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_K 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 0.000 174.609 174.700 -0.152 0.000 1.109 10 T CA 0.000 62.023 62.100 -0.129 0.000 1.349 10 T CB 0.000 68.730 68.868 -0.231 0.000 0.612 11 Y N 2.251 122.577 120.300 0.043 0.000 2.360 11 Y HA 0.677 5.227 4.550 0.000 0.000 0.337 11 Y C 0.260 176.163 175.900 0.006 0.000 1.039 11 Y CA -1.478 56.640 58.100 0.030 0.000 1.109 11 Y CB 0.467 38.954 38.460 0.045 0.000 1.201 11 Y HN 0.770 nan 8.280 nan 0.000 0.458 12 N N 3.764 122.472 118.700 0.015 0.000 2.256 12 N HA -0.132 4.608 4.740 0.000 0.000 0.277 12 N C 0.920 176.461 175.510 0.051 0.000 1.362 12 N CA 0.483 53.531 53.050 -0.004 0.000 0.861 12 N CB 0.360 38.850 38.487 0.006 0.000 1.136 12 N HN 0.880 nan 8.380 nan 0.000 0.492 13 I N 1.102 121.615 120.570 -0.095 0.000 2.493 13 I HA -0.062 4.108 4.170 0.000 0.000 0.254 13 I C 1.275 177.198 176.117 -0.322 0.000 1.160 13 I CA 0.911 62.059 61.300 -0.252 0.000 1.445 13 I CB -0.625 37.048 38.000 -0.544 0.000 1.086 13 I HN 0.552 nan 8.210 nan 0.000 0.433 14 T N -0.531 113.906 114.554 -0.194 0.000 3.624 14 T HA 0.593 4.943 4.350 0.000 0.000 0.231 14 T C 0.501 175.138 174.700 -0.104 0.000 0.865 14 T CA -0.158 61.845 62.100 -0.162 0.000 0.926 14 T CB -1.012 67.784 68.868 -0.121 0.000 1.189 14 T HN 0.484 nan 8.240 nan 0.000 0.640 15 G N 0.739 109.480 108.800 -0.098 0.000 2.788 15 G HA2 0.620 4.580 3.960 0.000 0.000 0.293 15 G HA3 0.620 4.580 3.960 0.000 0.000 0.293 15 G C -1.339 173.529 174.900 -0.053 0.000 1.305 15 G CA -0.958 44.110 45.100 -0.053 0.000 1.005 15 G HN 0.510 nan 8.290 nan 0.000 0.496 16 D N -1.765 118.621 120.400 -0.025 0.000 2.252 16 D HA 0.532 5.172 4.640 0.000 0.000 0.245 16 D C 0.688 176.994 176.300 0.010 0.000 1.009 16 D CA -0.051 53.942 54.000 -0.011 0.000 0.870 16 D CB 1.795 42.588 40.800 -0.011 0.000 1.251 16 D HN 1.331 nan 8.370 nan 0.000 0.460 17 G N 2.268 111.085 108.800 0.029 0.000 2.316 17 G HA2 -0.250 3.710 3.960 0.000 0.000 0.203 17 G HA3 -0.250 3.710 3.960 0.000 0.000 0.203 17 G C 0.031 174.984 174.900 0.089 0.000 0.999 17 G CA -0.070 45.057 45.100 0.045 0.000 0.649 17 G HN 0.846 nan 8.290 nan 0.000 0.489 18 N N 1.428 120.206 118.700 0.129 0.000 2.434 18 N HA 0.418 5.158 4.740 0.000 0.000 0.268 18 N C -0.008 175.765 175.510 0.439 0.000 1.256 18 N CA 0.788 54.005 53.050 0.278 0.000 0.914 18 N CB 1.326 39.967 38.487 0.258 0.000 1.088 18 N HN 0.293 nan 8.380 nan 0.000 0.478 19 S N 2.443 118.339 115.700 0.327 0.000 2.548 19 S HA 0.297 4.767 4.470 0.000 0.000 0.277 19 S C -0.863 173.731 174.600 -0.010 0.000 1.315 19 S CA -0.761 57.543 58.200 0.172 0.000 1.050 19 S CB -0.273 62.958 63.200 0.052 0.000 0.918 19 S HN 0.547 nan 8.310 nan 0.000 0.497 20 F N 5.202 124.962 119.950 -0.317 0.000 2.366 20 F HA 0.379 4.906 4.527 0.000 0.000 0.357 20 F C 0.242 175.788 175.800 -0.423 0.000 1.107 20 F CA -0.527 57.061 58.000 -0.686 0.000 1.208 20 F CB 0.581 39.124 39.000 -0.762 0.000 1.464 20 F HN 0.560 nan 8.300 nan 0.000 0.501 21 T N 2.945 117.200 114.554 -0.499 0.000 3.250 21 T HA 0.406 4.756 4.350 0.000 0.000 0.391 21 T C -3.011 171.408 174.700 -0.468 0.000 1.502 21 T CA -2.299 59.556 62.100 -0.408 0.000 1.320 21 T CB 0.576 69.323 68.868 -0.202 0.000 1.102 21 T HN 0.253 nan 8.240 nan 0.000 0.610 22 P HA 0.260 nan 4.420 nan 0.000 0.276 22 P C -0.102 177.054 177.300 -0.239 0.000 1.264 22 P CA 0.180 63.014 63.100 -0.444 0.000 0.769 22 P CB 0.582 31.958 31.700 -0.540 0.000 0.840 23 T N -1.318 113.130 114.554 -0.177 0.000 2.893 23 T HA 0.313 4.663 4.350 0.000 0.000 0.291 23 T C 1.371 176.024 174.700 -0.078 0.000 1.028 23 T CA -0.466 61.571 62.100 -0.106 0.000 0.995 23 T CB 1.182 69.995 68.868 -0.092 0.000 1.051 23 T HN 0.222 nan 8.240 nan 0.000 0.470 24 S N 0.505 116.175 115.700 -0.049 0.000 2.402 24 S HA -0.242 4.228 4.470 0.000 0.000 0.233 24 S C 1.513 176.098 174.600 -0.025 0.000 1.030 24 S CA 1.508 59.690 58.200 -0.030 0.000 1.003 24 S CB -0.788 62.402 63.200 -0.017 0.000 0.813 24 S HN 0.858 nan 8.310 nan 0.000 0.477 25 D N 1.141 121.520 120.400 -0.036 0.000 2.149 25 D HA -0.093 4.547 4.640 0.000 0.000 0.198 25 D C 0.881 177.156 176.300 -0.042 0.000 0.990 25 D CA 1.014 54.991 54.000 -0.038 0.000 0.839 25 D CB -0.034 40.741 40.800 -0.041 0.000 0.948 25 D HN 0.457 nan 8.370 nan 0.000 0.460 26 M N 0.903 120.468 119.600 -0.058 0.000 3.076 26 M HA 0.120 4.600 4.480 0.000 0.000 0.296 26 M C -0.620 175.654 176.300 -0.044 0.000 1.185 26 M CA -0.186 55.073 55.300 -0.068 0.000 0.932 26 M CB 1.474 34.002 32.600 -0.121 0.000 1.288 26 M HN -0.313 nan 8.290 nan 0.000 0.536 27 T N 1.022 115.566 114.554 -0.016 0.000 2.750 27 T HA 0.134 4.484 4.350 0.000 0.000 0.286 27 T C 0.656 175.382 174.700 0.043 0.000 0.911 27 T CA 0.083 62.185 62.100 0.003 0.000 1.130 27 T CB 0.042 68.917 68.868 0.012 0.000 0.873 27 T HN 0.460 nan 8.240 nan 0.000 0.536 28 S N 2.994 118.730 115.700 0.060 0.000 2.836 28 S HA 0.013 4.483 4.470 0.000 0.000 0.344 28 S C 0.683 175.358 174.600 0.124 0.000 1.215 28 S CA 0.344 58.648 58.200 0.173 0.000 0.988 28 S CB 0.078 63.343 63.200 0.108 0.000 0.654 28 S HN 0.927 nan 8.310 nan 0.000 0.458 29 T N 0.053 114.687 114.554 0.133 0.000 2.927 29 T HA 0.557 4.907 4.350 0.000 0.000 0.350 29 T C -1.033 173.695 174.700 0.047 0.000 1.746 29 T CA 0.150 62.304 62.100 0.090 0.000 1.081 29 T CB 0.811 69.719 68.868 0.066 0.000 1.551 29 T HN 1.141 nan 8.240 nan 0.000 0.489 30 A N 1.624 124.469 122.820 0.042 0.000 2.548 30 A HA 1.002 5.322 4.320 0.000 0.000 0.282 30 A C -0.810 176.790 177.584 0.026 0.000 1.288 30 A CA -0.204 51.838 52.037 0.008 0.000 0.748 30 A CB 0.844 19.860 19.000 0.026 0.000 1.339 30 A HN 1.598 nan 8.150 nan 0.000 0.475 31 A N 0.663 123.500 122.820 0.028 0.000 2.511 31 A HA 0.626 4.946 4.320 0.000 0.000 0.340 31 A C -1.831 175.788 177.584 0.058 0.000 1.396 31 A CA -1.251 50.811 52.037 0.042 0.000 0.887 31 A CB -0.441 18.579 19.000 0.035 0.000 1.145 31 A HN 0.441 nan 8.150 nan 0.000 0.497 32 P HA 0.095 nan 4.420 nan 0.000 0.213 32 P C 0.522 177.854 177.300 0.053 0.000 1.170 32 P CA 1.769 64.910 63.100 0.068 0.000 0.893 32 P CB 0.320 32.059 31.700 0.065 0.000 0.784 33 A N -1.289 121.555 122.820 0.040 0.000 2.594 33 A HA 0.634 4.954 4.320 0.000 0.000 0.295 33 A C -1.130 176.473 177.584 0.032 0.000 1.071 33 A CA -0.596 51.460 52.037 0.032 0.000 0.685 33 A CB 0.789 19.805 19.000 0.027 0.000 1.285 33 A HN 0.065 nan 8.150 nan 0.000 0.405 34 I N -1.667 118.925 120.570 0.036 0.000 2.797 34 I HA 0.695 4.865 4.170 0.000 0.000 0.307 34 I C -0.296 175.848 176.117 0.045 0.000 1.033 34 I CA -0.863 60.465 61.300 0.046 0.000 1.071 34 I CB 1.214 39.256 38.000 0.070 0.000 1.255 34 I HN 0.487 nan 8.210 nan 0.000 0.445 35 D N 2.615 123.033 120.400 0.031 0.000 2.412 35 D HA 0.178 4.818 4.640 0.000 0.000 0.257 35 D C -0.359 175.963 176.300 0.037 0.000 1.217 35 D CA 0.588 54.601 54.000 0.021 0.000 0.897 35 D CB 0.496 41.294 40.800 -0.002 0.000 1.132 35 D HN 0.666 nan 8.370 nan 0.000 0.493 36 L N 3.963 125.210 121.223 0.040 0.000 3.186 36 L HA 0.266 4.606 4.340 0.000 0.000 0.292 36 L C 0.032 176.917 176.870 0.025 0.000 1.303 36 L CA -0.468 54.402 54.840 0.051 0.000 0.940 36 L CB -0.067 42.039 42.059 0.078 0.000 1.358 36 L HN 0.226 nan 8.230 nan 0.000 0.581 37 K N 0.499 120.904 120.400 0.008 0.000 2.350 37 K HA 0.204 4.524 4.320 0.000 0.000 0.279 37 K C -1.629 174.971 176.600 -0.001 0.000 1.027 37 K CA -1.278 55.010 56.287 0.002 0.000 0.969 37 K CB 1.268 33.765 32.500 -0.005 0.000 0.954 37 K HN 0.001 nan 8.250 nan 0.000 0.474 38 P HA -0.186 nan 4.420 nan 0.000 0.215 38 P C 0.986 178.284 177.300 -0.004 0.000 1.157 38 P CA 1.609 64.709 63.100 0.001 0.000 0.874 38 P CB 0.045 31.747 31.700 0.003 0.000 0.790 39 G N -0.508 108.290 108.800 -0.004 0.000 2.547 39 G HA2 -0.298 3.662 3.960 0.000 0.000 0.221 39 G HA3 -0.298 3.662 3.960 0.000 0.000 0.221 39 G C 1.613 176.506 174.900 -0.012 0.000 1.140 39 G CA 1.068 46.165 45.100 -0.005 0.000 0.760 39 G HN 0.222 nan 8.290 nan 0.000 0.583 40 V N 0.546 120.449 119.914 -0.019 0.000 2.871 40 V HA 0.039 4.159 4.120 0.000 0.000 0.256 40 V C 2.789 178.851 176.094 -0.053 0.000 1.082 40 V CA 0.917 63.196 62.300 -0.035 0.000 1.105 40 V CB -0.047 31.754 31.823 -0.037 0.000 0.713 40 V HN 0.357 nan 8.190 nan 0.000 0.473 41 L N 0.325 121.523 121.223 -0.042 0.000 2.191 41 L HA -0.188 4.152 4.340 0.000 0.000 0.212 41 L C 2.309 179.147 176.870 -0.054 0.000 1.103 41 L CA 1.652 56.459 54.840 -0.055 0.000 0.769 41 L CB -0.796 41.248 42.059 -0.025 0.000 0.908 41 L HN 0.470 nan 8.230 nan 0.000 0.438 42 N N 0.544 119.228 118.700 -0.028 0.000 2.004 42 N HA -0.110 4.630 4.740 0.000 0.000 0.196 42 N C -1.431 174.078 175.510 -0.003 0.000 1.064 42 N CA 0.573 53.618 53.050 -0.008 0.000 0.855 42 N CB -0.904 37.590 38.487 0.012 0.000 1.056 42 N HN 0.044 nan 8.380 nan 0.000 0.423 43 P HA -0.142 nan 4.420 nan 0.000 0.191 43 P C -0.494 176.853 177.300 0.078 0.000 0.906 43 P CA 0.955 64.081 63.100 0.044 0.000 1.011 43 P CB -0.118 31.602 31.700 0.034 0.000 1.090 44 T N 0.900 115.525 114.554 0.118 0.000 3.553 44 T HA 0.218 4.568 4.350 0.000 0.000 0.144 44 T C 0.344 175.132 174.700 0.146 0.000 0.676 44 T CA 0.483 62.651 62.100 0.115 0.000 0.824 44 T CB -0.674 68.260 68.868 0.109 0.000 0.880 44 T HN 0.228 nan 8.240 nan 0.000 0.260 45 G N 3.187 112.105 108.800 0.197 0.000 2.299 45 G HA2 0.436 4.396 3.960 0.000 0.000 0.256 45 G HA3 0.436 4.396 3.960 0.000 0.000 0.256 45 G C -0.294 174.758 174.900 0.253 0.000 1.259 45 G CA 0.141 45.385 45.100 0.240 0.000 0.943 45 G HN 0.558 nan 8.290 nan 0.000 0.479 46 K N 2.337 122.884 120.400 0.245 0.000 2.270 46 K HA 0.319 4.639 4.320 0.000 0.000 0.276 46 K C -0.146 176.531 176.600 0.128 0.000 1.023 46 K CA -0.595 55.748 56.287 0.094 0.000 0.955 46 K CB 0.969 33.405 32.500 -0.106 0.000 0.975 46 K HN 0.333 nan 8.250 nan 0.000 0.471 47 L N 5.074 126.320 121.223 0.038 0.000 2.290 47 L HA 0.412 4.752 4.340 0.000 0.000 0.284 47 L C -1.118 175.768 176.870 0.027 0.000 1.078 47 L CA -0.014 54.916 54.840 0.150 0.000 0.815 47 L CB 0.231 42.400 42.059 0.183 0.000 1.162 47 L HN 0.688 nan 8.230 nan 0.000 0.435 48 W N 4.334 125.705 121.300 0.118 0.000 3.307 48 W HA 0.732 5.392 4.660 0.000 0.000 0.325 48 W C -0.618 176.015 176.519 0.189 0.000 1.255 48 W CA -0.827 56.581 57.345 0.105 0.000 1.006 48 W CB 0.769 30.284 29.460 0.092 0.000 1.608 48 W HN 0.129 nan 8.180 nan 0.000 0.620 49 R N 0.593 121.333 120.500 0.400 0.000 2.604 49 R HA 0.256 4.596 4.340 0.000 0.000 0.270 49 R C -2.770 173.563 176.300 0.056 0.000 1.052 49 R CA -2.531 53.733 56.100 0.274 0.000 0.902 49 R CB 0.963 31.365 30.300 0.170 0.000 1.233 49 R HN 0.065 nan 8.270 nan 0.000 0.455 50 P HA 0.015 nan 4.420 nan 0.000 0.244 50 P C 0.453 177.735 177.300 -0.030 0.000 1.723 50 P CA 0.390 63.425 63.100 -0.109 0.000 1.110 50 P CB 0.082 31.731 31.700 -0.084 0.000 1.972 51 V N 1.647 121.543 119.914 -0.029 0.000 0.588 51 V HA -0.372 3.748 4.120 0.000 0.000 0.092 51 V C 1.728 177.832 176.094 0.016 0.000 1.830 51 V CA 2.552 64.850 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 0.588 nan 8.190 nan 0.000 0.712 52 G N -1.918 106.894 108.800 0.020 0.000 3.990 52 G HA2 0.220 4.180 3.960 0.000 0.000 0.213 52 G HA3 0.220 4.180 3.960 0.000 0.000 0.213 52 G C 0.175 175.092 174.900 0.029 0.000 0.849 52 G CA 0.898 46.015 45.100 0.028 0.000 0.857 52 G HN 1.476 nan 8.290 nan 0.000 0.484 53 T N 0.940 115.507 114.554 0.021 0.000 2.698 53 T HA 0.533 4.883 4.350 0.000 0.000 0.295 53 T C 1.421 176.139 174.700 0.031 0.000 1.007 53 T CA 0.733 62.846 62.100 0.021 0.000 0.980 53 T CB 0.843 69.718 68.868 0.012 0.000 1.036 53 T HN 1.065 nan 8.240 nan 0.000 0.526 54 S N -0.488 115.230 115.700 0.029 0.000 2.650 54 S HA 0.181 4.651 4.470 0.000 0.000 0.251 54 S C 0.364 174.988 174.600 0.041 0.000 1.325 54 S CA -0.938 57.283 58.200 0.035 0.000 0.967 54 S CB -0.350 62.865 63.200 0.025 0.000 1.000 54 S HN 0.683 nan 8.310 nan 0.000 0.584 55 V N 1.522 121.463 119.914 0.045 0.000 2.326 55 V HA 0.536 4.656 4.120 0.000 0.000 0.249 55 V C 0.873 176.986 176.094 0.033 0.000 1.114 55 V CA 0.657 62.990 62.300 0.055 0.000 1.028 55 V CB -0.946 30.914 31.823 0.062 0.000 1.170 55 V HN 1.051 nan 8.190 nan 0.000 0.494 56 A N 3.377 126.210 122.820 0.022 0.000 1.519 56 A HA 0.085 4.405 4.320 0.000 0.000 0.210 56 A C 1.624 179.199 177.584 -0.014 0.000 1.889 56 A CA 0.595 52.635 52.037 0.005 0.000 1.478 56 A CB -0.027 18.975 19.000 0.003 0.000 1.432 56 A HN 0.596 nan 8.150 nan 0.000 0.340 57 T N 0.694 115.235 114.554 -0.022 0.000 3.427 57 T HA 0.118 4.468 4.350 0.000 0.000 0.256 57 T C 1.428 176.066 174.700 -0.104 0.000 1.172 57 T CA 0.851 62.920 62.100 -0.052 0.000 1.018 57 T CB -1.088 67.754 68.868 -0.043 0.000 0.981 57 T HN 0.381 nan 8.240 nan 0.000 0.555 58 I N 2.937 123.440 120.570 -0.111 0.000 2.229 58 I HA -0.342 3.828 4.170 0.000 0.000 0.250 58 I C 2.694 178.681 176.117 -0.216 0.000 1.096 58 I CA 2.002 63.190 61.300 -0.187 0.000 1.358 58 I CB -0.724 37.229 38.000 -0.079 0.000 1.047 58 I HN 0.467 nan 8.210 nan 0.000 0.422 59 D N 0.316 120.634 120.400 -0.136 0.000 2.280 59 D HA -0.153 4.487 4.640 0.000 0.000 0.206 59 D C 0.654 176.868 176.300 -0.145 0.000 0.988 59 D CA 1.048 54.973 54.000 -0.125 0.000 0.886 59 D CB -0.119 40.633 40.800 -0.081 0.000 0.914 59 D HN 0.363 nan 8.370 nan 0.000 0.473 60 S N -0.276 115.328 115.700 -0.159 0.000 2.561 60 S HA 0.572 5.042 4.470 0.000 0.000 0.303 60 S C -0.379 174.113 174.600 -0.180 0.000 1.110 60 S CA -0.851 57.267 58.200 -0.137 0.000 1.034 60 S CB 1.913 65.067 63.200 -0.076 0.000 1.010 60 S HN 0.167 nan 8.310 nan 0.000 0.482 61 L N 2.175 123.297 121.223 -0.168 0.000 2.386 61 L HA 0.871 5.211 4.340 0.000 0.000 0.271 61 L C -0.188 176.822 176.870 0.234 0.000 0.993 61 L CA -1.029 53.774 54.840 -0.061 0.000 0.819 61 L CB 1.791 43.691 42.059 -0.265 0.000 1.294 61 L HN 0.666 nan 8.230 nan 0.000 0.414 62 A N 3.057 126.029 122.820 0.253 0.000 2.304 62 A HA 0.760 5.080 4.320 0.000 0.000 0.323 62 A C -0.218 177.481 177.584 0.191 0.000 1.195 62 A CA -0.633 51.536 52.037 0.220 0.000 0.826 62 A CB 0.580 19.622 19.000 0.070 0.000 1.184 62 A HN 0.714 nan 8.150 nan 0.000 0.496 63 I N 1.962 122.481 120.570 -0.084 0.000 2.710 63 I HA 0.343 4.513 4.170 0.000 0.000 0.286 63 I C 0.862 176.823 176.117 -0.260 0.000 1.181 63 I CA -0.603 60.474 61.300 -0.372 0.000 1.430 63 I CB -0.243 37.327 38.000 -0.717 0.000 1.367 63 I HN 0.593 nan 8.210 nan 0.000 0.577 64 V N 2.439 122.202 119.914 -0.251 0.000 3.803 64 V HA 0.015 4.135 4.120 0.000 0.000 0.300 64 V C 0.931 176.763 176.094 -0.437 0.000 1.111 64 V CA -0.032 62.108 62.300 -0.268 0.000 1.189 64 V CB 0.633 32.343 31.823 -0.188 0.000 1.118 64 V HN 1.001 nan 8.190 nan 0.000 0.486 65 S N 1.264 116.671 115.700 -0.489 0.000 3.517 65 S HA 0.105 4.575 4.470 0.000 0.000 0.284 65 S C 0.973 175.059 174.600 -0.856 0.000 1.260 65 S CA 0.023 57.845 58.200 -0.631 0.000 0.975 65 S CB -1.184 61.657 63.200 -0.598 0.000 1.540 65 S HN 1.039 nan 8.310 nan 0.000 0.506 66 D N 4.403 124.282 120.400 -0.868 0.000 2.178 66 D HA -0.206 4.434 4.640 0.000 0.000 0.201 66 D C 1.705 177.609 176.300 -0.659 0.000 0.980 66 D CA 0.758 54.092 54.000 -1.109 0.000 0.842 66 D CB -0.286 40.040 40.800 -0.790 0.000 0.948 66 D HN 0.524 nan 8.370 nan 0.000 0.472 67 R N -0.284 119.851 120.500 -0.609 0.000 2.224 67 R HA -0.233 4.107 4.340 0.000 0.000 0.255 67 R C 1.033 177.098 176.300 -0.392 0.000 1.130 67 R CA 2.599 58.368 56.100 -0.552 0.000 0.957 67 R CB -0.455 29.392 30.300 -0.756 0.000 0.907 67 R HN 0.520 nan 8.270 nan 0.000 0.446 68 F N -5.017 114.897 119.950 -0.060 0.000 3.083 68 F HA 0.546 5.073 4.527 0.000 0.000 0.355 68 F C 0.143 175.995 175.800 0.087 0.000 1.194 68 F CA -0.148 57.870 58.000 0.030 0.000 1.027 68 F CB 0.174 39.185 39.000 0.019 0.000 1.386 68 F HN 0.078 nan 8.300 nan 0.000 0.513 69 G N -0.031 108.721 108.800 -0.079 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 -1.383 173.024 174.900 -0.823 0.000 1.192 69 G CA -0.720 44.345 45.100 -0.059 0.000 1.063 69 G HN -0.030 nan 8.290 nan 0.000 0.538 70 Q N 0.713 119.492 119.800 -1.701 0.000 3.970 70 Q HA -0.038 4.302 4.340 0.000 0.000 0.367 70 Q C -0.801 174.641 176.000 -0.930 0.000 1.189 70 Q CA 0.971 55.714 55.803 -1.767 0.000 1.212 70 Q CB -1.015 27.228 28.738 -0.825 0.000 1.037 70 Q HN 0.451 nan 8.270 nan 0.000 0.474 71 Y N -0.826 119.073 120.300 -0.668 0.000 2.780 71 Y HA 0.414 4.964 4.550 0.000 0.000 0.340 71 Y C 1.288 177.194 175.900 0.010 0.000 1.216 71 Y CA -1.168 56.840 58.100 -0.153 0.000 1.245 71 Y CB 0.605 39.080 38.460 0.024 0.000 1.492 71 Y HN 0.237 nan 8.280 nan 0.000 0.660 72 S N 0.638 116.480 115.700 0.237 0.000 2.559 72 S HA -0.063 4.407 4.470 0.000 0.000 0.282 72 S C -0.608 174.051 174.600 0.098 0.000 1.336 72 S CA -0.434 57.854 58.200 0.147 0.000 1.037 72 S CB -0.223 63.043 63.200 0.109 0.000 0.853 72 S HN 0.361 nan 8.310 nan 0.000 0.523 73 F N 3.112 123.146 119.950 0.139 0.000 2.569 73 F HA 0.044 4.571 4.527 0.000 0.000 0.395 73 F C 0.314 176.156 175.800 0.071 0.000 1.028 73 F CA -0.048 58.016 58.000 0.107 0.000 1.158 73 F CB -0.191 38.861 39.000 0.087 0.000 1.023 73 F HN 0.222 nan 8.300 nan 0.000 0.547 74 V N 5.785 125.006 119.914 -1.156 0.000 2.763 74 V HA -0.136 3.984 4.120 0.000 0.000 0.306 74 V C 0.703 176.593 176.094 -0.341 0.000 1.059 74 V CA -0.537 61.410 62.300 -0.589 0.000 1.138 74 V CB 0.304 31.842 31.823 -0.475 0.000 0.940 74 V HN 0.677 nan 8.190 nan 0.000 0.489 75 N N 3.344 121.932 118.700 -0.187 0.000 2.399 75 N HA -0.049 4.691 4.740 0.000 0.000 0.284 75 N C 1.244 176.687 175.510 -0.112 0.000 1.283 75 N CA 0.489 53.471 53.050 -0.113 0.000 0.972 75 N CB 0.034 38.434 38.487 -0.145 0.000 1.328 75 N HN 0.838 nan 8.380 nan 0.000 0.486 76 E N 2.556 122.748 120.200 -0.012 0.000 2.172 76 E HA -0.289 4.061 4.350 0.000 0.000 0.213 76 E C 1.374 177.933 176.600 -0.067 0.000 1.051 76 E CA 1.968 58.368 56.400 -0.001 0.000 0.860 76 E CB -0.122 29.614 29.700 0.060 0.000 0.755 76 E HN 0.782 nan 8.360 nan 0.000 0.462 77 G N 0.513 109.257 108.800 -0.093 0.000 2.394 77 G HA2 -0.249 3.711 3.960 0.000 0.000 0.215 77 G HA3 -0.249 3.711 3.960 0.000 0.000 0.215 77 G C 1.493 176.251 174.900 -0.237 0.000 1.165 77 G CA 0.724 45.746 45.100 -0.130 0.000 0.784 77 G HN 0.268 nan 8.290 nan 0.000 0.535 78 M N 1.147 120.553 119.600 -0.323 0.000 2.132 78 M HA -0.074 4.406 4.480 0.000 0.000 0.263 78 M C 2.871 178.818 176.300 -0.588 0.000 1.065 78 M CA 1.749 56.678 55.300 -0.617 0.000 1.122 78 M CB -0.149 32.095 32.600 -0.593 0.000 1.365 78 M HN 0.357 nan 8.290 nan 0.000 0.411 79 R N 0.056 120.369 120.500 -0.312 0.000 2.094 79 R HA -0.195 4.145 4.340 0.000 0.000 0.239 79 R C 1.742 177.953 176.300 -0.150 0.000 1.137 79 R CA 2.072 58.059 56.100 -0.188 0.000 0.943 79 R CB -1.213 29.012 30.300 -0.125 0.000 0.850 79 R HN 0.499 nan 8.270 nan 0.000 0.433 80 E N 0.687 120.801 120.200 -0.144 0.000 2.051 80 E HA -0.177 4.173 4.350 0.000 0.000 0.192 80 E C 2.295 178.811 176.600 -0.139 0.000 0.991 80 E CA 2.071 58.402 56.400 -0.115 0.000 0.799 80 E CB -0.238 29.413 29.700 -0.081 0.000 0.748 80 E HN 0.671 nan 8.360 nan 0.000 0.449 81 T N 0.188 114.646 114.554 -0.160 0.000 2.607 81 T HA -0.203 4.147 4.350 0.000 0.000 0.267 81 T C 1.825 176.549 174.700 0.040 0.000 1.049 81 T CA 1.263 63.299 62.100 -0.106 0.000 1.162 81 T CB -0.644 68.132 68.868 -0.154 0.000 0.863 81 T HN -0.027 nan 8.240 nan 0.000 0.424 82 F N 1.969 121.809 119.950 -0.183 0.000 2.120 82 F HA -0.016 4.511 4.527 0.000 0.000 0.300 82 F C 3.215 178.841 175.800 -0.290 0.000 1.095 82 F CA 0.490 58.362 58.000 -0.213 0.000 1.249 82 F CB -1.664 37.218 39.000 -0.197 0.000 0.995 82 F HN 0.322 nan 8.300 nan 0.000 0.480 83 S N -0.126 115.477 115.700 -0.163 0.000 2.370 83 S HA -0.172 4.298 4.470 0.000 0.000 0.226 83 S C 2.219 176.244 174.600 -0.959 0.000 1.033 83 S CA 1.155 59.094 58.200 -0.435 0.000 1.011 83 S CB -0.116 62.881 63.200 -0.339 0.000 0.852 83 S HN 0.157 nan 8.310 nan 0.000 0.457 84 K N 1.681 121.643 120.400 -0.731 0.000 2.063 84 K HA 0.027 4.347 4.320 0.000 0.000 0.208 84 K C 2.376 178.770 176.600 -0.343 0.000 1.048 84 K CA 1.329 57.227 56.287 -0.649 0.000 0.928 84 K CB -1.308 31.054 32.500 -0.230 0.000 0.713 84 K HN 0.460 nan 8.250 nan 0.000 0.442 85 A N 1.679 124.375 122.820 -0.207 0.000 1.883 85 A HA -0.177 4.143 4.320 0.000 0.000 0.217 85 A C 2.247 179.766 177.584 -0.109 0.000 1.186 85 A CA 1.562 53.532 52.037 -0.111 0.000 0.624 85 A CB -0.706 18.229 19.000 -0.107 0.000 0.822 85 A HN 0.235 nan 8.150 nan 0.000 0.444 86 L N -0.748 120.370 121.223 -0.176 0.000 2.127 86 L HA -0.108 4.232 4.340 0.000 0.000 0.211 86 L C 2.179 179.106 176.870 0.095 0.000 1.089 86 L CA 1.666 56.459 54.840 -0.080 0.000 0.757 86 L CB -0.695 41.304 42.059 -0.101 0.000 0.899 86 L HN 0.496 nan 8.230 nan 0.000 0.434 87 F N -0.502 119.425 119.950 -0.037 0.000 2.186 87 F HA -0.228 4.299 4.527 0.000 0.000 0.299 87 F C 2.066 177.841 175.800 -0.042 0.000 1.090 87 F CA 0.486 58.461 58.000 -0.042 0.000 1.307 87 F CB -0.491 38.484 39.000 -0.043 0.000 1.019 87 F HN 0.167 nan 8.300 nan 0.000 0.489 88 D N 1.157 121.646 120.400 0.148 0.000 2.154 88 D HA -0.243 4.397 4.640 0.000 0.000 0.190 88 D C 2.149 178.589 176.300 0.233 0.000 1.003 88 D CA 1.636 55.700 54.000 0.107 0.000 0.849 88 D CB -0.245 40.632 40.800 0.129 0.000 0.942 88 D HN 0.095 nan 8.370 nan 0.000 0.446 89 I N 0.727 121.416 120.570 0.198 0.000 2.286 89 I HA -0.204 3.966 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 1.236 62.604 61.300 0.113 0.000 1.392 89 I CB -1.325 36.559 38.000 -0.194 0.000 1.065 89 I HN 0.157 nan 8.210 nan 0.000 0.418 90 N N 1.093 119.834 118.700 0.067 0.000 2.205 90 N HA -0.184 4.556 4.740 0.000 0.000 0.186 90 N C 1.826 177.371 175.510 0.058 0.000 1.015 90 N CA 1.080 54.157 53.050 0.045 0.000 0.862 90 N CB -0.238 38.275 38.487 0.043 0.000 0.986 90 N HN 0.390 nan 8.380 nan 0.000 0.429 91 M N -0.707 118.921 119.600 0.047 0.000 2.267 91 M HA -0.128 4.352 4.480 0.000 0.000 0.263 91 M C 0.797 177.146 176.300 