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_I DATA FIRST_RESID 10 DATA SEQUENCE TYNITGDGNS FTPTSDMTST AAPAIDLKPG VLNPTGKLWR PVGTSVATID DATA SEQUENCE SLAIVSDRFG QYSFVNEGMR ETFSKALFDI NMWQPLFQAT KTGCGPIVLS DATA SEQUENCE SFTTTTSGYV GATAGDALDN PVTNGVFIST VQIMNLQRTI AARMRDVALW DATA SEQUENCE QKHLDTAMTM LTPDISAGSA SCNWKSLLAF AKDILPLDNL CLTYPNEFYN DATA SEQUENCE VAIHRYPALK PGNPDTKLPD AQAHPLGEVA GAFNAATSEV GSLVGSSSTL DATA SEQUENCE SQAISTMAGK DLDLIEADTP LPVSVFTPSL APRSYRPAFI KPEDAKWIAE DATA SEQUENCE FNNSSLIRKT LTYSGATYTV QLGPGPTRVI DMNAMIDSVL TLDVSGTILP DATA SEQUENCE YDTNPDLSTS VPAFVLIQTS VPIQQVTTAA NITAITVVSA AGASAINLAI DATA SEQUENCE NVRGQPRFNM LHLQATFERE TITGIPYIYG LGTFLIPSPT SSSNFSNPTL DATA SEQUENCE MDGLLTVTPV LLRETTYKGE VVDAIVPATV MANQTSEEVA SALANDAIVL DATA SEQUENCE VSNHLNKLAN VVGDAIPVAS RTDDSATSAI VSRLAVQHKL SQVGQASPTP DATA SEQUENCE PDYPLLWRRA KRAASMFVSN PSLALQVGIP VLTQSGMLSA LTSGVGTALR DATA SEQUENCE TGSLGKGVTD ASEKLRARQS LTVAKQAFFD QIGSLWPGK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.608 174.700 -0.153 0.000 1.109 10 T CA 0.000 62.023 62.100 -0.127 0.000 1.349 10 T CB 0.000 68.730 68.868 -0.231 0.000 0.612 11 Y N 2.248 122.574 120.300 0.043 0.000 2.360 11 Y HA 0.673 5.223 4.550 0.000 0.000 0.337 11 Y C 0.263 176.166 175.900 0.006 0.000 1.039 11 Y CA -1.482 56.636 58.100 0.030 0.000 1.109 11 Y CB 0.462 38.949 38.460 0.045 0.000 1.201 11 Y HN 0.775 nan 8.280 nan 0.000 0.458 12 N N 3.788 122.496 118.700 0.014 0.000 2.256 12 N HA -0.141 4.599 4.740 0.000 0.000 0.277 12 N C 0.929 176.469 175.510 0.050 0.000 1.362 12 N CA 0.505 53.552 53.050 -0.004 0.000 0.861 12 N CB 0.357 38.848 38.487 0.006 0.000 1.136 12 N HN 0.881 nan 8.380 nan 0.000 0.492 13 I N 1.107 121.621 120.570 -0.094 0.000 2.493 13 I HA -0.062 4.108 4.170 0.000 0.000 0.254 13 I C 1.276 177.201 176.117 -0.320 0.000 1.160 13 I CA 0.908 62.059 61.300 -0.249 0.000 1.445 13 I CB -0.618 37.059 38.000 -0.540 0.000 1.086 13 I HN 0.551 nan 8.210 nan 0.000 0.433 14 T N -0.514 113.924 114.554 -0.193 0.000 3.624 14 T HA 0.598 4.948 4.350 0.000 0.000 0.231 14 T C 0.491 175.129 174.700 -0.103 0.000 0.865 14 T CA -0.164 61.839 62.100 -0.161 0.000 0.926 14 T CB -0.997 67.799 68.868 -0.120 0.000 1.189 14 T HN 0.483 nan 8.240 nan 0.000 0.640 15 G N 0.747 109.489 108.800 -0.098 0.000 2.788 15 G HA2 0.623 4.583 3.960 0.000 0.000 0.293 15 G HA3 0.623 4.583 3.960 0.000 0.000 0.293 15 G C -1.344 173.524 174.900 -0.053 0.000 1.305 15 G CA -0.958 44.110 45.100 -0.053 0.000 1.005 15 G HN 0.514 nan 8.290 nan 0.000 0.496 16 D N -1.773 118.613 120.400 -0.024 0.000 2.252 16 D HA 0.533 5.173 4.640 0.000 0.000 0.245 16 D C 0.685 176.991 176.300 0.010 0.000 1.009 16 D CA -0.056 53.937 54.000 -0.011 0.000 0.870 16 D CB 1.788 42.582 40.800 -0.011 0.000 1.251 16 D HN 1.337 nan 8.370 nan 0.000 0.460 17 G N 2.277 111.095 108.800 0.029 0.000 2.316 17 G HA2 -0.252 3.708 3.960 0.000 0.000 0.203 17 G HA3 -0.252 3.708 3.960 0.000 0.000 0.203 17 G C 0.046 175.000 174.900 0.089 0.000 0.999 17 G CA -0.070 45.057 45.100 0.046 0.000 0.649 17 G HN 0.851 nan 8.290 nan 0.000 0.489 18 N N 1.440 120.217 118.700 0.130 0.000 2.434 18 N HA 0.406 5.146 4.740 0.000 0.000 0.268 18 N C -0.005 175.766 175.510 0.435 0.000 1.256 18 N CA 0.835 54.053 53.050 0.280 0.000 0.914 18 N CB 1.283 39.925 38.487 0.259 0.000 1.088 18 N HN 0.308 nan 8.380 nan 0.000 0.478 19 S N 2.436 118.330 115.700 0.325 0.000 2.548 19 S HA 0.313 4.783 4.470 0.000 0.000 0.277 19 S C -0.868 173.726 174.600 -0.011 0.000 1.315 19 S CA -0.773 57.528 58.200 0.169 0.000 1.050 19 S CB -0.245 62.986 63.200 0.052 0.000 0.918 19 S HN 0.547 nan 8.310 nan 0.000 0.497 20 F N 5.102 124.860 119.950 -0.321 0.000 2.366 20 F HA 0.375 4.902 4.527 0.000 0.000 0.357 20 F C 0.246 175.793 175.800 -0.422 0.000 1.107 20 F CA -0.528 57.059 58.000 -0.688 0.000 1.208 20 F CB 0.572 39.119 39.000 -0.756 0.000 1.464 20 F HN 0.563 nan 8.300 nan 0.000 0.501 21 T N 2.859 117.117 114.554 -0.493 0.000 3.250 21 T HA 0.403 4.753 4.350 0.000 0.000 0.391 21 T C -2.998 171.422 174.700 -0.467 0.000 1.502 21 T CA -2.310 59.548 62.100 -0.404 0.000 1.320 21 T CB 0.556 69.304 68.868 -0.200 0.000 1.102 21 T HN 0.251 nan 8.240 nan 0.000 0.610 22 P HA 0.253 nan 4.420 nan 0.000 0.276 22 P C -0.093 177.063 177.300 -0.239 0.000 1.264 22 P CA 0.187 63.022 63.100 -0.442 0.000 0.769 22 P CB 0.555 31.929 31.700 -0.543 0.000 0.840 23 T N -1.301 113.147 114.554 -0.177 0.000 2.893 23 T HA 0.313 4.663 4.350 0.000 0.000 0.291 23 T C 1.376 176.030 174.700 -0.078 0.000 1.028 23 T CA -0.466 61.570 62.100 -0.106 0.000 0.995 23 T CB 1.186 69.999 68.868 -0.092 0.000 1.051 23 T HN 0.223 nan 8.240 nan 0.000 0.470 24 S N 0.492 116.163 115.700 -0.049 0.000 2.402 24 S HA -0.242 4.228 4.470 0.000 0.000 0.233 24 S C 1.511 176.096 174.600 -0.026 0.000 1.030 24 S CA 1.505 59.686 58.200 -0.031 0.000 1.003 24 S CB -0.787 62.402 63.200 -0.017 0.000 0.813 24 S HN 0.859 nan 8.310 nan 0.000 0.477 25 D N 1.111 121.490 120.400 -0.036 0.000 2.149 25 D HA -0.091 4.549 4.640 0.000 0.000 0.198 25 D C 0.872 177.147 176.300 -0.042 0.000 0.990 25 D CA 1.004 54.981 54.000 -0.038 0.000 0.839 25 D CB -0.030 40.745 40.800 -0.042 0.000 0.948 25 D HN 0.457 nan 8.370 nan 0.000 0.460 26 M N 0.893 120.458 119.600 -0.058 0.000 3.043 26 M HA 0.119 4.599 4.480 0.000 0.000 0.309 26 M C -0.619 175.654 176.300 -0.044 0.000 1.202 26 M CA -0.189 55.071 55.300 -0.068 0.000 0.869 26 M CB 1.487 34.014 32.600 -0.121 0.000 1.327 26 M HN -0.314 nan 8.290 nan 0.000 0.524 27 T N 1.046 115.590 114.554 -0.016 0.000 2.750 27 T HA 0.131 4.481 4.350 0.000 0.000 0.286 27 T C 0.663 175.388 174.700 0.042 0.000 0.911 27 T CA 0.092 62.193 62.100 0.002 0.000 1.130 27 T CB 0.014 68.889 68.868 0.012 0.000 0.873 27 T HN 0.466 nan 8.240 nan 0.000 0.536 28 S N 2.970 118.706 115.700 0.060 0.000 2.783 28 S HA 0.012 4.482 4.470 0.000 0.000 0.337 28 S C 0.689 175.362 174.600 0.122 0.000 1.227 28 S CA 0.329 58.632 58.200 0.172 0.000 0.994 28 S CB 0.080 63.348 63.200 0.113 0.000 0.647 28 S HN 0.932 nan 8.310 nan 0.000 0.442 29 T N -0.071 114.560 114.554 0.130 0.000 2.927 29 T HA 0.559 4.909 4.350 0.000 0.000 0.350 29 T C -1.062 173.666 174.700 0.046 