 S HA -0.182 4.288 4.470 0.000 0.000 0.235 581 S C 1.889 176.535 174.600 0.077 0.000 1.019 581 S CA 1.134 59.371 58.200 0.062 0.000 0.982 581 S CB -1.818 61.399 63.200 0.028 0.000 0.789 581 S HN 0.099 nan 8.310 nan 0.000 0.490 582 L N 1.347 122.615 121.223 0.074 0.000 2.197 582 L HA -0.193 4.147 4.340 0.000 0.000 0.215 582 L C 3.062 180.000 176.870 0.113 0.000 1.095 582 L CA 1.149 56.039 54.840 0.084 0.000 0.764 582 L CB -0.911 41.193 42.059 0.074 0.000 0.897 582 L HN 0.510 nan 8.230 nan 0.000 0.436 583 A N -0.108 122.820 122.820 0.180 0.000 1.972 583 A HA -0.128 4.192 4.320 0.000 0.000 0.219 583 A C 2.139 179.764 177.584 0.067 0.000 1.169 583 A CA 1.495 53.613 52.037 0.135 0.000 0.635 583 A CB -0.460 18.629 19.000 0.148 0.000 0.810 583 A HN 0.451 nan 8.150 nan 0.000 0.446 584 L N -1.157 120.106 121.223 0.067 0.000 2.529 584 L HA 0.084 4.424 4.340 0.000 0.000 0.223 584 L C 0.573 177.455 176.870 0.020 0.000 1.113 584 L CA 0.004 54.864 54.840 0.033 0.000 0.861 584 L CB -0.024 42.052 42.059 0.028 0.000 1.012 584 L HN 0.333 nan 8.230 nan 0.000 0.461 585 Q N 0.828 120.646 119.800 0.030 0.000 2.314 585 Q HA 0.227 4.567 4.340 0.000 0.000 0.257 585 Q C -0.222 175.788 176.000 0.016 0.000 0.975 585 Q CA -0.431 55.384 55.803 0.020 0.000 0.933 585 Q CB 2.224 30.974 28.738 0.021 0.000 1.195 585 Q HN -0.068 nan 8.270 nan 0.000 0.426 586 V N 3.253 123.171 119.914 0.007 0.000 2.832 586 V HA -0.082 4.038 4.120 0.000 0.000 0.299 586 V C 1.138 177.236 176.094 0.006 0.000 1.201 586 V CA 2.361 64.664 62.300 0.004 0.000 1.325 586 V CB 0.006 31.829 31.823 -0.001 0.000 0.871 586 V HN 1.088 nan 8.190 nan 0.000 0.509 587 G N 5.462 114.265 108.800 0.005 0.000 2.212 587 G HA2 -0.175 3.785 3.960 0.000 0.000 0.255 587 G HA3 -0.175 3.785 3.960 0.000 0.000 0.255 587 G C -0.300 174.604 174.900 0.007 0.000 1.062 587 G CA 0.024 45.126 45.100 0.004 0.000 0.815 587 G HN 0.652 nan 8.290 nan 0.000 0.497 588 I N 0.127 120.703 120.570 0.011 0.000 2.321 588 I HA 0.226 4.396 4.170 0.000 0.000 0.291 588 I C -0.393 175.730 176.117 0.010 0.000 0.998 588 I CA -2.266 59.044 61.300 0.016 0.000 1.227 588 I CB 1.121 39.139 38.000 0.029 0.000 1.368 588 I HN -0.127 nan 8.210 nan 0.000 0.466 589 P HA -0.242 nan 4.420 nan 0.000 0.212 589 P C 1.517 178.814 177.300 -0.005 0.000 1.128 589 P CA 1.937 65.036 63.100 -0.001 0.000 0.961 589 P CB 0.205 31.902 31.700 -0.005 0.000 0.782 590 V N -5.022 114.888 119.914 -0.008 0.000 3.523 590 V HA 0.128 4.248 4.120 0.000 0.000 0.255 590 V C 2.081 178.164 176.094 -0.018 0.000 1.226 590 V CA 0.579 62.869 62.300 -0.017 0.000 1.092 590 V CB -1.278 30.526 31.823 -0.031 0.000 0.817 590 V HN -0.028 nan 8.190 nan 0.000 0.458 591 L N 2.058 123.278 121.223 -0.006 0.000 2.201 591 L HA -0.087 4.253 4.340 0.000 0.000 0.212 591 L C 2.933 179.796 176.870 -0.012 0.000 1.105 591 L CA 1.875 56.709 54.840 -0.010 0.000 0.775 591 L CB -1.182 40.887 42.059 0.017 0.000 0.913 591 L HN 0.588 nan 8.230 nan 0.000 0.440 592 T N -3.099 111.454 114.554 -0.002 0.000 2.795 592 T HA -0.305 4.045 4.350 0.000 0.000 0.266 592 T C 1.269 175.963 174.700 -0.010 0.000 1.056 592 T CA 0.999 63.097 62.100 -0.003 0.000 1.141 592 T CB -0.365 68.503 68.868 -0.000 0.000 0.840 592 T HN 0.165 nan 8.240 nan 0.000 0.493 593 Q N 2.172 121.962 119.800 -0.017 0.000 2.423 593 Q HA 0.261 4.601 4.340 0.000 0.000 0.235 593 Q C 1.433 177.414 176.000 -0.032 0.000 1.100 593 Q CA 0.196 55.986 55.803 -0.021 0.000 0.908 593 Q CB 1.062 29.788 28.738 -0.020 0.000 1.312 593 Q HN 0.663 nan 8.270 nan 0.000 0.497 594 S N 1.631 117.316 115.700 -0.025 0.000 2.423 594 S HA -0.202 4.268 4.470 0.000 0.000 0.238 594 S C 1.695 176.273 174.600 -0.036 0.000 1.028 594 S CA 1.284 59.466 58.200 -0.030 0.000 1.000 594 S CB -0.342 62.849 63.200 -0.015 0.000 0.797 594 S HN 0.700 nan 8.310 nan 0.000 0.487 595 G N 2.078 110.860 108.800 -0.032 0.000 2.529 595 G HA2 -0.239 3.721 3.960 0.000 0.000 0.219 595 G HA3 -0.239 3.721 3.960 0.000 0.000 0.219 595 G C 1.502 176.374 174.900 -0.047 0.000 1.177 595 G CA 1.316 46.396 45.100 -0.034 0.000 0.773 595 G HN 0.582 nan 8.290 nan 0.000 0.573 596 M N -0.557 119.009 119.600 -0.056 0.000 2.279 596 M HA 0.054 4.534 4.480 0.000 0.000 0.264 596 M C 2.411 178.653 176.300 -0.098 0.000 1.062 596 M CA 0.715 55.971 55.300 -0.074 0.000 1.099 596 M CB -0.201 32.354 32.600 -0.074 0.000 1.394 596 M HN 0.214 nan 8.290 nan 0.000 0.426 597 L N -0.335 120.826 121.223 -0.104 0.000 2.162 597 L HA -0.014 4.326 4.340 0.000 0.000 0.205 597 L C 2.463 179.268 176.870 -0.108 0.000 1.086 597 L CA 1.460 56.210 54.840 -0.150 0.000 0.778 597 L CB -0.352 41.608 42.059 -0.165 0.000 0.928 597 L HN 0.132 nan 8.230 nan 0.000 0.446 598 S N -0.079 115.582 115.700 -0.065 0.000 2.370 598 S HA -0.225 4.245 4.470 0.000 0.000 0.226 598 S C 2.143 176.719 174.600 -0.040 0.000 1.033 598 S CA 1.182 59.358 58.200 -0.040 0.000 1.011 598 S CB -0.711 62.474 63.200 -0.025 0.000 0.852 598 S HN 0.573 nan 8.310 nan 0.000 0.457 599 A N 1.355 124.148 122.820 -0.046 0.000 1.940 599 A HA -0.033 4.287 4.320 0.000 0.000 0.219 599 A C 2.144 179.703 177.584 -0.042 0.000 1.176 599 A CA 1.263 53.275 52.037 -0.042 0.000 0.631 599 A CB -0.710 18.260 19.000 -0.050 0.000 0.814 599 A HN 0.463 nan 8.150 nan 0.000 0.446 600 L N -0.806 120.379 121.223 -0.063 0.000 2.005 600 L HA -0.145 4.195 4.340 0.000 0.000 0.207 600 L C 2.737 179.585 176.870 -0.037 0.000 1.072 600 L CA 2.070 56.875 54.840 -0.058 0.000 0.744 600 L CB -0.619 41.375 42.059 -0.107 0.000 0.895 600 L HN 0.424 nan 8.230 nan 0.000 0.433 601 T N -0.262 114.260 114.554 -0.052 0.000 2.597 601 T HA -0.254 4.096 4.350 0.000 0.000 0.267 601 T C 2.001 176.697 174.700 -0.006 0.000 1.053 601 T CA 2.107 64.191 62.100 -0.026 0.000 1.165 601 T CB -0.556 68.294 68.868 -0.029 0.000 0.863 601 T HN 0.655 nan 8.240 nan 0.000 0.427 602 S N 1.586 117.281 115.700 -0.009 0.000 2.343 602 S HA -0.057 4.413 4.470 0.000 0.000 0.219 602 S C 2.454 177.057 174.600 0.004 0.000 1.033 602 S CA 1.364 59.563 58.200 -0.002 0.000 1.014 602 S CB -1.540 61.658 63.200 -0.004 0.000 0.915 602 S HN 0.573 nan 8.310 nan 0.000 0.435 603 G N 1.584 110.385 108.800 0.001 0.000 2.606 603 G HA2 -0.283 3.677 3.960 0.000 0.000 0.221 603 G HA3 -0.283 3.677 3.960 0.000 0.000 0.221 603 G C 1.510 176.423 174.900 0.021 0.000 1.152 603 G CA 1.280 46.386 45.100 0.011 0.000 0.765 603 G HN 0.512 nan 8.290 nan 0.000 0.595 604 V N 1.411 121.338 119.914 0.022 0.000 2.324 604 V HA -0.109 4.011 4.120 0.000 0.000 0.250 604 V C 2.996 179.106 176.094 0.028 0.000 1.060 604 V CA 2.837 65.156 62.300 0.031 0.000 1.042 604 V CB -0.896 30.950 31.823 0.037 0.000 0.650 604 V HN 0.460 nan 8.190 nan 0.000 0.450 605 G N -0.732 108.081 108.800 0.021 0.000 2.421 605 G HA2 -0.318 3.642 3.960 0.000 0.000 0.216 605 G HA3 -0.318 3.642 3.960 0.000 0.000 0.216 605 G C 1.723 176.633 174.900 0.017 0.000 1.171 605 G CA 1.776 46.887 45.100 0.017 0.000 0.775 605 G HN 0.609 nan 8.290 nan 0.000 0.543 606 T N 0.263 114.828 114.554 0.018 0.000 2.665 606 T HA -0.084 4.266 4.350 0.000 0.000 0.268 606 T C 2.569 177.284 174.700 0.025 0.000 1.035 606 T CA 2.159 64.271 62.100 0.020 0.000 1.151 606 T CB -0.671 68.209 68.868 0.021 0.000 0.862 606 T HN 0.443 nan 8.240 nan 0.000 0.438 607 A N 1.495 124.333 122.820 0.030 0.000 1.940 607 A HA 0.090 4.410 4.320 0.000 0.000 0.219 607 A C 2.452 180.054 177.584 0.031 0.000 1.176 607 A CA 1.544 53.602 52.037 0.036 0.000 0.631 607 A CB -0.879 18.149 19.000 0.045 0.000 0.814 607 A HN 0.573 nan 8.150 nan 0.000 0.446 608 L N -1.613 119.626 121.223 0.027 0.000 2.007 608 L HA -0.117 4.223 4.340 0.000 0.000 0.205 608 L C 2.663 179.543 176.870 0.017 0.000 1.073 608 L CA 1.485 56.338 54.840 0.022 0.000 0.744 608 L CB -0.584 41.487 42.059 0.020 0.000 0.898 608 L HN 0.416 nan 8.230 nan 0.000 0.435 609 R N 0.092 120.601 120.500 0.015 0.000 2.206 609 R HA -0.254 4.086 4.340 0.000 0.000 0.240 609 R C 1.553 177.860 176.300 0.013 0.000 1.117 609 R CA 2.683 58.790 56.100 0.012 0.000 0.915 609 R CB -0.532 29.775 30.300 0.012 0.000 0.888 609 R HN 0.503 nan 8.270 nan 0.000 0.432 610 T N -2.577 111.986 114.554 0.016 0.000 3.215 610 T