0.082 0.000 1.063 91 M CA 1.270 56.526 55.300 -0.072 0.000 1.090 91 M CB -0.081 32.328 32.600 -0.319 0.000 1.392 91 M HN 0.281 nan 8.290 nan 0.000 0.422 92 W N 0.502 121.902 121.300 0.167 0.000 3.102 92 W HA 0.222 4.882 4.660 0.000 0.000 0.401 92 W C 1.550 178.258 176.519 0.315 0.000 1.070 92 W CA -0.350 57.177 57.345 0.304 0.000 1.921 92 W CB -0.426 29.365 29.460 0.553 0.000 1.118 92 W HN 0.416 nan 8.180 nan 0.000 0.647 93 Q N 1.584 121.588 119.800 0.340 0.000 2.096 93 Q HA -0.219 4.121 4.340 0.000 0.000 0.208 93 Q C -0.124 176.006 176.000 0.216 0.000 0.993 93 Q CA 2.481 58.416 55.803 0.221 0.000 0.862 93 Q CB -0.883 27.912 28.738 0.095 0.000 0.915 93 Q HN 0.021 nan 8.270 nan 0.000 0.416 94 P HA -0.183 nan 4.420 nan 0.000 0.218 94 P C 1.252 178.587 177.300 0.058 0.000 1.148 94 P CA 1.021 64.183 63.100 0.102 0.000 0.822 94 P CB 0.003 31.748 31.700 0.076 0.000 0.784 95 L N -1.425 119.853 121.223 0.093 0.000 2.068 95 L HA 0.072 4.412 4.340 0.000 0.000 0.204 95 L C 2.535 179.325 176.870 -0.132 0.000 1.076 95 L CA 1.417 56.178 54.840 -0.132 0.000 0.753 95 L CB -1.545 40.346 42.059 -0.280 0.000 0.910 95 L HN -0.262 nan 8.230 nan 0.000 0.439 96 F N 0.338 120.326 119.950 0.063 0.000 2.063 96 F HA -0.348 4.179 4.527 0.000 0.000 0.298 96 F C 2.740 178.564 175.800 0.040 0.000 1.109 96 F CA 2.248 60.341 58.000 0.156 0.000 1.212 96 F CB -0.567 38.551 39.000 0.197 0.000 0.973 96 F HN 0.205 nan 8.300 nan 0.000 0.480 97 Q N -0.643 119.290 119.800 0.222 0.000 2.112 97 Q HA -0.241 4.099 4.340 0.000 0.000 0.206 97 Q C 2.406 178.420 176.000 0.024 0.000 0.987 97 Q CA 1.694 57.562 55.803 0.107 0.000 0.858 97 Q CB -0.429 28.359 28.738 0.083 0.000 0.905 97 Q HN 0.471 nan 8.270 nan 0.000 0.420 98 A N 0.263 123.062 122.820 -0.035 0.000 1.969 98 A HA -0.142 4.178 4.320 0.000 0.000 0.218 98 A C 2.115 179.613 177.584 -0.143 0.000 1.169 98 A CA 1.688 53.665 52.037 -0.101 0.000 0.635 98 A CB -0.732 18.168 19.000 -0.167 0.000 0.810 98 A HN 0.538 nan 8.150 nan 0.000 0.445 99 T N -3.203 111.242 114.554 -0.182 0.000 3.160 99 T HA 0.101 4.451 4.350 0.000 0.000 0.257 99 T C 0.689 175.351 174.700 -0.065 0.000 1.147 99 T CA 0.770 62.766 62.100 -0.174 0.000 1.064 99 T CB -0.379 68.357 68.868 -0.220 0.000 0.949 99 T HN 0.418 nan 8.240 nan 0.000 0.526 100 K N 1.371 121.760 120.400 -0.018 0.000 2.975 100 K HA -0.144 4.176 4.320 0.000 0.000 0.257 100 K C 0.449 177.074 176.600 0.043 0.000 1.005 100 K CA 1.204 57.502 56.287 0.018 0.000 0.738 100 K CB -2.412 30.090 32.500 0.002 0.000 1.236 100 K HN 0.771 nan 8.250 nan 0.000 0.483 101 T N -2.814 111.787 114.554 0.078 0.000 3.285 101 T HA 0.442 4.792 4.350 0.000 0.000 0.232 101 T C 1.115 175.924 174.700 0.182 0.000 0.973 101 T CA -0.189 61.970 62.100 0.098 0.000 1.023 101 T CB 0.602 69.486 68.868 0.026 0.000 1.158 101 T HN 0.623 nan 8.240 nan 0.000 0.590 102 G N 0.294 109.172 108.800 0.129 0.000 2.225 102 G HA2 -0.370 3.590 3.960 0.000 0.000 0.267 102 G HA3 -0.370 3.590 3.960 0.000 0.000 0.267 102 G C 1.341 176.320 174.900 0.132 0.000 1.024 102 G CA 0.084 45.252 45.100 0.113 0.000 0.784 102 G HN 0.812 nan 8.290 nan 0.000 0.507 103 C N 0.281 119.692 119.300 0.184 0.000 2.396 103 C HA 0.114 4.574 4.460 0.000 0.000 0.279 103 C C 2.597 177.606 174.990 0.032 0.000 1.229 103 C CA 1.389 60.501 59.018 0.156 0.000 1.801 103 C CB -1.265 26.594 27.740 0.198 0.000 2.050 103 C HN 1.773 nan 8.230 nan 0.000 0.491 104 G N 3.335 112.161 108.800 0.044 0.000 2.193 104 G HA2 0.160 4.120 3.960 0.000 0.000 0.275 104 G HA3 0.160 4.120 3.960 0.000 0.000 0.275 104 G C -1.650 173.258 174.900 0.014 0.000 0.882 104 G CA -0.182 44.935 45.100 0.029 0.000 1.135 104 G HN 0.718 nan 8.290 nan 0.000 0.349 105 P HA -0.067 nan 4.420 nan 0.000 0.250 105 P C 1.427 178.747 177.300 0.033 0.000 1.161 105 P CA -0.090 63.014 63.100 0.006 0.000 0.863 105 P CB 0.474 32.183 31.700 0.015 0.000 0.827 106 I N 3.944 124.532 120.570 0.030 0.000 2.161 106 I HA -0.364 3.806 4.170 0.000 0.000 0.246 106 I C 1.204 177.391 176.117 0.118 0.000 1.048 106 I CA 2.002 63.347 61.300 0.074 0.000 1.314 106 I CB -0.750 37.271 38.000 0.036 0.000 1.014 106 I HN 0.429 nan 8.210 nan 0.000 0.418 107 V N -1.397 118.566 119.914 0.081 0.000 5.998 107 V HA -0.247 3.873 4.120 0.000 0.000 0.253 107 V C 0.879 177.043 176.094 0.117 0.000 0.630 107 V CA 0.561 62.916 62.300 0.092 0.000 0.750 107 V CB -2.134 29.739 31.823 0.083 0.000 0.744 107 V HN 0.355 nan 8.190 nan 0.000 0.481 108 L N 3.588 124.826 121.223 0.026 0.000 2.103 108 L HA -0.199 4.141 4.340 0.000 0.000 0.215 108 L C 2.802 179.687 176.870 0.026 0.000 1.080 108 L CA 3.096 57.895 54.840 -0.068 0.000 0.764 108 L CB -0.396 41.599 42.059 -0.107 0.000 0.890 108 L HN 1.241 nan 8.230 nan 0.000 0.435 109 S N -2.391 113.336 115.700 0.044 0.000 2.392 109 S HA -0.264 4.206 4.470 0.000 0.000 0.232 109 S C 1.980 176.621 174.600 0.068 0.000 1.041 109 S CA 1.608 59.835 58.200 0.044 0.000 1.026 109 S CB -0.943 62.283 63.200 0.044 0.000 0.845 109 S HN 0.535 nan 8.310 nan 0.000 0.465 110 S N 1.432 117.210 115.700 0.129 0.000 2.402 110 S HA 0.092 4.562 4.470 0.000 0.000 0.229 110 S C 1.351 176.017 174.600 0.110 0.000 1.021 110 S CA 1.160 59.423 58.200 0.106 0.000 0.974 110 S CB -0.534 62.724 63.200 0.095 0.000 0.800 110 S HN 0.583 nan 8.310 nan 0.000 0.484 111 F N 2.247 122.148 119.950 -0.081 0.000 2.206 111 F HA 0.010 4.537 4.527 0.000 0.000 0.298 111 F C 1.988 177.642 175.800 -0.243 0.000 1.090 111 F CA 0.650 58.578 58.000 -0.120 0.000 1.323 111 F CB -1.530 37.416 39.000 -0.089 0.000 1.028 111 F HN 0.081 nan 8.300 nan 0.000 0.492 112 T N 0.357 114.891 114.554 -0.033 0.000 3.738 112 T HA 0.160 4.510 4.350 0.000 0.000 0.231 112 T C 0.219 174.767 174.700 -0.252 0.000 0.967 112 T CA -0.343 61.639 62.100 -0.195 0.000 1.227 112 T CB -1.360 67.432 68.868 -0.126 0.000 1.136 112 T HN 0.140 nan 8.240 nan 0.000 0.807 113 T N 0.652 114.889 114.554 -0.529 0.000 2.928 113 T HA 0.525 4.875 4.350 0.000 0.000 0.284 113 T C 0.597 175.173 174.700 -0.207 0.000 1.008 113 T CA -0.994 60.860 62.100 -0.410 0.000 1.057 113 T CB 1.156 69.789 68.868 -0.393 0.000 1.018 113 T HN 0.645 nan 8.240 nan 0.000 0.493 114 T N -0.199 114.408 114.554 0.088 0.000 2.867 114 T HA 0.309 4.659 4.350 0.000 0.000 0.297 114 T C 0.083 175.017 174.700 0.390 0.000 0.989 114 T CA -0.495 61.723 62.100 0.197 0.000 1.159 114 T CB 0.270 69.228 68.868 0.151 0.000 0.928 114 T HN 0.718 nan 8.240 nan 0.000 0.538 115 T N 2.338 117.120 114.554 0.379 0.000 2.807 115 T HA 0.547 4.897 4.350 0.000 0.000 0.279 115 T C -0.843 173.990 174.700 0.221 0.000 0.993 115 T CA -0.613 61.684 62.100 0.328 0.000 0.970 115 T CB 1.163 70.260 68.868 0.381 0.000 0.950 115 T HN 0.770 nan 8.240 nan 0.000 0.441 116 S N 2.934 118.723 115.700 0.149 0.000 2.779 116 S HA 0.789 5.259 4.470 0.000 0.000 0.293 116 S C 0.071 174.716 174.600 0.075 0.000 1.150 116 S CA 0.352 58.612 58.200 0.100 0.000 1.057 116 S CB 0.398 63.645 63.200 0.078 0.000 1.021 116 S HN 1.274 nan 8.310 nan 0.000 0.485 117 G N 3.494 112.317 108.800 0.038 0.000 2.534 117 G HA2 0.164 4.124 3.960 0.000 0.000 0.142 117 G HA3 0.164 4.124 3.960 0.000 0.000 0.142 117 G C -1.967 172.852 174.900 -0.135 0.000 1.178 117 G CA -0.615 44.475 45.100 -0.016 0.000 1.037 117 G HN 0.513 nan 8.290 nan 0.000 0.474 118 Y N 0.322 120.712 120.300 0.151 0.000 2.304 118 Y HA 0.537 5.087 4.550 0.000 0.000 0.328 118 Y C 0.522 176.573 175.900 0.252 0.000 1.123 118 Y CA -0.393 57.795 58.100 0.146 0.000 1.218 118 Y CB 1.946 40.453 38.460 0.079 0.000 1.207 118 Y HN 0.259 nan 8.280 nan 0.000 0.495 119 V N 2.996 123.065 119.914 0.258 0.000 2.334 119 V HA 0.866 4.986 4.120 0.000 0.000 0.281 119 V C 0.198 176.428 176.094 0.226 0.000 1.016 119 V CA -0.507 61.955 62.300 0.270 0.000 0.832 119 V CB 0.724 32.657 31.823 0.184 0.000 0.999 119 V HN 0.938 nan 8.190 nan 0.000 0.439 120 G N 2.360 111.366 108.800 0.342 0.000 2.616 120 G HA2 0.573 4.533 3.960 0.000 0.000 0.294 120 G HA3 0.573 4.533 3.960 0.000 0.000 0.294 120 G C 0.339 175.473 174.900 0.389 0.000 1.489 120 G CA 0.126 45.368 45.100 0.236 0.000 0.836 120 G HN 0.768 nan 8.290 nan 0.000 0.527 121 A N 0.198 123.157 122.820 0.231 0.000 1.884 121 A HA 0.231 4.551 4.320 0.000 0.000 0.219 121 A C 1.785 179.538 177.584 0.282 0.000 1.197 121 A CA 2.711 54.885 52.037 0.228 0.000 0.637 121 A CB -0.971 18.109 19.000 0.134 0.000 0.827 121 A HN 2.003 nan 8.150 nan 0.000 0.450 122 T N -5.203 109.448 114.554 0.162 0.000 2.918 122 T HA 0.678 5.028 4.350 0.000 0.000 0.286 122 T C 1.012 175.585 174.700 -0.213 0.000 1.026 122 T CA -0.053 62.112 62.100 0.108 0.000 1.031 122 T CB 1.693 70.586 68.868 0.043 0.000 1.046 122 T HN 0.774 nan 8.240 nan 0.000 0.479 123 A N 2.411 124.997 122.820 -0.389 0.000 1.884 123 A HA 0.032 4.352 4.320 0.000 0.000 0.219 123 A C 2.433 179.725 177.584 -0.486 0.000 1.197 123 A CA 2.676 54.229 52.037 -0.805 0.000 0.637 123 A CB -1.967 16.801 19.000 -0.387 0.000 0.827 123 A HN 1.445 nan 8.150 nan 0.000 0.450 124 G N 0.920 109.571 108.800 -0.248 0.000 2.859 124 G HA2 -0.511 3.449 3.960 0.000 0.000 0.236 124 G HA3 -0.511 3.449 3.960 0.000 0.000 0.236 124 G C 1.058 175.859 174.900 -0.165 0.000 1.207 124 G CA 2.323 47.324 45.100 -0.165 0.000 0.769 124 G HN 0.804 nan 8.290 nan 0.000 0.674 125 D N 0.875 121.197 120.400 -0.131 0.000 2.149 125 D HA 0.151 4.791 4.640 0.000 0.000 0.198 125 D C 2.407 178.637 176.300 -0.118 0.000 0.990 125 D CA 1.940 55.883 54.000 -0.094 0.000 0.839 125 D CB -0.682 40.098 40.800 -0.033 0.000 0.948 125 D HN 0.496 nan 8.370 nan 0.000 0.460 126 A N 0.402 123.074 122.820 -0.247 0.000 2.015 126 A HA -0.002 4.318 4.320 0.000 0.000 0.219 126 A C 2.325 179.780 177.584 -0.215 0.000 1.163 126 A CA 0.958 52.819 52.037 -0.293 0.000 0.646 126 A CB -0.885 17.590 19.000 -0.874 0.000 0.806 126 A HN 0.331 nan 8.150 nan 0.000 0.448 127 L N -0.400 120.634 121.223 -0.315 0.000 2.081 127 L HA -0.265 4.075 4.340 0.000 0.000 0.212 127 L C 1.848 178.692 176.870 -0.043 0.000 1.080 127 L CA 1.837 56.523 54.840 -0.258 0.000 0.754 127 L CB -0.801 41.115 42.059 -0.238 0.000 0.893 127 L HN 0.289 nan 8.230 nan 0.000 0.433 128 D N -0.855 119.537 120.400 -0.013 0.000 2.224 128 D HA -0.080 4.560 4.640 0.000 0.000 0.205 128 D C 0.716 177.059 176.300 0.072 0.000 0.965 128 D CA 0.760 54.779 54.000 0.031 0.000 0.852 128 D CB -0.115 40.681 40.800 -0.007 0.000 0.947 128 D HN 0.218 nan 8.370 nan 0.000 0.494 129 N N 0.343 119.106 118.700 0.104 0.000 2.483 129 N HA 0.280 5.020 4.740 0.000 0.000 0.267 129 N C -2.873 172.651 175.510 0.022 0.000 0.998 129 N CA -1.816 51.268 53.050 0.055 0.000 0.918 129 N CB 1.865 40.373 38.487 0.035 0.000 1.215 129 N HN -0.219 nan 8.380 nan 0.000 0.500 130 P HA 0.293 nan 4.420 nan 0.000 0.307 130 P C -1.300 175.857 177.300 -0.239 0.000 1.412 130 P CA -0.659 62.168 63.100 -0.455 0.000 0.985 130 P CB 2.120 33.303 31.700 -0.863 0.000 1.098 131 V N 3.140 122.947 119.914 -0.177 0.000 2.305 131 V HA 0.231 4.351 4.120 0.000 0.000 0.275 131 V C 0.593 176.645 176.094 -0.070 0.000 1.020 131 V CA -0.367 61.865 62.300 -0.113 0.000 0.811 131 V CB 1.106 32.861 31.823 -0.112 0.000 1.031 131 V HN 0.647 nan 8.190 nan 0.000 0.439 132 T N 1.422 115.931 114.554 -0.074 0.000 2.851 132 T HA 0.262 4.612 4.350 0.000 0.000 0.298 132 T C 0.524 175.230 174.700 0.009 0.000 0.977 132 T CA -0.149 61.933 62.100 -0.030 0.000 1.126 132 T CB 0.065 68.909 68.868 -0.040 0.000 0.916 132 T HN 0.747 nan 8.240 nan 0.000 0.529 133 N N 1.572 120.303 118.700 0.053 0.000 2.650 133 N HA -0.143 4.597 4.740 0.000 0.000 0.272 133 N C 0.602 176.184 175.510 0.120 0.000 1.058 133 N CA 0.759 53.862 53.050 0.088 0.000 0.765 133 N CB -1.005 37.522 38.487 0.067 0.000 0.902 133 N HN 1.009 nan 8.380 nan 0.000 0.551 134 G N -0.319 108.603 108.800 0.203 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 -0.217 174.897 174.900 0.358 0.000 1.429 134 G CA 0.140 45.470 45.100 0.383 0.000 1.059 134 G HN 0.836 nan 8.290 nan 0.000 0.581 135 V N -2.246 117.912 119.914 0.408 0.000 2.932 135 V HA 0.782 4.902 4.120 0.000 0.000 0.307 135 V C -0.891 175.082 176.094 -0.201 0.000 1.147 135 V CA -1.147 61.165 62.300 0.021 0.000 0.951 135 V CB 1.147 32.908 31.823 -0.104 0.000 1.031 135 V HN 1.030 nan 8.190 nan 0.000 0.426 136 F N 3.083 122.975 119.950 -0.096 0.000 2.594 136 F HA 0.943 5.470 4.527 0.000 0.000 0.335 136 F C -0.884 174.905 175.800 -0.017 0.000 1.058 136 F CA -1.544 56.419 58.000 -0.062 0.000 0.981 136 F CB 1.850 40.885 39.000 0.059 0.000 1.289 136 F HN 0.696 nan 8.300 nan 0.000 0.490 137 I N 1.492 122.066 120.570 0.007 0.000 2.686 137 I HA 0.432 4.602 4.170 0.000 0.000 0.295 137 I C -0.944 175.315 176.117 0.236 0.000 1.114 137 I CA -0.570 60.724 61.300 -0.010 0.000 1.038 137 I CB 2.133 40.080 38.000 -0.089 0.000 1.238 137 I HN 0.879 nan 8.210 nan 0.000 0.420 138 S N 3.325 119.204 115.700 0.299 0.000 2.554 138 S HA 0.215 4.685 4.470 0.000 0.000 0.278 138 S C 1.352 175.831 174.600 -0.202 0.000 1.242 138 S CA 0.200 58.457 58.200 0.096 0.000 1.051 138 S CB 1.274 64.784 63.200 0.518 0.000 0.986 138 S HN 0.849 nan 8.310 nan 0.000 0.502 139 T N 3.161 117.387 114.554 -0.547 0.000 2.620 139 T HA -0.212 4.138 4.350 0.000 0.000 0.267 139 T C 1.788 176.470 174.700 -0.031 0.000 1.044 139 T CA 2.226 64.178 62.100 -0.245 0.000 1.161 139 T CB -1.341 67.464 68.868 -0.106 0.000 0.862 139 T HN 0.514 nan 8.240 nan 0.000 0.438 140 V N 2.274 122.226 119.914 0.064 0.000 2.231 140 V HA -0.298 3.822 4.120 0.000 0.000 0.248 140 V C 3.024 179.187 176.094 0.115 0.000 1.054 140 V CA 2.426 64.787 62.300 0.101 0.000 1.015 140 V CB -1.183 30.728 31.823 0.147 0.000 0.638 140 V HN 0.554 nan 8.190 nan 0.000 0.444 141 Q N -0.076 119.820 119.800 0.159 0.000 2.030 141 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 141 Q C 2.301 178.485 176.000 0.306 0.000 0.986 141 Q CA 2.350 58.315 55.803 0.268 0.000 0.843 141 Q CB -0.473 28.455 28.738 0.317 0.000 0.904 141 Q HN 0.864 nan 8.270 nan 0.000 0.420 142 I N -1.910 118.733 120.570 0.121 0.000 2.264 142 I HA -0.288 3.882 4.170 0.000 0.000 0.248 142 I C 2.462 178.578 176.117 -0.001 0.000 1.111 142 I CA 1.000 62.304 61.300 0.006 0.000 1.382 142 I CB -0.557 37.415 38.000 -0.046 0.000 1.060 142 I HN 0.198 nan 8.210 nan 0.000 0.418 143 M N 2.414 122.028 119.600 0.023 0.000 2.110 143 M HA -0.294 4.186 4.480 0.000 0.000 0.257 143 M C 2.003 178.323 176.300 0.033 0.000 1.071 143 M CA 2.439 57.750 55.300 0.019 0.000 1.096 143 M CB -1.337 31.282 32.600 0.031 0.000 1.300 143 M HN 0.422 nan 8.290 nan 0.000 0.411 144 N N -0.152 118.602 118.700 0.090 0.000 2.188 144 N HA -0.143 4.597 4.740 0.000 0.000 0.184 144 N C 1.567 177.160 175.510 0.140 0.000 1.018 144 N CA 1.117 54.236 53.050 0.116 0.000 0.858 144 N CB -0.224 38.349 38.487 0.143 0.000 0.989 144 N HN 0.215 nan 8.380 nan 0.000 0.426 145 L N 1.553 122.874 121.223 0.165 0.000 1.971 145 L HA -0.259 4.081 4.340 0.000 0.000 0.215 145 L C 1.985 178.761 176.870 -0.156 0.000 1.072 145 L CA 1.806 56.592 54.840 -0.090 0.000 0.758 145 L CB -0.759 40.999 42.059 -0.501 0.000 0.889 145 L HN 0.219 nan 8.230 nan 0.000 0.433 146 Q N -0.729 118.974 119.800 -0.161 0.000 2.077 146 Q HA -0.309 4.031 4.340 0.000 0.000 0.206 146 Q C 2.336 178.270 176.000 -0.110 0.000 0.989 146 Q CA 2.168 57.869 55.803 -0.170 0.000 0.853 146 Q CB -0.541 28.105 28.738 -0.155 0.000 0.907 146 Q HN 0.523 nan 8.270 nan 0.000 0.418 147 R N 0.533 120.999 120.500 -0.057 0.000 2.133 147 R HA -0.221 4.119 4.340 0.000 0.000 0.245 147 R C 2.138 178.419 176.300 -0.031 0.000 1.137 147 R CA 2.379 58.461 56.100 -0.030 0.000 0.947 147 R CB -0.643 29.657 30.300 -0.001 0.000 0.865 147 R HN 0.393 nan 8.270 nan 0.000 0.437 148 T N 0.937 115.479 114.554 -0.020 0.000 2.635 148 T HA -0.171 4.179 4.350 0.000 0.000 0.267 148 T C 2.099 176.767 174.700 -0.054 0.000 1.040 148 T CA 1.807 63.896 62.100 -0.019 0.000 1.156 148 T CB -0.470 68.403 68.868 0.010 0.000 0.863 148 T HN 0.267 nan 8.240 nan 0.000 0.430 149 I N 1.853 122.362 120.570 -0.101 0.000 2.208 149 I HA -0.202 3.968 4.170 0.000 0.000 0.245 149 I C 3.106 179.161 176.117 -0.103 0.000 1.097 149 I CA 1.240 62.463 61.300 -0.128 0.000 1.363 149 I CB -0.609 37.269 38.000 -0.204 0.000 1.051 149 I HN 0.288 nan 8.210 nan 0.000 0.413 150 A N 0.676 123.438 122.820 -0.096 0.000 1.902 150 A HA -0.170 4.150 4.320 0.000 0.000 0.217 150 A C 2.532 180.079 177.584 -0.062 0.000 1.181 150 A CA 1.882 53.872 52.037 -0.078 0.000 0.623 150 A CB -0.753 18.204 19.000 -0.071 0.000 0.818 150 A HN 0.447 nan 8.150 nan 0.000 0.443 151 A N -0.368 122.424 122.820 -0.047 0.000 1.930 151 A HA -0.117 4.203 4.320 0.000 0.000 0.217 151 A C 2.230 179.801 177.584 -0.023 0.000 1.175 151 A CA 1.421 53.440 52.037 -0.032 0.000 0.627 151 A CB -0.424 18.570 19.000 -0.010 0.000 0.815 151 A HN 0.544 nan 8.150 nan 0.000 0.443 152 R N -1.069 119.432 120.500 0.002 0.000 2.083 152 R HA -0.114 4.226 4.340 0.000 0.000 0.237 152 R C 2.289 178.584 176.300 -0.007 0.000 1.137 152 R CA 1.730 57.876 56.100 0.077 0.000 0.951 152 R CB -0.380 29.903 30.300 -0.027 0.000 0.851 152 R HN 0.427 nan 8.270 nan 0.000 0.434 153 M N 0.576 120.132 119.600 -0.072 0.000 2.080 153 M HA -0.177 4.303 4.480 0.000 0.000 0.260 153 M C 2.078 178.276 176.300 -0.171 0.000 1.068 153 M CA 1.806 57.037 55.300 -0.115 0.000 1.109 153 M CB -0.840 31.716 32.600 -0.073 0.000 1.342 153 M HN 0.139 nan 8.290 nan 0.000 0.405 154 R N -0.183 120.237 120.500 -0.132 0.000 2.237 154 R HA -0.118 4.222 4.340 0.000 0.000 0.219 154 R C 1.562 177.732 176.300 -0.216 0.000 1.080 154 R CA 1.294 57.306 56.100 -0.146 0.000 0.995 154 R CB -0.535 29.713 30.300 -0.087 0.000 0.875 154 R HN 0.380 nan 8.270 nan 0.000 0.462 155 D N 0.426 120.651 120.400 -0.291 0.000 2.234 155 D HA -0.084 4.556 4.640 0.000 0.000 0.205 155 D C 1.539 177.204 176.300 -1.059 0.000 0.962 155 D CA 0.420 54.119 54.000 -0.502 0.000 0.855 155 D CB 0.310 40.837 40.800 -0.456 0.000 0.951 155 D HN 0.041 nan 8.370 nan 0.000 0.500 156 V N -0.294 118.976 119.914 -1.073 0.000 3.406 156 V HA 0.211 4.331 4.120 0.000 0.000 0.263 156 V C 2.042 177.710 176.094 -0.709 0.000 1.172 156 V CA 1.105 62.531 62.300 -1.457 0.000 1.140 156 V CB -0.242 30.765 31.823 -1.360 0.000 0.784 156 V HN 0.278 nan 8.190 nan 0.000 0.467 157 A N -0.011 122.574 122.820 -0.391 0.000 2.032 157 A HA -0.170 4.150 4.320 0.000 0.000 0.221 157 A C 2.054 179.646 177.584 0.014 0.000 1.165 157 A CA 2.046 54.004 52.037 -0.132 0.000 0.645 157 A CB -0.400 18.543 19.000 -0.094 0.000 0.807 157 A HN 0.578 nan 8.150 nan 0.000 0.453 158 L N -2.475 118.784 121.223 0.061 0.000 2.131 158 L HA -0.130 4.210 4.340 0.000 0.000 0.206 158 L C 2.557 179.767 176.870 0.567 0.000 1.087 158 L CA 0.623 55.653 54.840 0.315 0.000 0.767 158 L CB -0.483 41.788 42.059 0.352 0.000 0.917 158 L HN 0.560 nan 8.230 nan 0.000 0.441 159 W N 0.784 122.186 121.300 0.170 0.000 2.379 159 W HA -0.110 4.550 4.660 0.000 0.000 0.307 159 W C 2.672 179.448 176.519 0.428 0.000 1.200 159 W CA 0.234 57.747 57.345 0.280 0.000 1.297 159 W CB -1.241 28.147 29.460 -0.119 0.000 1.140 159 W HN 0.168 nan 8.180 nan 0.000 0.507 160 Q N 0.474 120.519 119.800 0.409 0.000 2.062 160 Q HA -0.240 4.100 4.340 0.000 0.000 0.209 160 Q C 2.306 178.528 176.000 0.369 0.000 0.996 160 Q CA 1.869 57.922 55.803 0.416 0.000 0.859 160 Q CB -0.560 28.336 28.738 0.264 0.000 0.920 160 Q HN 0.045 nan 8.270 nan 0.000 0.415 161 K N 0.467 121.034 120.400 0.278 0.000 2.020 161 K HA -0.218 4.102 4.320 0.000 0.000 0.212 161 K C 1.878 178.575 176.600 0.161 0.000 1.050 161 K CA 1.923 58.311 56.287 0.168 0.000 0.929 161 K CB -0.382 32.182 32.500 0.105 0.000 0.714 161 K HN 0.394 nan 8.250 nan 0.000 0.443 162 H N 0.113 119.306 119.070 0.206 0.000 2.319 162 H HA -0.156 4.400 4.556 0.000 0.000 0.299 162 H C 1.930 177.307 175.328 0.081 0.000 1.092 162 H CA 1.762 57.873 56.048 0.105 0.000 1.302 162 H CB -0.134 29.682 29.762 0.090 0.000 1.373 162 H HN 0.102 nan 8.280 nan 0.000 0.497 163 L N 0.931 122.419 121.223 0.441 0.000 2.013 163 L HA -0.234 4.106 4.340 0.000 0.000 0.212 163 L C 1.446 178.490 176.870 0.290 0.000 1.073 163 L CA 1.943 57.046 54.840 0.439 0.000 0.753 163 L CB -0.470 41.992 42.059 0.672 0.000 0.890 163 L HN 0.222 nan 8.230 nan 0.000 0.432 164 D N -0.734 119.821 120.400 0.258 0.000 2.133 164 D HA -0.228 4.412 4.640 0.000 0.000 0.195 164 D C 2.262 178.621 176.300 0.098 0.000 0.997 164 D CA 2.116 56.212 54.000 0.161 0.000 0.840 164 D CB -0.666 40.226 40.800 0.154 0.000 0.947 164 D HN 0.646 nan 8.370 nan 0.000 0.452 165 T N -0.962 113.643 114.554 0.085 0.000 2.708 165 T HA -0.079 4.271 4.350 0.000 0.000 0.266 165 T C 2.118 176.851 174.700 0.056 0.000 1.037 165 T CA 1.871 63.998 62.100 0.045 0.000 1.146 165 T CB -0.541 68.329 68.868 0.003 0.000 0.865 165 T HN 0.118 nan 8.240 nan 0.000 0.435 166 A N 2.752 125.615 122.820 0.070 0.000 1.873 166 A HA -0.071 4.249 4.320 0.000 0.000 0.218 166 A C 2.548 180.190 177.584 0.097 0.000 1.193 166 A CA 2.338 54.427 52.037 0.085 0.000 0.629 166 A CB -0.870 18.186 19.000 0.093 0.000 0.826 166 A HN 0.505 nan 8.150 nan 0.000 0.447 167 M N 0.323 119.965 119.600 0.071 0.000 2.446 167 M HA -0.088 4.392 4.480 0.000 0.000 0.263 167 M C 2.014 178.324 176.300 0.017 0.000 1.066 167 M CA 1.970 57.271 55.300 0.002 0.000 1.087 167 M CB -1.739 30.800 32.600 -0.102 0.000 1.406 167 M HN 0.759 nan 8.290 nan 0.000 0.459 168 T N -3.307 111.274 114.554 0.045 0.000 3.034 168 T HA 0.063 4.413 4.350 0.000 0.000 0.248 168 T C 1.722 176.469 174.700 0.078 0.000 1.040 168 T CA 0.002 62.135 62.100 0.055 0.000 1.107 168 T CB -0.194 68.699 68.868 0.040 0.000 0.932 168 T HN 0.145 nan 8.240 nan 0.000 0.474 169 M N 1.380 121.025 119.600 0.075 0.000 2.337 169 M HA 0.160 4.640 4.480 0.000 0.000 0.261 169 M C -0.039 176.325 176.300 0.106 0.000 1.067 169 M CA 1.236 56.582 55.300 0.078 0.000 1.074 169 M CB -0.929 31.705 32.600 0.056 0.000 1.395 169 M HN 0.346 nan 8.290 nan 0.000 0.431 170 L N 0.708 122.016 121.223 0.142 0.000 2.448 170 L HA 0.151 4.491 4.340 0.000 0.000 0.257 170 L C 0.079 177.097 176.870 0.246 0.000 