0.000 1.746 29 T CA 0.144 62.298 62.100 0.089 0.000 1.081 29 T CB 0.807 69.715 68.868 0.066 0.000 1.551 29 T HN 1.157 nan 8.240 nan 0.000 0.489 30 A N 1.536 124.380 122.820 0.041 0.000 2.548 30 A HA 1.001 5.321 4.320 0.000 0.000 0.282 30 A C -0.808 176.792 177.584 0.027 0.000 1.288 30 A CA -0.207 51.835 52.037 0.007 0.000 0.748 30 A CB 0.847 19.862 19.000 0.025 0.000 1.339 30 A HN 1.607 nan 8.150 nan 0.000 0.475 31 A N 0.632 123.469 122.820 0.029 0.000 2.511 31 A HA 0.629 4.949 4.320 0.000 0.000 0.340 31 A C -1.874 175.745 177.584 0.059 0.000 1.396 31 A CA -1.246 50.817 52.037 0.043 0.000 0.887 31 A CB -0.408 18.614 19.000 0.036 0.000 1.145 31 A HN 0.439 nan 8.150 nan 0.000 0.497 32 P HA 0.118 nan 4.420 nan 0.000 0.213 32 P C 0.508 177.840 177.300 0.054 0.000 1.170 32 P CA 1.710 64.852 63.100 0.069 0.000 0.889 32 P CB 0.330 32.069 31.700 0.065 0.000 0.782 33 A N -1.232 121.613 122.820 0.041 0.000 2.594 33 A HA 0.635 4.955 4.320 0.000 0.000 0.295 33 A C -1.174 176.430 177.584 0.032 0.000 1.071 33 A CA -0.589 51.468 52.037 0.032 0.000 0.685 33 A CB 0.778 19.795 19.000 0.027 0.000 1.285 33 A HN 0.059 nan 8.150 nan 0.000 0.405 34 I N -1.658 118.934 120.570 0.037 0.000 2.797 34 I HA 0.698 4.868 4.170 0.000 0.000 0.307 34 I C -0.310 175.834 176.117 0.046 0.000 1.033 34 I CA -0.852 60.477 61.300 0.047 0.000 1.071 34 I CB 1.245 39.288 38.000 0.071 0.000 1.255 34 I HN 0.486 nan 8.210 nan 0.000 0.445 35 D N 2.641 123.060 120.400 0.031 0.000 2.434 35 D HA 0.184 4.824 4.640 0.000 0.000 0.252 35 D C -0.346 175.977 176.300 0.038 0.000 1.185 35 D CA 0.575 54.588 54.000 0.022 0.000 0.886 35 D CB 0.546 41.345 40.800 -0.002 0.000 1.148 35 D HN 0.669 nan 8.370 nan 0.000 0.483 36 L N 3.917 125.163 121.223 0.040 0.000 3.186 36 L HA 0.266 4.606 4.340 0.000 0.000 0.292 36 L C 0.049 176.934 176.870 0.025 0.000 1.303 36 L CA -0.454 54.416 54.840 0.051 0.000 0.940 36 L CB -0.078 42.028 42.059 0.078 0.000 1.358 36 L HN 0.231 nan 8.230 nan 0.000 0.581 37 K N 0.455 120.860 120.400 0.008 0.000 2.326 37 K HA 0.206 4.526 4.320 0.000 0.000 0.275 37 K C -1.627 174.973 176.600 -0.001 0.000 1.018 37 K CA -1.290 54.999 56.287 0.002 0.000 0.962 37 K CB 1.272 33.769 32.500 -0.005 0.000 0.953 37 K HN -0.010 nan 8.250 nan 0.000 0.475 38 P HA -0.186 nan 4.420 nan 0.000 0.215 38 P C 0.988 178.286 177.300 -0.004 0.000 1.157 38 P CA 1.612 64.712 63.100 0.001 0.000 0.874 38 P CB 0.038 31.740 31.700 0.003 0.000 0.790 39 G N -0.489 108.309 108.800 -0.004 0.000 2.547 39 G HA2 -0.302 3.658 3.960 0.000 0.000 0.221 39 G HA3 -0.302 3.658 3.960 0.000 0.000 0.221 39 G C 1.622 176.515 174.900 -0.012 0.000 1.140 39 G CA 1.100 46.197 45.100 -0.005 0.000 0.760 39 G HN 0.221 nan 8.290 nan 0.000 0.583 40 V N 0.584 120.486 119.914 -0.019 0.000 2.871 40 V HA 0.027 4.147 4.120 0.000 0.000 0.256 40 V C 2.808 178.870 176.094 -0.054 0.000 1.082 40 V CA 0.971 63.250 62.300 -0.035 0.000 1.105 40 V CB -0.073 31.727 31.823 -0.037 0.000 0.713 40 V HN 0.361 nan 8.190 nan 0.000 0.473 41 L N 0.327 121.525 121.223 -0.043 0.000 2.187 41 L HA -0.200 4.140 4.340 0.000 0.000 0.213 41 L C 2.318 179.155 176.870 -0.055 0.000 1.100 41 L CA 1.708 56.515 54.840 -0.055 0.000 0.765 41 L CB -0.814 41.230 42.059 -0.025 0.000 0.904 41 L HN 0.474 nan 8.230 nan 0.000 0.437 42 N N 0.515 119.198 118.700 -0.029 0.000 2.004 42 N HA -0.112 4.628 4.740 0.000 0.000 0.196 42 N C -1.433 174.075 175.510 -0.003 0.000 1.064 42 N CA 0.589 53.634 53.050 -0.009 0.000 0.855 42 N CB -0.920 37.574 38.487 0.011 0.000 1.056 42 N HN 0.047 nan 8.380 nan 0.000 0.423 43 P HA -0.143 nan 4.420 nan 0.000 0.191 43 P C -0.493 176.853 177.300 0.076 0.000 0.906 43 P CA 0.957 64.082 63.100 0.043 0.000 1.011 43 P CB -0.118 31.602 31.700 0.033 0.000 1.090 44 T N 0.903 115.527 114.554 0.117 0.000 3.553 44 T HA 0.215 4.565 4.350 0.000 0.000 0.144 44 T C 0.359 175.146 174.700 0.146 0.000 0.676 44 T CA 0.484 62.652 62.100 0.114 0.000 0.824 44 T CB -0.683 68.252 68.868 0.111 0.000 0.880 44 T HN 0.231 nan 8.240 nan 0.000 0.260 45 G N 3.213 112.130 108.800 0.196 0.000 2.299 45 G HA2 0.432 4.392 3.960 0.000 0.000 0.256 45 G HA3 0.432 4.392 3.960 0.000 0.000 0.256 45 G C -0.280 174.771 174.900 0.252 0.000 1.259 45 G CA 0.150 45.394 45.100 0.240 0.000 0.943 45 G HN 0.561 nan 8.290 nan 0.000 0.479 46 K N 2.311 122.857 120.400 0.243 0.000 2.237 46 K HA 0.321 4.641 4.320 0.000 0.000 0.270 46 K C -0.150 176.528 176.600 0.131 0.000 1.015 46 K CA -0.589 55.754 56.287 0.094 0.000 0.949 46 K CB 0.961 33.397 32.500 -0.107 0.000 0.976 46 K HN 0.334 nan 8.250 nan 0.000 0.472 47 L N 5.004 126.249 121.223 0.037 0.000 2.290 47 L HA 0.423 4.763 4.340 0.000 0.000 0.284 47 L C -1.125 175.763 176.870 0.030 0.000 1.078 47 L CA -0.032 54.899 54.840 0.152 0.000 0.815 47 L CB 0.251 42.421 42.059 0.184 0.000 1.162 47 L HN 0.692 nan 8.230 nan 0.000 0.435 48 W N 4.294 125.665 121.300 0.118 0.000 3.307 48 W HA 0.732 5.392 4.660 0.000 0.000 0.325 48 W C -0.621 176.011 176.519 0.188 0.000 1.255 48 W CA -0.821 56.587 57.345 0.104 0.000 1.006 48 W CB 0.773 30.287 29.460 0.090 0.000 1.608 48 W HN 0.130 nan 8.180 nan 0.000 0.620 49 R N 0.572 121.311 120.500 0.398 0.000 2.604 49 R HA 0.257 4.597 4.340 0.000 0.000 0.270 49 R C -2.786 173.547 176.300 0.055 0.000 1.052 49 R CA -2.515 53.749 56.100 0.274 0.000 0.902 49 R CB 0.962 31.364 30.300 0.170 0.000 1.233 49 R HN 0.062 nan 8.270 nan 0.000 0.455 50 P HA 0.022 nan 4.420 nan 0.000 0.244 50 P C 0.470 177.752 177.300 -0.029 0.000 1.723 50 P CA 0.363 63.399 63.100 -0.108 0.000 1.110 50 P CB 0.102 31.753 31.700 -0.081 0.000 1.972 51 V N 1.829 121.726 119.914 -0.029 0.000 0.588 51 V HA -0.376 3.744 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 2.578 64.876 62.300 -0.003 0.000 3.401 51 V CB -2.313 29.503 31.823 -0.012 0.000 0.689 51 V HN 0.597 nan 8.190 nan 0.000 0.712 52 G N -1.933 106.879 108.800 0.020 0.000 3.990 52 G HA2 0.219 4.179 3.960 0.000 0.000 0.213 52 G HA3 0.219 4.179 3.960 0.000 0.000 0.213 52 G C 0.168 175.086 174.900 0.029 0.000 0.849 52 G CA 0.894 46.011 45.100 0.028 0.000 0.857 52 G HN 1.467 nan 8.290 nan 0.000 0.484 53 T N 0.932 115.499 114.554 0.021 0.000 2.698 53 T HA 0.536 4.886 4.350 