HA 0.331 4.681 4.350 0.000 0.000 0.271 610 T C 0.364 175.075 174.700 0.019 0.000 1.012 610 T CA -0.100 62.010 62.100 0.016 0.000 0.899 610 T CB 0.949 69.826 68.868 0.016 0.000 1.089 610 T HN 0.350 nan 8.240 nan 0.000 0.552 611 G N 1.679 110.491 108.800 0.020 0.000 2.378 611 G HA2 0.411 4.371 3.960 0.000 0.000 0.255 611 G HA3 0.411 4.371 3.960 0.000 0.000 0.255 611 G C 0.205 175.116 174.900 0.018 0.000 1.270 611 G CA -0.610 44.504 45.100 0.022 0.000 0.876 611 G HN 0.506 nan 8.290 nan 0.000 0.521 612 S N 3.387 119.098 115.700 0.018 0.000 3.036 612 S HA 0.250 4.720 4.470 0.000 0.000 0.301 612 S C 0.596 175.205 174.600 0.015 0.000 1.205 612 S CA -0.769 57.441 58.200 0.015 0.000 0.999 612 S CB -0.209 62.999 63.200 0.014 0.000 1.337 612 S HN 0.714 nan 8.310 nan 0.000 0.515 613 L N 1.787 123.020 121.223 0.015 0.000 4.094 613 L HA -0.161 4.179 4.340 0.000 0.000 0.466 613 L C 1.118 177.997 176.870 0.016 0.000 0.991 613 L CA 0.328 55.177 54.840 0.015 0.000 0.821 613 L CB -1.939 40.129 42.059 0.015 0.000 1.201 613 L HN 0.802 nan 8.230 nan 0.000 0.757 614 G N 2.866 111.676 108.800 0.017 0.000 2.305 614 G HA2 0.207 4.167 3.960 0.000 0.000 0.281 614 G HA3 0.207 4.167 3.960 0.000 0.000 0.281 614 G C 0.306 175.216 174.900 0.015 0.000 1.085 614 G CA -0.245 44.865 45.100 0.017 0.000 1.211 614 G HN 0.533 nan 8.290 nan 0.000 0.421 615 K N 2.767 123.175 120.400 0.013 0.000 2.530 615 K HA 0.431 4.751 4.320 0.000 0.000 0.230 615 K C 0.737 177.342 176.600 0.009 0.000 1.002 615 K CA -0.514 55.780 56.287 0.012 0.000 1.014 615 K CB 0.688 33.195 32.500 0.012 0.000 1.286 615 K HN 0.410 nan 8.250 nan 0.000 0.480 616 G N 2.630 111.436 108.800 0.010 0.000 2.101 616 G HA2 -0.106 3.854 3.960 0.000 0.000 0.262 616 G HA3 -0.106 3.854 3.960 0.000 0.000 0.262 616 G C 1.216 176.119 174.900 0.005 0.000 1.041 616 G CA 0.167 45.272 45.100 0.007 0.000 1.002 616 G HN 0.532 nan 8.290 nan 0.000 0.403 617 V N 3.389 123.305 119.914 0.003 0.000 2.277 617 V HA -0.319 3.801 4.120 0.000 0.000 0.253 617 V C 3.205 179.300 176.094 0.001 0.000 1.067 617 V CA 3.649 65.949 62.300 0.001 0.000 1.047 617 V CB -0.827 30.995 31.823 -0.002 0.000 0.649 617 V HN 1.045 nan 8.190 nan 0.000 0.447 618 T N -1.678 112.876 114.554 0.001 0.000 2.570 618 T HA -0.339 4.011 4.350 0.000 0.000 0.266 618 T C 1.683 176.383 174.700 0.002 0.000 1.071 618 T CA 2.122 64.222 62.100 0.001 0.000 1.172 618 T CB -0.945 67.923 68.868 0.001 0.000 0.864 618 T HN 0.593 nan 8.240 nan 0.000 0.421 619 D N 1.848 122.250 120.400 0.003 0.000 2.178 619 D HA 0.027 4.667 4.640 0.000 0.000 0.201 619 D C 2.274 178.576 176.300 0.003 0.000 0.980 619 D CA 1.237 55.239 54.000 0.003 0.000 0.842 619 D CB -0.607 40.196 40.800 0.005 0.000 