1.504 170 L CA -0.491 54.480 54.840 0.218 0.000 0.852 170 L CB 0.825 42.954 42.059 0.117 0.000 1.051 170 L HN -0.155 nan 8.230 nan 0.000 0.518 171 T N 3.885 118.572 114.554 0.222 0.000 2.576 171 T HA 0.018 4.368 4.350 0.000 0.000 0.251 171 T C -1.333 173.448 174.700 0.136 0.000 1.050 171 T CA -0.303 61.886 62.100 0.148 0.000 1.286 171 T CB 0.278 69.202 68.868 0.093 0.000 1.028 171 T HN 0.274 nan 8.240 nan 0.000 0.509 172 P HA 0.180 nan 4.420 nan 0.000 0.286 172 P C -0.775 176.385 177.300 -0.235 0.000 1.577 172 P CA -0.073 62.891 63.100 -0.227 0.000 0.805 172 P CB -0.216 31.259 31.700 -0.375 0.000 1.706 173 D N 0.694 121.044 120.400 -0.082 0.000 2.464 173 D HA 0.272 4.912 4.640 0.000 0.000 0.243 173 D C -0.213 176.071 176.300 -0.026 0.000 1.104 173 D CA -0.160 53.797 54.000 -0.071 0.000 0.883 173 D CB 0.779 41.553 40.800 -0.042 0.000 1.050 173 D HN -0.012 nan 8.370 nan 0.000 0.524 174 I N 2.698 123.233 120.570 -0.059 0.000 2.428 174 I HA 0.058 4.228 4.170 0.000 0.000 0.279 174 I C 1.452 177.552 176.117 -0.030 0.000 1.040 174 I CA -0.264 61.025 61.300 -0.020 0.000 1.171 174 I CB 1.011 39.006 38.000 -0.008 0.000 1.312 174 I HN 0.300 nan 8.210 nan 0.000 0.470 175 S N 3.953 119.645 115.700 -0.012 0.000 2.469 175 S HA 0.082 4.552 4.470 0.000 0.000 0.238 175 S C 0.884 175.482 174.600 -0.004 0.000 0.998 175 S CA 0.397 58.593 58.200 -0.007 0.000 0.957 175 S CB 0.111 63.310 63.200 -0.001 0.000 0.764 175 S HN 0.673 nan 8.310 nan 0.000 0.514 176 A N -0.114 122.703 122.820 -0.004 0.000 2.530 176 A HA 0.702 5.022 4.320 0.000 0.000 0.279 176 A C 0.711 178.295 177.584 -0.001 0.000 1.109 176 A CA -0.206 51.830 52.037 -0.002 0.000 0.763 176 A CB 0.372 19.373 19.000 0.001 0.000 1.257 176 A HN 1.371 nan 8.150 nan 0.000 0.424 177 G N 1.520 110.316 108.800 -0.006 0.000 2.650 177 G HA2 0.227 4.187 3.960 0.000 0.000 0.264 177 G HA3 0.227 4.187 3.960 0.000 0.000 0.264 177 G C 0.229 175.119 174.900 -0.017 0.000 1.263 177 G CA 0.350 45.446 45.100 -0.007 0.000 0.960 177 G HN 2.664 nan 8.290 nan 0.000 0.548 178 S N -0.881 114.815 115.700 -0.007 0.000 2.563 178 S HA 0.875 5.345 4.470 0.000 0.000 0.279 178 S C -0.566 174.046 174.600 0.020 0.000 1.155 178 S CA 0.640 58.830 58.200 -0.017 0.000 0.928 178 S CB 1.391 64.580 63.200 -0.018 0.000 1.107 178 S HN 2.469 nan 8.310 nan 0.000 0.462 179 A N 1.392 124.218 122.820 0.009 0.000 2.380 179 A HA 0.971 5.291 4.320 0.000 0.000 0.315 179 A C -0.298 177.301 177.584 0.024 0.000 1.101 179 A CA -0.869 51.229 52.037 0.101 0.000 0.771 179 A CB 1.991 21.171 19.000 0.299 0.000 1.287 179 A HN 1.218 nan 8.150 nan 0.000 0.436 180 S N -0.756 115.025 115.700 0.135 0.000 2.543 180 S HA 0.654 5.124 4.470 0.000 0.000 0.271 180 S C -1.377 173.343 174.600 0.200 0.000 1.148 180 S CA -0.267 58.013 58.200 0.132 0.000 0.914 180 S CB 1.254 64.493 63.200 0.064 0.000 1.096 180 S HN 1.808 nan 8.310 nan 0.000 0.471 181 C N 3.951 123.366 119.300 0.192 0.000 3.285 181 C HA 0.583 5.043 4.460 0.000 0.000 0.325 181 C C -0.840 174.098 174.990 -0.087 0.000 1.304 181 C CA -0.841 58.174 59.018 -0.005 0.000 1.319 181 C CB 1.222 28.828 27.740 -0.224 0.000 1.640 181 C HN 0.978 nan 8.230 nan 0.000 0.477 182 N N 2.301 120.955 118.700 -0.077 0.000 2.394 182 N HA -0.040 4.700 4.740 0.000 0.000 0.277 182 N C 0.828 176.319 175.510 -0.033 0.000 1.346 182 N CA 0.389 53.417 53.050 -0.037 0.000 0.910 182 N CB 0.111 38.568 38.487 -0.051 0.000 1.201 182 N HN 0.890 nan 8.380 nan 0.000 0.488 183 W N 3.751 124.958 121.300 -0.154 0.000 2.363 183 W HA -0.209 4.451 4.660 0.000 0.000 0.296 183 W C 1.628 178.064 176.519 -0.138 0.000 1.212 183 W CA 0.241 57.506 57.345 -0.135 0.000 1.260 183 W CB 0.252 29.747 29.460 0.058 0.000 1.131 183 W HN 0.590 nan 8.180 nan 0.000 0.530 184 K N -0.023 120.402 120.400 0.043 0.000 2.020 184 K HA -0.220 4.100 4.320 0.000 0.000 0.212 184 K C 1.996 178.457 176.600 -0.232 0.000 1.050 184 K CA 2.060 58.267 56.287 -0.133 0.000 0.929 184 K CB -0.849 31.578 32.500 -0.123 0.000 0.714 184 K HN -0.018 nan 8.250 nan 0.000 0.443 185 S N 1.612 117.176 115.700 -0.228 0.000 2.368 185 S HA -0.182 4.288 4.470 0.000 0.000 0.226 185 S C 2.061 176.528 174.600 -0.221 0.000 1.044 185 S CA 1.473 59.494 58.200 -0.298 0.000 1.062 185 S CB -0.434 62.638 63.200 -0.213 0.000 0.931 185 S HN 0.160 nan 8.310 nan 0.000 0.440 186 L N 1.076 122.213 121.223 -0.143 0.000 1.970 186 L HA -0.138 4.202 4.340 0.000 0.000 0.212 186 L C 2.359 179.223 176.870 -0.011 0.000 1.071 186 L CA 1.255 56.044 54.840 -0.084 0.000 0.751 186 L CB -0.782 41.158 42.059 -0.199 0.000 0.889 186 L HN 0.262 nan 8.230 nan 0.000 0.432 187 L N -0.383 120.802 121.223 -0.063 0.000 2.051 187 L HA -0.281 4.059 4.340 0.000 0.000 0.214 187 L C 2.791 179.600 176.870 -0.102 0.000 1.076 187 L CA 1.484 56.216 54.840 -0.179 0.000 0.758 187 L CB -0.897 40.920 42.059 -0.403 0.000 0.890 187 L HN 0.318 nan 8.230 nan 0.000 0.433 188 A N -0.961 121.767 122.820 -0.153 0.000 1.929 188 A HA -0.148 4.172 4.320 0.000 0.000 0.216 188 A C 2.234 179.929 177.584 0.186 0.000 1.176 188 A CA 0.938 52.942 52.037 -0.055 0.000 0.628 188 A CB -0.724 18.148 19.000 -0.213 0.000 0.816 188 A HN 0.368 nan 8.150 nan 0.000 0.444 189 F N 0.346 120.191 119.950 -0.176 0.000 2.186 189 F HA -0.141 4.386 4.527 0.000 0.000 0.299 189 F C 2.742 178.611 175.800 0.115 0.000 1.090 189 F CA 0.479 58.554 58.000 0.124 0.000 1.307 189 F CB 0.014 39.023 39.000 0.016 0.000 1.019 189 F HN 0.337 nan 8.300 nan 0.000 0.489 190 A N 0.505 123.442 122.820 0.194 0.000 1.869 190 A HA -0.307 4.013 4.320 0.000 0.000 0.218 190 A C 2.008 179.665 177.584 0.122 0.000 1.203 190 A CA 2.248 54.348 52.037 0.105 0.000 0.638 190 A CB -0.751 18.285 19.000 0.061 0.000 0.831 190 A HN 0.384 nan 8.150 nan 0.000 0.450 191 K N -1.165 119.311 120.400 0.126 0.000 2.432 191 K HA -0.067 4.253 4.320 0.000 0.000 0.196 191 K C 1.223 177.903 176.600 0.133 0.000 1.038 191 K CA 1.022 57.370 56.287 0.101 0.000 0.986 191 K CB -0.046 32.493 32.500 0.065 0.000 0.782 191 K HN 0.560 nan 8.250 nan 0.000 0.485 192 D N 0.179 120.719 120.400 0.233 0.000 2.305 192 D HA -0.024 4.616 4.640 0.000 0.000 0.206 192 D C 1.359 177.774 176.300 0.191 0.000 0.974 192 D CA 0.636 54.762 54.000 0.210 0.000 0.871 192 D CB 0.430 41.400 40.800 0.283 0.000 0.947 192 D HN -0.041 nan 8.370 nan 0.000 0.516 193 I N 0.154 120.856 120.570 0.220 0.000 3.300 193 I HA 0.144 4.314 4.170 0.000 0.000 0.279 193 I C 0.902 177.071 176.117 0.087 0.000 1.172 193 I CA 0.081 61.475 61.300 0.156 0.000 1.431 193 I CB -0.891 37.192 38.000 0.139 0.000 1.240 193 I HN -0.015 nan 8.210 nan 0.000 0.453 194 L N 3.130 124.395 121.223 0.070 0.000 2.514 194 L HA 0.057 4.397 4.340 0.000 0.000 0.280 194 L C -1.929 174.958 176.870 0.029 0.000 1.223 194 L CA -1.174 53.691 54.840 0.042 0.000 0.864 194 L CB -0.272 41.806 42.059 0.031 0.000 1.118 194 L HN -0.087 nan 8.230 nan 0.000 0.494 195 P HA 0.050 nan 4.420 nan 0.000 0.267 195 P C 0.679 177.987 177.300 0.013 0.000 1.209 195 P CA -0.109 63.003 63.100 0.021 0.000 0.763 195 P CB 0.664 32.378 31.700 0.024 0.000 0.816 196 L N 2.363 123.589 121.223 0.005 0.000 2.051 196 L HA -0.257 4.083 4.340 0.000 0.000 0.214 196 L C 1.653 178.516 176.870 -0.012 0.000 1.076 196 L CA 1.758 56.592 54.840 -0.009 0.000 0.758 196 L CB -0.617 41.436 42.059 -0.010 0.000 0.890 196 L HN 0.462 nan 8.230 nan 0.000 0.433 197 D N -0.421 119.986 120.400 0.011 0.000 2.351 197 D HA -0.091 4.549 4.640 0.000 0.000 0.216 197 D C 0.459 176.801 176.300 0.070 0.000 0.968 197 D CA 0.469 54.487 54.000 0.031 0.000 0.899 197 D CB -0.530 40.296 40.800 0.043 0.000 0.907 197 D HN 0.425 nan 8.370 nan 0.000 0.514 198 N N 0.685 119.431 118.700 0.076 0.000 2.454 198 N HA 0.001 4.741 4.740 0.000 0.000 0.254 198 N C 1.372 176.812 175.510 -0.116 0.000 1.228 198 N CA -0.042 53.084 53.050 0.126 0.000 0.900 198 N CB 0.803 39.349 38.487 0.099 0.000 1.089 198 N HN 0.011 nan 8.380 nan 0.000 0.449 199 L N 0.490 121.454 121.223 -0.432 0.000 2.191 199 L HA -0.215 4.125 4.340 0.000 0.000 0.212 199 L C 1.732 178.403 176.870 -0.332 0.000 1.103 199 L CA 0.717 55.284 54.840 -0.454 0.000 0.769 199 L CB -0.348 41.400 42.059 -0.517 0.000 0.908 199 L HN 0.711 nan 8.230 nan 0.000 0.438 200 C N -0.272 118.705 119.300 -0.537 0.000 2.413 200 C HA -0.149 4.311 4.460 0.000 0.000 0.277 200 C C 2.564 177.421 174.990 -0.223 0.000 1.265 200 C CA 0.342 59.042 59.018 -0.530 0.000 1.752 200 C CB -0.779 26.675 27.740 -0.477 0.000 1.998 200 C HN 0.414 nan 8.230 nan 0.000 0.489 201 L N 1.294 122.397 121.223 -0.199 0.000 2.313 201 L HA -0.044 4.296 4.340 0.000 0.000 0.214 201 L C 2.721 179.450 176.870 -0.235 0.000 1.119 201 L CA 1.964 56.706 54.840 -0.163 0.000 0.809 201 L CB -1.064 40.927 42.059 -0.113 0.000 0.933 201 L HN 0.502 nan 8.230 nan 0.000 0.449 202 T N -3.772 110.526 114.554 -0.427 0.000 2.851 202 T HA -0.162 4.188 4.350 0.000 0.000 0.262 202 T C 1.121 175.359 174.700 -0.770 0.000 1.043 202 T CA 0.988 62.644 62.100 -0.741 0.000 1.140 202 T CB -0.520 67.597 68.868 -1.252 0.000 0.872 202 T HN 0.284 nan 8.240 nan 0.000 0.446 203 Y N 1.803 122.159 120.300 0.093 0.000 2.833 203 Y HA 0.344 4.894 4.550 0.000 0.000 0.339 203 Y C -1.695 174.360 175.900 0.258 0.000 1.032 203 Y CA -2.732 55.464 58.100 0.160 0.000 1.450 203 Y CB 0.356 38.890 38.460 0.123 0.000 1.296 203 Y HN 0.238 nan 8.280 nan 0.000 0.535 204 P HA -0.229 nan 4.420 nan 0.000 0.215 204 P C 1.041 178.446 177.300 0.175 0.000 1.163 204 P CA 1.719 64.893 63.100 0.125 0.000 0.894 204 P CB 0.347 32.042 31.700 -0.009 0.000 0.791 205 N N -1.110 117.640 118.700 0.083 0.000 2.036 205 N HA -0.196 4.544 4.740 0.000 0.000 0.195 205 N C 1.748 177.295 175.510 0.062 0.000 1.037 205 N CA 1.408 54.468 53.050 0.016 0.000 0.855 205 N CB -0.329 38.125 38.487 -0.055 0.000 1.033 205 N HN 0.083 nan 8.380 nan 0.000 0.423 206 E N -0.038 120.214 120.200 0.087 0.000 2.031 206 E HA -0.173 4.177 4.350 0.000 0.000 0.193 206 E C 2.016 178.713 176.600 0.162 0.000 0.994 206 E CA 1.023 57.452 56.400 0.048 0.000 0.800 206 E CB -0.544 29.095 29.700 -0.103 0.000 0.752 206 E HN 0.461 nan 8.360 nan 0.000 0.447 207 F N -0.030 120.041 119.950 0.202 0.000 2.126 207 F HA -0.255 4.272 4.527 0.000 0.000 0.299 207 F C 2.499 178.473 175.800 0.290 0.000 1.096 207 F CA 1.283 59.443 58.000 0.267 0.000 1.255 207 F CB -0.420 38.724 39.000 0.240 0.000 0.997 207 F HN 0.078 nan 8.300 nan 0.000 0.479 208 Y N 0.885 121.382 120.300 0.328 0.000 2.128 208 Y HA -0.335 4.215 4.550 0.000 0.000 0.284 208 Y C 2.375 178.406 175.900 0.217 0.000 1.154 208 Y CA 2.063 60.312 58.100 0.248 0.000 1.149 208 Y CB -0.701 37.858 38.460 0.165 0.000 0.976 208 Y HN 0.032 nan 8.280 nan 0.000 0.505 209 N N -0.344 118.534 118.700 0.297 0.000 2.036 209 N HA -0.229 4.511 4.740 0.000 0.000 0.195 209 N C 1.686 177.072 175.510 -0.207 0.000 1.037 209 N CA 2.354 55.418 53.050 0.023 0.000 0.855 209 N CB -0.515 37.928 38.487 -0.074 0.000 1.033 209 N HN 0.232 nan 8.380 nan 0.000 0.423 210 V N 0.795 120.718 119.914 0.016 0.000 2.233 210 V HA -0.268 3.852 4.120 0.000 0.000 0.247 210 V C 2.427 178.515 176.094 -0.011 0.000 1.050 210 V CA 2.046 64.363 62.300 0.027 0.000 1.010 210 V CB -1.458 30.382 31.823 0.028 0.000 0.637 210 V HN 0.503 nan 8.190 nan 0.000 0.444 211 A N 0.146 123.055 122.820 0.148 0.000 1.896 211 A HA -0.302 4.018 4.320 0.000 0.000 0.220 211 A C 2.125 179.751 177.584 0.070 0.000 1.206 211 A CA 2.685 54.870 52.037 0.246 0.000 0.647 211 A CB -0.804 18.448 19.000 0.420 0.000 0.828 211 A HN 0.482 nan 8.150 nan 0.000 0.455 212 I N -0.800 119.735 120.570 -0.059 0.000 2.264 212 I HA -0.232 3.938 4.170 0.000 0.000 0.248 212 I C 2.221 178.314 176.117 -0.041 0.000 1.111 212 I CA 1.474 62.718 61.300 -0.094 0.000 1.382 212 I CB -0.467 37.443 38.000 -0.150 0.000 1.060 212 I HN 0.393 nan 8.210 nan 0.000 0.418 213 H N -0.659 118.361 119.070 -0.084 0.000 2.495 213 H HA 0.037 4.593 4.556 0.000 0.000 0.287 213 H C 2.302 177.487 175.328 -0.238 0.000 1.033 213 H CA 0.955 56.931 56.048 -0.121 0.000 1.307 213 H CB -0.052 29.641 29.762 -0.116 0.000 1.401 213 H HN 0.310 nan 8.280 nan 0.000 0.555 214 R N -0.305 120.005 120.500 -0.316 0.000 2.128 214 R HA 0.023 4.363 4.340 0.000 0.000 0.211 214 R C -0.131 175.775 176.300 -0.656 0.000 1.067 214 R CA 0.253 55.978 56.100 -0.625 0.000 1.010 214 R CB 0.467 30.218 30.300 -0.916 0.000 0.922 214 R HN 0.132 nan 8.270 nan 0.000 0.457 215 Y N 0.367 120.634 120.300 -0.055 0.000 2.700 215 Y HA 0.323 4.873 4.550 0.000 0.000 0.333 215 Y C -1.904 173.878 175.900 -0.198 0.000 1.036 215 Y CA -2.744 55.286 58.100 -0.116 0.000 1.287 215 Y CB 1.373 39.770 38.460 -0.105 0.000 1.132 215 Y HN 0.078 nan 8.280 nan 0.000 0.510 216 P HA -0.234 nan 4.420 nan 0.000 0.219 216 P C 1.448 178.385 177.300 -0.605 0.000 1.146 216 P CA 1.613 64.317 63.100 -0.659 0.000 0.808 216 P CB 0.314 31.616 31.700 -0.664 0.000 0.779 217 A N -1.353 121.282 122.820 -0.309 0.000 2.234 217 A HA -0.081 4.239 4.320 0.000 0.000 0.216 217 A C 0.858 178.258 177.584 -0.307 0.000 1.167 217 A CA 1.105 52.974 52.037 -0.279 0.000 0.698 217 A CB -0.994 17.853 19.000 -0.254 0.000 0.779 217 A HN 0.184 nan 8.150 nan 0.000 0.475 218 L N -1.064 120.029 121.223 -0.217 0.000 2.386 218 L HA 0.560 4.900 4.340 0.000 0.000 0.271 218 L C -0.650 176.216 176.870 -0.008 0.000 0.993 218 L CA -0.952 53.802 54.840 -0.144 0.000 0.819 218 L CB 2.142 44.178 42.059 -0.039 0.000 1.294 218 L HN -0.116 nan 8.230 nan 0.000 0.414 219 K N 3.100 123.571 120.400 0.118 0.000 2.259 219 K HA 0.530 4.850 4.320 0.000 0.000 0.249 219 K C -2.521 174.161 176.600 0.138 0.000 0.942 219 K CA -1.904 54.455 56.287 0.119 0.000 0.816 219 K CB 1.709 34.276 32.500 0.111 0.000 1.155 219 K HN 0.183 nan 8.250 nan 0.000 0.428 220 P HA -0.047 nan 4.420 nan 0.000 0.265 220 P C 0.558 177.822 177.300 -0.060 0.000 1.193 220 P CA 0.247 63.191 63.100 -0.259 0.000 0.765 220 P CB 0.756 31.781 31.700 -1.126 0.000 0.823 221 G N 4.246 113.094 108.800 0.078 0.000 4.033 221 G HA2 -0.334 3.626 3.960 0.000 0.000 0.243 221 G HA3 -0.334 3.626 3.960 0.000 0.000 0.243 221 G C 0.815 175.712 174.900 -0.004 0.000 0.867 221 G CA 1.539 46.643 45.100 0.007 0.000 0.718 221 G HN 0.780 nan 8.290 nan 0.000 1.461 222 N N 1.253 119.957 118.700 0.007 0.000 2.291 222 N HA 0.154 4.894 4.740 0.000 0.000 0.244 222 N C -1.074 174.451 175.510 0.025 0.000 1.216 222 N CA 0.015 53.073 53.050 0.013 0.000 0.879 222 N CB 0.637 39.132 38.487 0.014 0.000 1.167 222 N HN 0.318 nan 8.380 nan 0.000 0.515 223 P HA -0.099 nan 4.420 nan 0.000 0.216 223 P C -0.542 176.789 177.300 0.053 0.000 1.157 223 P CA 1.487 64.631 63.100 0.073 0.000 0.880 223 P CB 0.165 31.903 31.700 0.064 0.000 0.791 224 D N -1.084 119.330 120.400 0.023 0.000 2.420 224 D HA 0.127 4.767 4.640 0.000 0.000 0.255 224 D C 0.634 176.940 176.300 0.010 0.000 1.185 224 D CA -0.208 53.803 54.000 0.018 0.000 0.904 224 D CB 1.194 42.004 40.800 0.016 0.000 1.102 224 D HN -0.107 nan 8.370 nan 0.000 0.534 225 T N 1.273 115.834 114.554 0.012 0.000 2.848 225 T HA -0.208 4.142 4.350 0.000 0.000 0.269 225 T C 1.812 176.517 174.700 0.009 0.000 1.081 225 T CA 1.268 63.374 62.100 0.010 0.000 1.125 225 T CB 0.210 69.084 68.868 0.010 0.000 0.848 225 T HN 0.373 nan 8.240 nan 0.000 0.503 226 K N 0.480 120.885 120.400 0.008 0.000 2.032 226 K HA -0.100 4.220 4.320 0.000 0.000 0.218 226 K C 0.541 177.144 176.600 0.005 0.000 1.054 226 K CA 1.118 57.409 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 0.309 nan 8.250 nan 0.000 0.449 227 L N 0.497 121.722 121.223 0.004 0.000 2.490 227 L HA 0.224 4.564 4.340 0.000 0.000 0.256 227 L C -2.105 174.762 176.870 -0.005 0.000 1.089 227 L CA -1.192 53.648 54.840 -0.000 0.000 0.916 227 L CB 1.964 44.021 42.059 -0.004 0.000 1.188 227 L HN 0.045 nan 8.230 nan 0.000 0.476 228 P HA 0.066 nan 4.420 nan 0.000 0.234 228 P C -0.221 177.075 177.300 -0.006 0.000 1.175 228 P CA 0.481 63.572 63.100 -0.015 0.000 0.801 228 P CB 0.768 32.470 31.700 0.004 0.000 0.891 229 D N 0.334 120.741 120.400 0.011 0.000 2.181 229 D HA 0.527 5.167 4.640 0.000 0.000 0.248 229 D C -0.262 176.040 176.300 0.003 0.000 1.020 229 D CA -0.169 53.847 54.000 0.028 0.000 0.891 229 D CB 2.512 43.332 40.800 0.034 0.000 1.187 229 D HN 0.026 nan 8.370 nan 0.000 0.443 230 A N 1.008 123.831 122.820 0.006 0.000 2.594 230 A HA 0.329 4.649 4.320 0.000 0.000 0.291 230 A C 0.083 177.583 177.584 -0.140 0.000 1.105 230 A CA -0.461 51.519 52.037 -0.094 0.000 0.694 230 A CB 2.181 21.062 19.000 -0.199 0.000 1.291 230 A HN 0.349 nan 8.150 nan 0.000 0.410 231 Q N -0.416 119.263 119.800 -0.202 0.000 2.396 231 Q HA 0.266 4.606 4.340 0.000 0.000 0.220 231 Q C 0.642 176.460 176.000 -0.304 0.000 0.900 231 Q CA 1.001 56.712 55.803 -0.152 0.000 0.925 231 Q CB 0.730 29.442 28.738 -0.044 0.000 1.065 231 Q HN 0.858 nan 8.270 nan 0.000 0.535 232 A N 1.560 124.134 122.820 -0.411 0.000 2.276 232 A HA 0.484 4.804 4.320 0.000 0.000 0.300 232 A C -0.359 176.867 177.584 -0.597 0.000 1.235 232 A CA -0.362 51.454 52.037 -0.370 0.000 0.867 232 A CB 0.263 19.152 19.000 -0.185 0.000 1.137 232 A HN 0.156 nan 8.150 nan 0.000 0.527 233 H N 1.766 120.822 119.070 -0.023 0.000 3.878 233 H HA 0.477 5.033 4.556 0.000 0.000 0.332 233 H C -1.942 173.366 175.328 -0.033 0.000 1.613 233 H CA -1.303 54.735 56.048 -0.018 0.000 1.413 233 H CB -0.451 29.298 29.762 -0.022 0.000 1.066 233 H HN 0.425 nan 8.280 nan 0.000 0.797 234 P HA 0.053 nan 4.420 nan 0.000 0.342 234 P C 1.122 178.421 177.300 -0.002 0.000 1.384 234 P CA -0.435 62.660 63.100 -0.008 0.000 0.837 234 P CB 0.641 32.307 31.700 -0.057 0.000 2.025 235 L N -0.244 120.966 121.223 -0.021 0.000 2.027 235 L HA 0.020 4.360 4.340 0.000 0.000 0.206 235 L C 2.157 179.034 176.870 0.013 0.000 1.074 235 L CA 2.447 57.287 54.840 0.000 0.000 0.745 235 L CB -1.763 40.304 42.059 0.013 0.000 0.898 235 L HN 0.469 nan 8.230 nan 0.000 0.433 236 G N -0.596 108.206 108.800 0.003 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 1.216 176.124 174.900 0.013 0.000 1.137 236 G CA 1.573 46.674 45.100 0.001 0.000 1.061 236 G HN 0.483 nan 8.290 nan 0.000 1.152 237 E N -0.718 119.486 120.200 0.008 0.000 2.689 237 E HA -0.348 4.002 4.350 0.000 0.000 0.247 237 E C 2.294 178.879 176.600 -0.026 0.000 1.031 237 E CA 2.364 58.763 56.400 -0.001 0.000 1.400 237 E CB -1.270 28.439 29.700 0.015 0.000 1.296 237 E HN 0.516 nan 8.360 nan 0.000 0.475 238 V N 0.432 120.335 119.914 -0.019 0.000 2.215 238 V HA -0.368 3.752 4.120 0.000 0.000 0.249 238 V C 2.123 178.235 176.094 0.030 0.000 1.054 238 V CA 3.086 65.366 62.300 -0.034 0.000 1.012 238 V CB -0.915 30.928 31.823 0.033 0.000 0.639 238 V HN 0.510 nan 8.190 nan 0.000 0.448 239 A N -0.419 122.484 122.820 0.138 0.000 1.986 239 A HA -0.130 4.190 4.320 0.000 0.000 0.220 239 A C 2.305 179.999 177.584 0.183 0.000 1.171 239 A CA 2.226 54.396 52.037 0.221 0.000 0.640 239 A CB -1.416 17.670 19.000 0.143 0.000 0.811 239 A HN 0.824 nan 8.150 nan 0.000 0.451 240 G N -0.730 108.116 108.800 0.076 0.000 2.402 240 G HA2 0.052 4.012 3.960 0.000 0.000 0.216 240 G HA3 0.052 4.012 3.960 0.000 0.000 0.216 240 G C 1.743 176.658 174.900 0.025 0.000 1.162 240 G CA 1.219 46.345 45.100 0.044 0.000 0.777 240 G HN 0.823 nan 8.290 nan 0.000 0.539 241 A N 0.612 123.397 122.820 -0.060 0.000 1.948 241 A HA 0.016 4.336 4.320 0.000 0.000 0.220 241 A C 2.099 179.648 177.584 -0.058 0.000 1.177 241 A CA 1.537 53.488 52.037 -0.142 0.000 0.636 241 A CB -0.583 18.228 19.000 -0.316 0.000 0.815 241 A HN 0.311 nan 8.150 nan 0.000 0.449 242 F N 0.588 120.540 119.950 0.002 0.000 2.293 242 F HA -0.074 4.453 4.527 0.000 0.000 0.300 242 F C 2.103 177.905 175.800 0.003 0.000 1.086 242 F CA 1.065 59.067 58.000 0.003 0.000 1.375 242 F CB -0.405 38.597 39.000 0.004 0.000 1.045 242 F HN 0.290 nan 8.300 nan 0.000 0.516 243 N N 0.222 119.037 118.700 0.192 0.000 2.463 243 N HA 0.107 4.847 4.740 0.000 0.000 0.181 243 N C 0.604 176.153 175.510 0.065 0.000 1.078 243 N CA 0.428 53.539 53.050 0.102 0.000 0.902 243 N CB 0.108 38.642 38.487 0.078 0.000 0.970 243 N HN 0.096 nan 8.380 nan 0.000 0.451 244 A N 1.164 124.018 122.820 0.056 0.000 2.320 244 A HA 0.576 4.896 4.320 0.000 0.000 0.287 244 A C 0.364 177.964 177.584 0.027 0.000 1.181 244 A CA -0.543 51.509 52.037 0.026 0.000 0.831 244 A CB 0.351 19.353 19.000 0.003 0.000 1.102 244 A HN 0.213 nan 8.150 nan 0.000 0.513 245 A N 3.214 126.045 122.820 0.019 0.000 2.567 245 A HA 0.470 4.790 4.320 0.000 0.000 0.240 245 A C 1.020 178.612 177.584 0.013 0.000 1.053 245 A CA 0.830 52.878 52.037 0.017 0.000 0.755 245 A CB -0.538 18.469 19.000 0.011 0.000 0.978 245 A HN 1.532 nan 8.150 nan 0.000 0.507 246 T N -0.514 114.051 114.554 0.017 0.000 2.937 246 T HA 0.471 4.821 4.350 0.000 0.000 0.283 246 T C 1.369 176.075 174.700 0.011 0.000 1.012 246 T CA 0.004 62.112 62.100 0.014 0.000 0.997 246 T CB 0.976 69.856 68.868 0.021 0.000 1.136 246 T HN 1.089 nan 8.240 nan 0.000 0.551 247 S N 0.461 116.165 115.700 0.008 0.000 2.423 247 S HA -0.192 4.278 4.470 0.000 0.000 0.238 247 S C 1.143 175.747 174.600 0.007 0.000 1.028 247 S CA 1.594 59.798 58.200 0.006 0.000 1.000 247 S CB -0.647 62.556 63.200 0.004 0.000 0.797 247 S HN 0.861 nan 8.310 nan 0.000 0.487 248 E N -0.548 119.658 120.200 0.010 0.000 2.441 248 E HA 0.449 4.799 4.350 0.000 0.000 0.212 248 E C -0.212 176.396 176.600 0.013 0.000 0.840 248 E CA -0.091 56.316 56.400 0.011 0.000 1.143 248 E CB 0.698 30.404 29.700 0.009 0.000 1.153 248 E HN 0.271 nan 8.360 nan 0.000 0.539 249 V N 0.681 120.606 119.914 0.017 0.000 2.628 249 V HA 0.557 4.677 4.120 0.000 0.000 0.306 249 V C 1.098 177.204 176.094 0.020 0.000 1.045 249 V CA -0.220 62.091 62.300 0.020 0.000 0.905 249 V CB 1.618 33.456 31.823 0.024 0.000 0.997 249 V HN 0.297 nan 8.190 nan 0.000 0.436 250 G N 3.495 112.306 108.800 0.018 0.000 2.887 250 G HA2 -0.125 3.835 3.960 0.000 0.000 0.189 250 G HA3 -0.125 3.835 3.960 0.000 0.000 0.189 250 G C 0.609 175.525 174.900 0.027 0.000 1.467 250 G CA 1.017 46.129 45.100 0.019 0.000 0.818 250 G HN 0.928 nan 8.290 nan 0.000 0.641 251 S N -0.810 114.906 115.700 