0.000 0.000 0.295 53 T C 1.409 176.128 174.700 0.031 0.000 1.007 53 T CA 0.722 62.835 62.100 0.021 0.000 0.980 53 T CB 0.877 69.752 68.868 0.012 0.000 1.036 53 T HN 1.052 nan 8.240 nan 0.000 0.526 54 S N -0.463 115.254 115.700 0.029 0.000 2.650 54 S HA 0.178 4.648 4.470 0.000 0.000 0.251 54 S C 0.374 174.998 174.600 0.041 0.000 1.325 54 S CA -0.942 57.279 58.200 0.035 0.000 0.967 54 S CB -0.348 62.867 63.200 0.025 0.000 1.000 54 S HN 0.683 nan 8.310 nan 0.000 0.584 55 V N 1.535 121.476 119.914 0.045 0.000 2.341 55 V HA 0.529 4.649 4.120 0.000 0.000 0.248 55 V C 0.877 176.991 176.094 0.033 0.000 1.107 55 V CA 0.676 63.008 62.300 0.055 0.000 1.069 55 V CB -0.972 30.888 31.823 0.062 0.000 1.177 55 V HN 1.050 nan 8.190 nan 0.000 0.492 56 A N 3.380 126.213 122.820 0.022 0.000 1.472 56 A HA 0.085 4.405 4.320 0.000 0.000 0.214 56 A C 1.622 179.198 177.584 -0.014 0.000 1.836 56 A CA 0.592 52.632 52.037 0.005 0.000 1.436 56 A CB -0.031 18.970 19.000 0.003 0.000 1.362 56 A HN 0.595 nan 8.150 nan 0.000 0.359 57 T N 0.679 115.220 114.554 -0.022 0.000 3.541 57 T HA 0.122 4.472 4.350 0.000 0.000 0.255 57 T C 1.425 176.063 174.700 -0.104 0.000 1.158 57 T CA 0.850 62.919 62.100 -0.051 0.000 1.000 57 T CB -1.080 67.763 68.868 -0.043 0.000 1.008 57 T HN 0.378 nan 8.240 nan 0.000 0.568 58 I N 2.935 123.439 120.570 -0.111 0.000 2.229 58 I HA -0.340 3.830 4.170 0.000 0.000 0.250 58 I C 2.700 178.688 176.117 -0.216 0.000 1.096 58 I CA 2.002 63.190 61.300 -0.186 0.000 1.358 58 I CB -0.711 37.242 38.000 -0.078 0.000 1.047 58 I HN 0.470 nan 8.210 nan 0.000 0.422 59 D N 0.314 120.632 120.400 -0.137 0.000 2.239 59 D HA -0.153 4.487 4.640 0.000 0.000 0.202 59 D C 0.649 176.862 176.300 -0.145 0.000 0.993 59 D CA 1.054 54.979 54.000 -0.125 0.000 0.874 59 D CB -0.118 40.633 40.800 -0.081 0.000 0.922 59 D HN 0.362 nan 8.370 nan 0.000 0.464 60 S N -0.285 115.319 115.700 -0.159 0.000 2.561 60 S HA 0.579 5.049 4.470 0.000 0.000 0.303 60 S C -0.373 174.118 174.600 -0.182 0.000 1.110 60 S CA -0.857 57.259 58.200 -0.140 0.000 1.034 60 S CB 1.962 65.115 63.200 -0.078 0.000 1.010 60 S HN 0.167 nan 8.310 nan 0.000 0.482 61 L N 2.111 123.231 121.223 -0.171 0.000 2.386 61 L HA 0.876 5.216 4.340 0.000 0.000 0.271 61 L C -0.205 176.804 176.870 0.232 0.000 0.993 61 L CA -1.040 53.762 54.840 -0.064 0.000 0.819 61 L CB 1.805 43.700 42.059 -0.273 0.000 1.294 61 L HN 0.671 nan 8.230 nan 0.000 0.414 62 A N 2.961 125.933 122.820 0.253 0.000 2.304 62 A HA 0.763 5.083 4.320 0.000 0.000 0.323 62 A C -0.228 177.474 177.584 0.197 0.000 1.195 62 A CA -0.634 51.537 52.037 0.224 0.000 0.826 62 A CB 0.597 19.640 19.000 0.072 0.000 1.184 62 A HN 0.712 nan 8.150 nan 0.000 0.496 63 I N 1.952 122.477 120.570 -0.076 0.000 2.710 63 I HA 0.341 4.511 4.170 0.000 0.000 0.286 63 I C 0.874 176.837 176.117 -0.257 0.000 1.181 63 I CA -0.606 60.474 61.300 -0.368 0.000 1.430 63 I CB -0.256 37.314 38.000 -0.716 0.000 1.367 63 I HN 0.598 nan 8.210 nan 0.000 0.577 64 V N 2.451 122.217 119.914 -0.248 0.000 3.803 64 V HA 0.008 4.128 4.120 0.000 0.000 0.300 64 V C 0.925 176.758 176.094 -0.435 0.000 1.111 64 V CA -0.009 62.130 62.300 -0.267 0.000 1.189 64 V CB 0.606 32.317 31.823 -0.187 0.000 1.118 64 V HN 1.002 nan 8.190 nan 0.000 0.486 65 S N 1.226 116.634 115.700 -0.488 0.000 3.530 65 S HA 0.115 4.585 4.470 0.000 0.000 0.279 65 S C 0.960 175.047 174.600 -0.855 0.000 1.280 65 S CA 0.010 57.832 58.200 -0.630 0.000 0.946 65 S CB -1.149 61.694 63.200 -0.596 0.000 1.501 65 S HN 1.029 nan 8.310 nan 0.000 0.498 66 D N 4.448 124.327 120.400 -0.868 0.000 2.218 66 D HA -0.203 4.437 4.640 0.000 0.000 0.204 66 D C 1.701 177.606 176.300 -0.658 0.000 0.976 66 D CA 0.714 54.047 54.000 -1.110 0.000 0.853 66 D CB -0.278 40.048 40.800 -0.789 0.000 0.939 66 D HN 0.523 nan 8.370 nan 0.000 0.481 67 R N -0.239 119.894 120.500 -0.611 0.000 2.224 67 R HA -0.233 4.107 4.340 0.000 0.000 0.255 67 R C 1.053 177.117 176.300 -0.394 0.000 1.130 67 R CA 2.611 58.377 56.100 -0.557 0.000 0.957 67 R CB -0.454 29.389 30.300 -0.763 0.000 0.907 67 R HN 0.516 nan 8.270 nan 0.000 0.446 68 F N -4.992 114.921 119.950 -0.062 0.000 3.083 68 F HA 0.548 5.075 4.527 0.000 0.000 0.355 68 F C 0.144 175.995 175.800 0.084 0.000 1.194 68 F CA -0.149 57.868 58.000 0.029 0.000 1.027 68 F CB 0.176 39.187 39.000 0.018 0.000 1.386 68 F HN 0.080 nan 8.300 nan 0.000 0.513 69 G N -0.027 108.725 108.800 -0.080 0.000 2.619 69 G HA2 0.330 4.290 3.960 0.000 0.000 0.146 69 G HA3 0.330 4.290 3.960 0.000 0.000 0.146 69 G C -1.377 173.025 174.900 -0.832 0.000 1.192 69 G CA -0.716 44.348 45.100 -0.060 0.000 1.063 69 G HN -0.030 nan 8.290 nan 0.000 0.538 70 Q N 0.715 119.493 119.800 -1.703 0.000 3.970 70 Q HA -0.036 4.304 4.340 0.000 0.000 0.367 70 Q C -0.809 174.633 176.000 -0.929 0.000 1.189 70 Q CA 0.974 55.720 55.803 -1.762 0.000 1.212 70 Q CB -1.008 27.238 28.738 -0.821 0.000 1.037 70 Q HN 0.451 nan 8.270 nan 0.000 0.474 71 Y N -0.824 119.073 120.300 -0.670 0.000 2.780 71 Y HA 0.415 4.965 4.550 0.000 0.000 0.340 71 Y C 1.286 177.191 175.900 0.009 0.000 1.216 71 Y CA -1.170 56.837 58.100 -0.155 0.000 1.245 71 Y CB 0.608 39.082 38.460 0.023 0.000 1.492 71 Y HN 0.240 nan 8.280 nan 0.000 0.660 72 S N 0.629 116.471 115.700 0.235 0.000 2.560 72 S HA -0.069 4.401 4.470 0.000 0.000 0.276 72 S C -0.606 174.053 174.600 0.098 0.000 1.350 72 S CA -0.425 57.863 58.200 0.146 0.000 1.024 72 S CB -0.224 63.041 63.200 0.108 0.000 0.864 72 S HN 0.361 nan 8.310 nan 0.000 0.536 73 F N 3.061 123.095 119.950 0.139 0.000 2.539 73 F HA 0.049 4.576 4.527 0.000 0.000 0.393 73 F C 0.308 176.150 175.800 0.071 0.000 1.032 73 F CA -0.043 58.021 58.000 0.106 0.000 1.120 73 F CB -0.187 38.865 39.000 0.087 0.000 1.014 73 F HN 0.218 nan 8.300 nan 0.000 0.546 74 V N 5.800 125.021 119.914 -1.155 0.000 2.763 74 V HA -0.129 3.991 4.120 0.000 0.000 0.306 74 V C 0.692 176.581 176.094 -0.341 0.000 1.059 74 V CA -0.561 61.388 62.300 -0.584 0.000 1.138 74 V CB 0.344 31.883 31.823 -0.474 0.000 0.940 74 V HN 0.674 nan 8.190 nan 0.000 0.489 75 N N 3.339 121.926 118.700 -0.187 0.000 2.399 75 N HA -0.050 4.690 4.740 0.000 0.000 0.284 75 N C 1.245 176.686 175.510 -0.114 0.000 1.283 