0.948 619 D HN 0.549 nan 8.370 nan 0.000 0.472 620 A N 0.253 123.075 122.820 0.004 0.000 1.841 620 A HA -0.200 4.120 4.320 0.000 0.000 0.216 620 A C 2.403 179.989 177.584 0.003 0.000 1.199 620 A CA 2.955 54.995 52.037 0.004 0.000 0.621 620 A CB -1.319 17.684 19.000 0.004 0.000 0.835 620 A HN 0.388 nan 8.150 nan 0.000 0.445 621 S N 0.147 115.848 115.700 0.002 0.000 2.380 621 S HA -0.279 4.191 4.470 0.000 0.000 0.229 621 S C 1.640 176.240 174.600 -0.000 0.000 1.043 621 S CA 1.919 60.119 58.200 0.001 0.000 1.038 621 S CB -0.568 62.632 63.200 -0.000 0.000 0.872 621 S HN 0.565 nan 8.310 nan 0.000 0.456 622 E N 1.363 121.563 120.200 -0.000 0.000 2.106 622 E HA 0.018 4.368 4.350 0.000 0.000 0.192 622 E C 2.106 178.706 176.600 -0.001 0.000 0.984 622 E CA 1.041 57.440 56.400 -0.001 0.000 0.806 622 E CB -0.210 29.489 29.700 -0.001 0.000 0.750 622 E HN 0.657 nan 8.360 nan 0.000 0.458 623 K N 0.326 120.726 120.400 -0.000 0.000 2.057 623 K HA -0.129 4.191 4.320 0.000 0.000 0.206 623 K C 2.133 178.733 176.600 -0.000 0.000 1.050 623 K CA 0.833 57.120 56.287 0.000 0.000 0.935 623 K CB -0.179 32.322 32.500 0.002 0.000 0.715 623 K HN 0.108 nan 8.250 nan 0.000 0.439 624 L N 1.949 123.173 121.223 0.001 0.000 1.997 624 L HA -0.264 4.076 4.340 0.000 0.000 0.216 624 L C 2.528 179.398 176.870 -0.000 0.000 1.074 624 L CA 1.869 56.710 54.840 0.001 0.000 0.763 624 L CB -0.582 41.478 42.059 0.001 0.000 0.890 624 L HN 0.160 nan 8.230 nan 0.000 0.434 625 R N -0.226 120.274 120.500 -0.001 0.000 2.070 625 R HA -0.152 4.188 4.340 0.000 0.000 0.232 625 R C 2.166 178.464 176.300 -0.004 0.000 1.138 625 R CA 1.683 57.782 56.100 -0.002 0.000 0.936 625 R CB -0.784 29.515 30.300 -0.002 0.000 0.839 625 R HN 0.557 nan 8.270 nan 0.000 0.429 626 A N 1.444 124.261 122.820 -0.005 0.000 1.940 626 A HA -0.187 4.133 4.320 0.000 0.000 0.219 626 A C 2.282 179.860 177.584 -0.009 0.000 1.176 626 A CA 1.593 53.625 52.037 -0.008 0.000 0.631 626 A CB -0.481 18.514 19.000 -0.008 0.000 0.814 626 A HN 0.414 nan 8.150 nan 0.000 0.446 627 R N -0.893 119.604 120.500 -0.005 0.000 2.096 627 R HA -0.146 4.194 4.340 0.000 0.000 0.235 627 R C 2.471 178.770 176.300 -0.002 0.000 1.127 627 R CA 1.626 57.724 56.100 -0.004 0.000 0.968 627 R CB -0.302 29.997 30.300 -0.001 0.000 0.861 627 R HN 0.695 nan 8.270 nan 0.000 0.440 628 Q N 0.133 119.932 119.800 -0.001 0.000 2.016 628 Q HA -0.132 4.208 4.340 0.000 0.000 0.200 628 Q C 2.323 178.322 176.000 -0.002 0.000 0.978 628 Q CA 2.019 57.822 55.803 0.001 0.000 0.833 628 Q CB 0.001 28.740 28.738 0.001 0.000 0.895 628 Q HN 0.380 nan 8.270 nan 0.000 0.427 629 S N 0.759 116.455 115.700 -0.007 0.000 2.400 629 S HA -0.205 4.265 4.470 0.000 0.000 0.232 629 S C 1.904 