0.027 0.000 2.456 251 S HA 0.437 4.907 4.470 0.000 0.000 0.316 251 S C 1.251 175.872 174.600 0.034 0.000 1.089 251 S CA -0.777 57.445 58.200 0.036 0.000 1.101 251 S CB 1.333 64.551 63.200 0.031 0.000 0.995 251 S HN 0.228 nan 8.310 nan 0.000 0.468 252 L N 5.785 127.039 121.223 0.053 0.000 1.990 252 L HA -0.123 4.217 4.340 0.000 0.000 0.213 252 L C 2.861 179.729 176.870 -0.003 0.000 1.072 252 L CA 2.282 57.147 54.840 0.041 0.000 0.755 252 L CB -1.161 40.956 42.059 0.097 0.000 0.889 252 L HN 0.810 nan 8.230 nan 0.000 0.432 253 V N -2.103 117.803 119.914 -0.013 0.000 2.324 253 V HA -0.188 3.932 4.120 0.000 0.000 0.250 253 V C 2.352 178.433 176.094 -0.021 0.000 1.060 253 V CA 1.910 64.185 62.300 -0.041 0.000 1.042 253 V CB -1.931 29.864 31.823 -0.045 0.000 0.650 253 V HN 0.400 nan 8.190 nan 0.000 0.450 254 G N 1.276 110.075 108.800 -0.002 0.000 2.679 254 G HA2 -0.375 3.585 3.960 0.000 0.000 0.217 254 G HA3 -0.375 3.585 3.960 0.000 0.000 0.217 254 G C 1.889 176.789 174.900 -0.000 0.000 1.267 254 G CA 2.648 47.749 45.100 0.002 0.000 0.799 254 G HN 0.956 nan 8.290 nan 0.000 0.606 255 S N 0.043 115.745 115.700 0.004 0.000 2.387 255 S HA -0.183 4.287 4.470 0.000 0.000 0.230 255 S C 2.415 177.014 174.600 -0.001 0.000 1.035 255 S CA 2.047 60.250 58.200 0.005 0.000 1.014 255 S CB -0.654 62.551 63.200 0.009 0.000 0.836 255 S HN 0.416 nan 8.310 nan 0.000 0.466 256 S N 1.441 117.135 115.700 -0.010 0.000 2.345 256 S HA -0.098 4.372 4.470 0.000 0.000 0.220 256 S C 2.124 176.713 174.600 -0.018 0.000 1.031 256 S CA 1.551 59.740 58.200 -0.019 0.000 0.996 256 S CB -0.957 62.220 63.200 -0.038 0.000 0.882 256 S HN 0.633 nan 8.310 nan 0.000 0.445 257 S N 0.958 116.646 115.700 -0.019 0.000 2.359 257 S HA -0.128 4.342 4.470 0.000 0.000 0.223 257 S C 2.033 176.629 174.600 -0.006 0.000 1.039 257 S CA 1.956 60.147 58.200 -0.014 0.000 1.042 257 S CB -1.172 62.020 63.200 -0.015 0.000 0.915 257 S HN 0.743 nan 8.310 nan 0.000 0.439 258 T N 3.280 117.833 114.554 -0.002 0.000 2.580 258 T HA -0.127 4.223 4.350 0.000 0.000 0.265 258 T C 1.834 176.537 174.700 0.005 0.000 1.063 258 T CA 1.624 63.727 62.100 0.003 0.000 1.170 258 T CB -0.817 68.055 68.868 0.006 0.000 0.863 258 T HN 0.238 nan 8.240 nan 0.000 0.418 259 L N 0.861 122.087 121.223 0.005 0.000 2.043 259 L HA -0.147 4.193 4.340 0.000 0.000 0.212 259 L C 2.937 179.810 176.870 0.004 0.000 1.075 259 L CA 1.219 56.063 54.840 0.007 0.000 0.752 259 L CB -0.729 41.334 42.059 0.006 0.000 0.891 259 L HN 0.222 nan 8.230 nan 0.000 0.432 260 S N -0.807 114.892 115.700 -0.001 0.000 2.368 260 S HA -0.223 4.247 4.470 0.000 0.000 0.225 260 S C 1.958 176.558 174.600 -0.001 0.000 1.030 260 S CA 1.195 59.393 58.200 -0.003 0.000 0.999 260 S CB -0.233 62.961 63.200 -0.010 0.000 0.844 260 S HN 0.462 nan 8.310 nan 0.000 0.459 261 Q N 0.783 120.583 119.800 0.001 0.000 2.096 261 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 261 Q C 2.506 178.511 176.000 0.008 0.000 0.982 261 Q CA 1.478 57.283 55.803 0.003 0.000 0.850 261 Q CB -0.409 28.332 28.738 0.005 0.000 0.901 261 Q HN 0.610 nan 8.270 nan 0.000 0.422 262 A N 1.165 123.991 122.820 0.011 0.000 1.858 262 A HA -0.197 4.123 4.320 0.000 0.000 0.216 262 A C 2.076 179.669 177.584 0.014 0.000 1.190 262 A CA 1.293 53.340 52.037 0.016 0.000 0.617 262 A CB -0.761 18.250 19.000 0.020 0.000 0.827 262 A HN 0.294 nan 8.150 nan 0.000 0.443 263 I N 0.794 121.371 120.570 0.010 0.000 2.074 263 I HA -0.368 3.802 4.170 0.000 0.000 0.238 263 I C 2.953 179.072 176.117 0.003 0.000 1.037 263 I CA 2.172 63.476 61.300 0.007 0.000 1.301 263 I CB -0.483 37.519 38.000 0.004 0.000 1.016 263 I HN 0.531 nan 8.210 nan 0.000 0.400 264 S N 0.094 115.795 115.700 0.001 0.000 2.419 264 S HA -0.197 4.273 4.470 0.000 0.000 0.233 264 S C 2.038 176.636 174.600 -0.003 0.000 1.016 264 S CA 1.574 59.772 58.200 -0.003 0.000 0.974 264 S CB -1.264 61.934 63.200 -0.004 0.000 0.786 264 S HN 0.639 nan 8.310 nan 0.000 0.492 265 T N -0.461 114.095 114.554 0.003 0.000 2.821 265 T HA -0.007 4.343 4.350 0.000 0.000 0.267 265 T C 1.723 176.425 174.700 0.004 0.000 1.046 265 T CA 1.316 63.419 62.100 0.006 0.000 1.139 265 T CB -0.565 68.313 68.868 0.016 0.000 0.871 265 T HN 0.241 nan 8.240 nan 0.000 0.454 266 M N 2.157 121.761 119.600 0.007 0.000 2.108 266 M HA 0.178 4.658 4.480 0.000 0.000 0.261 266 M C 2.666 178.959 176.300 -0.012 0.000 1.066 266 M CA 1.303 56.605 55.300 0.003 0.000 1.107 266 M CB -1.178 31.427 32.600 0.009 0.000 1.356 266 M HN 0.447 nan 8.290 nan 0.000 0.406 267 A N -0.660 122.153 122.820 -0.012 0.000 1.892 267 A HA -0.110 4.210 4.320 0.000 0.000 0.218 267 A C 2.356 179.921 177.584 -0.032 0.000 1.188 267 A CA 2.068 54.093 52.037 -0.019 0.000 0.631 267 A CB -1.677 17.314 19.000 -0.014 0.000 0.822 267 A HN 0.559 nan 8.150 nan 0.000 0.447 268 G N -1.069 107.711 108.800 -0.033 0.000 2.421 268 G HA2 -0.173 3.787 3.960 0.000 0.000 0.217 268 G HA3 -0.173 3.787 3.960 0.000 0.000 0.217 268 G C 1.580 176.430 174.900 -0.083 0.000 1.143 268 G CA 0.997 46.068 45.100 -0.048 0.000 0.784 268 G HN 0.559 nan 8.290 nan 0.000 0.541 269 K N 0.161 120.514 120.400 -0.079 0.000 2.288 269 K HA -0.090 4.230 4.320 0.000 0.000 0.201 269 K C 0.790 177.302 176.600 -0.148 0.000 1.048 269 K CA 0.715 56.923 56.287 -0.132 0.000 0.956 269 K CB -0.076 32.384 32.500 -0.067 0.000 0.746 269 K HN 0.165 nan 8.250 nan 0.000 0.461 270 D N -0.013 120.333 120.400 -0.089 0.000 2.882 270 D HA -0.221 4.419 4.640 0.000 0.000 0.229 270 D C 0.339 176.611 176.300 -0.047 0.000 1.167 270 D CA 0.777 54.738 54.000 -0.065 0.000 0.759 270 D CB -0.556 40.200 40.800 -0.074 0.000 1.088 270 D HN 0.238 nan 8.370 nan 0.000 0.425 271 L N -0.373 120.828 121.223 -0.037 0.000 3.400 271 L HA -0.440 3.900 4.340 0.000 0.000 0.158 271 L C 1.976 178.847 176.870 0.002 0.000 4.462 271 L CA 2.956 57.789 54.840 -0.013 0.000 0.423 271 L CB -1.658 40.399 42.059 -0.004 0.000 3.561 271 L HN 0.211 nan 8.230 nan 0.000 0.641 272 D N -0.716 119.685 120.400 0.000 0.000 2.200 272 D HA -0.250 4.390 4.640 0.000 0.000 0.192 272 D C 2.069 178.399 176.300 0.049 0.000 1.008 272 D CA 2.069 56.078 54.000 0.016 0.000 0.872 272 D CB -0.155 40.648 40.800 0.006 0.000 0.923 272 D HN 0.307 nan 8.370 nan 0.000 0.447 273 L N 1.046 122.297 121.223 0.046 0.000 2.223 273 L HA -0.292 4.048 4.340 0.000 0.000 0.230 273 L C 2.339 179.379 176.870 0.283 0.000 1.110 273 L CA 1.603 56.532 54.840 0.148 0.000 0.834 273 L CB -0.620 41.434 42.059 -0.008 0.000 0.915 273 L HN 0.222 nan 8.230 nan 0.000 0.450 274 I N -1.259 119.418 120.570 0.177 0.000 2.493 274 I HA -0.151 4.019 4.170 0.000 0.000 0.254 274 I C 0.905 177.070 176.117 0.081 0.000 1.160 274 I CA 0.735 62.117 61.300 0.136 0.000 1.445 274 I CB -0.940 37.110 38.000 0.084 0.000 1.086 274 I HN 0.274 nan 8.210 nan 0.000 0.433 275 E N 1.631 121.869 120.200 0.064 0.000 2.341 275 E HA 0.422 4.772 4.350 0.000 0.000 0.279 275 E C -0.142 176.479 176.600 0.036 0.000 1.395 275 E CA -0.073 56.349 56.400 0.036 0.000 1.648 275 E CB 0.199 29.913 29.700 0.023 0.000 1.524 275 E HN 0.258 nan 8.360 nan 0.000 0.462 276 A N 1.202 124.045 122.820 0.039 0.000 2.466 276 A HA 0.375 4.695 4.320 0.000 0.000 0.291 276 A C -0.235 177.350 177.584 0.001 0.000 1.234 276 A CA -0.726 51.328 52.037 0.028 0.000 0.752 276 A CB 0.599 19.635 19.000 0.060 0.000 1.153 276 A HN 0.171 nan 8.150 nan 0.000 0.458 277 D N 0.747 121.142 120.400 -0.008 0.000 2.197 277 D HA 0.058 4.698 4.640 0.000 0.000 0.212 277 D C 1.019 177.284 176.300 -0.058 0.000 0.963 277 D CA 1.870 55.856 54.000 -0.023 0.000 0.864 277 D CB 0.201 40.994 40.800 -0.012 0.000 1.009 277 D HN 0.592 nan 8.370 nan 0.000 0.479 278 T N -0.858 113.667 114.554 -0.049 0.000 2.859 278 T HA 0.509 4.859 4.350 0.000 0.000 0.281 278 T C -2.689 171.976 174.700 -0.057 0.000 1.005 278 T CA -2.258 59.806 62.100 -0.060 0.000 1.025 278 T CB 1.453 70.299 68.868 -0.038 0.000 0.977 278 T HN -0.284 nan 8.240 nan 0.000 0.458 279 P HA 0.015 nan 4.420 nan 0.000 0.241 279 P C -0.968 176.320 177.300 -0.020 0.000 1.093 279 P CA 0.109 63.172 63.100 -0.061 0.000 0.843 279 P CB -0.160 31.506 31.700 -0.058 0.000 0.760 280 L N 7.494 128.715 121.223 -0.003 0.000 2.272 280 L HA 0.493 4.833 4.340 0.000 0.000 0.289 280 L C -2.225 174.692 176.870 0.078 0.000 1.032 280 L CA -2.504 52.367 54.840 0.052 0.000 0.810 280 L CB 1.148 43.270 42.059 0.105 0.000 1.205 280 L HN 0.168 nan 8.230 nan 0.000 0.422 281 P HA -0.017 nan 4.420 nan 0.000 0.266 281 P C 1.301 178.666 177.300 0.109 0.000 1.215 281 P CA -0.051 63.090 63.100 0.068 0.000 0.763 281 P CB 0.850 32.575 31.700 0.041 0.000 0.806 282 V N 2.809 122.786 119.914 0.105 0.000 2.251 282 V HA -0.404 3.716 4.120 0.000 0.000 0.259 282 V C 2.238 178.415 176.094 0.137 0.000 1.078 282 V CA 3.026 65.407 62.300 0.135 0.000 1.072 282 V CB -2.660 29.221 31.823 0.096 0.000 0.681 282 V HN 0.623 nan 8.190 nan 0.000 0.454 283 S N 0.445 116.193 115.700 0.081 0.000 2.387 283 S HA -0.193 4.277 4.470 0.000 0.000 0.230 283 S C 1.851 176.469 174.600 0.030 0.000 1.035 283 S CA 1.949 60.180 58.200 0.051 0.000 1.014 283 S CB -1.053 62.165 63.200 0.030 0.000 0.836 283 S HN 0.609 nan 8.310 nan 0.000 0.466 284 V N 0.556 120.489 119.914 0.031 0.000 2.270 284 V HA -0.034 4.086 4.120 0.000 0.000 0.245 284 V C 2.148 178.189 176.094 -0.089 0.000 1.043 284 V CA 2.036 64.328 62.300 -0.012 0.000 1.014 284 V CB -0.895 30.934 31.823 0.009 0.000 0.645 284 V HN 0.536 nan 8.190 nan 0.000 0.447 285 F N 0.909 120.859 119.950 0.000 0.000 2.187 285 F HA 0.002 4.529 4.527 0.000 0.000 0.295 285 F C 1.367 177.212 175.800 0.074 0.000 1.091 285 F CA 0.942 58.949 58.000 0.012 0.000 1.308 285 F CB -0.111 38.925 39.000 0.060 0.000 1.030 285 F HN 0.042 nan 8.300 nan 0.000 0.487 286 T N 3.672 118.328 114.554 0.170 0.000 2.761 286 T HA 0.218 4.568 4.350 0.000 0.000 0.296 286 T C -1.889 172.868 174.700 0.094 0.000 0.934 286 T CA -1.127 61.098 62.100 0.208 0.000 1.091 286 T CB 1.307 70.294 68.868 0.199 0.000 0.896 286 T HN 0.046 nan 8.240 nan 0.000 0.515 287 P HA 0.239 nan 4.420 nan 0.000 0.322 287 P C -0.023 177.315 177.300 0.062 0.000 1.414 287 P CA -0.508 62.635 63.100 0.071 0.000 0.876 287 P CB 0.266 32.023 31.700 0.095 0.000 2.176 288 S N -0.731 115.000 115.700 0.051 0.000 2.499 288 S HA 0.456 4.926 4.470 0.000 0.000 0.279 288 S C -0.420 174.202 174.600 0.036 0.000 1.219 288 S CA -0.521 57.701 58.200 0.037 0.000 1.062 288 S CB -1.023 62.191 63.200 0.025 0.000 0.978 288 S HN 0.109 nan 8.310 nan 0.000 0.489 289 L N 3.652 124.894 121.223 0.031 0.000 2.325 289 L HA 0.775 5.115 4.340 0.000 0.000 0.278 289 L C 0.154 177.034 176.870 0.016 0.000 1.023 289 L CA -0.596 54.260 54.840 0.027 0.000 0.811 289 L CB 1.709 43.787 42.059 0.033 0.000 1.249 289 L HN 0.745 nan 8.230 nan 0.000 0.431 290 A N 3.838 126.666 122.820 0.013 0.000 2.337 290 A HA 0.843 5.163 4.320 0.000 0.000 0.331 290 A C -2.553 175.034 177.584 0.006 0.000 1.137 290 A CA -1.672 50.369 52.037 0.007 0.000 0.807 290 A CB 0.775 19.776 19.000 0.001 0.000 1.250 290 A HN 0.426 nan 8.150 nan 0.000 0.468 291 P HA 0.214 nan 4.420 nan 0.000 0.267 291 P C -0.417 176.877 177.300 -0.010 0.000 1.201 291 P CA 0.148 63.252 63.100 0.006 0.000 0.775 291 P CB 0.372 32.076 31.700 0.007 0.000 0.854 292 R N 0.480 120.976 120.500 -0.007 0.000 2.867 292 R HA 0.601 4.941 4.340 0.000 0.000 0.268 292 R C -0.793 175.373 176.300 -0.223 0.000 1.014 292 R CA -0.732 55.280 56.100 -0.147 0.000 0.946 292 R CB 1.796 31.957 30.300 -0.232 0.000 1.208 292 R HN 0.317 nan 8.270 nan 0.000 0.477 293 S N 1.343 116.787 115.700 -0.427 0.000 2.498 293 S HA 0.619 5.089 4.470 0.000 0.000 0.317 293 S C -1.253 173.097 174.600 -0.416 0.000 1.090 293 S CA -0.510 57.535 58.200 -0.258 0.000 1.089 293 S CB 0.645 63.780 63.200 -0.108 0.000 0.997 293 S HN 0.331 nan 8.310 nan 0.000 0.470 294 Y N 1.439 121.823 120.300 0.140 0.000 2.570 294 Y HA 0.603 5.153 4.550 0.000 0.000 0.345 294 Y C 0.429 176.402 175.900 0.123 0.000 1.014 294 Y CA -1.392 56.811 58.100 0.172 0.000 1.063 294 Y CB 1.403 40.074 38.460 0.351 0.000 1.272 294 Y HN 0.544 nan 8.280 nan 0.000 0.477 295 R N 0.863 121.512 120.500 0.249 0.000 2.532 295 R HA 0.600 4.940 4.340 0.000 0.000 0.295 295 R C -2.803 173.550 176.300 0.087 0.000 0.968 295 R CA -1.718 54.470 56.100 0.146 0.000 0.916 295 R CB 1.688 32.055 30.300 0.112 0.000 1.124 295 R HN 0.269 nan 8.270 nan 0.000 0.463 296 P HA -0.174 nan 4.420 nan 0.000 0.197 296 P C 0.770 178.043 177.300 -0.044 0.000 1.076 296 P CA 2.239 65.330 63.100 -0.014 0.000 0.876 296 P CB -0.076 31.614 31.700 -0.016 0.000 0.705 297 A N -1.416 121.343 122.820 -0.103 0.000 5.138 297 A HA -0.299 4.021 4.320 0.000 0.000 0.356 297 A C 1.109 178.485 177.584 -0.347 0.000 1.635 297 A CA 2.688 54.585 52.037 -0.233 0.000 0.691 297 A CB -2.303 16.657 19.000 -0.066 0.000 1.508 297 A HN 0.302 nan 8.150 nan 0.000 0.410 298 F N -1.347 118.600 119.950 -0.005 0.000 2.850 298 F HA 0.486 5.013 4.527 0.000 0.000 0.329 298 F C 0.484 176.272 175.800 -0.020 0.000 1.182 298 F CA -0.432 57.560 58.000 -0.013 0.000 1.270 298 F CB 0.579 39.575 39.000 -0.006 0.000 0.979 298 F HN 0.407 nan 8.300 nan 0.000 0.506 299 I N 1.240 121.876 120.570 0.110 0.000 3.138 299 I HA 0.115 4.285 4.170 0.000 0.000 0.288 299 I C 0.107 176.226 176.117 0.003 0.000 1.148 299 I CA -0.094 61.228 61.300 0.037 0.000 1.315 299 I CB 0.442 38.433 38.000 -0.015 0.000 1.426 299 I HN -0.116 nan 8.210 nan 0.000 0.615 300 K N 6.600 126.982 120.400 -0.031 0.000 2.464 300 K HA 0.323 4.643 4.320 0.000 0.000 0.252 300 K C -2.019 174.535 176.600 -0.077 0.000 1.000 300 K CA -1.790 54.475 56.287 -0.037 0.000 0.951 300 K CB 1.107 33.593 32.500 -0.022 0.000 1.183 300 K HN 0.259 nan 8.250 nan 0.000 0.445 301 P HA -0.241 nan 4.420 nan 0.000 0.219 301 P C 0.575 177.821 177.300 -0.090 0.000 1.153 301 P CA 1.507 64.547 63.100 -0.101 0.000 0.865 301 P CB 0.469 32.115 31.700 -0.090 0.000 0.788 302 E N -0.763 119.396 120.200 -0.068 0.000 2.085 302 E HA -0.169 4.181 4.350 0.000 0.000 0.194 302 E C 1.758 178.325 176.600 -0.055 0.000 0.994 302 E CA 1.317 57.684 56.400 -0.055 0.000 0.801 302 E CB -0.576 29.099 29.700 -0.043 0.000 0.743 302 E HN 0.396 nan 8.360 nan 0.000 0.453 303 D N -0.378 119.986 120.400 -0.060 0.000 2.301 303 D HA 0.072 4.712 4.640 0.000 0.000 0.206 303 D C 0.164 176.420 176.300 -0.072 0.000 0.979 303 D CA 0.439 54.408 54.000 -0.052 0.000 0.874 303 D CB 0.325 41.105 40.800 -0.034 0.000 0.968 303 D HN 0.070 nan 8.370 nan 0.000 0.510 304 A N 1.832 124.574 122.820 -0.131 0.000 2.798 304 A HA 0.131 4.451 4.320 0.000 0.000 0.316 304 A C 1.266 178.689 177.584 -0.269 0.000 1.506 304 A CA -0.427 51.464 52.037 -0.243 0.000 1.162 304 A CB 0.188 18.975 19.000 -0.356 0.000 1.138 304 A HN -0.058 nan 8.150 nan 0.000 0.532 305 K N 1.777 122.100 120.400 -0.130 0.000 2.044 305 K HA -0.222 4.098 4.320 0.000 0.000 0.224 305 K C 1.544 178.127 176.600 -0.028 0.000 1.056 305 K CA 2.458 58.724 56.287 -0.035 0.000 0.962 305 K CB -0.276 32.271 32.500 0.079 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.693 121.950 121.300 -0.071 0.000 3.077 306 W HA 0.286 4.946 4.660 0.000 0.000 0.245 306 W C 0.280 176.749 176.519 -0.083 0.000 1.316 306 W CA -0.095 57.195 57.345 -0.092 0.000 1.537 306 W CB -0.470 28.908 29.460 -0.136 0.000 1.131 306 W HN -0.016 nan 8.180 nan 0.000 0.695 307 I N 1.099 121.268 120.570 -0.668 0.000 2.586 307 I HA 0.528 4.698 4.170 0.000 0.000 0.281 307 I C -0.474 175.421 176.117 -0.371 0.000 1.145 307 I CA -0.203 60.741 61.300 -0.594 0.000 1.073 307 I CB 0.866 38.230 38.000 -1.060 0.000 1.238 307 I HN -0.098 nan 8.210 nan 0.000 0.461 308 A N 5.799 128.503 122.820 -0.194 0.000 2.616 308 A HA 0.913 5.233 4.320 0.000 0.000 0.253 308 A C -0.973 176.556 177.584 -0.091 0.000 1.239 308 A CA -0.414 51.547 52.037 -0.127 0.000 0.914 308 A CB 1.511 20.460 19.000 -0.085 0.000 1.454 308 A HN 0.546 nan 8.150 nan 0.000 0.460 309 E N -0.704 119.448 120.200 -0.081 0.000 2.317 309 E HA 0.448 4.798 4.350 0.000 0.000 0.270 309 E C -1.682 174.866 176.600 -0.087 0.000 0.885 309 E CA -0.592 55.770 56.400 -0.063 0.000 0.760 309 E CB 1.785 31.439 29.700 -0.078 0.000 1.227 309 E HN 0.432 nan 8.360 nan 0.000 0.434 310 F N 3.620 123.515 119.950 -0.091 0.000 2.553 310 F HA 0.051 4.578 4.527 0.000 0.000 0.356 310 F C 0.809 176.567 175.800 -0.071 0.000 1.142 310 F CA -0.071 57.876 58.000 -0.090 0.000 1.322 310 F CB 0.482 39.424 39.000 -0.097 0.000 1.126 310 F HN 0.297 nan 8.300 nan 0.000 0.599 311 N N 3.886 121.676 118.700 -1.517 0.000 2.443 311 N HA 0.147 4.887 4.740 0.000 0.000 0.295 311 N C -0.962 174.158 175.510 -0.651 0.000 1.076 311 N CA -0.873 51.672 53.050 -0.841 0.000 0.919 311 N CB 0.945 39.067 38.487 -0.608 0.000 1.176 311 N HN 0.605 nan 8.380 nan 0.000 0.487 312 N N 0.877 119.425 118.700 -0.255 0.000 2.395 312 N HA -0.063 4.677 4.740 0.000 0.000 0.246 312 N C -1.001 174.479 175.510 -0.050 0.000 1.246 312 N CA 0.737 53.739 53.050 -0.080 0.000 0.879 312 N CB 0.088 38.546 38.487 -0.048 0.000 1.098 312 N HN 0.695 nan 8.380 nan 0.000 0.444 313 S N 0.144 115.872 115.700 0.046 0.000 3.027 313 S HA -0.026 4.444 4.470 0.000 0.000 0.809 313 S C 0.185 174.887 174.600 0.170 0.000 0.729 313 S CA 0.148 58.389 58.200 0.070 0.000 1.515 313 S CB -2.011 61.199 63.200 0.016 0.000 1.062 313 S HN 1.096 nan 8.310 nan 0.000 0.682 314 S N 1.459 117.250 115.700 0.151 0.000 6.084 314 S HA 0.487 4.957 4.470 0.000 0.000 0.113 314 S C -0.297 174.310 174.600 0.012 0.000 1.162 314 S CA -0.087 58.177 58.200 0.106 0.000 1.406 314 S CB -0.147 63.159 63.200 0.176 0.000 1.969 314 S HN 1.764 nan 8.310 nan 0.000 0.555 315 L N 2.140 123.349 121.223 -0.023 0.000 2.108 315 L HA -0.009 4.331 4.340 0.000 0.000 0.685 315 L C -1.549 175.260 176.870 -0.102 0.000 1.058 315 L CA -0.045 54.758 54.840 -0.062 0.000 1.399 315 L CB -1.108 40.925 42.059 -0.043 0.000 2.171 315 L HN 0.590 nan 8.230 nan 0.000 0.994 316 I N 2.423 122.900 120.570 -0.155 0.000 2.347 316 I HA 0.272 4.442 4.170 0.000 0.000 0.283 316 I C 1.155 177.181 176.117 -0.151 0.000 1.058 316 I CA -0.530 60.678 61.300 -0.154 0.000 1.202 316 I CB 1.058 38.944 38.000 -0.191 0.000 1.386 316 I HN 0.485 nan 8.210 nan 0.000 0.475 317 R N 3.136 123.559 120.500 -0.129 0.000 1.991 317 R HA 0.155 4.495 4.340 0.000 0.000 0.205 317 R C 0.507 176.709 176.300 -0.163 0.000 1.356 317 R CA 0.104 56.120 56.100 -0.140 0.000 1.066 317 R CB -0.294 29.942 30.300 -0.108 0.000 0.854 317 R HN 0.132 nan 8.270 nan 0.000 0.487 318 K N 2.429 122.754 120.400 -0.126 0.000 2.310 318 K HA 0.118 4.438 4.320 0.000 0.000 0.290 318 K C -1.186 175.356 176.600 -0.097 0.000 1.077 318 K CA 0.029 56.244 56.287 -0.120 0.000 0.922 318 K CB 0.601 33.046 32.500 -0.091 0.000 1.057 318 K HN 0.471 nan 8.250 nan 0.000 0.479 319 T N 2.441 116.934 114.554 -0.102 0.000 2.812 319 T HA 0.359 4.709 4.350 0.000 0.000 0.282 319 T C -0.387 174.303 174.700 -0.017 0.000 0.990 319 T CA -1.056 61.011 62.100 -0.056 0.000 0.960 319 T CB 0.838 69.679 68.868 -0.046 0.000 0.948 319 T HN 0.408 nan 8.240 nan 0.000 0.438 320 L N 4.625 125.840 121.223 -0.014 0.000 2.559 320 L HA 0.253 4.593 4.340 0.000 0.000 0.274 320 L C 1.571 178.460 176.870 0.031 0.000 1.205 320 L CA 1.202 56.041 54.840 -0.001 0.000 0.907 320 L CB 0.615 42.657 42.059 -0.028 0.000 1.153 320 L HN 1.072 nan 8.230 nan 0.000 0.490 321 T N 1.957 116.554 114.554 0.072 0.000 3.000 321 T HA 0.172 4.522 4.350 0.000 0.000 0.248 321 T C 0.113 174.909 174.700 0.160 0.000 1.034 321 T CA 0.072 62.250 62.100 0.129 0.000 1.060 321 T CB -0.020 68.969 68.868 0.201 0.000 0.983 321 T HN 0.446 nan 8.240 nan 0.000 0.482 322 Y N 1.010 121.332 120.300 0.037 0.000 2.829 322 Y HA 0.576 5.127 4.550 0.000 0.000 0.322 322 Y C -1.130 174.782 175.900 0.020 0.000 1.357 322 Y CA -2.118 55.998 58.100 0.027 0.000 1.081 322 Y CB 1.455 39.932 38.460 0.028 0.000 1.339 322 Y HN -0.012 nan 8.280 nan 0.000 0.469 323 S N 1.842 116.463 115.700 -1.799 0.000 2.519 323 S HA 0.343 4.813 4.470 0.000 0.000 0.310 323 S C 0.739 175.062 174.600 -0.463 0.000 1.201 323 S CA 0.746 58.403 58.200 -0.904 0.000 1.179 323 S CB -0.669 62.109 63.200 -0.705 0.000 1.104 323 S HN 1.385 nan 8.310 nan 0.000 0.527 324 G N 2.441 111.087 108.800 -0.257 0.000 2.341 324 G HA2 -0.070 3.890 3.960 0.000 0.000 0.292 324 G HA3 -0.070 3.890 3.960 0.000 0.000 0.292 324 G C 0.059 174.921 174.900 -0.062 0.000 1.021 324 G CA 0.182 45.209 45.100 -0.120 0.000 0.905 324 G HN 1.193 nan 8.290 nan 0.000 0.508 325 A N -0.657 122.127 122.820 -0.059 0.000 2.449 325 A HA 1.006 5.325 4.320 0.000 0.000 0.302 325 A C 0.023 177.637 177.584 0.049 0.000 1.048 325 A CA 0.349 52.407 52.037 0.035 0.000 0.708 325 A CB 1.778 20.866 19.000 0.147 0.000 1.274 325 A HN 1.638 nan 8.150 nan 0.000 0.410 326 T N -0.906 113.688 114.554 0.066 0.000 2.912 326 T HA 0.644 4.994 4.350 0.000 0.000 0.299 326 T C -1.156 173.606 174.700 0.104 0.000 1.052 326 T CA -0.493 61.642 62.100 0.059 0.000 0.996 326 T CB 1.351 70.221 68.868 0.004 0.000 1.070 326 T HN 1.132 nan 8.240 nan 0.000 0.465 327 Y N 1.812 122.108 120.300 -0.007 0.000 2.442 327 Y HA 0.552 5.102 4.550 0.000 0.000 0.344 327 Y C -0.185 175.707 175.900 -0.014 0.000 0.976 327 Y CA -0.993 57.095 58.100 -0.020 0.000 1.040 327 Y CB 2.011 40.487 38.460 0.027 0.000 1.228 327 Y HN 0.949 nan 8.280 nan 0.000 0.451 328 T N 3.187 117.261 114.554 -0.800 0.000 2.782 328 T HA 0.157 4.507 4.350 0.000 0.000 0.298 328 T C 0.899 174.958 174.700 -1.069 0.000 0.944 328 T CA -0.320 61.362 62.100 -0.696 0.000 1.001 328 T CB 0.616 69.316 68.868 -0.281 0.000 0.932 328 T HN 0.667 nan 8.240 nan 0.000 0.524 329 V N 2.756 122.185 119.914 -0.809 0.000 2.759 329 V HA -0.084 4.036 4.120 0.000 0.000 0.256 329 V C 1.663 177.684 176.094 -0.122 0.000 1.080 329 V CA 1.784 63.867 62.300 -0.361 0.000 1.101 329 V CB -1.085 30.676 31.823 -0.103 0.000 0.698 329 V HN 1.143 nan 8.190 nan 0.000 0.477 330 Q N -1.087 118.607 119.800 -0.177 0.000 2.480 330 Q HA -0.240 4.100 4.340 0.000 0.000 0.265 330 Q C -0.125 175.808 176.000 -0.111 0.000 1.072 330 Q CA 0.893 56.615 55.803 -0.135 