75 N CA 0.496 53.477 53.050 -0.114 0.000 0.972 75 N CB 0.053 38.453 38.487 -0.146 0.000 1.328 75 N HN 0.835 nan 8.380 nan 0.000 0.486 76 E N 2.571 122.763 120.200 -0.014 0.000 2.172 76 E HA -0.287 4.063 4.350 0.000 0.000 0.213 76 E C 1.372 177.931 176.600 -0.068 0.000 1.051 76 E CA 1.952 58.350 56.400 -0.003 0.000 0.860 76 E CB -0.114 29.621 29.700 0.059 0.000 0.755 76 E HN 0.786 nan 8.360 nan 0.000 0.462 77 G N 0.514 109.258 108.800 -0.093 0.000 2.394 77 G HA2 -0.247 3.713 3.960 0.000 0.000 0.215 77 G HA3 -0.247 3.713 3.960 0.000 0.000 0.215 77 G C 1.491 176.249 174.900 -0.237 0.000 1.165 77 G CA 0.716 45.737 45.100 -0.130 0.000 0.784 77 G HN 0.265 nan 8.290 nan 0.000 0.535 78 M N 1.146 120.552 119.600 -0.324 0.000 2.132 78 M HA -0.070 4.410 4.480 0.000 0.000 0.263 78 M C 2.871 178.820 176.300 -0.585 0.000 1.065 78 M CA 1.746 56.675 55.300 -0.619 0.000 1.122 78 M CB -0.149 32.093 32.600 -0.595 0.000 1.365 78 M HN 0.352 nan 8.290 nan 0.000 0.411 79 R N 0.055 120.368 120.500 -0.313 0.000 2.094 79 R HA -0.195 4.145 4.340 0.000 0.000 0.239 79 R C 1.743 177.953 176.300 -0.150 0.000 1.137 79 R CA 2.071 58.057 56.100 -0.188 0.000 0.943 79 R CB -1.208 29.017 30.300 -0.125 0.000 0.850 79 R HN 0.502 nan 8.270 nan 0.000 0.433 80 E N 0.691 120.805 120.200 -0.144 0.000 2.051 80 E HA -0.176 4.174 4.350 0.000 0.000 0.192 80 E C 2.298 178.814 176.600 -0.140 0.000 0.991 80 E CA 2.074 58.404 56.400 -0.116 0.000 0.799 80 E CB -0.238 29.413 29.700 -0.082 0.000 0.748 80 E HN 0.668 nan 8.360 nan 0.000 0.449 81 T N 0.192 114.650 114.554 -0.160 0.000 2.607 81 T HA -0.203 4.147 4.350 0.000 0.000 0.267 81 T C 1.828 176.554 174.700 0.044 0.000 1.049 81 T CA 1.267 63.304 62.100 -0.105 0.000 1.162 81 T CB -0.642 68.135 68.868 -0.152 0.000 0.863 81 T HN -0.027 nan 8.240 nan 0.000 0.424 82 F N 1.974 121.814 119.950 -0.183 0.000 2.120 82 F HA -0.018 4.509 4.527 0.000 0.000 0.300 82 F C 3.214 178.839 175.800 -0.291 0.000 1.095 82 F CA 0.495 58.367 58.000 -0.214 0.000 1.249 82 F CB -1.665 37.217 39.000 -0.197 0.000 0.995 82 F HN 0.322 nan 8.300 nan 0.000 0.480 83 S N -0.134 115.467 115.700 -0.165 0.000 2.370 83 S HA -0.171 4.299 4.470 0.000 0.000 0.226 83 S C 2.215 176.238 174.600 -0.962 0.000 1.033 83 S CA 1.144 59.079 58.200 -0.442 0.000 1.011 83 S CB -0.117 62.874 63.200 -0.349 0.000 0.852 83 S HN 0.156 nan 8.310 nan 0.000 0.457 84 K N 1.680 121.641 120.400 -0.732 0.000 2.063 84 K HA 0.031 4.351 4.320 0.000 0.000 0.208 84 K C 2.373 178.774 176.600 -0.332 0.000 1.048 84 K CA 1.321 57.220 56.287 -0.646 0.000 0.928 84 K CB -1.300 31.064 32.500 -0.226 0.000 0.713 84 K HN 0.460 nan 8.250 nan 0.000 0.442 85 A N 1.673 124.372 122.820 -0.202 0.000 1.883 85 A HA -0.176 4.144 4.320 0.000 0.000 0.217 85 A C 2.244 179.766 177.584 -0.103 0.000 1.186 85 A CA 1.551 53.524 52.037 -0.107 0.000 0.624 85 A CB -0.706 18.230 19.000 -0.106 0.000 0.822 85 A HN 0.234 nan 8.150 nan 0.000 0.444 86 L N -0.724 120.397 121.223 -0.171 0.000 2.127 86 L HA -0.109 4.231 4.340 0.000 0.000 0.211 86 L C 2.169 179.101 176.870 0.104 0.000 1.089 86 L CA 1.662 56.458 54.840 -0.073 0.000 0.757 86 L CB -0.700 41.300 42.059 -0.097 0.000 0.899 86 L HN 0.497 nan 8.230 nan 0.000 0.434 87 F N -0.550 119.378 119.950 -0.037 0.000 2.186 87 F HA -0.219 4.308 4.527 0.000 0.000 0.299 87 F C 2.058 177.833 175.800 -0.041 0.000 1.090 87 F CA 0.452 58.427 58.000 -0.042 0.000 1.307 87 F CB -0.493 38.481 39.000 -0.042 0.000 1.019 87 F HN 0.164 nan 8.300 nan 0.000 0.489 88 D N 1.188 121.679 120.400 0.153 0.000 2.154 88 D HA -0.241 4.399 4.640 0.000 0.000 0.190 88 D C 2.158 178.600 176.300 0.237 0.000 1.003 88 D CA 1.631 55.697 54.000 0.110 0.000 0.849 88 D CB -0.244 40.635 40.800 0.132 0.000 0.942 88 D HN 0.094 nan 8.370 nan 0.000 0.446 89 I N 0.738 121.428 120.570 0.201 0.000 2.286 89 I HA -0.205 3.965 4.170 0.000 0.000 0.248 89 I C 1.637 177.807 176.117 0.088 0.000 1.115 89 I CA 1.235 62.604 61.300 0.116 0.000 1.392 89 I CB -1.334 36.552 38.000 -0.189 0.000 1.065 89 I HN 0.155 nan 8.210 nan 0.000 0.418 90 N N 1.123 119.863 118.700 0.066 0.000 2.205 90 N HA -0.190 4.550 4.740 0.000 0.000 0.186 90 N C 1.829 177.373 175.510 0.056 0.000 1.015 90 N CA 1.122 54.197 53.050 0.043 0.000 0.862 90 N CB -0.250 38.260 38.487 0.039 0.000 0.986 90 N HN 0.390 nan 8.380 nan 0.000 0.429 91 M N -0.697 118.930 119.600 0.045 0.000 2.267 91 M HA -0.133 4.347 4.480 0.000 0.000 0.263 91 M C 0.801 177.151 176.300 0.083 0.000 1.063 91 M CA 1.284 56.541 55.300 -0.072 0.000 1.090 91 M CB -0.096 32.314 32.600 -0.317 0.000 1.392 91 M HN 0.283 nan 8.290 nan 0.000 0.422 92 W N 0.513 121.912 121.300 0.166 0.000 3.102 92 W HA 0.220 4.880 4.660 0.000 0.000 0.401 92 W C 1.567 178.273 176.519 0.312 0.000 1.070 92 W CA -0.340 57.187 57.345 0.304 0.000 1.921 92 W CB -0.432 29.360 29.460 0.553 0.000 1.118 92 W HN 0.419 nan 8.180 nan 0.000 0.647 93 Q N 1.562 121.563 119.800 0.336 0.000 2.096 93 Q HA -0.217 4.123 4.340 0.000 0.000 0.208 93 Q C -0.134 175.995 176.000 0.215 0.000 0.993 93 Q CA 2.425 58.359 55.803 0.218 0.000 0.862 93 Q CB -0.866 27.928 28.738 0.094 0.000 0.915 93 Q HN 0.023 nan 8.270 nan 0.000 0.416 94 P HA -0.180 nan 4.420 nan 0.000 0.218 94 P C 1.251 178.586 177.300 0.058 0.000 1.148 94 P CA 1.004 64.165 63.100 0.101 0.000 0.822 94 P CB 0.006 31.751 31.700 0.075 0.000 0.784 95 L N -1.386 119.892 121.223 0.092 0.000 2.068 95 L HA 0.065 4.405 4.340 0.000 0.000 0.204 95 L C 2.528 179.320 176.870 -0.130 0.000 1.076 95 L CA 1.434 56.196 54.840 -0.129 0.000 0.753 95 L CB -1.543 40.351 42.059 -0.274 0.000 0.910 95 L HN -0.262 nan 8.230 nan 0.000 0.439 96 F N 0.339 120.326 119.950 0.062 0.000 2.063 96 F HA -0.349 4.178 4.527 0.000 0.000 0.298 96 F C 2.742 178.566 175.800 0.040 0.000 1.109 96 F CA 2.257 60.350 58.000 0.155 0.000 1.212 96 F CB -0.582 38.536 39.000 0.197 0.000 0.973 96 F HN 0.205 nan 8.300 nan 0.000 0.480 97 Q N -0.660 119.274 119.800 0.223 0.000 2.112 97 Q HA -0.238 4.102 4.340 0.000 0.000 0.206 97 Q C 2.399 178.414 176.000 0.024 0.000 0.987 97 Q CA 1.669 57.536 55.803 0.107 0.000 0.858 97 Q CB -0.422 28.366 28.738 0.083 0.000 0.905 97 Q HN 0.472 nan 8.270 nan 0.000 0.420 98 A N 0.262 123.061 122.820 -0.035 0.000 1.969 98 A HA -0.138 4.182 4.320 0.000 0.000 0.218 98 A C 2.114 179.612 177.584 -0.143 0.000 1.169 98 A CA 1.665 53.641 52.037 -0.101 0.000 0.635 98 A CB -0.713 18.186 19.000 -0.167 0.000 0.810 98 A HN 0.534 nan 8.150 nan 0.000 0.445 99 T N -3.184 111.261 114.554 -0.182 0.000 3.163 99 T HA 0.097 4.447 4.350 0.000 0.000 0.260 99 T C 0.653 175.315 174.700 -0.064 0.000 1.156 99 T CA 0.783 62.779 62.100 -0.173 0.000 1.072 99 T CB -0.361 68.376 68.868 -0.218 0.000 0.937 99 T HN 0.405 nan 8.240 nan 0.000 0.528 100 K N 1.305 121.695 120.400 -0.017 0.000 2.975 100 K HA -0.143 4.177 4.320 0.000 0.000 0.257 100 K C 0.487 177.113 176.600 0.043 0.000 1.005 100 K CA 1.254 57.551 56.287 0.018 0.000 0.738 100 K CB -2.658 29.843 32.500 0.002 0.000 1.236 100 K HN 0.771 nan 8.250 nan 0.000 0.483 101 T N -2.831 111.771 114.554 0.079 0.000 3.218 101 T HA 0.455 4.805 4.350 0.000 0.000 0.236 101 T C 1.132 175.941 174.700 0.183 0.000 1.005 101 T CA -0.207 61.952 62.100 0.099 0.000 1.055 101 T CB 0.535 69.421 68.868 0.029 0.000 1.136 101 T HN 0.674 nan 8.240 nan 0.000 0.577 102 G N 0.322 109.199 108.800 0.129 0.000 2.258 102 G HA2 -0.370 3.590 3.960 0.000 0.000 0.274 102 G HA3 -0.370 3.590 3.960 0.000 0.000 0.274 102 G C 1.349 176.327 174.900 0.131 0.000 1.021 102 G CA 0.093 45.260 45.100 0.113 0.000 0.798 102 G HN 0.815 nan 8.290 nan 0.000 0.507 103 C N 0.224 119.634 119.300 0.183 0.000 2.396 103 C HA 0.099 4.559 4.460 0.000 0.000 0.279 103 C C 2.603 177.610 174.990 0.030 0.000 1.229 103 C CA 1.396 60.506 59.018 0.153 0.000 1.801 103 C CB -1.255 26.602 27.740 0.196 0.000 2.050 103 C HN 1.769 nan 8.230 nan 0.000 0.491 104 G N 3.326 112.152 108.800 0.043 0.000 2.193 104 G HA2 0.161 4.121 3.960 0.000 0.000 0.275 104 G HA3 0.161 4.121 3.960 0.000 0.000 0.275 104 G C -1.633 173.275 174.900 0.013 0.000 0.882 104 G CA -0.170 44.947 45.100 0.028 0.000 1.135 104 G HN 0.721 nan 8.290 nan 0.000 0.349 105 P HA -0.075 nan 4.420 nan 0.000 0.250 105 P C 1.428 178.748 177.300 0.032 0.000 1.161 105 P CA -0.071 63.032 63.100 0.005 0.000 0.863 105 P CB 0.446 32.154 31.700 0.014 0.000 0.827 106 I N 3.931 124.519 120.570 0.030 0.000 2.161 106 I HA -0.365 3.805 4.170 0.000 0.000 0.246 106 I C 1.201 177.388 176.117 0.117 0.000 1.048 106 I CA 1.994 63.338 61.300 0.074 0.000 1.314 106 I CB -0.771 37.251 38.000 0.036 0.000 1.014 106 I HN 0.428 nan 8.210 nan 0.000 0.418 107 V N -1.404 118.559 119.914 0.081 0.000 5.981 107 V HA -0.248 3.872 4.120 0.000 0.000 0.233 107 V C 0.888 177.051 176.094 0.116 0.000 0.653 107 V CA 0.561 62.916 62.300 0.092 0.000 0.677 107 V CB -2.137 29.736 31.823 0.083 0.000 0.632 107 V HN 0.359 nan 8.190 nan 0.000 0.464 108 L N 3.607 124.845 121.223 0.026 0.000 2.103 108 L HA -0.206 4.134 4.340 0.000 0.000 0.215 108 L C 2.802 179.688 176.870 0.027 0.000 1.080 108 L CA 3.110 57.908 54.840 -0.070 0.000 0.764 108 L CB -0.390 41.604 42.059 -0.107 0.000 0.890 108 L HN 1.239 nan 8.230 nan 0.000 0.435 109 S N -2.390 113.336 115.700 0.044 0.000 2.407 109 S HA -0.262 4.208 4.470 0.000 0.000 0.235 109 S C 1.975 176.615 174.600 0.067 0.000 1.036 109 S CA 1.600 59.825 58.200 0.043 0.000 1.013 109 S CB -0.939 62.286 63.200 0.043 0.000 0.820 109 S HN 0.537 nan 8.310 nan 0.000 0.476 110 S N 1.434 117.211 115.700 0.128 0.000 2.402 110 S HA 0.093 4.563 4.470 0.000 0.000 0.229 110 S C 1.353 176.018 174.600 0.109 0.000 1.021 110 S CA 1.155 59.418 58.200 0.105 0.000 0.974 110 S CB -0.530 62.727 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 0.013 4.540 4.527 0.000 0.000 0.298 111 F C 1.973 177.627 175.800 -0.243 0.000 1.090 111 F CA 0.639 58.567 58.000 -0.121 0.000 1.323 111 F CB -1.516 37.431 39.000 -0.089 0.000 1.028 111 F HN 0.079 nan 8.300 nan 0.000 0.492 112 T N 0.364 114.898 114.554 -0.034 0.000 3.738 112 T HA 0.168 4.518 4.350 0.000 0.000 0.231 112 T C 0.217 174.765 174.700 -0.253 0.000 0.967 112 T CA -0.363 61.618 62.100 -0.197 0.000 1.227 112 T CB -1.316 67.476 68.868 -0.126 0.000 1.136 112 T HN 0.141 nan 8.240 nan 0.000 0.807 113 T N 0.675 114.912 114.554 -0.529 0.000 2.928 113 T HA 0.523 4.873 4.350 0.000 0.000 0.284 113 T C 0.598 175.173 174.700 -0.210 0.000 1.008 113 T CA -0.997 60.853 62.100 -0.418 0.000 1.057 113 T CB 1.145 69.772 68.868 -0.402 0.000 1.018 113 T HN 0.651 nan 8.240 nan 0.000 0.493 114 T N -0.161 114.445 114.554 0.087 0.000 2.902 114 T HA 0.310 4.660 4.350 0.000 0.000 0.301 114 T C 0.087 175.023 174.700 0.393 0.000 1.012 114 T CA -0.499 61.718 62.100 0.196 0.000 1.151 114 T CB 0.288 69.246 68.868 0.150 0.000 0.946 114 T HN 0.721 nan 8.240 nan 0.000 0.542 115 T N 2.325 117.107 114.554 0.380 0.000 2.792 115 T HA 0.546 4.896 4.350 0.000 0.000 0.280 115 T C -0.843 173.990 174.700 0.222 0.000 0.990 115 T CA -0.612 61.684 62.100 0.327 0.000 0.960 115 T CB 1.155 70.251 68.868 0.380 0.000 0.939 115 T HN 0.768 nan 8.240 nan 0.000 0.439 116 S N 2.955 118.745 115.700 0.149 0.000 2.779 116 S HA 0.789 5.259 4.470 0.000 0.000 0.293 116 S C 0.081 174.726 174.600 0.075 0.000 1.150 116 S CA 0.356 58.616 58.200 0.100 0.000 1.057 116 S CB 0.387 63.634 63.200 0.077 0.000 1.021 116 S HN 1.273 nan 8.310 nan 0.000 0.485 117 G N 3.516 112.339 108.800 0.038 0.000 2.534 117 G HA2 0.158 4.118 3.960 0.000 0.000 0.142 117 G HA3 0.158 4.118 3.960 0.000 0.000 0.142 117 G C -1.967 172.855 174.900 -0.131 0.000 1.178 117 G CA -0.616 44.474 45.100 -0.016 0.000 1.037 117 G HN 0.513 nan 8.290 nan 0.000 0.474 118 Y N 0.334 120.725 120.300 0.151 0.000 2.308 118 Y HA 0.539 5.089 4.550 0.000 0.000 0.329 118 Y C 0.514 176.566 175.900 0.254 0.000 1.111 118 Y CA -0.397 57.790 58.100 0.145 0.000 1.179 118 Y CB 1.970 40.477 38.460 0.078 0.000 1.201 118 Y HN 0.261 nan 8.280 nan 0.000 0.483 119 V N 3.057 123.127 119.914 0.260 0.000 2.334 119 V HA 0.860 4.980 4.120 0.000 0.000 0.281 119 V C 0.203 176.433 176.094 0.227 0.000 1.016 119 V CA -0.497 61.966 62.300 0.271 0.000 0.832 119 V CB 0.699 32.633 31.823 0.184 0.000 0.999 119 V HN 0.936 nan 8.190 nan 0.000 0.439 120 G N 2.373 111.378 108.800 0.342 0.000 2.616 120 G HA2 0.571 4.531 3.960 0.000 0.000 0.294 120 G HA3 0.571 4.531 3.960 0.000 0.000 0.294 120 G C 0.342 175.476 174.900 0.389 