176.491 174.600 -0.022 0.000 1.025 629 S CA 1.079 59.271 58.200 -0.013 0.000 0.993 629 S CB -0.512 62.680 63.200 -0.013 0.000 0.808 629 S HN 0.294 nan 8.310 nan 0.000 0.478 630 L N 1.999 123.209 121.223 -0.022 0.000 1.989 630 L HA -0.115 4.225 4.340 0.000 0.000 0.211 630 L C 2.682 179.532 176.870 -0.033 0.000 1.071 630 L CA 2.271 57.092 54.840 -0.032 0.000 0.749 630 L CB -1.202 40.841 42.059 -0.026 0.000 0.890 630 L HN 0.326 nan 8.230 nan 0.000 0.431 631 T N -1.007 113.542 114.554 -0.008 0.000 2.635 631 T HA -0.242 4.108 4.350 0.000 0.000 0.267 631 T C 1.899 176.596 174.700 -0.005 0.000 1.040 631 T CA 1.907 64.015 62.100 0.014 0.000 1.156 631 T CB -0.654 68.233 68.868 0.031 0.000 0.863 631 T HN 0.213 nan 8.240 nan 0.000 0.430 632 V N 2.146 122.055 119.914 -0.009 0.000 2.231 632 V HA -0.290 3.830 4.120 0.000 0.000 0.250 632 V C 2.942 179.008 176.094 -0.048 0.000 1.058 632 V CA 2.046 64.337 62.300 -0.015 0.000 1.022 632 V CB -1.453 30.366 31.823 -0.007 0.000 0.640 632 V HN 0.602 nan 8.190 nan 0.000 0.445 633 A N -0.904 121.880 122.820 -0.061 0.000 1.940 633 A HA -0.235 4.085 4.320 0.000 0.000 0.219 633 A C 2.321 179.816 177.584 -0.149 0.000 1.176 633 A CA 1.969 53.956 52.037 -0.083 0.000 0.631 633 A CB -0.476 18.475 19.000 -0.081 0.000 0.814 633 A HN 0.538 nan 8.150 nan 0.000 0.446 634 K N -0.795 119.479 120.400 -0.209 0.000 2.032 634 K HA -0.177 4.143 4.320 0.000 0.000 0.209 634 K C 2.317 178.224 176.600 -1.155 0.000 1.048 634 K CA 1.419 57.427 56.287 -0.465 0.000 0.927 634 K CB -0.243 32.109 32.500 -0.245 0.000 0.712 634 K HN 0.459 nan 8.250 nan 0.000 0.441 635 Q N 0.149 119.640 119.800 -0.516 0.000 2.029 635 Q HA -0.209 4.131 4.340 0.000 0.000 0.209 635 Q C 2.173 178.085 176.000 -0.148 0.000 0.999 635 Q CA 2.019 57.711 55.803 -0.184 0.000 0.857 635 Q CB -0.586 28.190 28.738 0.064 0.000 0.926 635 Q HN 0.356 nan 8.270 nan 0.000 0.415 636 A N 0.449 123.207 122.820 -0.104 0.000 1.948 636 A HA -0.208 4.112 4.320 0.000 0.000 0.220 636 A C 1.928 179.507 177.584 -0.009 0.000 1.177 636 A CA 1.615 53.631 52.037 -0.036 0.000 0.636 636 A CB -0.880 18.111 19.000 -0.015 0.000 0.815 636 A HN 0.422 nan 8.150 nan 0.000 0.449 637 F N 0.273 120.066 119.950 -0.262 0.000 2.075 637 F HA -0.156 4.372 4.527 0.000 0.000 0.297 637 F C 1.830 177.592 175.800 -0.064 0.000 1.113 637 F CA 1.451 59.330 58.000 -0.201 0.000 1.218 637 F CB -0.653 38.162 39.000 -0.309 0.000 0.984 637 F HN 0.203 nan 8.300 nan 0.000 0.472 638 F N 1.468 121.260 119.950 -0.264 0.000 2.126 638 F HA -0.190 4.337 4.527 0.000 0.000 0.299 638 F C 2.389 178.071 175.800 -0.196 0.000 1.096 638 F CA 1.363 59.138 58.000 -0.376 0.000 1.255 638 F CB -1.701 37.196 39.000 -0.172 0.000 0.997 638 F