0.000 1.018 330 Q CB -2.343 26.318 28.738 -0.128 0.000 1.433 330 Q HN 0.590 nan 8.270 nan 0.000 0.513 331 L N -0.345 120.801 121.223 -0.129 0.000 2.825 331 L HA 0.289 4.629 4.340 0.000 0.000 0.278 331 L C 1.080 177.919 176.870 -0.052 0.000 1.125 331 L CA 2.120 56.867 54.840 -0.154 0.000 1.023 331 L CB -0.274 41.562 42.059 -0.372 0.000 1.377 331 L HN 0.408 nan 8.230 nan 0.000 0.471 332 G N 4.204 113.055 108.800 0.085 0.000 3.507 332 G HA2 0.229 4.189 3.960 0.000 0.000 0.162 332 G HA3 0.229 4.189 3.960 0.000 0.000 0.162 332 G C -2.816 172.168 174.900 0.141 0.000 1.230 332 G CA -0.129 45.072 45.100 0.169 0.000 1.412 332 G HN 0.377 nan 8.290 nan 0.000 0.723 333 P HA 0.241 nan 4.420 nan 0.000 0.263 333 P C 0.687 177.986 177.300 -0.001 0.000 1.276 333 P CA 1.460 64.562 63.100 0.003 0.000 0.986 333 P CB 0.033 31.722 31.700 -0.018 0.000 1.105 334 G N 4.576 113.375 108.800 -0.002 0.000 2.295 334 G HA2 -0.196 3.764 3.960 0.000 0.000 0.287 334 G HA3 -0.196 3.764 3.960 0.000 0.000 0.287 334 G C -2.183 172.712 174.900 -0.008 0.000 1.055 334 G CA -0.780 44.308 45.100 -0.021 0.000 0.922 334 G HN 0.352 nan 8.290 nan 0.000 0.503 335 P HA 0.284 nan 4.420 nan 0.000 0.263 335 P C 1.359 178.666 177.300 0.012 0.000 1.345 335 P CA 0.898 64.020 63.100 0.038 0.000 1.119 335 P CB -0.075 31.672 31.700 0.078 0.000 1.363 336 T N 1.375 115.908 114.554 -0.035 0.000 13.732 336 T HA -0.270 4.080 4.350 0.000 0.000 0.419 336 T C 0.596 175.271 174.700 -0.042 0.000 1.441 336 T CA 0.832 62.898 62.100 -0.057 0.000 2.344 336 T CB -0.874 67.959 68.868 -0.059 0.000 2.781 336 T HN 0.433 nan 8.240 nan 0.000 0.464 337 R N 0.419 120.910 120.500 -0.015 0.000 2.692 337 R HA 0.568 4.908 4.340 0.000 0.000 0.269 337 R C -1.232 175.080 176.300 0.019 0.000 1.030 337 R CA -0.450 55.640 56.100 -0.017 0.000 0.882 337 R CB 1.702 31.974 30.300 -0.047 0.000 1.250 337 R HN 0.740 nan 8.270 nan 0.000 0.465 338 V N 0.239 120.160 119.914 0.011 0.000 2.311 338 V HA 0.535 4.655 4.120 0.000 0.000 0.275 338 V C 0.049 176.182 176.094 0.065 0.000 1.022 338 V CA -0.822 61.508 62.300 0.050 0.000 0.830 338 V CB 0.734 32.575 31.823 0.029 0.000 1.012 338 V HN 0.501 nan 8.190 nan 0.000 0.452 339 I N 5.352 126.004 120.570 0.137 0.000 2.363 339 I HA 0.264 4.434 4.170 0.000 0.000 0.292 339 I C 0.496 176.714 176.117 0.169 0.000 1.075 339 I CA 0.412 61.803 61.300 0.152 0.000 1.333 339 I CB 0.361 38.517 38.000 0.259 0.000 1.415 339 I HN 0.585 nan 8.210 nan 0.000 0.502 340 D N 8.385 128.863 120.400 0.130 0.000 2.558 340 D HA 0.109 4.749 4.640 0.000 0.000 0.221 340 D C 0.469 176.778 176.300 0.015 0.000 1.143 340 D CA 0.003 54.074 54.000 0.117 0.000 1.010 340 D CB 0.741 41.606 40.800 0.108 0.000 1.068 340 D HN 0.403 nan 8.370 nan 0.000 0.511 341 M N 1.018 120.521 119.600 -0.163 0.000 2.723 341 M HA 0.035 4.515 4.480 0.000 0.000 0.270 341 M C 0.321 176.396 176.300 -0.375 0.000 1.282 341 M CA -0.353 54.596 55.300 -0.586 0.000 0.995 341 M CB -1.301 30.477 32.600 -1.370 0.000 1.430 341 M HN -0.017 nan 8.290 nan 0.000 0.477 342 N N 1.588 120.208 118.700 -0.133 0.000 2.508 342 N HA 0.349 5.089 4.740 0.000 0.000 0.253 342 N C 0.220 175.767 175.510 0.062 0.000 1.145 342 N CA 0.327 53.364 53.050 -0.021 0.000 0.973 342 N CB 0.219 38.687 38.487 -0.031 0.000 1.305 342 N HN 0.417 nan 8.380 nan 0.000 0.506 343 A N 3.663 126.571 122.820 0.147 0.000 2.519 343 A HA -0.173 4.147 4.320 0.000 0.000 0.297 343 A C 0.061 177.754 177.584 0.181 0.000 1.472 343 A CA 0.572 52.722 52.037 0.187 0.000 0.739 343 A CB -1.461 17.611 19.000 0.120 0.000 1.096 343 A HN 0.592 nan 8.150 nan 0.000 0.414 344 M N 0.952 120.723 119.600 0.285 0.000 3.307 344 M HA 0.390 4.870 4.480 0.000 0.000 0.222 344 M C 0.746 177.228 176.300 0.302 0.000 1.243 344 M CA -0.128 55.304 55.300 0.220 0.000 1.270 344 M CB -1.599 31.057 32.600 0.093 0.000 1.187 344 M HN 1.353 nan 8.290 nan 0.000 0.598 345 I N -1.314 119.357 120.570 0.169 0.000 5.504 345 I HA -0.338 3.832 4.170 0.000 0.000 0.128 345 I C -0.666 175.400 176.117 -0.084 0.000 1.242 345 I CA 0.755 62.089 61.300 0.055 0.000 2.596 345 I CB -0.544 37.468 38.000 0.020 0.000 2.176 345 I HN 0.470 nan 8.210 nan 0.000 0.313 346 D N 1.593 121.883 120.400 -0.183 0.000 2.381 346 D HA 0.618 5.258 4.640 0.000 0.000 0.235 346 D C -0.735 175.401 176.300 -0.274 0.000 1.068 346 D CA -0.290 53.484 54.000 -0.377 0.000 0.832 346 D CB 1.573 42.192 40.800 -0.301 0.000 1.101 346 D HN 0.609 nan 8.370 nan 0.000 0.515 347 S N 0.544 116.036 115.700 -0.348 0.000 2.632 347 S HA 0.573 5.043 4.470 0.000 0.000 0.289 347 S C -0.506 174.031 174.600 -0.105 0.000 1.115 347 S CA -0.705 57.415 58.200 -0.133 0.000 0.889 347 S CB 2.325 65.562 63.200 0.062 0.000 1.116 347 S HN 0.172 nan 8.310 nan 0.000 0.486 348 V N 2.458 122.344 119.914 -0.047 0.000 2.376 348 V HA 0.349 4.469 4.120 0.000 0.000 0.287 348 V C -0.580 175.487 176.094 -0.044 0.000 1.015 348 V CA -0.496 61.783 62.300 -0.035 0.000 0.834 348 V CB 1.108 32.911 31.823 -0.033 0.000 1.001 348 V HN 0.711 nan 8.190 nan 0.000 0.428 349 L N 4.682 125.866 121.223 -0.066 0.000 2.451 349 L HA 0.153 4.493 4.340 0.000 0.000 0.272 349 L C 0.697 177.452 176.870 -0.191 0.000 1.258 349 L CA 0.168 54.914 54.840 -0.157 0.000 1.132 349 L CB -0.316 41.551 42.059 -0.319 0.000 1.361 349 L HN 0.638 nan 8.230 nan 0.000 0.438 350 T N 3.321 117.793 114.554 -0.136 0.000 3.182 350 T HA 0.165 4.515 4.350 0.000 0.000 0.274 350 T C 0.034 174.635 174.700 -0.165 0.000 0.997 350 T CA -0.261 61.726 62.100 -0.189 0.000 1.082 350 T CB -0.022 68.749 68.868 -0.162 0.000 1.005 350 T HN 0.137 nan 8.240 nan 0.000 0.688 351 L N 4.355 125.475 121.223 -0.172 0.000 2.278 351 L HA 0.317 4.657 4.340 0.000 0.000 0.287 351 L C -0.437 176.391 176.870 -0.071 0.000 1.072 351 L CA -0.037 54.751 54.840 -0.086 0.000 0.819 351 L CB 0.478 42.500 42.059 -0.062 0.000 1.176 351 L HN 0.409 nan 8.230 nan 0.000 0.435 352 D N 5.866 126.255 120.400 -0.018 0.000 2.446 352 D HA 0.251 4.891 4.640 0.000 0.000 0.251 352 D C -0.802 175.535 176.300 0.062 0.000 1.137 352 D CA -0.171 53.840 54.000 0.018 0.000 0.890 352 D CB 1.606 42.415 40.800 0.015 0.000 1.071 352 D HN 0.213 nan 8.370 nan 0.000 0.528 353 V N 0.742 120.715 119.914 0.098 0.000 2.394 353 V HA 0.646 4.766 4.120 0.000 0.000 0.282 353 V C 0.395 176.608 176.094 0.198 0.000 1.031 353 V CA -0.400 61.987 62.300 0.145 0.000 0.881 353 V CB 1.444 33.371 31.823 0.173 0.000 0.982 353 V HN 0.432 nan 8.190 nan 0.000 0.451 354 S N 2.523 118.324 115.700 0.167 0.000 2.547 354 S HA 0.745 5.215 4.470 0.000 0.000 0.270 354 S C 0.503 175.190 174.600 0.145 0.000 1.150 354 S CA 0.803 59.097 58.200 0.157 0.000 0.850 354 S CB 1.663 64.906 63.200 0.072 0.000 1.118 354 S HN 1.995 nan 8.310 nan 0.000 0.461 355 G N 2.060 110.947 108.800 0.145 0.000 5.045 355 G HA2 -0.252 3.708 3.960 0.000 0.000 0.229 355 G HA3 -0.252 3.708 3.960 0.000 0.000 0.229 355 G C 0.233 175.227 174.900 0.157 0.000 1.440 355 G CA 0.279 45.453 45.100 0.124 0.000 0.936 355 G HN 1.377 nan 8.290 nan 0.000 0.690 356 T N 1.696 116.333 114.554 0.137 0.000 2.751 356 T HA 0.406 4.756 4.350 0.000 0.000 0.279 356 T C 1.110 175.872 174.700 0.103 0.000 0.941 356 T CA 1.184 63.348 62.100 0.106 0.000 1.192 356 T CB 1.250 70.150 68.868 0.053 0.000 0.883 356 T HN 0.730 nan 8.240 nan 0.000 0.534 357 I N 3.601 124.241 120.570 0.116 0.000 4.228 357 I HA 0.319 4.489 4.170 0.000 0.000 0.298 357 I C -0.101 176.113 176.117 0.163 0.000 1.206 357 I CA -0.007 61.333 61.300 0.067 0.000 1.322 357 I CB 0.295 38.314 38.000 0.033 0.000 1.411 357 I HN 0.625 nan 8.210 nan 0.000 0.454 358 L N 2.851 124.156 121.223 0.136 0.000 3.642 358 L HA -0.171 4.169 4.340 0.000 0.000 0.613 358 L C -2.091 174.808 176.870 0.048 0.000 1.064 358 L CA -0.595 54.333 54.840 0.147 0.000 1.039 358 L CB -1.733 40.471 42.059 0.243 0.000 1.226 358 L HN 0.202 nan 8.230 nan 0.000 0.764 359 P HA -0.036 nan 4.420 nan 0.000 0.266 359 P C -0.096 177.104 177.300 -0.167 0.000 1.195 359 P CA 0.012 62.981 63.100 -0.219 0.000 0.768 359 P CB 0.354 31.979 31.700 -0.125 0.000 0.838 360 Y N 2.308 122.421 120.300 -0.311 0.000 2.846 360 Y HA -0.243 4.307 4.550 0.000 0.000 0.352 360 Y C 1.803 177.647 175.900 -0.093 0.000 1.298 360 Y CA -0.263 57.624 58.100 -0.355 0.000 1.634 360 Y CB -0.326 37.822 38.460 -0.520 0.000 1.214 360 Y HN 0.567 nan 8.280 nan 0.000 0.529 361 D N 1.236 121.774 120.400 0.230 0.000 2.034 361 D HA -0.367 4.273 4.640 0.000 0.000 0.605 361 D C 0.943 177.307 176.300 0.106 0.000 0.732 361 D CA 2.376 56.489 54.000 0.189 0.000 1.697 361 D CB -0.539 40.406 40.800 0.241 0.000 0.219 361 D HN 0.538 nan 8.370 nan 0.000 0.339 362 T N 0.354 114.961 114.554 0.088 0.000 3.751 362 T HA 0.216 4.566 4.350 0.000 0.000 0.240 362 T C -1.511 173.213 174.700 0.039 0.000 1.004 362 T CA -0.645 61.487 62.100 0.054 0.000 1.645 362 T CB -0.610 68.283 68.868 0.041 0.000 0.763 362 T HN 0.026 nan 8.240 nan 0.000 0.625 363 N N 3.815 122.542 118.700 0.044 0.000 2.372 363 N HA 0.424 5.164 4.740 0.000 0.000 0.291 363 N C -2.309 173.222 175.510 0.035 0.000 1.024 363 N CA -1.929 51.140 53.050 0.031 0.000 0.873 363 N CB 2.146 40.639 38.487 0.011 0.000 1.206 363 N HN 0.253 nan 8.380 nan 0.000 0.486 364 P HA 0.081 nan 4.420 nan 0.000 0.271 364 P C -0.700 176.614 177.300 0.025 0.000 1.535 364 P CA 0.417 63.526 63.100 0.016 0.000 0.820 364 P CB 0.032 31.738 31.700 0.011 0.000 1.606 365 D N -0.003 120.431 120.400 0.057 0.000 2.892 365 D HA 0.178 4.818 4.640 0.000 0.000 0.291 365 D C 1.457 177.794 176.300 0.061 0.000 1.341 365 D CA -0.181 53.880 54.000 0.103 0.000 0.844 365 D CB 0.577 41.457 40.800 0.134 0.000 1.093 365 D HN 0.210 nan 8.370 nan 0.000 0.480 366 L N 0.057 121.259 121.223 -0.034 0.000 2.102 366 L HA -0.012 4.328 4.340 0.000 0.000 0.202 366 L C 1.351 178.145 176.870 -0.127 0.000 1.076 366 L CA 0.514 55.275 54.840 -0.133 0.000 0.761 366 L CB -0.400 41.610 42.059 -0.083 0.000 0.921 366 L HN -0.030 nan 8.230 nan 0.000 0.444 367 S N -0.127 115.539 115.700 -0.058 0.000 2.562 367 S HA 0.201 4.671 4.470 0.000 0.000 0.281 367 S C 0.839 175.422 174.600 -0.028 0.000 1.333 367 S CA 0.179 58.358 58.200 -0.035 0.000 1.052 367 S CB 0.836 64.029 63.200 -0.012 0.000 0.884 367 S HN 0.529 nan 8.310 nan 0.000 0.506 368 T N -1.751 112.787 114.554 -0.026 0.000 5.504 368 T HA -0.196 4.154 4.350 0.000 0.000 0.268 368 T C 0.058 174.742 174.700 -0.026 0.000 2.211 368 T CA 0.495 62.588 62.100 -0.012 0.000 3.769 368 T CB -3.067 65.811 68.868 0.016 0.000 0.563 368 T HN 1.499 nan 8.240 nan 0.000 1.119 369 S N 1.176 116.819 115.700 -0.096 0.000 2.448 369 S HA 0.723 5.193 4.470 0.000 0.000 0.320 369 S C 0.218 174.701 174.600 -0.196 0.000 1.071 369 S CA -0.291 57.808 58.200 -0.168 0.000 1.113 369 S CB 1.815 64.737 63.200 -0.463 0.000 0.972 369 S HN 1.458 nan 8.310 nan 0.000 0.465 370 V N -0.376 119.451 119.914 -0.144 0.000 2.630 370 V HA 0.689 4.809 4.120 0.000 0.000 0.305 370 V C -3.122 172.867 176.094 -0.175 0.000 1.046 370 V CA -3.198 59.002 62.300 -0.167 0.000 0.934 370 V CB 0.962 32.733 31.823 -0.088 0.000 1.003 370 V HN 0.480 nan 8.190 nan 0.000 0.451 371 P HA 0.438 nan 4.420 nan 0.000 0.264 371 P C -0.413 176.837 177.300 -0.083 0.000 1.229 371 P CA 0.679 63.648 63.100 -0.218 0.000 0.780 371 P CB 0.594 32.086 31.700 -0.347 0.000 0.808 372 A N 3.934 126.718 122.820 -0.060 0.000 2.479 372 A HA 0.765 5.085 4.320 0.000 0.000 0.296 372 A C -1.602 176.027 177.584 0.075 0.000 1.121 372 A CA -0.621 51.420 52.037 0.008 0.000 0.743 372 A CB 1.128 20.102 19.000 -0.044 0.000 1.323 372 A HN 0.419 nan 8.150 nan 0.000 0.415 373 F N 1.423 121.366 119.950 -0.011 0.000 2.458 373 F HA 0.660 5.187 4.527 0.000 0.000 0.336 373 F C -0.984 174.833 175.800 0.029 0.000 1.114 373 F CA -0.538 57.469 58.000 0.012 0.000 0.987 373 F CB 1.765 40.779 39.000 0.023 0.000 1.130 373 F HN 0.325 nan 8.300 nan 0.000 0.458 374 V N 7.545 126.936 119.914 -0.871 0.000 2.444 374 V HA 0.352 4.472 4.120 0.000 0.000 0.294 374 V C -0.613 174.956 176.094 -0.875 0.000 1.022 374 V CA -0.808 61.108 62.300 -0.640 0.000 0.850 374 V CB 1.454 33.122 31.823 -0.258 0.000 0.992 374 V HN 0.719 nan 8.190 nan 0.000 0.426 375 L N 6.097 126.987 121.223 -0.555 0.000 2.350 375 L HA 0.580 4.920 4.340 0.000 0.000 0.275 375 L C -0.400 176.427 176.870 -0.073 0.000 1.099 375 L CA 0.365 55.070 54.840 -0.225 0.000 0.808 375 L CB 1.047 43.120 42.059 0.023 0.000 1.149 375 L HN 0.516 nan 8.230 nan 0.000 0.442 376 I N 4.188 124.782 120.570 0.039 0.000 2.362 376 I HA 0.340 4.510 4.170 0.000 0.000 0.289 376 I C -0.514 175.715 176.117 0.187 0.000 0.994 376 I CA -0.381 60.986 61.300 0.111 0.000 1.158 376 I CB 1.389 39.478 38.000 0.149 0.000 1.315 376 I HN 0.545 nan 8.210 nan 0.000 0.451 377 Q N 4.459 124.317 119.800 0.096 0.000 2.788 377 Q HA 0.352 4.692 4.340 0.000 0.000 0.261 377 Q C -0.585 175.409 176.000 -0.010 0.000 1.029 377 Q CA -0.234 55.582 55.803 0.021 0.000 0.848 377 Q CB 1.776 30.512 28.738 -0.003 0.000 1.185 377 Q HN 0.627 nan 8.270 nan 0.000 0.482 378 T N -0.965 113.599 114.554 0.016 0.000 2.886 378 T HA 0.252 4.602 4.350 0.000 0.000 0.292 378 T C 0.529 175.095 174.700 -0.223 0.000 1.012 378 T CA -0.474 61.615 62.100 -0.020 0.000 0.982 378 T CB 1.432 70.352 68.868 0.086 0.000 1.018 378 T HN 0.236 nan 8.240 nan 0.000 0.451 379 S N 2.345 117.861 115.700 -0.307 0.000 2.660 379 S HA 0.110 4.580 4.470 0.000 0.000 0.223 379 S C 0.448 175.101 174.600 0.090 0.000 0.963 379 S CA -0.050 57.889 58.200 -0.436 0.000 0.932 379 S CB -0.095 62.930 63.200 -0.292 0.000 0.775 379 S HN 0.551 nan 8.310 nan 0.000 0.531 380 V N 4.161 124.171 119.914 0.161 0.000 2.294 380 V HA 0.271 4.391 4.120 0.000 0.000 0.272 380 V C -2.534 173.757 176.094 0.328 0.000 1.027 380 V CA -2.342 60.094 62.300 0.227 0.000 0.823 380 V CB 0.931 32.821 31.823 0.111 0.000 1.030 380 V HN 0.047 nan 8.190 nan 0.000 0.457 381 P HA 0.062 nan 4.420 nan 0.000 0.260 381 P C 1.382 178.745 177.300 0.104 0.000 1.185 381 P CA 0.019 63.302 63.100 0.306 0.000 0.763 381 P CB 0.424 32.218 31.700 0.157 0.000 0.776 382 I N 2.425 122.947 120.570 -0.081 0.000 2.317 382 I HA -0.350 3.820 4.170 0.000 0.000 0.244 382 I C 1.808 177.976 176.117 0.085 0.000 0.986 382 I CA 2.137 63.355 61.300 -0.136 0.000 1.286 382 I CB -1.341 36.464 38.000 -0.325 0.000 0.983 382 I HN 0.462 nan 8.210 nan 0.000 0.422 383 Q N -0.224 119.610 119.800 0.057 0.000 2.437 383 Q HA -0.179 4.161 4.340 0.000 0.000 0.210 383 Q C 1.985 178.042 176.000 0.096 0.000 0.972 383 Q CA 0.942 56.788 55.803 0.071 0.000 0.903 383 Q CB -0.293 28.440 28.738 -0.007 0.000 0.967 383 Q HN 0.571 nan 8.270 nan 0.000 0.486 384 Q N -1.102 118.747 119.800 0.082 0.000 2.425 384 Q HA 0.093 4.433 4.340 0.000 0.000 0.204 384 Q C -0.261 175.774 176.000 0.058 0.000 0.933 384 Q CA 0.159 56.003 55.803 0.069 0.000 0.939 384 Q CB 0.732 29.508 28.738 0.064 0.000 1.044 384 Q HN 0.062 nan 8.270 nan 0.000 0.513 385 V N 2.172 122.120 119.914 0.057 0.000 2.276 385 V HA 0.070 4.190 4.120 0.000 0.000 0.249 385 V C 1.068 177.115 176.094 -0.077 0.000 1.160 385 V CA 0.696 62.980 62.300 -0.026 0.000 1.042 385 V CB -0.240 31.523 31.823 -0.101 0.000 1.224 385 V HN 0.395 nan 8.190 nan 0.000 0.496 386 T N -0.626 113.905 114.554 -0.038 0.000 3.000 386 T HA 0.112 4.462 4.350 0.000 0.000 0.248 386 T C 0.876 175.535 174.700 -0.068 0.000 1.034 386 T CA 0.639 62.713 62.100 -0.043 0.000 1.060 386 T CB 0.492 69.366 68.868 0.009 0.000 0.983 386 T HN 0.651 nan 8.240 nan 0.000 0.482 387 T N -1.830 112.688 114.554 -0.060 0.000 2.910 387 T HA 0.773 5.123 4.350 0.000 0.000 0.287 387 T C 1.590 176.249 174.700 -0.068 0.000 1.050 387 T CA -0.216 61.847 62.100 -0.062 0.000 1.011 387 T CB 1.474 70.318 68.868 -0.041 0.000 1.195 387 T HN 0.095 nan 8.240 nan 0.000 0.540 388 A N 0.785 123.566 122.820 -0.064 0.000 1.997 388 A HA 0.083 4.403 4.320 0.000 0.000 0.221 388 A C 2.607 180.166 177.584 -0.042 0.000 1.172 388 A CA 2.504 54.507 52.037 -0.057 0.000 0.645 388 A CB -1.649 17.321 19.000 -0.050 0.000 0.813 388 A HN 1.430 nan 8.150 nan 0.000 0.454 389 A N 0.556 123.356 122.820 -0.034 0.000 1.917 389 A HA -0.275 4.045 4.320 0.000 0.000 0.219 389 A C 1.803 179.376 177.584 -0.018 0.000 1.182 389 A CA 2.148 54.171 52.037 -0.023 0.000 0.633 389 A CB -0.848 18.142 19.000 -0.017 0.000 0.819 389 A HN 0.645 nan 8.150 nan 0.000 0.448 390 N N 0.667 119.354 118.700 -0.021 0.000 2.094 390 N HA -0.206 4.534 4.740 0.000 0.000 0.191 390 N C 1.468 176.972 175.510 -0.010 0.000 1.023 390 N CA 1.863 54.906 53.050 -0.013 0.000 0.857 390 N CB -0.844 37.632 38.487 -0.018 0.000 1.013 390 N HN 0.740 nan 8.380 nan 0.000 0.426 391 I N -1.947 118.608 120.570 -0.026 0.000 2.300 391 I HA -0.270 3.900 4.170 0.000 0.000 0.252 391 I C 1.130 177.248 176.117 0.001 0.000 1.119 391 I CA 1.220 62.508 61.300 -0.019 0.000 1.384 391 I CB -1.242 36.738 38.000 -0.035 0.000 1.062 391 I HN 0.086 nan 8.210 nan 0.000 0.426 392 T N -0.113 114.438 114.554 -0.005 0.000 13.467 392 T HA -0.361 3.989 4.350 0.000 0.000 0.419 392 T C 0.617 175.314 174.700 -0.006 0.000 1.441 392 T CA 2.234 64.329 62.100 -0.007 0.000 2.354 392 T CB -1.804 67.056 68.868 -0.014 0.000 2.797 392 T HN 1.197 nan 8.240 nan 0.000 0.557 393 A N 1.962 124.782 122.820 0.001 0.000 2.310 393 A HA 0.693 5.013 4.320 0.000 0.000 0.304 393 A C -0.177 177.411 177.584 0.007 0.000 1.231 393 A CA -0.744 51.296 52.037 0.004 0.000 0.799 393 A CB 0.213 19.215 19.000 0.004 0.000 1.162 393 A HN 0.805 nan 8.150 nan 0.000 0.486 394 I N 1.693 122.263 120.570 -0.001 0.000 2.281 394 I HA 0.483 4.653 4.170 0.000 0.000 0.293 394 I C 0.265 176.381 176.117 -0.002 0.000 1.085 394 I CA -0.262 61.034 61.300 -0.007 0.000 1.257 394 I CB 0.873 38.867 38.000 -0.009 0.000 1.430 394 I HN 0.412 nan 8.210 nan 0.000 0.489 395 T N 2.872 117.419 114.554 -0.012 0.000 2.788 395 T HA 0.494 4.844 4.350 0.000 0.000 0.296 395 T C 0.009 174.690 174.700 -0.032 0.000 1.009 395 T CA -0.776 61.324 62.100 -0.000 0.000 0.949 395 T CB 1.106 69.986 68.868 0.019 0.000 0.946 395 T HN 0.341 nan 8.240 nan 0.000 0.453 396 V N 5.212 125.122 119.914 -0.006 0.000 2.416 396 V HA 0.023 4.143 4.120 0.000 0.000 0.267 396 V C 1.373 177.486 176.094 0.032 0.000 1.007 396 V CA -0.071 62.226 62.300 -0.006 0.000 1.102 396 V CB -0.517 31.321 31.823 0.026 0.000 1.035 396 V HN 0.903 nan 8.190 nan 0.000 0.473 397 V N 3.359 123.303 119.914 0.050 0.000 2.581 397 V HA 0.048 4.168 4.120 0.000 0.000 0.240 397 V C 1.127 177.323 176.094 0.171 0.000 1.054 397 V CA 0.965 63.351 62.300 0.143 0.000 1.076 397 V CB 0.304 32.269 31.823 0.238 0.000 0.748 397 V HN 0.795 nan 8.190 nan 0.000 0.474 398 S N 0.416 116.250 115.700 0.224 0.000 2.328 398 S HA 0.726 5.196 4.470 0.000 0.000 0.204 398 S C 0.396 175.076 174.600 0.134 0.000 1.475 398 S CA 0.322 58.651 58.200 0.215 0.000 1.148 398 S CB 1.198 64.572 63.200 0.291 0.000 1.077 398 S HN 0.493 nan 8.310 nan 0.000 0.479 399 A N 1.378 124.249 122.820 0.086 0.000 2.295 399 A HA 0.798 5.118 4.320 0.000 0.000 0.193 399 A C 1.189 178.803 177.584 0.051 0.000 1.512 399 A CA 0.712 52.782 52.037 0.055 0.000 1.103 399 A CB -0.411 18.601 19.000 0.020 0.000 1.331 399 A HN 1.376 nan 8.150 nan 0.000 0.501 400 A N -0.449 122.400 122.820 0.049 0.000 5.295 400 A HA -0.037 4.283 4.320 0.000 0.000 0.313 400 A C 1.506 179.097 177.584 0.011 0.000 1.912 400 A CA 1.305 53.364 52.037 0.036 0.000 0.714 400 A CB -2.024 17.007 19.000 0.052 0.000 1.319 400 A HN 2.116 nan 8.150 nan 0.000 0.375 401 G N -0.347 108.461 108.800 0.013 0.000 2.494 401 G HA2 0.607 4.567 3.960 0.000 0.000 0.297 401 G HA3 0.607 4.567 3.960 0.000 0.000 0.297 401 G C 0.204 175.094 174.900 -0.017 0.000 0.971 401 G CA 1.049 46.144 45.100 -0.009 0.000 1.378 401 G HN 2.115 nan 8.290 nan 0.000 0.456 402 A N 2.955 125.744 122.820 -0.052 0.000 3.126 402 A HA 0.586 4.906 4.320 0.000 0.000 0.268 402 A C 1.216 178.756 177.584 -0.073 0.000 1.605 402 A CA 0.145 52.147 52.037 -0.059 0.000 1.305 402 A CB -0.206 18.756 19.000 -0.063 0.000 1.160 402 A HN 0.893 nan 8.150 nan 0.000 0.609 403 S N 0.111 115.784 115.700 -0.044 0.000 3.657 403 S HA 0.930 5.400 4.470 0.000 0.000 0.183 403 S C 0.341 174.929 174.600 -0.019 0.000 0.995 403 S CA 0.249 58.431 58.200 -0.029 0.000 1.333 403 S CB 0.361 63.544 63.200 -0.028 0.000 1.197 403 S HN 2.114 nan 8.310 nan 0.000 0.856 404 A N -0.254 122.564 122.820 -0.004 0.000 2.519 404 A HA 0.641 4.961 4.320 0.000 0.000 0.298 404 A C -2.106 175.493 177.584 0.025 0.000 0.963 404 A CA -0.251 51.794 52.037 0.012 0.000 0.624 404 A CB 0.004 18.992 19.000 -0.020 0.000 1.356 404 A HN 1.392 nan 8.150 nan 0.000 0.441 405 I N 0.022 120.626 120.570 0.056 0.000 2.775 405 I HA 0.505 4.675 4.170 0.000 0.000 0.295 405 I C -0.991 175.177 176.117 0.085 0.000 1.287 405 I CA -0.465 60.866 61.300 0.050 0.000 1.029 405 I CB 2.108 40.129 38.000 0.034 0.000 1.282 405 I HN 0.569 nan 8.210 nan 0.000 0.426 406 N N 6.755 125.485 118.700 0.052 0.000 2.598 406 N HA 0.147 4.887 4.740 0.000 0.000 0.300 406 N C 0.769 176.306 175.510 0.046 0.000 1.224 406 N CA 0.264 53.348 53.050 0.057 0.000 1.125 406 N CB -0.186 38.317 38.487 0.027 0.000 1.468 406 N HN 0.539 nan 8.380 nan 0.000 0.504 407 L N -0.269 120.998 121.223 0.072 0.000 2.478 407 L HA 0.094 4.434 4.340 0.000 0.000 0.223 407 L C 1.098 177.909 176.870 -0.098 0.000 1.140 407 L CA -0.080 54.714 54.840 -0.076 0.000 0.842 407 L CB -0.242 41.647 42.059 -0.283 0.000 0.953 407 L HN 0.375 nan 8.230 nan 0.000 0.452 408 A N 0.651 123.513 122.820 0.069 0.000 2.450 408 A HA 0.299 4.619 4.320 0.000 0.000 0.255 408 A C 0.323 177.924 177.584 0.027 0.000 1.096 408 A CA -0.382 51.702 52.037 0.079 0.000 0.778 408 A CB -0.239 18.848 19.000 0.144 0.000 1.031 408 A HN 0.213 nan 8.150 nan 0.000 0.494 409 I N 3.261 123.841 120.570 0.016 0.000 2.906 409 I HA -0.100 4.070 4.170 0.000 0.000 0.312 409 I C 1.070 177.197 176.117 0.018 0.000 1.169 409 I CA 0.471 61.776 61.300 0.008 0.000 2.267 409 I CB -0.967 37.035 38.000 0.003 0.000 1.624 409 I HN 0.739 nan 8.210 nan 0.000 1.067 410 N N 2.137 120.847 118.700 0.017 0.000 2.463 410 N HA -0.065 4.675 4.740 0.000 