0.000 1.489 120 G CA 0.121 45.363 45.100 0.237 0.000 0.836 120 G HN 0.760 nan 8.290 nan 0.000 0.527 121 A N 0.188 123.148 122.820 0.233 0.000 1.873 121 A HA 0.240 4.560 4.320 0.000 0.000 0.218 121 A C 1.776 179.530 177.584 0.284 0.000 1.193 121 A CA 2.679 54.855 52.037 0.231 0.000 0.629 121 A CB -0.936 18.145 19.000 0.135 0.000 0.826 121 A HN 1.984 nan 8.150 nan 0.000 0.447 122 T N -5.240 109.413 114.554 0.164 0.000 2.918 122 T HA 0.677 5.027 4.350 0.000 0.000 0.286 122 T C 1.016 175.591 174.700 -0.209 0.000 1.026 122 T CA -0.055 62.112 62.100 0.112 0.000 1.031 122 T CB 1.690 70.585 68.868 0.045 0.000 1.046 122 T HN 0.769 nan 8.240 nan 0.000 0.479 123 A N 2.431 125.021 122.820 -0.384 0.000 1.896 123 A HA 0.021 4.341 4.320 0.000 0.000 0.220 123 A C 2.439 179.730 177.584 -0.488 0.000 1.206 123 A CA 2.728 54.283 52.037 -0.803 0.000 0.647 123 A CB -1.977 16.790 19.000 -0.389 0.000 0.828 123 A HN 1.468 nan 8.150 nan 0.000 0.455 124 G N 0.899 109.550 108.800 -0.248 0.000 2.859 124 G HA2 -0.514 3.446 3.960 0.000 0.000 0.236 124 G HA3 -0.514 3.446 3.960 0.000 0.000 0.236 124 G C 1.056 175.858 174.900 -0.164 0.000 1.207 124 G CA 2.353 47.355 45.100 -0.164 0.000 0.769 124 G HN 0.810 nan 8.290 nan 0.000 0.674 125 D N 0.878 121.200 120.400 -0.131 0.000 2.149 125 D HA 0.154 4.794 4.640 0.000 0.000 0.198 125 D C 2.421 178.651 176.300 -0.118 0.000 0.990 125 D CA 1.959 55.903 54.000 -0.094 0.000 0.839 125 D CB -0.706 40.075 40.800 -0.033 0.000 0.948 125 D HN 0.501 nan 8.370 nan 0.000 0.460 126 A N 0.430 123.103 122.820 -0.245 0.000 2.015 126 A HA -0.014 4.306 4.320 0.000 0.000 0.219 126 A C 2.335 179.790 177.584 -0.216 0.000 1.163 126 A CA 1.007 52.869 52.037 -0.292 0.000 0.646 126 A CB -0.904 17.576 19.000 -0.867 0.000 0.806 126 A HN 0.334 nan 8.150 nan 0.000 0.448 127 L N -0.403 120.630 121.223 -0.317 0.000 2.081 127 L HA -0.268 4.072 4.340 0.000 0.000 0.212 127 L C 1.861 178.703 176.870 -0.046 0.000 1.080 127 L CA 1.844 56.528 54.840 -0.261 0.000 0.754 127 L CB -0.813 41.103 42.059 -0.240 0.000 0.893 127 L HN 0.292 nan 8.230 nan 0.000 0.433 128 D N -0.839 119.551 120.400 -0.015 0.000 2.224 128 D HA -0.083 4.557 4.640 0.000 0.000 0.205 128 D C 0.719 177.062 176.300 0.071 0.000 0.965 128 D CA 0.771 54.790 54.000 0.031 0.000 0.852 128 D CB -0.125 40.671 40.800 -0.007 0.000 0.947 128 D HN 0.219 nan 8.370 nan 0.000 0.494 129 N N 0.335 119.097 118.700 0.104 0.000 2.483 129 N HA 0.279 5.019 4.740 0.000 0.000 0.267 129 N C -2.875 172.649 175.510 0.023 0.000 0.998 129 N CA -1.815 51.268 53.050 0.056 0.000 0.918 129 N CB 1.863 40.372 38.487 0.036 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 -1.295 175.861 177.300 -0.239 0.000 1.412 130 P CA -0.662 62.168 63.100 -0.451 0.000 0.985 130 P CB 2.134 33.316 31.700 -0.863 0.000 1.098 131 V N 3.110 122.918 119.914 -0.177 0.000 2.305 131 V HA 0.226 4.346 4.120 0.000 0.000 0.275 131 V C 0.599 176.651 176.094 -0.069 0.000 1.020 131 V CA -0.363 61.870 62.300 -0.112 0.000 0.811 131 V CB 1.060 32.816 31.823 -0.111 0.000 1.031 131 V HN 0.647 nan 8.190 nan 0.000 0.439 132 T N 1.380 115.889 114.554 -0.075 0.000 2.851 132 T HA 0.258 4.608 4.350 0.000 0.000 0.298 132 T C 0.534 175.240 174.700 0.009 0.000 0.977 132 T CA -0.142 61.940 62.100 -0.031 0.000 1.126 132 T CB 0.063 68.907 68.868 -0.040 0.000 0.916 132 T HN 0.742 nan 8.240 nan 0.000 0.529 133 N N 1.560 120.291 118.700 0.052 0.000 2.669 133 N HA -0.144 4.596 4.740 0.000 0.000 0.266 133 N C 0.609 176.191 175.510 0.120 0.000 1.024 133 N CA 0.747 53.850 53.050 0.088 0.000 0.766 133 N CB -1.007 37.520 38.487 0.066 0.000 0.898 133 N HN 1.007 nan 8.380 nan 0.000 0.548 134 G N -0.345 108.576 108.800 0.202 0.000 2.882 134 G HA2 0.706 4.666 3.960 0.000 0.000 0.164 134 G HA3 0.706 4.666 3.960 0.000 0.000 0.164 134 G C -0.208 174.907 174.900 0.359 0.000 1.429 134 G CA 0.142 45.470 45.100 0.381 0.000 1.059 134 G HN 0.827 nan 8.290 nan 0.000 0.581 135 V N -2.246 117.915 119.914 0.411 0.000 2.932 135 V HA 0.783 4.903 4.120 0.000 0.000 0.307 135 V C -0.882 175.095 176.094 -0.194 0.000 1.147 135 V CA -1.146 61.168 62.300 0.024 0.000 0.951 135 V CB 1.148 32.911 31.823 -0.101 0.000 1.031 135 V HN 1.023 nan 8.190 nan 0.000 0.426 136 F N 3.114 123.007 119.950 -0.094 0.000 2.594 136 F HA 0.943 5.470 4.527 0.000 0.000 0.335 136 F C -0.883 174.907 175.800 -0.017 0.000 1.058 136 F CA -1.555 56.408 58.000 -0.061 0.000 0.981 136 F CB 1.845 40.880 39.000 0.059 0.000 1.289 136 F HN 0.695 nan 8.300 nan 0.000 0.490 137 I N 1.469 122.047 120.570 0.013 0.000 2.686 137 I HA 0.435 4.605 4.170 0.000 0.000 0.295 137 I C -0.942 175.320 176.117 0.243 0.000 1.114 137 I CA -0.570 60.728 61.300 -0.003 0.000 1.038 137 I CB 2.136 40.084 38.000 -0.087 0.000 1.238 137 I HN 0.881 nan 8.210 nan 0.000 0.420 138 S N 3.275 119.158 115.700 0.304 0.000 2.554 138 S HA 0.222 4.692 4.470 0.000 0.000 0.278 138 S C 1.338 175.820 174.600 -0.196 0.000 1.242 138 S CA 0.198 58.459 58.200 0.101 0.000 1.051 138 S CB 1.293 64.805 63.200 0.521 0.000 0.986 138 S HN 0.843 nan 8.310 nan 0.000 0.502 139 T N 3.092 117.325 114.554 -0.536 0.000 2.620 139 T HA -0.205 4.145 4.350 0.000 0.000 0.267 139 T C 1.798 176.480 174.700 -0.029 0.000 1.044 139 T CA 2.190 64.144 62.100 -0.243 0.000 1.161 139 T CB -1.322 67.483 68.868 -0.105 0.000 0.862 139 T HN 0.510 nan 8.240 nan 0.000 0.438 140 V N 2.303 122.256 119.914 0.065 0.000 2.231 140 V HA -0.305 3.815 4.120 0.000 0.000 0.248 140 V C 3.019 179.183 176.094 0.116 0.000 1.054 140 V CA 2.432 64.793 62.300 0.102 0.000 1.015 140 V CB -1.199 30.713 31.823 0.148 0.000 0.638 140 V HN 0.551 nan 8.190 nan 0.000 0.444 141 Q N -0.074 119.822 119.800 0.160 0.000 2.030 141 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 141 Q C 2.296 178.480 176.000 0.306 0.000 0.986 141 Q CA 2.395 58.359 55.803 0.269 0.000 0.843 141 Q CB -0.490 28.439 28.738 0.318 0.000 0.904 141 Q HN 0.866 nan 8.270 nan 0.000 0.420 142 I N -1.937 118.707 120.570 0.122 0.000 2.264 142 I HA -0.288 3.882 4.170 0.000 0.000 0.248 142 I C 2.463 178.580 176.117 0.000 0.000 1.111 142 I CA 1.008 62.313 61.300 0.007 0.000 1.382 142 I CB -0.557 37.416 38.000 -0.045 0.000 1.060 142 I HN 0.199 nan 