HN 0.043 nan 8.300 nan 0.000 0.479 639 D N -0.063 120.387 120.400 0.084 0.000 2.116 639 D HA -0.211 4.429 4.640 0.000 0.000 0.193 639 D C 2.337 178.667 176.300 0.051 0.000 0.998 639 D CA 1.412 55.450 54.000 0.062 0.000 0.836 639 D CB -0.657 40.176 40.800 0.055 0.000 0.951 639 D HN 0.295 nan 8.370 nan 0.000 0.449 640 Q N 0.703 120.529 119.800 0.043 0.000 2.061 640 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 640 Q C 2.367 178.432 176.000 0.109 0.000 0.984 640 Q CA 1.077 56.923 55.803 0.072 0.000 0.846 640 Q CB -0.436 28.352 28.738 0.083 0.000 0.902 640 Q HN 0.356 nan 8.270 nan 0.000 0.421 641 I N 0.818 121.415 120.570 0.045 0.000 2.226 641 I HA -0.214 3.956 4.170 0.000 0.000 0.245 641 I C 2.483 178.759 176.117 0.266 0.000 1.100 641 I CA 1.219 62.613 61.300 0.157 0.000 1.374 641 I CB -0.718 37.188 38.000 -0.157 0.000 1.057 641 I HN 0.333 nan 8.210 nan 0.000 0.413 642 G N 0.452 109.311 108.800 0.098 0.000 2.469 642 G HA2 -0.347 3.613 3.960 0.000 0.000 0.219 642 G HA3 -0.347 3.613 3.960 0.000 0.000 0.219 642 G C 1.808 176.750 174.900 0.070 0.000 1.150 642 G CA 1.311 46.444 45.100 0.055 0.000 0.763 642 G HN 0.518 nan 8.290 nan 0.000 0.561 643 S N 0.276 116.030 115.700 0.090 0.000 2.368 643 S HA 0.009 4.479 4.470 0.000 0.000 0.225 643 S C 2.356 177.009 174.600 0.089 0.000 1.030 643 S CA 1.337 59.586 58.200 0.082 0.000 0.999 643 S CB -0.365 62.877 63.200 0.071 0.000 0.844 643 S HN 0.265 nan 8.310 nan 0.000 0.459 644 L N -1.176 120.132 121.223 0.140 0.000 2.270 644 L HA 0.321 4.661 4.340 0.000 0.000 0.210 644 L C 1.002 177.773 176.870 -0.165 0.000 1.104 644 L CA 0.390 55.278 54.840 0.079 0.000 0.804 644 L CB 0.129 42.365 42.059 0.296 0.000 0.937 644 L HN 0.601 nan 8.230 nan 0.000 0.450 645 W N 2.337 123.299 121.300 -0.564 0.000 2.409 645 W HA 0.260 4.920 4.660 0.000 0.000 0.285 645 W C -2.543 173.824 176.519 -0.252 0.000 1.030 645 W CA -2.083 54.864 57.345 -0.663 0.000 1.330 645 W CB 1.492 30.179 29.460 -1.288 0.000 1.236 645 W HN -0.228 nan 8.180 nan 0.000 0.341 646 P HA 0.035 nan 4.420 nan 0.000 0.252 646 P C 0.828 177.686 177.300 -0.737 0.000 1.694 646 P CA 0.533 63.532 63.100 -0.169 0.000 1.163 646 P CB -0.269 31.424 31.700 -0.011 0.000 1.934 647 G N 5.047 113.080 108.800 -1.277 0.000 2.209 647 G HA2 0.065 4.025 3.960 0.000 0.000 0.271 647 G HA3 0.065 4.025 3.960 0.000 0.000 0.271 647 G C 0.538 174.975 174.900 -0.772 0.000 1.111 647 G CA -0.212 43.907 45.100 -1.635 0.000 1.092 647 G HN 0.592 nan 8.290 nan 0.000 0.416 648 K N 0.000 120.032 120.400 -0.613 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.137 56.287 -0.250 0.000 0.838 648 K CB 0.000 32.416 32.500 -0.140 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543