0.000 0.181 410 N C 1.774 177.292 175.510 0.013 0.000 1.078 410 N CA 0.156 53.217 53.050 0.018 0.000 0.902 410 N CB 0.297 38.795 38.487 0.018 0.000 0.970 410 N HN 0.361 nan 8.380 nan 0.000 0.451 411 V N 0.885 120.805 119.914 0.010 0.000 2.380 411 V HA -0.205 3.915 4.120 0.000 0.000 0.251 411 V C 1.307 177.406 176.094 0.009 0.000 1.063 411 V CA 1.652 63.956 62.300 0.007 0.000 1.055 411 V CB -0.282 31.544 31.823 0.004 0.000 0.657 411 V HN 0.267 nan 8.190 nan 0.000 0.455 412 R N -0.497 120.010 120.500 0.011 0.000 2.652 412 R HA 0.446 4.786 4.340 0.000 0.000 0.372 412 R C 1.321 177.631 176.300 0.016 0.000 1.104 412 R CA 0.596 56.703 56.100 0.012 0.000 1.072 412 R CB 0.468 30.774 30.300 0.011 0.000 1.367 412 R HN 0.447 nan 8.270 nan 0.000 0.577 413 G N -0.004 108.806 108.800 0.017 0.000 2.253 413 G HA2 -0.367 3.593 3.960 0.000 0.000 0.251 413 G HA3 -0.367 3.593 3.960 0.000 0.000 0.251 413 G C 0.050 174.966 174.900 0.025 0.000 0.998 413 G CA -0.044 45.068 45.100 0.020 0.000 0.621 413 G HN 0.392 nan 8.290 nan 0.000 0.524 414 Q N 1.355 121.171 119.800 0.026 0.000 2.364 414 Q HA 0.461 4.801 4.340 0.000 0.000 0.267 414 Q C -2.191 173.835 176.000 0.042 0.000 0.999 414 Q CA -0.390 55.433 55.803 0.034 0.000 0.886 414 Q CB 1.161 29.918 28.738 0.031 0.000 1.243 414 Q HN 0.350 nan 8.270 nan 0.000 0.415 415 P HA 0.278 nan 4.420 nan 0.000 0.199 415 P C -1.227 176.129 177.300 0.094 0.000 1.878 415 P CA -0.551 62.590 63.100 0.069 0.000 1.202 415 P CB 0.785 32.523 31.700 0.063 0.000 1.719 416 R N 2.291 122.848 120.500 0.094 0.000 2.320 416 R HA 0.359 4.699 4.340 0.000 0.000 0.319 416 R C -0.521 175.857 176.300 0.130 0.000 0.969 416 R CA -1.013 55.149 56.100 0.104 0.000 0.857 416 R CB 0.575 30.912 30.300 0.061 0.000 1.160 416 R HN 0.317 nan 8.270 nan 0.000 0.491 417 F N 3.067 123.028 119.950 0.018 0.000 2.557 417 F HA -0.036 4.491 4.527 0.000 0.000 0.384 417 F C 1.308 177.119 175.800 0.018 0.000 1.057 417 F CA 0.119 58.129 58.000 0.017 0.000 1.169 417 F CB 0.272 39.285 39.000 0.021 0.000 1.070 417 F HN 0.539 nan 8.300 nan 0.000 0.554 418 N N 6.003 124.238 118.700 -0.774 0.000 2.283 418 N HA -0.094 4.646 4.740 0.000 0.000 0.236 418 N C -0.012 175.187 175.510 -0.518 0.000 1.252 418 N CA -0.395 52.295 53.050 -0.599 0.000 0.856 418 N CB 0.494 38.632 38.487 -0.581 0.000 1.099 418 N HN 0.640 nan 8.380 nan 0.000 0.444 419 M N 2.224 121.696 119.600 -0.213 0.000 2.435 419 M HA 0.190 4.670 4.480 0.000 0.000 0.338 419 M C -1.064 175.220 176.300 -0.026 0.000 1.628 419 M CA -0.269 54.992 55.300 -0.066 0.000 1.215 419 M CB 0.091 32.684 32.600 -0.011 0.000 1.905 419 M HN 0.368 nan 8.290 nan 0.000 0.457 420 L N 4.086 125.364 121.223 0.092 0.000 2.334 420 L HA 0.360 4.700 4.340 0.000 0.000 0.277 420 L C -0.724 176.250 176.870 0.174 0.000 1.075 420 L CA 0.044 54.987 54.840 0.172 0.000 0.804 420 L CB 1.026 43.280 42.059 0.325 0.000 1.174 420 L HN 0.724 nan 8.230 nan 0.000 0.438 421 H N 4.220 123.329 119.070 0.065 0.000 2.661 421 H HA 0.484 5.040 4.556 0.000 0.000 0.290 421 H C -1.040 174.320 175.328 0.054 0.000 1.082 421 H CA -0.434 55.644 56.048 0.050 0.000 1.234 421 H CB 0.441 30.220 29.762 0.029 0.000 1.387 421 H HN 0.547 nan 8.280 nan 0.000 0.476 422 L N 3.940 125.136 121.223 -0.044 0.000 2.357 422 L HA 0.368 4.708 4.340 0.000 0.000 0.273 422 L C -0.256 176.553 176.870 -0.103 0.000 1.080 422 L CA -0.720 54.111 54.840 -0.015 0.000 0.803 422 L CB 1.256 43.337 42.059 0.035 0.000 1.174 422 L HN 0.571 nan 8.230 nan 0.000 0.443 423 Q N 2.277 122.064 119.800 -0.022 0.000 2.304 423 Q HA 0.547 4.887 4.340 0.000 0.000 0.270 423 Q C -1.139 174.860 176.000 -0.001 0.000 1.035 423 Q CA -0.481 55.301 55.803 -0.034 0.000 0.781 423 Q CB 2.392 31.149 28.738 0.031 0.000 1.261 423 Q HN 0.670 nan 8.270 nan 0.000 0.444 424 A N 1.840 124.619 122.820 -0.068 0.000 2.431 424 A HA 0.382 4.702 4.320 0.000 0.000 0.318 424 A C 0.359 177.960 177.584 0.028 0.000 1.330 424 A CA -0.719 51.316 52.037 -0.004 0.000 0.804 424 A CB 0.022 18.942 19.000 -0.133 0.000 1.135 424 A HN 0.636 nan 8.150 nan 0.000 0.483 425 T N 0.643 115.223 114.554 0.043 0.000 3.728 425 T HA -0.043 4.307 4.350 0.000 0.000 0.212 425 T C 0.054 174.768 174.700 0.024 0.000 0.931 425 T CA 0.002 62.114 62.100 0.019 0.000 2.012 425 T CB -1.223 67.650 68.868 0.008 0.000 1.163 425 T HN 0.514 nan 8.240 nan 0.000 0.690 426 F N 3.528 123.465 119.950 -0.021 0.000 2.616 426 F HA 0.205 4.732 4.527 0.000 0.000 0.331 426 F C 0.025 175.818 175.800 -0.013 0.000 1.309 426 F CA -1.248 56.745 58.000 -0.011 0.000 1.068 426 F CB -0.751 38.228 39.000 -0.034 0.000 1.464 426 F HN 0.411 nan 8.300 nan 0.000 0.667 427 E N 6.238 126.205 120.200 -0.388 0.000 2.101 427 E HA 0.101 4.451 4.350 0.000 0.000 0.260 427 E C 1.268 177.765 176.600 -0.172 0.000 0.897 427 E CA -0.328 55.864 56.400 -0.347 0.000 0.744 427 E CB 0.731 30.331 29.700 -0.167 0.000 1.140 427 E HN 0.710 nan 8.360 nan 0.000 0.419 428 R N 1.910 122.260 120.500 -0.250 0.000 2.211 428 R HA -0.189 4.151 4.340 0.000 0.000 0.240 428 R C 0.671 176.989 176.300 0.030 0.000 1.144 428 R CA 1.408 57.532 56.100 0.041 0.000 0.992 428 R CB -0.068 30.310 30.300 0.131 0.000 0.869 428 R HN 0.205 nan 8.270 nan 0.000 0.462 429 E N 0.861 121.047 120.200 -0.023 0.000 2.153 429 E HA -0.101 4.249 4.350 0.000 0.000 0.194 429 E C 1.805 178.407 176.600 0.004 0.000 0.988 429 E CA 1.905 58.299 56.400 -0.009 0.000 0.811 429 E CB -0.150 29.534 29.700 -0.026 0.000 0.746 429 E HN 0.376 nan 8.360 nan 0.000 0.466 430 T N 0.575 115.132 114.554 0.005 0.000 2.721 430 T HA -0.180 4.170 4.350 0.000 0.000 0.268 430 T C 1.707 176.425 174.700 0.031 0.000 1.038 430 T CA 1.480 63.593 62.100 0.022 0.000 1.145 430 T CB -0.165 68.722 68.868 0.031 0.000 0.858 430 T HN 0.148 nan 8.240 nan 0.000 0.459 431 I N 0.103 120.699 120.570 0.044 0.000 3.616 431 I HA 0.099 4.269 4.170 0.000 0.000 0.296 431 I C 0.954 177.087 176.117 0.028 0.000 1.226 431 I CA 0.362 61.684 61.300 0.036 0.000 1.394 431 I CB -0.243 37.783 38.000 0.045 0.000 1.171 431 I HN 0.187 nan 8.210 nan 0.000 0.442 432 T N 0.012 114.588 114.554 0.037 0.000 3.882 432 T HA -0.131 4.219 4.350 0.000 0.000 0.366 432 T C 0.885 175.609 174.700 0.039 0.000 0.760 432 T CA 0.266 62.387 62.100 0.035 0.000 1.931 432 T CB -2.598 66.284 68.868 0.023 0.000 1.807 432 T HN 1.343 nan 8.240 nan 0.000 0.790 433 G N 1.503 110.333 108.800 0.051 0.000 2.575 433 G HA2 -0.090 3.870 3.960 0.000 0.000 0.267 433 G HA3 -0.090 3.870 3.960 0.000 0.000 0.267 433 G C 0.695 175.601 174.900 0.011 0.000 1.264 433 G CA 0.504 45.634 45.100 0.050 0.000 0.935 433 G HN 1.777 nan 8.290 nan 0.000 0.568 434 I N -2.639 117.954 120.570 0.037 0.000 4.519 434 I HA -0.233 3.937 4.170 0.000 0.000 0.056 434 I C -1.558 174.425 176.117 -0.224 0.000 0.610 434 I CA 2.020 63.310 61.300 -0.017 0.000 0.951 434 I CB -1.915 36.081 38.000 -0.006 0.000 0.858 434 I HN 0.741 nan 8.210 nan 0.000 0.164 435 P HA 0.261 nan 4.420 nan 0.000 0.219 435 P C -0.731 176.246 177.300 -0.538 0.000 1.847 435 P CA -0.125 62.694 63.100 -0.470 0.000 1.110 435 P CB -0.591 30.965 31.700 -0.240 0.000 1.839 436 Y N 1.084 121.300 120.300 -0.139 0.000 3.073 436 Y HA -0.063 4.487 4.550 0.000 0.000 0.343 436 Y C 1.090 176.569 175.900 -0.701 0.000 1.274 436 Y CA -0.385 57.517 58.100 -0.331 0.000 1.554 436 Y CB -0.591 37.675 38.460 -0.323 0.000 1.250 436 Y HN 0.153 nan 8.280 nan 0.000 0.622 437 I N 4.258 124.557 120.570 -0.453 0.000 2.325 437 I HA 0.252 4.422 4.170 0.000 0.000 0.291 437 I C -0.535 175.314 176.117 -0.446 0.000 1.019 437 I CA -0.204 60.870 61.300 -0.377 0.000 1.302 437 I CB -0.120 37.807 38.000 -0.120 0.000 1.401 437 I HN 0.462 nan 8.210 nan 0.000 0.485 438 Y N 3.767 124.099 120.300 0.054 0.000 2.602 438 Y HA 0.914 5.464 4.550 0.000 0.000 0.342 438 Y C 0.580 176.504 175.900 0.041 0.000 1.029 438 Y CA -1.326 56.803 58.100 0.048 0.000 1.080 438 Y CB 2.166 40.654 38.460 0.046 0.000 1.284 438 Y HN 0.557 nan 8.280 nan 0.000 0.485 439 G N 0.656 109.596 108.800 0.232 0.000 2.703 439 G HA2 0.549 4.509 3.960 0.000 0.000 0.294 439 G HA3 0.549 4.509 3.960 0.000 0.000 0.294 439 G C -2.633 172.305 174.900 0.063 0.000 1.451 439 G CA -0.636 44.498 45.100 0.057 0.000 0.869 439 G HN 0.552 nan 8.290 nan 0.000 0.516 440 L N 0.420 121.545 121.223 -0.165 0.000 2.303 440 L HA 0.983 5.323 4.340 0.000 0.000 0.256 440 L C 0.289 177.148 176.870 -0.019 0.000 1.034 440 L CA -0.466 54.346 54.840 -0.046 0.000 0.832 440 L CB 2.367 44.385 42.059 -0.069 0.000 1.403 440 L HN 0.907 nan 8.230 nan 0.000 0.419 441 G N -0.080 108.743 108.800 0.038 0.000 2.470 441 G HA2 0.609 4.569 3.960 0.000 0.000 0.320 441 G HA3 0.609 4.569 3.960 0.000 0.000 0.320 441 G C -1.298 173.561 174.900 -0.069 0.000 1.245 441 G CA -0.265 44.856 45.100 0.035 0.000 0.935 441 G HN 0.670 nan 8.290 nan 0.000 0.476 442 T N 0.971 115.459 114.554 -0.109 0.000 3.289 442 T HA 0.327 4.677 4.350 0.000 0.000 0.370 442 T C -0.778 173.827 174.700 -0.159 0.000 1.546 442 T CA -0.689 61.300 62.100 -0.185 0.000 1.144 442 T CB 0.253 69.141 68.868 0.034 0.000 1.379 442 T HN 0.965 nan 8.240 nan 0.000 0.478 443 F N 4.470 124.353 119.950 -0.111 0.000 2.583 443 F HA 0.398 4.925 4.527 0.000 0.000 0.330 443 F C -0.057 175.477 175.800 -0.443 0.000 1.298 443 F CA -1.298 56.574 58.000 -0.214 0.000 1.099 443 F CB -1.465 37.429 39.000 -0.177 0.000 1.540 443 F HN 0.378 nan 8.300 nan 0.000 0.673 444 L N 4.189 125.179 121.223 -0.389 0.000 2.326 444 L HA 0.573 4.913 4.340 0.000 0.000 0.278 444 L C -0.506 176.141 176.870 -0.373 0.000 1.092 444 L CA -0.522 53.794 54.840 -0.874 0.000 0.810 444 L CB 1.053 42.839 42.059 -0.455 0.000 1.153 444 L HN 0.664 nan 8.230 nan 0.000 0.439 445 I N 5.822 126.270 120.570 -0.202 0.000 2.569 445 I HA 0.426 4.596 4.170 0.000 0.000 0.296 445 I C -2.019 174.182 176.117 0.140 0.000 1.028 445 I CA -2.327 59.016 61.300 0.072 0.000 1.082 445 I CB 2.681 40.805 38.000 0.207 0.000 1.264 445 I HN 0.526 nan 8.210 nan 0.000 0.429 446 P HA -0.056 nan 4.420 nan 0.000 0.214 446 P C 0.102 177.475 177.300 0.123 0.000 1.162 446 P CA 0.613 63.806 63.100 0.154 0.000 0.871 446 P CB 0.184 31.975 31.700 0.152 0.000 0.783 447 S N 0.961 116.719 115.700 0.096 0.000 2.481 447 S HA 0.142 4.612 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 -1.325 56.917 58.200 0.070 0.000 1.078 447 S CB -0.781 62.452 63.200 0.055 0.000 0.916 447 S HN -0.130 nan 8.310 nan 0.000 0.495 448 P HA 0.091 nan 4.420 nan 0.000 0.264 448 P C -0.489 176.779 177.300 -0.054 0.000 1.193 448 P CA -0.008 63.090 63.100 -0.003 0.000 0.763 448 P CB 0.362 32.056 31.700 -0.010 0.000 0.810 449 T N -0.580 113.905 114.554 -0.115 0.000 2.795 449 T HA 0.276 4.626 4.350 0.000 0.000 0.282 449 T C 0.298 174.894 174.700 -0.172 0.000 0.980 449 T CA -0.780 61.177 62.100 -0.239 0.000 1.012 449 T CB 0.587 69.142 68.868 -0.521 0.000 0.936 449 T HN 0.145 nan 8.240 nan 0.000 0.457 450 S N 2.885 118.499 115.700 -0.143 0.000 2.686 450 S HA 0.093 4.563 4.470 0.000 0.000 0.324 450 S C 1.708 176.288 174.600 -0.034 0.000 1.172 450 S CA -0.217 57.941 58.200 -0.071 0.000 1.127 450 S CB -0.757 62.419 63.200 -0.040 0.000 1.338 450 S HN 0.857 nan 8.310 nan 0.000 0.547 451 S N 4.064 119.738 115.700 -0.043 0.000 2.389 451 S HA -0.194 4.276 4.470 0.000 0.000 0.231 451 S C 2.223 176.812 174.600 -0.018 0.000 1.052 451 S CA 2.377 60.560 58.200 -0.029 0.000 1.053 451 S CB -0.613 62.552 63.200 -0.057 0.000 0.886 451 S HN 0.998 nan 8.310 nan 0.000 0.456 452 S N 1.791 117.480 115.700 -0.018 0.000 2.348 452 S HA -0.144 4.326 4.470 0.000 0.000 0.221 452 S C 1.640 176.242 174.600 0.003 0.000 1.033 452 S CA 1.461 59.653 58.200 -0.013 0.000 1.010 452 S CB -1.106 62.086 63.200 -0.013 0.000 0.891 452 S HN 0.651 nan 8.310 nan 0.000 0.442 453 N N 1.884 120.595 118.700 0.018 0.000 2.000 453 N HA -0.053 4.687 4.740 0.000 0.000 0.198 453 N C 0.593 176.166 175.510 0.105 0.000 1.057 453 N CA 1.375 54.454 53.050 0.048 0.000 0.858 453 N CB -0.814 37.696 38.487 0.039 0.000 1.057 453 N HN 0.562 nan 8.380 nan 0.000 0.423 454 F N 1.955 121.853 119.950 -0.088 0.000 2.626 454 F HA 0.232 4.759 4.527 0.000 0.000 0.353 454 F C 1.205 176.961 175.800 -0.073 0.000 1.230 454 F CA -0.870 57.077 58.000 -0.088 0.000 1.298 454 F CB -0.371 38.514 39.000 -0.190 0.000 1.670 454 F HN 0.060 nan 8.300 nan 0.000 0.633 455 S N 1.236 116.854 115.700 -0.137 0.000 2.420 455 S HA -0.275 4.195 4.470 0.000 0.000 0.237 455 S C 1.042 175.423 174.600 -0.364 0.000 1.023 455 S CA 0.745 58.817 58.200 -0.213 0.000 0.991 455 S CB -0.782 62.353 63.200 -0.108 0.000 0.792 455 S HN 0.764 nan 8.310 nan 0.000 0.488 456 N N 3.359 121.712 118.700 -0.578 0.000 2.440 456 N HA 0.035 4.775 4.740 0.000 0.000 0.265 456 N C -1.338 173.759 175.510 -0.688 0.000 1.239 456 N CA -1.240 51.457 53.050 -0.588 0.000 0.909 456 N CB 1.126 39.274 38.487 -0.565 0.000 1.066 456 N HN 0.136 nan 8.380 nan 0.000 0.474 457 P HA -0.071 nan 4.420 nan 0.000 0.205 457 P C 0.302 177.651 177.300 0.081 0.000 1.193 457 P CA 1.331 64.367 63.100 -0.107 0.000 0.929 457 P CB 0.154 31.828 31.700 -0.043 0.000 0.772 458 T N -2.299 112.315 114.554 0.099 0.000 3.168 458 T HA 0.298 4.648 4.350 0.000 0.000 0.373 458 T C -0.929 173.732 174.700 -0.065 0.000 1.681 458 T CA -0.614 61.602 62.100 0.193 0.000 1.135 458 T CB -0.175 68.787 68.868 0.156 0.000 1.477 458 T HN -0.122 nan 8.240 nan 0.000 0.480 459 L N 3.873 125.001 121.223 -0.159 0.000 2.984 459 L HA 0.451 4.791 4.340 0.000 0.000 0.246 459 L C 1.131 177.824 176.870 -0.296 0.000 1.268 459 L CA -0.185 54.547 54.840 -0.180 0.000 1.054 459 L CB 0.145 42.250 42.059 0.076 0.000 1.393 459 L HN 0.553 nan 8.230 nan 0.000 0.532 460 M N 1.584 120.878 119.600 -0.510 0.000 3.011 460 M HA 0.096 4.576 4.480 0.000 0.000 0.292 460 M C -0.877 175.314 176.300 -0.182 0.000 1.440 460 M CA 0.357 55.418 55.300 -0.399 0.000 1.552 460 M CB -0.353 31.941 32.600 -0.511 0.000 1.187 460 M HN 0.174 nan 8.290 nan 0.000 0.520 461 D N 2.922 123.250 120.400 -0.120 0.000 2.518 461 D HA 0.401 5.041 4.640 0.000 0.000 0.230 461 D C 0.485 176.777 176.300 -0.014 0.000 1.138 461 D CA -0.102 53.857 54.000 -0.068 0.000 0.964 461 D CB 1.014 41.753 40.800 -0.101 0.000 1.011 461 D HN 0.680 nan 8.370 nan 0.000 0.517 462 G N 0.618 109.423 108.800 0.008 0.000 3.407 462 G HA2 0.483 4.443 3.960 0.000 0.000 0.187 462 G HA3 0.483 4.443 3.960 0.000 0.000 0.187 462 G C -0.933 174.001 174.900 0.055 0.000 1.262 462 G CA -0.324 44.800 45.100 0.040 0.000 0.808 462 G HN 0.306 nan 8.290 nan 0.000 0.687 463 L N -0.417 120.842 121.223 0.060 0.000 2.330 463 L HA 0.834 5.174 4.340 0.000 0.000 0.271 463 L C -1.438 175.478 176.870 0.077 0.000 1.013 463 L CA -0.835 54.048 54.840 0.072 0.000 0.816 463 L CB 2.079 44.173 42.059 0.058 0.000 1.287 463 L HN 0.318 nan 8.230 nan 0.000 0.435 464 L N 3.146 124.445 121.223 0.127 0.000 2.454 464 L HA 0.477 4.817 4.340 0.000 0.000 0.258 464 L C -0.784 176.219 176.870 0.222 0.000 1.025 464 L CA 0.166 55.098 54.840 0.152 0.000 0.901 464 L CB 1.209 43.388 42.059 0.200 0.000 1.210 464 L HN 0.635 nan 8.230 nan 0.000 0.457 465 T N 3.925 118.542 114.554 0.105 0.000 2.997 465 T HA 0.282 4.632 4.350 0.000 0.000 0.311 465 T C 0.201 174.946 174.700 0.074 0.000 1.079 465 T CA -0.253 61.902 62.100 0.091 0.000 0.982 465 T CB 0.271 69.150 68.868 0.018 0.000 1.032 465 T HN 0.256 nan 8.240 nan 0.000 0.581 466 V N 4.704 124.710 119.914 0.152 0.000 2.458 466 V HA 0.014 4.135 4.120 0.000 0.000 0.287 466 V C 1.107 177.213 176.094 0.020 0.000 1.009 466 V CA 0.251 62.564 62.300 0.021 0.000 1.091 466 V CB 0.046 31.773 31.823 -0.160 0.000 0.960 466 V HN 0.812 nan 8.190 nan 0.000 0.476 467 T N 9.101 123.645 114.554 -0.016 0.000 3.364 467 T HA 0.172 4.522 4.350 0.000 0.000 0.323 467 T C -1.994 172.686 174.700 -0.033 0.000 1.323 467 T CA -0.861 61.229 62.100 -0.017 0.000 1.073 467 T CB 0.205 69.065 68.868 -0.013 0.000 1.150 467 T HN 0.579 nan 8.240 nan 0.000 0.727 468 P HA 0.057 nan 4.420 nan 0.000 0.244 468 P C 1.473 178.752 177.300 -0.036 0.000 1.723 468 P CA -0.128 62.946 63.100 -0.043 0.000 1.110 468 P CB -0.243 31.439 31.700 -0.031 0.000 1.972 469 V N 1.054 120.937 119.914 -0.051 0.000 2.317 469 V HA -0.212 3.908 4.120 0.000 0.000 0.251 469 V C 1.343 177.413 176.094 -0.041 0.000 1.065 469 V CA 1.295 63.567 62.300 -0.046 0.000 1.049 469 V CB -1.441 30.346 31.823 -0.059 0.000 0.651 469 V HN 0.193 nan 8.190 nan 0.000 0.450 470 L N 0.738 121.929 121.223 -0.054 0.000 2.387 470 L HA 0.371 4.711 4.340 0.000 0.000 0.267 470 L C 1.017 177.876 176.870 -0.019 0.000 1.197 470 L CA 0.192 55.006 54.840 -0.042 0.000 1.070 470 L CB 0.318 42.339 42.059 -0.064 0.000 1.349 470 L HN 0.150 nan 8.230 nan 0.000 0.422 471 L N 2.184 123.403 121.223 -0.007 0.000 2.450 471 L HA -0.024 4.316 4.340 0.000 0.000 0.224 471 L C 1.080 177.961 176.870 0.019 0.000 1.149 471 L CA 0.756 55.603 54.840 0.012 0.000 0.816 471 L CB -0.577 41.490 42.059 0.014 0.000 0.932 471 L HN 0.409 nan 8.230 nan 0.000 0.449 472 R N 1.704 122.209 120.500 0.008 0.000 2.345 472 R HA 0.070 4.410 4.340 0.000 0.000 0.331 472 R C -0.070 176.240 176.300 0.017 0.000 1.067 472 R CA 0.095 56.202 56.100 0.012 0.000 0.962 472 R CB -0.835 29.466 30.300 0.003 0.000 0.987 472 R HN 0.247 nan 8.270 nan 0.000 0.451 473 E N 1.301 121.520 120.200 0.031 0.000 5.193 473 E HA -0.131 4.219 4.350 0.000 0.000 0.181 473 E C -1.204 175.424 176.600 0.047 0.000 1.240 473 E CA 0.183 56.605 56.400 0.037 0.000 1.194 473 E CB -0.465 29.251 29.700 0.027 0.000 1.015 473 E HN 0.690 nan 8.360 nan 0.000 0.369 474 T N 1.629 116.223 114.554 0.066 0.000 2.851 474 T HA 0.328 4.678 4.350 0.000 0.000 0.298 474 T C 0.533 175.280 174.700 0.079 0.000 0.977 474 T CA -0.161 61.983 62.100 0.073 0.000 1.126 474 T CB 1.363 70.290 68.868 0.098 0.000 0.916 474 T HN 0.273 nan 8.240 nan 0.000 0.529 475 T N 3.297 117.896 114.554 0.075 0.000 2.853 475 T HA 0.069 4.419 4.350 0.000 0.000 0.298 475 T C -0.495 174.285 174.700 0.133 0.000 0.978 475 T CA -0.028 62.127 62.100 0.093 0.000 1.152 475 T CB -0.308 68.601 68.868 0.067 0.000 0.914 475 T HN 0.654 nan 8.240 nan 0.000 0.539 476 Y N 4.310 124.610 120.300 0.000 0.000 2.676 476 Y HA 0.249 4.799 4.550 0.000 0.000 0.338 476 Y C 0.398 176.302 175.900 0.008 0.000 1.057 476 Y CA -0.821 57.273 58.100 -0.009 0.000 1.314 476 Y CB -0.263 38.184 38.460 -0.023 0.000 1.164 476 Y HN 0.705 nan 8.280 nan 0.000 0.509 477 K N 4.415 124.770 120.400 -0.075 0.000 4.387 477 K HA -0.238 4.082 4.320 0.000 0.000 0.290 477 K C 1.020 177.646 176.600 0.042 0.000 0.936 477 K CA 0.645 56.884 56.287 -0.081 0.000 0.890 477 K CB -1.687 30.674 32.500 -0.233 0.000 1.617 477 K HN 1.154 nan 8.250 nan 0.000 0.437 478 G N 0.800 109.642 108.800 0.070 0.000 2.382 478 G HA2 -0.393 3.567 3.960 0.000 0.000 0.259 478 G HA3 -0.393 3.567 3.960 0.000 0.000 0.259 478 G C 0.009 174.966 174.900 0.094 0.000 1.009 478 G CA 0.878 46.031 45.100 0.088 0.000 0.625 478 G HN 0.608 nan 8.290 nan 0.000 0.541 479 E N 0.987 121.260 120.200 0.121 0.000 1.932 479 E HA 0.389 4.739 4.350 0.000 0.000 0.275 479 E C 0.344 177.008 176.600 0.107 0.000 1.159 479 E CA -0.487 55.985 56.400 0.121 0.000 0.905 479 E CB 1.169 30.970 29.700 0.169 0.000 1.059 479 E HN 0.170 nan 8.360 nan 0.000 0.400 480 V N 4.911 124.872 119.914 0.078 0.000 2.399 480 V HA -0.033 4.087 4.120 0.000 0.000 0.245 480 V C 0.223 176.346 176.094 0.048 0.000 1.089 480 V CA 0.323 62.661 62.300 0.063 0.000 1.196 480 V CB -0.279 31.578 31.823 0.057 0.000 1.221 480 V HN 0.334 nan 8.190 nan 0.000 0.482 481 V N 3.775 123.719 119.914 0.050 0.000 2.715 481 V HA 0.393 4.513 4.120 0.000 0.000 0.310 481 V C 0.863 176.971 176.094 0.023 0.000 1.054 481 V CA -0.571 61.743 62.300 0.023 0.000 0.928 481 V CB 2.283 34.103 31.823 -0.005 0.000 1.007 481 V HN 0.747 nan 8.190 nan 0.000 0.437 482 D N 3.979 124.386 120.400 0.011 0.000 2.348 482 D HA 0.140 4.780 4.640 0.000 0.000 0.248 482 D C 0.253 176.562 176.300 0.015 0.000 1.142 482 D CA 0.615 54.625 54.000 0.017 0.000 0.904 482 D CB 0.443 41.251 40.800 0.013 0.000 0.901 482 D HN 0.558 nan 8.370 nan 0.000 0.523 483 A N 0.806 123.624 122.820 -0.004 0.000 2.343 483 A HA 0.548 4.868 4.320 0.000 0.000 0.316 483 A C -0.692 176.872 177.584 -0.033 0.000 1.104 483 A CA -0.570 51.447 52.037 -0.033 0.000 0.768 483 A CB 1.541 20.478 19.000 -0.106 0.000 1.213 483 A HN -0.010 nan 8.150 nan 0.000 0.456 484 I N 3.766 124.320 120.570 -0.026 0.000 2.411 484 I HA 0.317 4.487 4.170 0.000 0.000 0.284 484 I C -0.116 175.896 176.117 -0.175 0.000 1.012 484 I CA -0.713 60.519 61.300 -0.114 0.000 1.119 484 I CB 1.171 39.008 38.000 -0.272 0.000 1.261 484 I HN 0.456 nan 8.210 nan 0.000 0.448 485 V N 6.085 125.922 119.914 -0.128 0.000 2.250 485 V HA 0.423 4.543 4.120 0.000 0.000 0.268 485 V C -2.180 173.917 176.094 0.004 0.000 1.043 485 V CA -1.611 60.634 62.300 -0.090 0.000 0.814 485 V CB 1.083 32.818 31.823 -0.146 0.000 1.072 485 V HN 0.326 nan 8.190 nan 0.000 0.451 486 P HA -0.153 nan 4.420 nan 0.000 0.213 486 P C 1.943 179.255 177.300 0.020 0.000 1.170 486 P CA 2.806 65.877 63.100 -0.049 0.000 0.902 486 P CB 0.224 31.911 31.700 -0.022 0.000 0.789 487 A N -0.700 122.134 122.820 0.023 0.000 2.032 487 A HA -0.210 4.110 4.320 0.000 0.000 0.221 487 A C 2.097 179.704 177.584 0.039 0.000 1.165 487 A CA 2.569 54.621 52.037 0.024 0.000 0.645 487 A CB -1.927 17.082 19.000 0.016 0.000 0.807 487 A HN 0.388 nan 8.150 nan 0.000 0.453 488 T N -3.088 111.509 114.554 0.071 0.000 3.043 488 T HA 0.045 4.395 4.350 0.000 0.000 0.263 488 T C 1.567 176.351 174.700 0.141 0.000 1.094 488 T CA 0.922 63.088 62.100 0.109 0.000 1.127 488 T CB -0.414 68.540 68.868 0.143 0.000 0.905 488 T HN 0.100 nan 8.240 nan 0.000 0.490 489 V N 0.931 120.925 119.914 0.133 0.000 2.469 489 V HA -0.025 4.095 4.120 0.000 0.000 0.251 489 V C 1.591 177.676 176.094 -0.015 0.000 1.064 489 V CA 0.776 63.078 62.300 0.003 0.000 1.066 489 V CB -1.073 30.724 31.823 -0.043 0.000 0.667 489 V HN 0.498 nan 8.190 nan 0.000 0.461 490 M N 0.653 120.258 119.600 0.009 0.000 2.240 490 M HA 0.263 4.743 4.480 0.000 0.000 0.346 490 M C 1.020 177.321 