8.210 nan 0.000 0.418 143 M N 2.415 122.029 119.600 0.024 0.000 2.110 143 M HA -0.293 4.187 4.480 0.000 0.000 0.257 143 M C 1.998 178.319 176.300 0.033 0.000 1.071 143 M CA 2.438 57.750 55.300 0.020 0.000 1.096 143 M CB -1.335 31.284 32.600 0.032 0.000 1.300 143 M HN 0.424 nan 8.290 nan 0.000 0.411 144 N N -0.153 118.601 118.700 0.090 0.000 2.188 144 N HA -0.140 4.600 4.740 0.000 0.000 0.184 144 N C 1.565 177.159 175.510 0.140 0.000 1.018 144 N CA 1.100 54.219 53.050 0.116 0.000 0.858 144 N CB -0.228 38.345 38.487 0.142 0.000 0.989 144 N HN 0.212 nan 8.380 nan 0.000 0.426 145 L N 1.565 122.888 121.223 0.166 0.000 1.971 145 L HA -0.267 4.073 4.340 0.000 0.000 0.215 145 L C 1.986 178.763 176.870 -0.155 0.000 1.072 145 L CA 1.813 56.600 54.840 -0.089 0.000 0.758 145 L CB -0.764 40.995 42.059 -0.499 0.000 0.889 145 L HN 0.223 nan 8.230 nan 0.000 0.433 146 Q N -0.750 118.954 119.800 -0.159 0.000 2.077 146 Q HA -0.307 4.033 4.340 0.000 0.000 0.206 146 Q C 2.352 178.287 176.000 -0.109 0.000 0.989 146 Q CA 2.151 57.853 55.803 -0.168 0.000 0.853 146 Q CB -0.556 28.091 28.738 -0.153 0.000 0.907 146 Q HN 0.514 nan 8.270 nan 0.000 0.418 147 R N 0.529 120.995 120.500 -0.056 0.000 2.112 147 R HA -0.216 4.124 4.340 0.000 0.000 0.242 147 R C 2.111 178.393 176.300 -0.030 0.000 1.137 147 R CA 2.328 58.410 56.100 -0.030 0.000 0.944 147 R CB -0.616 29.684 30.300 -0.001 0.000 0.857 147 R HN 0.403 nan 8.270 nan 0.000 0.435 148 T N 0.945 115.487 114.554 -0.020 0.000 2.652 148 T HA -0.159 4.191 4.350 0.000 0.000 0.267 148 T C 2.109 176.777 174.700 -0.053 0.000 1.039 148 T CA 1.757 63.846 62.100 -0.018 0.000 1.153 148 T CB -0.450 68.424 68.868 0.010 0.000 0.863 148 T HN 0.257 nan 8.240 nan 0.000 0.428 149 I N 1.846 122.356 120.570 -0.100 0.000 2.208 149 I HA -0.202 3.968 4.170 0.000 0.000 0.245 149 I C 3.102 179.158 176.117 -0.102 0.000 1.097 149 I CA 1.250 62.474 61.300 -0.127 0.000 1.363 149 I CB -0.600 37.279 38.000 -0.203 0.000 1.051 149 I HN 0.286 nan 8.210 nan 0.000 0.413 150 A N 0.657 123.420 122.820 -0.095 0.000 1.933 150 A HA -0.159 4.161 4.320 0.000 0.000 0.218 150 A C 2.530 180.077 177.584 -0.062 0.000 1.175 150 A CA 1.848 53.838 52.037 -0.078 0.000 0.628 150 A CB -0.743 18.214 19.000 -0.071 0.000 0.814 150 A HN 0.445 nan 8.150 nan 0.000 0.444 151 A N -0.352 122.440 122.820 -0.047 0.000 1.930 151 A HA -0.116 4.204 4.320 0.000 0.000 0.217 151 A C 2.229 179.799 177.584 -0.024 0.000 1.175 151 A CA 1.420 53.438 52.037 -0.032 0.000 0.627 151 A CB -0.421 18.572 19.000 -0.011 0.000 0.815 151 A HN 0.542 nan 8.150 nan 0.000 0.443 152 R N -1.064 119.437 120.500 0.001 0.000 2.073 152 R HA -0.112 4.228 4.340 0.000 0.000 0.234 152 R C 2.286 178.582 176.300 -0.007 0.000 1.134 152 R CA 1.728 57.874 56.100 0.076 0.000 0.952 152 R CB -0.376 29.909 30.300 -0.025 0.000 0.850 152 R HN 0.429 nan 8.270 nan 0.000 0.433 153 M N 0.570 120.127 119.600 -0.072 0.000 2.080 153 M HA -0.177 4.303 4.480 0.000 0.000 0.260 153 M C 2.063 178.260 176.300 -0.171 0.000 1.068 153 M CA 1.804 57.035 55.300 -0.115 0.000 1.109 153 M CB -0.829 31.728 32.600 -0.072 0.000 1.342 153 M HN 0.140 nan 8.290 nan 0.000 0.405 154 R N -0.199 120.221 120.500 -0.133 0.000 2.237 154 R HA -0.110 4.230 4.340 0.000 0.000 0.219 154 R C 1.531 177.702 176.300 -0.216 0.000 1.080 154 R CA 1.254 57.266 56.100 -0.146 0.000 0.995 154 R CB -0.525 29.722 30.300 -0.088 0.000 0.875 154 R HN 0.376 nan 8.270 nan 0.000 0.462 155 D N 0.438 120.663 120.400 -0.292 0.000 2.234 155 D HA -0.084 4.556 4.640 0.000 0.000 0.205 155 D C 1.531 177.194 176.300 -1.062 0.000 0.962 155 D CA 0.420 54.117 54.000 -0.504 0.000 0.855 155 D CB 0.319 40.842 40.800 -0.462 0.000 0.951 155 D HN 0.043 nan 8.370 nan 0.000 0.500 156 V N -0.308 118.961 119.914 -1.075 0.000 3.406 156 V HA 0.223 4.343 4.120 0.000 0.000 0.263 156 V C 2.037 177.704 176.094 -0.712 0.000 1.172 156 V CA 1.093 62.510 62.300 -1.470 0.000 1.140 156 V CB -0.225 30.775 31.823 -1.372 0.000 0.784 156 V HN 0.275 nan 8.190 nan 0.000 0.467 157 A N 0.025 122.611 122.820 -0.391 0.000 2.032 157 A HA -0.173 4.147 4.320 0.000 0.000 0.221 157 A C 2.052 179.645 177.584 0.015 0.000 1.165 157 A CA 2.070 54.028 52.037 -0.132 0.000 0.645 157 A CB -0.404 18.539 19.000 -0.095 0.000 0.807 157 A HN 0.578 nan 8.150 nan 0.000 0.453 158 L N -2.481 118.779 121.223 0.061 0.000 2.131 158 L HA -0.135 4.205 4.340 0.000 0.000 0.206 158 L C 2.569 179.780 176.870 0.568 0.000 1.087 158 L CA 0.658 55.688 54.840 0.317 0.000 0.767 158 L CB -0.500 41.772 42.059 0.354 0.000 0.917 158 L HN 0.560 nan 8.230 nan 0.000 0.441 159 W N 0.815 122.218 121.300 0.170 0.000 2.379 159 W HA -0.121 4.539 4.660 0.000 0.000 0.307 159 W C 2.686 179.462 176.519 0.429 0.000 1.200 159 W CA 0.279 57.793 57.345 0.281 0.000 1.297 159 W CB -1.250 28.138 29.460 -0.120 0.000 1.140 159 W HN 0.169 nan 8.180 nan 0.000 0.507 160 Q N 0.453 120.500 119.800 0.412 0.000 2.062 160 Q HA -0.243 4.097 4.340 0.000 0.000 0.209 160 Q C 2.301 178.522 176.000 0.369 0.000 0.996 160 Q CA 1.874 57.927 55.803 0.417 0.000 0.859 160 Q CB -0.574 28.323 28.738 0.265 0.000 0.920 160 Q HN 0.053 nan 8.270 nan 0.000 0.415 161 K N 0.479 121.046 120.400 0.278 0.000 2.020 161 K HA -0.218 4.102 4.320 0.000 0.000 0.212 161 K C 1.880 178.576 176.600 0.160 0.000 1.050 161 K CA 1.920 58.308 56.287 0.167 0.000 0.929 161 K CB -0.385 32.178 32.500 0.106 0.000 0.714 161 K HN 0.391 nan 8.250 nan 0.000 0.443 162 H N 0.146 119.339 119.070 0.206 0.000 2.319 162 H HA -0.163 4.393 4.556 0.000 0.000 0.299 162 H C 1.940 177.316 175.328 0.081 0.000 1.092 162 H CA 1.825 57.936 56.048 0.106 0.000 1.302 162 H CB -0.150 29.667 29.762 0.092 0.000 1.373 162 H HN 0.105 nan 8.280 nan 0.000 0.497 163 L N 0.920 122.407 121.223 0.440 0.000 2.013 163 L HA -0.233 4.107 4.340 0.000 0.000 0.212 163 L C 1.451 178.494 176.870 0.288 0.000 1.073 163 L CA 1.947 57.049 54.840 0.437 0.000 0.753 163 L CB -0.467 41.994 42.059 0.671 0.000 0.890 163 L HN 0.223 nan 8.230 nan 0.000 0.432 164 D N -0.740 119.814 120.400 0.257 0.000 2.133 164 D HA -0.226 4.414 4.640 0.000 0.000 0.195 164 D C 2.266 178.625 176.300 0.097 0.000 0.997 164 D CA 2.094 56.190 54.000 0.160 0.000 0.840 164 