176.300 0.002 0.000 1.236 490 M CA 0.821 56.123 55.300 0.005 0.000 0.986 490 M CB -0.497 32.107 32.600 0.007 0.000 1.786 490 M HN 0.516 nan 8.290 nan 0.000 0.457 491 A N 3.746 126.566 122.820 -0.001 0.000 2.799 491 A HA -0.237 4.083 4.320 0.000 0.000 0.274 491 A C 0.533 178.113 177.584 -0.007 0.000 1.393 491 A CA 1.629 53.665 52.037 -0.002 0.000 0.909 491 A CB -2.432 16.570 19.000 0.002 0.000 1.012 491 A HN 0.912 nan 8.150 nan 0.000 0.653 492 N N -0.351 118.338 118.700 -0.018 0.000 2.351 492 N HA 0.128 4.868 4.740 0.000 0.000 0.254 492 N C -0.609 174.873 175.510 -0.047 0.000 1.241 492 N CA 0.074 53.106 53.050 -0.029 0.000 0.883 492 N CB 0.638 39.108 38.487 -0.028 0.000 1.202 492 N HN 0.626 nan 8.380 nan 0.000 0.512 493 Q N 0.781 120.561 119.800 -0.033 0.000 2.263 493 Q HA 0.195 4.535 4.340 0.000 0.000 0.262 493 Q C -0.222 175.771 176.000 -0.012 0.000 0.984 493 Q CA -0.309 55.476 55.803 -0.029 0.000 0.813 493 Q CB 2.132 30.848 28.738 -0.038 0.000 1.299 493 Q HN 0.193 nan 8.270 nan 0.000 0.428 494 T N -1.773 112.775 114.554 -0.009 0.000 2.899 494 T HA 0.337 4.687 4.350 0.000 0.000 0.284 494 T C 1.221 175.924 174.700 0.005 0.000 1.004 494 T CA -0.318 61.781 62.100 -0.003 0.000 1.043 494 T CB 1.097 69.962 68.868 -0.005 0.000 1.013 494 T HN 0.331 nan 8.240 nan 0.000 0.518 495 S N 0.416 116.120 115.700 0.007 0.000 2.370 495 S HA -0.134 4.336 4.470 0.000 0.000 0.226 495 S C 1.991 176.604 174.600 0.021 0.000 1.033 495 S CA 0.952 59.159 58.200 0.012 0.000 1.011 495 S CB -0.481 62.724 63.200 0.008 0.000 0.852 495 S HN 0.798 nan 8.310 nan 0.000 0.457 496 E N 1.159 121.368 120.200 0.016 0.000 2.114 496 E HA -0.208 4.142 4.350 0.000 0.000 0.199 496 E C 1.991 178.611 176.600 0.034 0.000 1.008 496 E CA 1.310 57.723 56.400 0.022 0.000 0.810 496 E CB -0.170 29.535 29.700 0.008 0.000 0.739 496 E HN 0.619 nan 8.360 nan 0.000 0.456 497 E N -0.415 119.799 120.200 0.023 0.000 2.047 497 E HA -0.128 4.222 4.350 0.000 0.000 0.191 497 E C 2.263 178.897 176.600 0.057 0.000 0.987 497 E CA 1.202 57.618 56.400 0.028 0.000 0.799 497 E CB 0.087 29.788 29.700 0.003 0.000 0.752 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 V N 1.673 121.614 119.914 0.045 0.000 2.252 498 V HA -0.340 3.780 4.120 0.000 0.000 0.249 498 V C 2.410 178.565 176.094 0.102 0.000 1.056 498 V CA 2.033 64.367 62.300 0.057 0.000 1.022 498 V CB -1.031 30.814 31.823 0.036 0.000 0.641 498 V HN 0.340 nan 8.190 nan 0.000 0.445 499 A N 1.041 123.917 122.820 0.094 0.000 1.892 499 A HA -0.281 4.039 4.320 0.000 0.000 0.218 499 A C 2.578 180.320 177.584 0.263 0.000 1.188 499 A CA 2.944 55.057 52.037 0.126 0.000 0.631 499 A CB -1.001 18.047 19.000 0.080 0.000 0.822 499 A HN 0.756 nan 8.150 nan 0.000 0.447 500 S N 0.501 116.350 115.700 0.249 0.000 2.368 500 S HA 0.176 4.646 4.470 0.000 0.000 0.225 500 S C 1.302 176.188 174.600 0.476 0.000 1.030 500 S CA 0.666 59.059 58.200 0.322 0.000 0.999 500 S CB -1.198 62.062 63.200 0.100 0.000 0.844 500 S HN 1.354 nan 8.310 nan 0.000 0.459 501 A N 2.171 125.191 122.820 0.334 0.000 2.587 501 A HA 0.333 4.653 4.320 0.000 0.000 0.233 501 A C 0.462 178.230 177.584 0.307 0.000 1.049 501 A CA -0.135 52.080 52.037 0.295 0.000 0.754 501 A CB -0.493 18.599 19.000 0.154 0.000 0.977 501 A HN 0.606 nan 8.150 nan 0.000 0.509 502 L N 1.857 123.144 121.223 0.107 0.000 2.483 502 L HA 0.090 4.430 4.340 0.000 0.000 0.276 502 L C 1.955 178.872 176.870 0.079 0.000 1.213 502 L CA 0.217 55.024 54.840 -0.055 0.000 0.843 502 L CB 0.200 42.098 42.059 -0.269 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 0.106 0.000 1.971 503 A HA -0.262 4.058 4.320 0.000 0.000 0.222 503 A C 1.804 179.416 177.584 0.046 0.000 1.182 503 A CA 2.212 54.295 52.037 0.076 0.000 0.649 503 A CB -0.682 18.353 19.000 0.057 0.000 0.818 503 A HN 0.939 nan 8.150 nan 0.000 0.458 504 N N 0.559 119.273 118.700 0.023 0.000 2.535 504 N HA -0.060 4.680 4.740 0.000 0.000 0.203 504 N C -0.971 174.564 175.510 0.042 0.000 1.301 504 N CA 0.370 53.437 53.050 0.029 0.000 0.859 504 N CB -0.335 38.153 38.487 0.003 0.000 1.055 504 N HN 0.455 nan 8.380 nan 0.000 0.457 505 D N -0.494 119.933 120.400 0.045 0.000 2.502 505 D HA 0.258 4.898 4.640 0.000 0.000 0.249 505 D C 0.851 177.164 176.300 0.022 0.000 1.092 505 D CA -0.298 53.723 54.000 0.035 0.000 0.839 505 D CB 2.155 42.970 40.800 0.025 0.000 1.264 505 D HN 0.111 nan 8.370 nan 0.000 0.511 506 A N 4.869 127.692 122.820 0.005 0.000 1.941 506 A HA -0.313 4.007 4.320 0.000 0.000 0.233 506 A C 2.185 179.740 177.584 -0.050 0.000 1.649 506 A CA 2.461 54.470 52.037 -0.046 0.000 0.726 506 A CB -1.020 17.952 19.000 -0.047 0.000 0.843 506 A HN 0.789 nan 8.150 nan 0.000 0.511 507 I N -0.120 120.421 120.570 -0.047 0.000 2.103 507 I HA -0.328 3.842 4.170 0.000 0.000 0.241 507 I C 2.418 178.544 176.117 0.015 0.000 1.036 507 I CA 2.932 64.221 61.300 -0.019 0.000 1.300 507 I CB -2.316 35.674 38.000 -0.016 0.000 1.010 507 I HN 0.565 nan 8.210 nan 0.000 0.406 508 V N -0.415 119.514 119.914 0.025 0.000 2.667 508 V HA -0.095 4.025 4.120 0.000 0.000 0.252 508 V C 2.651 178.750 176.094 0.008 0.000 1.065 508 V CA 1.123 63.436 62.300 0.023 0.000 1.083 508 V CB -1.084 30.754 31.823 0.026 0.000 0.692 508 V HN 0.429 nan 8.190 nan 0.000 0.468 509 L N 0.200 121.453 121.223 0.050 0.000 2.046 509 L HA -0.082 4.258 4.340 0.000 0.000 0.208 509 L C 2.678 179.568 176.870 0.034 0.000 1.077 509 L CA 1.491 56.386 54.840 0.091 0.000 0.747 509 L CB -0.813 41.444 42.059 0.330 0.000 0.896 509 L HN 0.244 nan 8.230 nan 0.000 0.432 510 V N -1.291 118.738 119.914 0.191 0.000 2.270 510 V HA -0.279 3.841 4.120 0.000 0.000 0.245 510 V C 2.669 178.835 176.094 0.121 0.000 1.043 510 V CA 2.008 64.458 62.300 0.251 0.000 1.014 510 V CB -0.607 31.295 31.823 0.132 0.000 0.645 510 V HN 0.408 nan 8.190 nan 0.000 0.447 511 S N 0.377 116.115 115.700 0.064 0.000 2.374 511 S HA -0.262 4.208 4.470 0.000 0.000 0.227 511 S C 1.902 176.508 174.600 0.010 0.000 1.037 511 S CA 2.172 60.409 58.200 0.061 0.000 1.024 511 S CB -0.531 62.695 63.200 0.044 0.000 0.861 511 S HN 0.674 nan 8.310 nan 0.000 0.456 512 N N 0.588 119.227 118.700 -0.102 0.000 2.104 512 N HA -0.085 4.655 4.740 0.000 0.000 0.190 512 N C 1.445 176.873 175.510 -0.137 0.000 1.024 512 N CA 1.825 54.779 53.050 -0.160 0.000 0.853 512 N CB -0.572 37.760 38.487 -0.258 0.000 1.008 512 N HN 0.651 nan 8.380 nan 0.000 0.424 513 H N -0.104 119.026 119.070 0.099 0.000 2.321 513 H HA 0.013 4.569 4.556 0.000 0.000 0.300 513 H C 1.895 177.287 175.328 0.106 0.000 1.087 513 H CA 0.946 57.041 56.048 0.078 0.000 1.319 513 H CB -0.159 29.652 29.762 0.083 0.000 1.379 513 H HN 0.085 nan 8.280 nan 0.000 0.501 514 L N 0.550 121.906 121.223 0.221 0.000 2.189 514 L HA -0.234 4.106 4.340 0.000 0.000 0.214 514 L C 1.749 178.779 176.870 0.268 0.000 1.097 514 L CA 1.177 56.176 54.840 0.265 0.000 0.764 514 L CB -0.327 41.916 42.059 0.308 0.000 0.900 514 L HN 0.356 nan 8.230 nan 0.000 0.436 515 N N -0.167 118.619 118.700 0.144 0.000 2.188 515 N HA -0.141 4.599 4.740 0.000 0.000 0.184 515 N C 1.671 177.230 175.510 0.081 0.000 1.018 515 N CA 0.950 54.047 53.050 0.078 0.000 0.858 515 N CB -0.016 38.488 38.487 0.028 0.000 0.989 515 N HN 0.287 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 1.805 178.465 176.600 0.099 0.000 1.049 516 K CA 0.728 57.068 56.287 0.088 0.000 0.931 516 K CB -0.291 32.265 32.500 0.093 0.000 0.714 516 K HN 0.094 nan 8.250 nan 0.000 0.440 517 L N 1.538 122.843 121.223 0.137 0.000 1.989 517 L HA -0.204 4.136 4.340 0.000 0.000 0.211 517 L C 2.344 179.322 176.870 0.180 0.000 1.071 517 L CA 2.001 56.932 54.840 0.152 0.000 0.749 517 L CB -0.735 41.433 42.059 0.182 0.000 0.890 517 L HN 0.171 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 -0.347 3.973 4.320 0.000 0.000 0.219 518 A C 2.188 179.810 177.584 0.063 0.000 1.182 518 A CA 2.300 54.418 52.037 0.135 0.000 0.633 518 A CB -1.234 17.758 19.000 -0.014 0.000 0.819 518 A HN 0.686 nan 8.150 nan 0.000 0.448 519 N N -0.550 118.181 118.700 0.052 0.000 2.069 519 N HA -0.148 4.592 4.740 0.000 0.000 0.191 519 N C 1.510 177.044 175.510 0.039 0.000 1.031 519 N CA 1.776 54.846 53.050 0.034 0.000 0.852 519 N CB -0.236 38.270 38.487 0.032 0.000 1.018 519 N HN 0.203 nan 8.380 nan 0.000 0.423 520 V N -0.136 119.810 119.914 0.053 0.000 2.261 520 V HA -0.228 3.892 4.120 0.000 0.000 0.246 520 V C 2.190 178.315 176.094 0.052 0.000 1.047 520 V CA 1.637 63.967 62.300 0.050 0.000 1.015 520 V CB -0.563 31.294 31.823 0.056 0.000 0.642 520 V HN 0.218 nan 8.190 nan 0.000 0.446 521 V N 0.989 120.946 119.914 0.071 0.000 2.343 521 V HA -0.165 3.955 4.120 0.000 0.000 0.247 521 V C 2.634 178.762 176.094 0.057 0.000 1.051 521 V CA 2.169 64.515 62.300 0.077 0.000 1.036 521 V CB -1.688 30.204 31.823 0.114 0.000 0.654 521 V HN 0.581 nan 8.190 nan 0.000 0.451 522 G N -0.730 108.097 108.800 0.044 0.000 2.408 522 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 522 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 522 G C 1.344 176.258 174.900 0.024 0.000 1.150 522 G CA 0.885 46.002 45.100 0.028 0.000 0.776 522 G HN 0.494 nan 8.290 nan 0.000 0.542 523 D N 0.333 120.747 120.400 0.024 0.000 2.194 523 D HA 0.080 4.720 4.640 0.000 0.000 0.204 523 D C 2.605 178.918 176.300 0.022 0.000 0.964 523 D CA 1.046 55.058 54.000 0.020 0.000 0.846 523 D CB 0.266 41.077 40.800 0.018 0.000 0.962 523 D HN 0.348 nan 8.370 nan 0.000 0.490 524 A N -0.055 122.782 122.820 0.028 0.000 1.963 524 A HA 0.172 4.492 4.320 0.000 0.000 0.207 524 A C 0.929 178.533 177.584 0.033 0.000 1.243 524 A CA 0.093 52.147 52.037 0.029 0.000 0.728 524 A CB 0.419 19.437 19.000 0.029 0.000 0.895 524 A HN 0.016 nan 8.150 nan 0.000 0.467 525 I N 1.319 121.913 120.570 0.041 0.000 2.392 525 I HA 0.313 4.483 4.170 0.000 0.000 0.295 525 I C -2.208 173.936 176.117 0.045 0.000 0.985 525 I CA -2.281 59.047 61.300 0.047 0.000 1.221 525 I CB 1.780 39.816 38.000 0.060 0.000 1.366 525 I HN 0.042 nan 8.210 nan 0.000 0.467 526 P HA 0.048 nan 4.420 nan 0.000 0.231 526 P C 0.353 177.679 177.300 0.044 0.000 1.811 526 P CA 0.002 63.124 63.100 0.036 0.000 1.051 526 P CB -0.053 31.664 31.700 0.028 0.000 1.951 527 V N -1.086 118.856 119.914 0.047 0.000 3.252 527 V HA 0.486 4.606 4.120 0.000 0.000 0.350 527 V C 0.968 177.083 176.094 0.035 0.000 1.329 527 V CA -0.241 62.089 62.300 0.051 0.000 1.258 527 V CB -0.705 31.159 31.823 0.067 0.000 1.208 527 V HN 0.237 nan 8.190 nan 0.000 0.462 528 A N 0.658 123.495 122.820 0.027 0.000 2.645 528 A HA 0.436 4.756 4.320 0.000 0.000 0.245 528 A C 1.357 178.950 177.584 0.016 0.000 1.758 528 A CA 0.395 52.443 52.037 0.018 0.000 0.850 528 A CB -0.613 18.396 19.000 0.015 0.000 1.656 528 A HN 0.498 nan 8.150 nan 0.000 0.641 529 S N 1.218 116.925 115.700 0.011 0.000 3.597 529 S HA 0.141 4.611 4.470 0.000 0.000 0.208 529 S C 0.478 175.085 174.600 0.012 0.000 1.091 529 S CA 0.936 59.142 58.200 0.010 0.000 1.103 529 S CB -1.105 62.099 63.200 0.006 0.000 1.369 529 S HN 0.724 nan 8.310 nan 0.000 0.447 530 R N -2.390 118.121 120.500 0.018 0.000 2.596 530 R HA -0.111 4.229 4.340 0.000 0.000 0.496 530 R C -0.506 175.807 176.300 0.022 0.000 0.691 530 R CA 0.441 56.554 56.100 0.021 0.000 1.213 530 R CB -2.957 27.353 30.300 0.017 0.000 2.014 530 R HN 0.434 nan 8.270 nan 0.000 0.392 531 T N -0.465 114.103 114.554 0.023 0.000 2.978 531 T HA 0.241 4.591 4.350 0.000 0.000 0.278 531 T C -0.088 174.633 174.700 0.034 0.000 0.945 531 T CA -0.196 61.917 62.100 0.021 0.000 1.070 531 T CB 1.130 70.008 68.868 0.016 0.000 0.948 531 T HN 0.176 nan 8.240 nan 0.000 0.617 532 D N 2.885 123.301 120.400 0.026 0.000 2.344 532 D HA 0.230 4.870 4.640 0.000 0.000 0.253 532 D C -0.539 175.757 176.300 -0.007 0.000 1.255 532 D CA -0.148 53.876 54.000 0.040 0.000 0.894 532 D CB 0.639 41.448 40.800 0.016 0.000 1.067 532 D HN 0.665 nan 8.370 nan 0.000 0.492 533 D N 0.846 121.274 120.400 0.045 0.000 2.256 533 D HA 0.150 4.790 4.640 0.000 0.000 0.246 533 D C 1.286 177.641 176.300 0.091 0.000 1.042 533 D CA -0.505 53.514 54.000 0.031 0.000 0.841 533 D CB 1.303 42.124 40.800 0.034 0.000 1.223 533 D HN 0.182 nan 8.370 nan 0.000 0.470 534 S N 2.936 118.640 115.700 0.006 0.000 2.443 534 S HA -0.374 4.096 4.470 0.000 0.000 0.246 534 S C 2.106 176.844 174.600 0.228 0.000 1.058 534 S CA 1.400 59.665 58.200 0.107 0.000 1.028 534 S CB -0.747 62.469 63.200 0.027 0.000 0.821 534 S HN 0.584 nan 8.310 nan 0.000 0.484 535 A N 2.153 125.065 122.820 0.154 0.000 1.971 535 A HA -0.163 4.157 4.320 0.000 0.000 0.222 535 A C 2.537 180.230 177.584 0.182 0.000 1.182 535 A CA 2.544 54.668 52.037 0.145 0.000 0.649 535 A CB -2.017 17.044 19.000 0.102 0.000 0.818 535 A HN 1.054 nan 8.150 nan 0.000 0.458 536 T N -1.470 113.240 114.554 0.260 0.000 3.163 536 T HA -0.005 4.345 4.350 0.000 0.000 0.260 536 T C 1.501 176.291 174.700 0.150 0.000 1.156 536 T CA 1.203 63.446 62.100 0.239 0.000 1.072 536 T CB -0.732 68.327 68.868 0.318 0.000 0.937 536 T HN 0.590 nan 8.240 nan 0.000 0.528 537 S N 1.540 117.395 115.700 0.258 0.000 2.442 537 S HA 0.087 4.557 4.470 0.000 0.000 0.236 537 S C 2.396 176.932 174.600 -0.105 0.000 1.007 537 S CA 0.522 58.773 58.200 0.084 0.000 0.965 537 S CB -0.681 62.723 63.200 0.340 0.000 0.773 537 S HN 0.738 nan 8.310 nan 0.000 0.504 538 A N 3.330 126.128 122.820 -0.037 0.000 1.865 538 A HA -0.063 4.257 4.320 0.000 0.000 0.217 538 A C 2.281 179.804 177.584 -0.102 0.000 1.191 538 A CA 1.692 53.699 52.037 -0.050 0.000 0.623 538 A CB -0.988 18.002 19.000 -0.017 0.000 0.826 538 A HN 0.730 nan 8.150 nan 0.000 0.444 539 I N -1.901 118.594 120.570 -0.126 0.000 2.394 539 I HA -0.126 4.044 4.170 0.000 0.000 0.251 539 I C 1.907 177.884 176.117 -0.234 0.000 1.136 539 I CA 1.606 62.813 61.300 -0.154 0.000 1.425 539 I CB -0.806 37.123 38.000 -0.118 0.000 1.079 539 I HN 0.083 nan 8.210 nan 0.000 0.425 540 V N 1.489 121.168 119.914 -0.392 0.000 2.453 540 V HA -0.173 3.947 4.120 0.000 0.000 0.247 540 V C 2.731 178.612 176.094 -0.355 0.000 1.048 540 V CA 2.065 64.044 62.300 -0.536 0.000 1.049 540 V CB -0.812 30.308 31.823 -1.173 0.000 0.672 540 V HN 0.443 nan 8.190 nan 0.000 0.457 541 S N -0.060 115.490 115.700 -0.250 0.000 2.382 541 S HA -0.203 4.267 4.470 0.000 0.000 0.228 541 S C 2.134 176.683 174.600 -0.085 0.000 1.027 541 S CA 1.436 59.568 58.200 -0.114 0.000 0.991 541 S CB -0.337 62.827 63.200 -0.061 0.000 0.823 541 S HN 0.413 nan 8.310 nan 0.000 0.469 542 R N 1.418 121.861 120.500 -0.095 0.000 2.075 542 R HA 0.156 4.496 4.340 0.000 0.000 0.232 542 R C 2.070 178.327 176.300 -0.072 0.000 1.126 542 R CA 1.105 57.163 56.100 -0.071 0.000 0.963 542 R CB -0.917 29.341 30.300 -0.070 0.000 0.858 542 R HN 0.382 nan 8.270 nan 0.000 0.435 543 L N -0.471 120.687 121.223 -0.108 0.000 2.042 543 L HA -0.173 4.167 4.340 0.000 0.000 0.210 543 L C 2.332 179.162 176.870 -0.068 0.000 1.076 543 L CA 1.528 56.309 54.840 -0.097 0.000 0.749 543 L CB -0.543 41.423 42.059 -0.154 0.000 0.893 543 L HN 0.295 nan 8.230 nan 0.000 0.432 544 A N -0.580 122.170 122.820 -0.117 0.000 1.902 544 A HA -0.157 4.163 4.320 0.000 0.000 0.217 544 A C 2.189 179.760 177.584 -0.021 0.000 1.181 544 A CA 1.979 53.960 52.037 -0.095 0.000 0.623 544 A CB -0.721 18.186 19.000 -0.155 0.000 0.818 544 A HN 0.266 nan 8.150 nan 0.000 0.443 545 V N -0.473 119.428 119.914 -0.021 0.000 2.591 545 V HA -0.232 3.888 4.120 0.000 0.000 0.249 545 V C 2.407 178.489 176.094 -0.020 0.000 1.053 545 V CA 1.731 64.023 62.300 -0.013 0.000 1.068 545 V CB -1.055 30.763 31.823 -0.007 0.000 0.689 545 V HN 0.598 nan 8.190 nan 0.000 0.462 546 Q N -0.164 119.628 119.800 -0.013 0.000 2.181 546 Q HA -0.238 4.102 4.340 0.000 0.000 0.205 546 Q C 1.956 177.955 176.000 -0.002 0.000 0.980 546 Q CA 1.618 57.417 55.803 -0.007 0.000 0.862 546 Q CB -0.300 28.436 28.738 -0.002 0.000 0.905 546 Q HN 0.688 nan 8.270 nan 0.000 0.429 547 H N 0.889 119.930 119.070 -0.049 0.000 2.611 547 H HA 0.088 4.644 4.556 0.000 0.000 0.283 547 H C -0.149 175.162 175.328 -0.029 0.000 1.075 547 H CA 0.436 56.459 56.048 -0.043 0.000 1.184 547 H CB -0.254 29.472 29.762 -0.060 0.000 1.294 547 H HN -0.160 nan 8.280 nan 0.000 0.619 548 K N 0.866 121.120 120.400 -0.245 0.000 2.502 548 K HA 0.122 4.442 4.320 0.000 0.000 0.244 548 K C -0.752 175.733 176.600 -0.192 0.000 1.249 548 K CA -0.244 55.910 56.287 -0.221 0.000 1.193 548 K CB -0.884 31.553 32.500 -0.106 0.000 1.674 548 K HN 0.157 nan 8.250 nan 0.000 0.302 549 L N 1.667 122.713 121.223 -0.296 0.000 2.384 549 L HA 0.173 4.513 4.340 0.000 0.000 0.258 549 L C 0.115 176.912 176.870 -0.121 0.000 1.266 549 L CA 0.230 54.964 54.840 -0.176 0.000 1.162 549 L CB 0.211 42.184 42.059 -0.144 0.000 1.375 549 L HN 0.262 nan 8.230 nan 0.000 0.420 550 S N 1.090 116.739 115.700 -0.085 0.000 2.489 550 S HA 0.672 5.142 4.470 0.000 0.000 0.291 550 S C 0.048 174.627 174.600 -0.036 0.000 1.151 550 S CA -0.581 57.586 58.200 -0.056 0.000 1.082 550 S CB 1.168 64.341 63.200 -0.044 0.000 1.019 550 S HN 0.549 nan 8.310 nan 0.000 0.492 551 Q N 1.333 121.118 119.800 -0.025 0.000 3.182 551 Q HA 0.557 4.897 4.340 0.000 0.000 0.212 551 Q C -0.572 175.420 176.000 -0.012 0.000 1.099 551 Q CA -0.669 55.124 55.803 -0.016 0.000 0.680 551 Q CB 0.033 28.764 28.738 -0.011 0.000 3.554 551 Q HN 0.622 nan 8.270 nan 0.000 0.361 552 V N -1.174 118.736 119.914 -0.008 0.000 2.427 552 V HA 0.850 4.970 4.120 0.000 0.000 0.286 552 V C 0.597 176.689 176.094 -0.003 0.000 1.034 552 V CA 0.398 62.695 62.300 -0.005 0.000 0.893 552 V CB 0.190 32.011 31.823 -0.004 0.000 0.982 552 V HN 0.912 nan 8.190 nan 0.000 0.452 553 G N 3.370 112.169 108.800 -0.002 0.000 2.652 553 G HA2 -0.297 3.663 3.960 0.000 0.000 0.278 553 G HA3 -0.297 3.663 3.960 0.000 0.000 0.278 553 G C 0.383 175.284 174.900 0.001 0.000 1.263 553 G CA 0.569 45.669 45.100 -0.000 0.000 0.966 553 G HN 1.349 nan 8.290 nan 0.000 0.544 554 Q N 2.318 122.120 119.800 0.002 0.000 2.534 554 Q HA 0.543 4.883 4.340 0.000 0.000 0.223 554 Q C 0.808 176.809 176.000 0.002 0.000 1.239 554 Q CA 0.485 56.291 55.803 0.004 0.000 0.936 554 Q CB -0.097 28.645 28.738 0.007 0.000 1.457 554 Q HN 1.131 nan 8.270 nan 0.000 0.547 555 A N 2.963 125.782 122.820 -0.002 0.000 2.346 555 A HA 0.077 4.397 4.320 0.000 0.000 0.255 555 A C 0.321 177.904 177.584 -0.000 0.000 1.113 555 A CA -0.015 52.017 52.037 -0.009 0.000 0.798 555 A CB 0.290 19.276 19.000 -0.022 0.000 1.073 555 A HN 0.769 nan 8.150 nan 0.000 0.502 556 S N 1.387 117.083 115.700 -0.006 0.000 3.106 556 S HA 0.133 4.603 4.470 0.000 0.000 0.363 556 S C -1.821 172.809 174.600 0.050 0.000 1.191 556 S CA -0.476 57.740 58.200 0.026 0.000 1.191 556 S CB -0.326 62.891 63.200 0.029 0.000 0.884 556 S HN 0.476 nan 8.310 nan 0.000 0.526 557 P HA 0.202 nan 4.420 nan 0.000 0.225 557 P C -0.913 176.429 177.300 0.071 0.000 1.830 557 P CA -0.509 62.624 63.100 0.055 0.000 1.051 557 P CB -0.200 31.522 31.700 0.037 0.000 1.929 558 T N 2.899 117.516 114.554 0.105 0.000 2.794 558 T HA 0.280 4.630 4.350 0.000 0.000 0.304 558 T C -2.270 172.482 174.700 0.086 0.000 0.973 558 T CA -1.611 60.558 62.100 0.115 0.000 0.972 558 T CB -0.193 68.816 68.868 0.236 0.000 0.952 558 T HN 0.157 nan 8.240 nan 0.000 0.509 559 P HA 0.138 nan 4.420 nan 0.000 0.258 559 P C -2.289 175.065 177.300 0.091 0.000 1.187 559 P CA -1.002 62.141 63.100 0.071 0.000 0.767 559 P CB -0.564 31.169 31.700 0.056 0.000 0.770 560 P HA -0.176 nan 4.420 nan 0.000 0.265 560 P C 0.254 177.635 177.300 0.134 0.000 1.151 560 P CA 0.683 63.907 63.100 0.205 0.000 0.755 560 P CB 0.365 32.283 31.700 0.362 0.000 0.756 561 D N 1.391 121.691 120.400 -0.166 0.000 2.347 561 D HA -0.233 4.407 4.640 0.000 0.000 0.208 561 D C 1.256 177.296 176.300 -0.434 0.000 0.994 561 D CA 1.600 55.332 54.000 -0.446 0.000 0.924 561 D CB -0.599 39.850 40.800 -0.584 0.000 0.892 561 D HN 0.554 nan 8.370 nan 0.000 0.471 562 Y N -0.071 120.341 120.300 0.187 0.000 2.242 562 Y HA -0.033 4.517 4.550 0.000 0.000 0.291 562 Y C -0.386 175.723 175.900 0.349 0.000 1.137 562 Y CA 0.524 58.830 58.100 0.344 0.000 1.181 562 Y CB -1.717 36.909 38.460 0.276 0.000 0.989 562 Y HN 0.228 nan 8.280 nan 0.000 0.527 563 P HA -0.054 nan 4.420 nan 0.000 0.212 563 P C 1.660 179.057 177.300 0.162 0.000 1.171 563 P CA 1.139 64.351 63.100 0.186 0.000 0.892 563 P CB -0.034 31.733 31.700 0.112 0.000 0.769 564 L N -0.911 120.359 121.223 0.078 0.000 1.980 564 L HA -0.249 4.091 4.340 0.000 0.000 0.232 564 L C 2.689 179.552 176.870 -0.012 0.000 1.092 564 L CA 1.768 56.616 54.840 0.014 0.000 0.808 564 L CB -1.687 40.353 42.059 -0.030 0.000 0.908 564 L HN -0.092 nan 8.230 nan 0.000 0.442 565 L N -1.744 119.435 121.223 -0.073 0.000 2.141 565 L HA -0.196 4.144 4.340 0.000 0.000 0.209 565 L C 2.272 179.071 176.870 -0.117 0.000 1.094 565 L CA 1.416 56.177 54.840 -0.131 0.000 0.763 565 L CB -0.775 41.156 42.059 -0.213 0.000 0.908 565 L HN 0.377 nan 8.230 nan 0.000 0.437 566 W N 1.231 122.487 121.300 -0.075 0.000 2.318 566 W HA -0.218 4.441 4.660 0.000 0.000 0.313 566 W C 2.713 179.224 176.519 -0.013 0.000 1.221 566 W CA 1.761 59.090 57.345 -0.028 0.000 1.266 566 W CB -0.409 29.054 29.460 0.004 0.000 1.150 566 W HN 0.152 nan 8.180 nan 0.000 0.496 567 R N -0.489 120.149 120.500 0.230 0.000 2.075 567 R HA -0.111 4.229 4.340 0.000 0.000 0.232 567 R C 2.284 178.629 176.300 0.074 0.000 1.126 567 R CA 1.562 57.752 56.100 0.149 0.000 0.963 567 R CB -0.561 29.802 30.300 0.104 0.000 0.858 567 R HN 0.094 nan 8.270 nan 0.000 0.435 568 R N 0.724 121.241 120.500 0.027 0.000 2.091 568 R HA -0.118 4.222 4.340 0.000 0.000 0.238 568 R C 2.310 178.603 176.300 -0.012 0.000 1.136 568 R CA 1.662 57.758 56.100 -0.006 0.000 0.959 568 R CB -0.466 29.810 30.300 -0.041 0.000 0.856 568 R HN 0.222 nan 8.270 nan 0.000 0.437 569 A N 1.157 123.954 122.820 -0.037 0.000 1.968 569 A HA -0.151 4.169 4.320 0.000 0.000 0.217 569 A C 2.056 179.642 177.584 0.002 0.000 1.169 569 A CA 1.374 53.375 52.037 -0.060 0.000 0.638 569 A CB -0.254 18.642 19.000 -0.174 0.000 0.812 569 A HN 0.157 nan 8.150 nan 0.000 0.446 570 K N 0.231 120.669 120.400 0.064 0.000 2.026 570 K HA -0.133 4.187 4.320 0.000 0.000 0.208 570 K C 2.097 178.738 176.600 0.069 0.000 1.048 570 K CA 1.731 58.075 56.287 0.096 0.000 0.929 570 K CB -0.314 32.271 32.500 0.141 0.000 0.713 570 K HN 0.421 nan 8.250 nan 0.000 0.439 571 R N -0.282 120.251 120.500 0.054 0.000 2.112 571 R HA -0.198 4.142 4.340 0.000 0.000 0.242 571 R C 2.367 178.691 176.300 0.040 0.000 1.137 571 R CA 1.891 58.015 56.100 0.040 0.000 0.944 571 R CB -0.682 29.635 30.300 0.028 0.000 0.857 571 R HN 0.368 nan 8.270 nan 0.000 0.435 572 A N 0.685 123.528 122.820 0.038 0.000 1.969 572 A HA -0.032 4.288 4.320 0.000 0.000 0.218 572 A C 2.335 179.977 177.584 0.097 0.000 1.169 572 A CA 1.404 53.473 52.037 0.053 0.000 0.635 572 A CB -0.592 18.427 19.000 0.031 0.000 0.810 572 A HN 0.433 nan 8.150 nan 0.000 0.445 573 A N -0.568 122.309 122.820 0.096 0.000 1.892 573 A HA -0.186 4.134 4.320 0.000 0.000 0.218 573 A C 2.478 180.154 177.584 0.154 0.000 1.188 573 A CA 2.318 54.447 52.037 0.153 0.000 0.631 573 A CB -1.098 17.971 19.000 0.116 0.000 0.822 573 A HN 0.515 nan 8.150 nan 0.000 0.447 574 S N -1.344 114.407 115.700 0.085 0.000 2.353 574 S HA -0.213 4.257 4.470 0.000 0.000 0.222 574 S C 2.040 176.645 174.600 0.008 0.000 1.035 574 S CA 2.119 60.343 58.200 0.040 0.000 1.025 574 S CB -0.384 62.836 63.200 0.035 0.000 0.902 574 S HN 0.402 nan 8.310 nan 0.000 0.440 575 M N 0.614 120.230 119.600 0.026 0.000 2.082 575 M HA -0.022 4.458 4.480 0.000 0.000 0.258 575 M C 1.738 178.031 176.300 -0.013 0.000 1.069 575 M CA 1.391 56.698 55.300 0.012 0.000 1.102 575 M CB -1.171 31.452 32.600 0.038 0.000 1.336 575 M HN 0.482 nan 8.290 nan 0.000 0.404 576 F N 0.263 120.216 119.950 0.006 0.000 2.091 576 F HA -0.219 4.309 4.527 0.000 0.000 0.299 576 F C 2.096 177.903 175.800 0.012 0.000 1.103 576 F CA 1.566 59.572 58.000 0.009 0.000 1.228 576 F CB -0.750 38.256 39.000 0.010 0.000 0.984 576 F HN -0.042 nan 8.300 nan 0.000 0.477 577 V N 0.535 120.140 119.914 -0.515 0.000 2.287 577 V HA -0.335 3.785 4.120 0.000 0.000 0.248 577 V C 2.684 178.596 176.094 -0.303 0.000 1.053 577 V CA 2.193 64.247 62.300 -0.411 0.000 1.027 577 V CB -1.517 30.230 31.823 -0.127 0.000 0.646 577 V HN 0.573 nan 8.190 nan 0.000 0.447 578 S N -0.193 115.392 115.700 -0.193 0.000 2.400 578 S HA -0.155 4.315 4.470 0.000 0.000 0.232 578 S C 1.038 175.556 174.600 -0.137 0.000 1.025 578 S CA 1.514 59.634 58.200 -0.133 0.000 0.993 578 S CB -0.292 62.861 63.200 -0.078 0.000 0.808 578 S HN 0.618 nan 8.310 nan 0.000 0.478 579 N N 0.606 119.195 118.700 -0.184 0.000 2.629 579 N HA 0.340 5.080 4.740 0.000 0.000 0.277 579 N C -2.902 172.475 175.510 -0.222 0.000 1.188 579 N CA -1.637 51.316 53.050 -0.162 0.000 0.835 579 N CB 1.789 40.227 38.487 -0.080 0.000 1.420 579 N HN -0.176 nan 8.380 nan 0.000 0.542 580 P HA -0.165 nan 4.420 nan 0.000 0.216 580 P C 1.403 178.764 177.300 0.103 0.000 1.150 580 P CA 1.507 64.490 63.100 -0.196 0.000 0.843 580 P CB 0.258 31.902 31.700 -0.093 0.000 0.787 581 S N -0.593 115.132 115.700 0.040 0.000 2.419 581 S HA -0.177 4.293 4.470 0.000 0.000 0.235 581 S C 1.883 176.529 174.600 0.077 0.000 1.019 581 S CA 1.106 59.344 58.200 0.063 0.000 0.982 581 S CB -1.804 61.413 63.200 0.029 0.000 0.789 581 S HN 0.101 nan 8.310 nan 0.000 0.490 582 L N 1.300 122.568 121.223 0.075 0.000 2.197 582 L HA -0.178 4.162 4.340 0.000 0.000 0.215 582 L C 3.054 179.993 176.870 0.114 0.000 1.095 582 L CA 1.114 56.004 54.840 0.084 0.000 0.764 582 L CB -0.892 41.212 42.059 0.075 0.000 0.897 582 L HN 0.508 nan 8.230 nan 0.000 0.436 583 A N -0.085 122.843 122.820 0.180 0.000 1.972 583 A HA -0.123 4.197 4.320 0.000 0.000 0.219 583 A C 2.138 179.762 177.584 0.066 0.000 1.169 583 A CA 1.464 53.582 52.037 0.134 0.000 0.635 583 A CB -0.452 18.636 19.000 0.146 0.000 0.810 583 A HN 0.448 nan 8.150 nan 0.000 0.446 584 L N -1.127 120.136 121.223 0.067 0.000 2.529 584 L HA 0.080 4.420 4.340 0.000 0.000 0.223 584 L C 0.577 177.459 176.870 0.020 0.000 1.113 584 L CA 0.011 54.871 54.840 0.033 0.000 0.861 584 L CB -0.036 42.039 42.059 0.028 0.000 1.012 584 L HN 0.332 nan 8.230 nan 0.000 0.461 585 Q N 0.845 120.663 119.800 0.030 0.000 2.314 585 Q HA 0.222 4.562 4.340 0.000 0.000 0.257 585 Q C -0.216 175.793 176.000 0.016 0.000 0.975 585 Q CA -0.426 55.389 55.803 0.020 0.000 0.933 585 Q CB 2.170 30.921 28.738 0.021 0.000 1.195 585 Q HN -0.066 nan 8.270 nan 0.000 0.426 586 V N 3.303 123.221 119.914 0.007 0.000 2.832 586 V HA -0.086 4.034 4.120 0.000 0.000 0.299 586 V C 1.131 177.229 176.094 0.006 0.000 1.201 586 V CA 2.350 64.653 62.300 0.004 0.000 1.325 586 V CB -0.034 31.788 31.823 -0.001 0.000 0.871 586 V HN 1.086 nan 8.190 nan 0.000 0.509 587 G N 5.497 114.300 108.800 0.005 0.000 2.248 587 G HA2 -0.175 3.785 3.960 0.000 0.000 0.263 587 G HA3 -0.175 3.785 3.960 0.000 0.000 0.263 587 G C -0.312 174.592 174.900 0.007 0.000 1.082 587 G CA 0.021 45.124 45.100 0.004 0.000 0.863 587 G HN 0.654 nan 8.290 nan 0.000 0.495 588 I N 0.108 120.684 120.570 0.011 0.000 2.321 588 I HA 0.228 4.398 4.170 0.000 0.000 0.291 588 I C -0.391 175.732 176.117 0.010 0.000 0.998 588 I CA -2.278 59.031 61.300 0.016 0.000 1.227 588 I CB 1.140 39.158 38.000 0.029 0.000 1.368 588 I HN -0.123 nan 8.210 nan 0.000 0.466 589 P HA -0.241 nan 4.420 nan 0.000 0.212 589 P C 1.515 178.812 177.300 -0.005 0.000 1.128 589 P CA 1.938 65.037 63.100 -0.001 0.000 0.961 589 P CB 0.211 31.908 31.700 -0.004 0.000 0.782 590 V N -5.030 114.879 119.914 -0.008 0.000 3.523 590 V HA 0.129 4.249 4.120 0.000 0.000 0.255 590 V C 2.069 178.152 176.094 -0.018 0.000 1.226 590 V CA 0.577 62.867 62.300 -0.017 0.000 1.092 590 V CB -1.268 30.537 31.823 -0.031 0.000 0.817 590 V HN -0.029 nan 8.190 nan 0.000 0.458 591 L N 2.060 123.279 121.223 -0.006 0.000 2.201 591 L HA -0.083 4.257 4.340 0.000 0.000 0.212 591 L C 2.930 179.793 176.870 -0.012 0.000 1.105 591 L CA 1.856 56.690 54.840 -0.010 0.000 0.775 591 L CB -1.172 40.898 42.059 0.017 0.000 0.913 591 L HN 0.588 nan 8.230 nan 0.000 0.440 592 T N -3.108 111.444 114.554 -0.003 0.000 2.792 592 T HA -0.304 4.046 4.350 0.000 0.000 0.268 592 T C 1.269 175.964 174.700 -0.010 0.000 1.059 592 T CA 0.987 63.085 62.100 -0.003 0.000 1.136 592 T CB -0.365 68.502 68.868 -0.000 0.000 0.846 592 T HN 0.164 nan 8.240 nan 0.000 0.489 593 Q N 2.194 121.984 119.800 -0.017 0.000 2.423 593 Q HA 0.254 4.594 4.340 0.000 0.000 0.235 593 Q C 1.436 177.417 176.000 -0.032 0.000 1.100 593 Q CA 0.200 55.990 55.803 -0.021 0.000 0.908 593 Q CB 1.054 29.780 28.738 -0.020 0.000 1.312 593 Q HN 0.668 nan 8.270 nan 0.000 0.497 594 S N 1.637 117.321 115.700 -0.025 0.000 2.420 594 S HA -0.197 4.273 4.470 0.000 0.000 0.237 594 S C 1.697 176.275 174.600 -0.036 0.000 1.023 594 S CA 1.247 59.429 58.200 -0.030 0.000 0.991 594 S CB -0.332 62.859 63.200 -0.014 0.000 0.792 594 S HN 0.701 nan 8.310 nan 0.000 0.488 595 G N 2.124 110.905 108.800 -0.031 0.000 2.529 595 G HA2 -0.246 3.714 3.960 0.000 0.000 0.219 595 G HA3 -0.246 3.714 3.960 0.000 0.000 0.219 595 G C 1.501 176.373 174.900 -0.047 0.000 1.177 595 G CA 1.332 46.412 45.100 -0.033 0.000 0.773 595 G HN 0.582 nan 8.290 nan 0.000 0.573 596 M N -0.556 119.011 119.600 -0.056 0.000 2.279 596 M HA 0.049 4.529 4.480 0.000 0.000 0.264 596 M C 2.419 178.661 176.300 -0.097 0.000 1.062 596 M CA 0.728 55.984 55.300 -0.074 0.000 1.099 596 M CB -0.210 32.346 32.600 -0.074 0.000 1.394 596 M HN 0.215 nan 8.290 nan 0.000 0.426 597 L N -0.326 120.835 121.223 -0.103 0.000 2.162 597 L HA -0.016 4.324 4.340 0.000 0.000 0.205 597 L C 2.465 179.271 176.870 -0.108 0.000 1.086 597 L CA 1.458 56.209 54.840 -0.149 0.000 0.778 597 L CB -0.350 41.610 42.059 -0.165 0.000 0.928 597 L HN 0.133 nan 8.230 nan 0.000 0.446 598 S N -0.078 115.583 115.700 -0.065 0.000 2.370 598 S HA -0.225 4.245 4.470 0.000 0.000 0.226 598 S C 2.145 176.721 174.600 -0.039 0.000 1.033 598 S CA 1.179 59.355 58.200 -0.040 0.000 1.011 598 S CB -0.715 62.470 63.200 -0.025 0.000 0.852 598 S HN 0.574 nan 8.310 nan 0.000 0.457 599 A N 1.352 124.145 122.820 -0.046 0.000 1.940 599 A HA -0.039 4.281 4.320 0.000 0.000 0.219 599 A C 2.146 179.705 177.584 -0.041 0.000 1.176 599 A CA 1.283 53.295 52.037 -0.041 0.000 0.631 599 A CB -0.708 18.262 19.000 -0.049 0.000 0.814 599 A HN 0.464 nan 8.150 nan 0.000 0.446 600 L N -0.839 120.347 121.223 -0.062 0.000 2.005 600 L HA -0.140 4.200 4.340 0.000 0.000 0.207 600 L C 2.734 179.582 176.870 -0.037 0.000 1.072 600 L CA 2.048 56.853 54.840 -0.057 0.000 0.744 600 L CB -0.615 41.380 42.059 -0.106 0.000 0.895 600 L HN 0.423 nan 8.230 nan 0.000 0.433 601 T N -0.246 114.277 114.554 -0.051 0.000 2.597 601 T HA -0.256 4.094 4.350 0.000 0.000 0.267 601 T C 2.001 176.698 174.700 -0.006 0.000 1.053 601 T CA 2.118 64.204 62.100 -0.025 0.000 1.165 601 T CB -0.560 68.291 68.868 -0.029 0.000 0.863 601 T HN 0.654 nan 8.240 nan 0.000 0.427 602 S N 1.581 117.275 115.700 -0.008 0.000 2.343 602 S HA -0.055 4.415 4.470 0.000 0.000 0.219 602 S C 2.456 177.058 174.600 0.004 0.000 1.033 602 S CA 1.361 59.560 58.200 -0.001 0.000 1.014 602 S CB -1.529 61.669 63.200 -0.003 0.000 0.915 602 S HN 0.573 nan 8.310 nan 0.000 0.435 603 G N 1.548 110.349 108.800 0.002 0.000 2.606 603 G HA2 -0.274 3.686 3.960 0.000 0.000 0.221 603 G HA3 -0.274 3.686 3.960 0.000 0.000 0.221 603 G C 1.509 176.422 174.900 0.022 0.000 1.152 603 G CA 1.240 46.346 45.100 0.011 0.000 0.765 603 G HN 0.506 nan 8.290 nan 0.000 0.595 604 V N 1.400 121.327 119.914 0.022 0.000 2.324 604 V HA -0.106 4.014 4.120 0.000 0.000 0.250 604 V C 2.995 179.106 176.094 0.028 0.000 1.060 604 V CA 2.809 65.128 62.300 0.031 0.000 1.042 604 V CB -0.882 30.964 31.823 0.038 0.000 0.650 604 V HN 0.454 nan 8.190 nan 0.000 0.450 605 G N -0.727 108.086 108.800 0.021 0.000 2.421 605 G HA2 -0.317 3.643 3.960 0.000 0.000 0.216 605 G HA3 -0.317 3.643 3.960 0.000 0.000 0.216 605 G C 1.722 176.633 174.900 0.017 0.000 1.171 605 G CA 1.771 46.881 45.100 0.017 0.000 0.775 605 G HN 0.609 nan 8.290 nan 0.000 0.543 606 T N 0.287 114.852 114.554 0.018 0.000 2.665 606 T HA -0.088 4.262 4.350 0.000 0.000 0.268 606 T C 2.575 177.289 174.700 0.025 0.000 1.035 606 T CA 2.175 64.287 62.100 0.020 0.000 1.151 606 T CB -0.689 68.192 68.868 0.021 0.000 0.862 606 T HN 0.445 nan 8.240 nan 0.000 0.438 607 A N 1.536 124.374 122.820 0.030 0.000 1.940 607 A HA 0.077 4.397 4.320 0.000 0.000 0.219 607 A C 2.460 180.063 177.584 0.031 0.000 1.176 607 A CA 1.584 53.642 52.037 0.036 0.000 0.631 607 A CB -0.902 18.125 19.000 0.045 0.000 0.814 607 A HN 0.574 nan 8.150 nan 0.000 0.446 608 L N -1.606 119.633 121.223 0.026 0.000 2.007 608 L HA -0.130 4.210 4.340 0.000 0.000 0.205 608 L C 2.670 179.551 176.870 0.017 0.000 1.073 608 L CA 1.533 56.386 54.840 0.022 0.000 0.744 608 L CB -0.589 41.481 42.059 0.020 0.000 0.898 608 L HN 0.422 nan 8.230 nan 0.000 0.435 609 R N 0.060 120.569 120.500 0.015 0.000 2.206 609 R HA -0.254 4.086 4.340 0.000 0.000 0.240 609 R C 1.509 177.816 176.300 0.013 0.000 1.117 609 R CA 2.677 58.784 56.100 0.012 0.000 0.915 609 R CB -0.524 29.784 30.300 0.012 0.000 0.888 609 R HN 0.507 nan 8.270 nan 0.000 0.432 610 T N -2.601 111.963 114.554 0.016 0.000 3.215 610 T HA 0.338 4.688 4.350 0.000 0.000 0.271 610 T C 0.334 175.045 174.700 0.018 0.000 1.012 610 T CA -0.111 61.999 62.100 0.016 0.000 0.899 610 T CB 0.979 69.857 68.868 0.016 0.000 1.089 610 T HN 0.350 nan 8.240 nan 0.000 0.552 611 G N 1.669 110.481 108.800 0.020 0.000 2.378 611 G HA2 0.409 4.369 3.960 0.000 0.000 0.255 611 G HA3 0.409 4.369 3.960 0.000 0.000 0.255 611 G C 0.236 175.147 174.900 0.018 0.000 1.270 611 G CA -0.603 44.510 45.100 0.022 0.000 0.876 611 G HN 0.508 nan 8.290 nan 0.000 0.521 612 S N 3.474 119.184 115.700 0.017 0.000 3.036 612 S HA 0.239 4.709 4.470 0.000 0.000 0.301 612 S C 0.610 175.219 174.600 0.015 0.000 1.205 612 S CA -0.763 57.446 58.200 0.015 0.000 0.999 612 S CB -0.333 62.875 63.200 0.013 0.000 1.337 612 S HN 0.717 nan 8.310 nan 0.000 0.515 613 L N 1.751 122.983 121.223 0.015 0.000 4.053 613 L HA -0.163 4.177 4.340 0.000 0.000 0.479 613 L C 1.111 177.990 176.870 0.015 0.000 0.886 613 L CA 0.347 55.196 54.840 0.015 0.000 0.766 613 L CB -1.924 40.143 42.059 0.014 0.000 1.153 613 L HN 0.788 nan 8.230 nan 0.000 0.861 614 G N 2.883 111.693 108.800 0.017 0.000 2.363 614 G HA2 0.219 4.179 3.960 0.000 0.000 0.285 614 G HA3 0.219 4.179 3.960 0.000 0.000 0.285 614 G C 0.300 175.209 174.900 0.015 0.000 1.084 614 G CA -0.257 44.853 45.100 0.017 0.000 1.216 614 G HN 0.528 nan 8.290 nan 0.000 0.429 615 K N 2.758 123.166 120.400 0.013 0.000 2.530 615 K HA 0.430 4.750 4.320 0.000 0.000 0.230 615 K C 0.741 177.347 176.600 0.009 0.000 1.002 615 K CA -0.528 55.766 56.287 0.012 0.000 1.014 615 K CB 0.696 33.203 32.500 0.012 0.000 1.286 615 K HN 0.403 nan 8.250 nan 0.000 0.480 616 G N 2.635 111.441 108.800 0.010 0.000 2.101 616 G HA2 -0.104 3.856 3.960 0.000 0.000 0.262 616 G HA3 -0.104 3.856 3.960 0.000 0.000 0.262 616 G C 1.208 176.111 174.900 0.005 0.000 1.041 616 G CA 0.146 45.251 45.100 0.007 0.000 1.002 616 G HN 0.535 nan 8.290 nan 0.000 0.403 617 V N 3.389 123.304 119.914 0.002 0.000 2.277 617 V HA -0.313 3.807 4.120 0.000 0.000 0.253 617 V C 3.197 179.292 176.094 0.001 0.000 1.067 617 V CA 3.623 65.924 62.300 0.001 0.000 1.047 617 V CB -0.814 31.007 31.823 -0.002 0.000 0.649 617 V HN 1.042 nan 8.190 nan 0.000 0.447 618 T N -1.705 112.849 114.554 0.001 0.000 2.570 618 T HA -0.339 4.011 4.350 0.000 0.000 0.266 618 T C 1.689 176.390 174.700 0.001 0.000 1.071 618 T CA 2.117 64.218 62.100 0.001 0.000 1.172 618 T CB -0.945 67.924 68.868 0.001 0.000 0.864 618 T HN 0.587 nan 8.240 nan 0.000 0.421 619 D N 1.860 122.262 120.400 0.003 0.000 2.178 619 D HA 0.019 4.659 4.640 0.000 0.000 0.201 619 D C 2.290 178.592 176.300 0.003 0.000 0.980 619 D CA 1.276 55.278 54.000 0.003 0.000 0.842 619 D CB -0.626 40.177 40.800 0.005 0.000 0.948 619 D HN 0.550 nan 8.370 nan 0.000 0.472 620 A N 0.269 123.091 122.820 0.004 0.000 1.841 620 A HA -0.209 4.111 4.320 0.000 0.000 0.216 620 A C 2.405 179.991 177.584 0.003 0.000 1.199 620 A CA 3.044 55.084 52.037 0.004 0.000 0.621 620 A CB -1.340 17.663 19.000 0.004 0.000 0.835 620 A HN 0.393 nan 8.150 nan 0.000 0.445 621 S N 0.159 115.860 115.700 0.001 0.000 2.380 621 S HA -0.287 4.183 4.470 0.000 0.000 0.229 621 S C 1.643 176.243 174.600 -0.000 0.000 1.043 621 S CA 1.942 60.142 58.200 0.001 0.000 1.038 621 S CB -0.591 62.608 63.200 -0.000 0.000 0.872 621 S HN 0.569 nan 8.310 nan 0.000 0.456 622 E N 1.371 121.571 120.200 -0.000 0.000 2.106 622 E HA 0.008 4.358 4.350 0.000 0.000 0.192 622 E C 2.116 178.715 176.600 -0.001 0.000 0.984 622 E CA 1.084 57.483 56.400 -0.001 0.000 0.806 622 E CB -0.217 29.482 29.700 -0.001 0.000 0.750 622 E HN 0.662 nan 8.360 nan 0.000 0.458 623 K N 0.323 120.723 120.400 -0.000 0.000 2.057 623 K HA -0.131 4.189 4.320 0.000 0.000 0.206 623 K C 2.137 178.737 176.600 -0.000 0.000 1.050 623 K CA 0.856 57.143 56.287 0.000 0.000 0.935 623 K CB -0.184 32.318 32.500 0.002 0.000 0.715 623 K HN 0.109 nan 8.250 nan 0.000 0.439 624 L N 1.924 123.148 121.223 0.001 0.000 2.021 624 L HA -0.258 4.082 4.340 0.000 0.000 0.215 624 L C 2.525 179.395 176.870 -0.000 0.000 1.074 624 L CA 1.852 56.692 54.840 0.001 0.000 0.760 624 L CB -0.572 41.488 42.059 0.001 0.000 0.889 624 L HN 0.157 nan 8.230 nan 0.000 0.433 625 R N -0.210 120.289 120.500 -0.001 0.000 2.070 625 R HA -0.149 4.191 4.340 0.000 0.000 0.232 625 R C 2.169 178.466 176.300 -0.004 0.000 1.138 625 R CA 1.661 57.760 56.100 -0.002 0.000 0.936 625 R CB -0.775 29.523 30.300 -0.002 0.000 0.839 625 R HN 0.555 nan 8.270 nan 0.000 0.429 626 A N 1.466 124.283 122.820 -0.005 0.000 1.948 626 A HA -0.191 4.129 4.320 0.000 0.000 0.220 626 A C 2.286 179.865 177.584 -0.009 0.000 1.177 626 A CA 1.626 53.658 52.037 -0.008 0.000 0.636 626 A CB -0.492 18.504 19.000 -0.008 0.000 0.815 626 A HN 0.413 nan 8.150 nan 0.000 0.449 627 R N -0.902 119.595 120.500 -0.005 0.000 2.096 627 R HA -0.145 4.195 4.340 0.000 0.000 0.235 627 R C 2.476 178.775 176.300 -0.002 0.000 1.127 627 R CA 1.611 57.708 56.100 -0.004 0.000 0.968 627 R CB -0.303 29.997 30.300 -0.001 0.000 0.861 627 R HN 0.698 nan 8.270 nan 0.000 0.440 628 Q N 0.137 119.937 119.800 -0.001 0.000 2.016 628 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 628 Q C 2.320 178.319 176.000 -0.002 0.000 0.978 628 Q CA 2.045 57.849 55.803 0.001 0.000 0.833 628 Q CB -0.008 28.731 28.738 0.002 0.000 0.895 628 Q HN 0.380 nan 8.270 nan 0.000 0.427 629 S N 0.743 116.439 115.700 -0.007 0.000 2.400 629 S HA -0.202 4.268 4.470 0.000 0.000 0.232 629 S C 1.903 176.490 174.600 -0.021 0.000 1.025 629 S CA 1.062 59.255 58.200 -0.012 0.000 0.993 629 S CB -0.503 62.689 63.200 -0.013 0.000 0.808 629 S HN 0.294 nan 8.310 nan 0.000 0.478 630 L N 1.997 123.207 121.223 -0.022 0.000 1.989 630 L HA -0.117 4.223 4.340 0.000 0.000 0.211 630 L C 2.679 179.530 176.870 -0.032 0.000 1.071 630 L CA 2.263 57.084 54.840 -0.031 0.000 0.749 630 L CB -1.200 40.843 42.059 -0.026 0.000 0.890 630 L HN 0.324 nan 8.230 nan 0.000 0.431 631 T N -0.992 113.557 114.554 -0.008 0.000 2.635 631 T HA -0.247 4.103 4.350 0.000 0.000 0.267 631 T C 1.894 176.591 174.700 -0.004 0.000 1.040 631 T CA 1.941 64.050 62.100 0.015 0.000 1.156 631 T CB -0.675 68.212 68.868 0.032 0.000 0.863 631 T HN 0.213 nan 8.240 nan 0.000 0.430 632 V N 2.158 122.067 119.914 -0.008 0.000 2.231 632 V HA -0.293 3.827 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 2.063 64.354 62.300 -0.015 0.000 1.022 632 V CB -1.459 30.360 31.823 -0.007 0.000 0.640 632 V HN 0.607 nan 8.190 nan 0.000 0.445 633 A N -0.909 121.875 122.820 -0.060 0.000 1.940 633 A HA -0.238 4.082 4.320 0.000 0.000 0.219 633 A C 2.318 179.813 177.584 -0.148 0.000 1.176 633 A CA 1.983 53.971 52.037 -0.082 0.000 0.631 633 A CB -0.483 18.469 19.000 -0.081 0.000 0.814 633 A HN 0.540 nan 8.150 nan 0.000 0.446 634 K N -0.791 119.485 120.400 -0.208 0.000 2.032 634 K HA -0.183 4.137 4.320 0.000 0.000 0.209 634 K C 2.319 178.228 176.600 -1.152 0.000 1.048 634 K CA 1.451 57.460 56.287 -0.463 0.000 0.927 634 K CB -0.245 32.111 32.500 -0.239 0.000 0.712 634 K HN 0.462 nan 8.250 nan 0.000 0.441 635 Q N 0.131 119.623 119.800 -0.512 0.000 2.029 635 Q HA -0.209 4.131 4.340 0.000 0.000 0.209 635 Q C 2.179 178.090 176.000 -0.150 0.000 0.999 635 Q CA 2.014 57.706 55.803 -0.185 0.000 0.857 635 Q CB -0.594 28.183 28.738 0.065 0.000 0.926 635 Q HN 0.358 nan 8.270 nan 0.000 0.415 636 A N 0.484 123.242 122.820 -0.104 0.000 1.948 636 A HA -0.212 4.108 4.320 0.000 0.000 0.220 636 A C 1.935 179.513 177.584 -0.010 0.000 1.177 636 A CA 1.643 53.659 52.037 -0.036 0.000 0.636 636 A CB -0.902 18.089 19.000 -0.014 0.000 0.815 636 A HN 0.423 nan 8.150 nan 0.000 0.449 637 F N 0.261 120.053 119.950 -0.262 0.000 2.069 637 F HA -0.166 4.361 4.527 0.000 0.000 0.298 637 F C 1.839 177.600 175.800 -0.066 0.000 1.113 637 F CA 1.502 59.380 58.000 -0.203 0.000 1.214 637 F CB -0.649 38.165 39.000 -0.310 0.000 0.978 637 F HN 0.204 nan 8.300 nan 0.000 0.474 638 F N 1.464 121.255 119.950 -0.265 0.000 2.126 638 F HA -0.187 4.340 4.527 0.000 0.000 0.299 638 F C 2.390 178.072 175.800 -0.197 0.000 1.096 638 F CA 1.357 59.130 58.000 -0.378 0.000 1.255 638 F CB -1.692 37.204 39.000 -0.172 0.000 0.997 638 F HN 0.043 nan 8.300 nan 0.000 0.479 639 D N -0.036 120.413 120.400 0.082 0.000 2.116 639 D HA -0.215 4.425 4.640 0.000 0.000 0.193 639 D C 2.336 178.666 176.300 0.051 0.000 0.998 639 D CA 1.440 55.477 54.000 0.062 0.000 0.836 639 D CB -0.676 40.157 40.800 0.054 0.000 0.951 639 D HN 0.291 nan 8.370 nan 0.000 0.449 640 Q N 0.728 120.553 119.800 0.042 0.000 2.061 640 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 640 Q C 2.378 178.443 176.000 0.109 0.000 0.984 640 Q CA 1.129 56.975 55.803 0.071 0.000 0.846 640 Q CB -0.467 28.321 28.738 0.082 0.000 0.902 640 Q HN 0.362 nan 8.270 nan 0.000 0.421 641 I N 0.808 121.405 120.570 0.044 0.000 2.208 641 I HA -0.221 3.949 4.170 0.000 0.000 0.245 641 I C 2.498 178.774 176.117 0.265 0.000 1.097 641 I CA 1.247 62.639 61.300 0.153 0.000 1.363 641 I CB -0.750 37.151 38.000 -0.165 0.000 1.051 641 I HN 0.338 nan 8.210 nan 0.000 0.413 642 G N 0.461 109.319 108.800 0.098 0.000 2.469 642 G HA2 -0.346 3.614 3.960 0.000 0.000 0.219 642 G HA3 -0.346 3.614 3.960 0.000 0.000 0.219 642 G C 1.806 176.749 174.900 0.071 0.000 1.150 642 G CA 1.317 46.450 45.100 0.056 0.000 0.763 642 G HN 0.520 nan 8.290 nan 0.000 0.561 643 S N 0.293 116.048 115.700 0.091 0.000 2.356 643 S HA 0.005 4.475 4.470 0.000 0.000 0.223 643 S C 2.359 177.013 174.600 0.090 0.000 1.032 643 S CA 1.342 59.592 58.200 0.083 0.000 1.005 643 S CB -0.375 62.868 63.200 0.071 0.000 0.867 643 S HN 0.267 nan 8.310 nan 0.000 0.449 644 L N -1.181 120.127 121.223 0.141 0.000 2.209 644 L HA 0.313 4.653 4.340 0.000 0.000 0.207 644 L C 1.042 177.814 176.870 -0.162 0.000 1.094 644 L CA 0.428 55.316 54.840 0.081 0.000 0.790 644 L CB 0.111 42.343 42.059 0.289 0.000 0.932 644 L HN 0.599 nan 8.230 nan 0.000 0.447 645 W N 2.359 123.323 121.300 -0.560 0.000 2.409 645 W HA 0.262 4.922 4.660 0.000 0.000 0.285 645 W C -2.540 173.829 176.519 -0.251 0.000 1.030 645 W CA -2.103 54.846 57.345 -0.660 0.000 1.330 645 W CB 1.494 30.185 29.460 -1.282 0.000 1.236 645 W HN -0.227 nan 8.180 nan 0.000 0.341 646 P HA 0.038 nan 4.420 nan 0.000 0.252 646 P C 0.825 177.687 177.300 -0.730 0.000 1.694 646 P CA 0.524 63.526 63.100 -0.163 0.000 1.163 646 P CB -0.254 31.442 31.700 -0.008 0.000 1.934 647 G N 5.087 113.128 108.800 -1.265 0.000 2.209 647 G HA2 0.059 4.019 3.960 0.000 0.000 0.271 647 G HA3 0.059 4.019 3.960 0.000 0.000 0.271 647 G C 0.542 174.981 174.900 -0.769 0.000 1.111 647 G CA -0.215 43.911 45.100 -1.624 0.000 1.092 647 G HN 0.590 nan 8.290 nan 0.000 0.416 648 K N 0.000 120.030 120.400 -0.617 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.136 56.287 -0.252 0.000 0.838 648 K CB 0.000 32.416 32.500 -0.141 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543