D CB -0.655 40.236 40.800 0.152 0.000 0.947 164 D HN 0.646 nan 8.370 nan 0.000 0.452 165 T N -0.943 113.662 114.554 0.084 0.000 2.708 165 T HA -0.089 4.261 4.350 0.000 0.000 0.266 165 T C 2.118 176.852 174.700 0.055 0.000 1.037 165 T CA 1.899 64.026 62.100 0.045 0.000 1.146 165 T CB -0.552 68.318 68.868 0.002 0.000 0.865 165 T HN 0.115 nan 8.240 nan 0.000 0.435 166 A N 2.744 125.606 122.820 0.070 0.000 1.873 166 A HA -0.075 4.245 4.320 0.000 0.000 0.218 166 A C 2.555 180.196 177.584 0.096 0.000 1.193 166 A CA 2.358 54.446 52.037 0.085 0.000 0.629 166 A CB -0.873 18.182 19.000 0.092 0.000 0.826 166 A HN 0.509 nan 8.150 nan 0.000 0.447 167 M N 0.261 119.903 119.600 0.070 0.000 2.358 167 M HA -0.089 4.391 4.480 0.000 0.000 0.264 167 M C 2.054 178.364 176.300 0.016 0.000 1.064 167 M CA 1.983 57.284 55.300 0.001 0.000 1.093 167 M CB -1.739 30.799 32.600 -0.104 0.000 1.401 167 M HN 0.769 nan 8.290 nan 0.000 0.440 168 T N -3.330 111.251 114.554 0.045 0.000 3.023 168 T HA 0.056 4.406 4.350 0.000 0.000 0.249 168 T C 1.710 176.457 174.700 0.078 0.000 1.050 168 T CA -0.001 62.132 62.100 0.055 0.000 1.088 168 T CB -0.173 68.719 68.868 0.040 0.000 0.946 168 T HN 0.143 nan 8.240 nan 0.000 0.480 169 M N 1.364 121.009 119.600 0.075 0.000 2.426 169 M HA 0.171 4.651 4.480 0.000 0.000 0.261 169 M C -0.081 176.281 176.300 0.104 0.000 1.068 169 M CA 1.196 56.543 55.300 0.077 0.000 1.066 169 M CB -0.943 31.690 32.600 0.056 0.000 1.399 169 M HN 0.367 nan 8.290 nan 0.000 0.449 170 L N 0.630 121.937 121.223 0.140 0.000 2.420 170 L HA 0.145 4.485 4.340 0.000 0.000 0.260 170 L C 0.072 177.090 176.870 0.245 0.000 1.508 170 L CA -0.487 54.483 54.840 0.216 0.000 0.835 170 L CB 0.775 42.904 42.059 0.116 0.000 1.018 170 L HN -0.165 nan 8.230 nan 0.000 0.520 171 T N 3.843 118.531 114.554 0.223 0.000 2.609 171 T HA 0.024 4.374 4.350 0.000 0.000 0.257 171 T C -1.328 173.453 174.700 0.134 0.000 1.032 171 T CA -0.288 61.900 62.100 0.148 0.000 1.244 171 T CB 0.293 69.217 68.868 0.093 0.000 1.003 171 T HN 0.273 nan 8.240 nan 0.000 0.507 172 P HA 0.185 nan 4.420 nan 0.000 0.269 172 P C -0.783 176.376 177.300 -0.235 0.000 1.601 172 P CA -0.080 62.882 63.100 -0.231 0.000 0.831 172 P CB -0.214 31.261 31.700 -0.375 0.000 1.688 173 D N 0.691 121.041 120.400 -0.083 0.000 2.464 173 D HA 0.272 4.912 4.640 0.000 0.000 0.243 173 D C -0.215 176.070 176.300 -0.026 0.000 1.104 173 D CA -0.164 53.794 54.000 -0.072 0.000 0.883 173 D CB 0.795 41.570 40.800 -0.042 0.000 1.050 173 D HN -0.013 nan 8.370 nan 0.000 0.524 174 I N 2.710 123.245 120.570 -0.059 0.000 2.428 174 I HA 0.058 4.228 4.170 0.000 0.000 0.279 174 I C 1.464 177.563 176.117 -0.030 0.000 1.040 174 I CA -0.257 61.031 61.300 -0.020 0.000 1.171 174 I CB 1.001 38.996 38.000 -0.008 0.000 1.312 174 I HN 0.303 nan 8.210 nan 0.000 0.470 175 S N 3.965 119.658 115.700 -0.012 0.000 2.469 175 S HA 0.072 4.542 4.470 0.000 0.000 0.238 175 S C 0.892 175.490 174.600 -0.004 0.000 0.998 175 S CA 0.419 58.614 58.200 -0.007 0.000 0.957 175 S CB 0.109 63.309 63.200 -0.001 0.000 0.764 175 S HN 0.674 nan 8.310 nan 0.000 0.514 176 A N -0.097 122.721 122.820 -0.004 0.000 2.530 176 A HA 0.703 5.023 4.320 0.000 0.000 0.279 176 A C 0.711 178.294 177.584 -0.001 0.000 1.109 176 A CA -0.204 51.832 52.037 -0.002 0.000 0.763 176 A CB 0.354 19.354 19.000 0.001 0.000 1.257 176 A HN 1.375 nan 8.150 nan 0.000 0.424 177 G N 1.485 110.282 108.800 -0.007 0.000 2.650 177 G HA2 0.236 4.196 3.960 0.000 0.000 0.264 177 G HA3 0.236 4.196 3.960 0.000 0.000 0.264 177 G C 0.213 175.103 174.900 -0.017 0.000 1.263 177 G CA 0.329 45.425 45.100 -0.007 0.000 0.960 177 G HN 2.655 nan 8.290 nan 0.000 0.548 178 S N -0.888 114.808 115.700 -0.007 0.000 2.548 178 S HA 0.876 5.346 4.470 0.000 0.000 0.278 178 S C -0.571 174.041 174.600 0.020 0.000 1.150 178 S CA 0.636 58.825 58.200 -0.017 0.000 0.907 178 S CB 1.388 64.577 63.200 -0.018 0.000 1.108 178 S HN 2.474 nan 8.310 nan 0.000 0.459 179 A N 1.358 124.184 122.820 0.010 0.000 2.380 179 A HA 0.969 5.289 4.320 0.000 0.000 0.315 179 A C -0.316 177.283 177.584 0.024 0.000 1.101 179 A CA -0.861 51.237 52.037 0.101 0.000 0.771 179 A CB 1.996 21.174 19.000 0.297 0.000 1.287 179 A HN 1.205 nan 8.150 nan 0.000 0.436 180 S N -0.706 115.075 115.700 0.136 0.000 2.546 180 S HA 0.659 5.129 4.470 0.000 0.000 0.272 180 S C -1.363 173.358 174.600 0.202 0.000 1.140 180 S CA -0.277 58.002 58.200 0.133 0.000 0.920 180 S CB 1.256 64.495 63.200 0.065 0.000 1.083 180 S HN 1.796 nan 8.310 nan 0.000 0.476 181 C N 3.946 123.362 119.300 0.193 0.000 3.285 181 C HA 0.582 5.042 4.460 0.000 0.000 0.325 181 C C -0.840 174.099 174.990 -0.085 0.000 1.304 181 C CA -0.843 58.173 59.018 -0.004 0.000 1.319 181 C CB 1.229 28.834 27.740 -0.224 0.000 1.640 181 C HN 0.975 nan 8.230 nan 0.000 0.477 182 N N 2.300 120.954 118.700 -0.077 0.000 2.394 182 N HA -0.038 4.702 4.740 0.000 0.000 0.277 182 N C 0.843 176.334 175.510 -0.031 0.000 1.346 182 N CA 0.379 53.407 53.050 -0.037 0.000 0.910 182 N CB 0.102 38.558 38.487 -0.051 0.000 1.201 182 N HN 0.890 nan 8.380 nan 0.000 0.488 183 W N 3.743 124.950 121.300 -0.155 0.000 2.363 183 W HA -0.219 4.441 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 0.271 57.536 57.345 -0.135 0.000 1.260 183 W CB 0.250 29.744 29.460 0.058 0.000 1.131 183 W HN 0.589 nan 8.180 nan 0.000 0.530 184 K N -0.024 120.402 120.400 0.043 0.000 2.020 184 K HA -0.220 4.100 4.320 0.000 0.000 0.212 184 K C 1.995 178.455 176.600 -0.233 0.000 1.050 184 K CA 2.064 58.271 56.287 -0.134 0.000 0.929 184 K CB -0.854 31.572 32.500 -0.123 0.000 0.714 184 K HN -0.016 nan 8.250 nan 0.000 0.443 185 S N 1.625 117.188 115.700 -0.228 0.000 2.368 185 S HA -0.184 4.286 4.470 0.000 0.000 0.226 185 S C 2.060 176.528 174.600 -0.221 0.000 1.044 185 S CA 1.481 59.502 58.200 -0.298 0.000 1.062 185 S CB -0.445 62.627 63.200 -0.213 0.000 0.931 185 S HN 0.159 nan 8.310 nan 0.000 0.440 186 L N 1.086 122.223 121.223 -0.144 0.000 1.970 186 L HA -0.142 4.198 4.340 0.000 0.000 0.212 186 L C 2.363 179.225 176.870 -0.012 0.000 1.071 186 L CA 1.283 56.072 54.840 -0.085 0.000 0.751 186 L CB -0.797 41.141 42.059 -0.202 0.000 0.889 186 L HN 0.261 nan 8.230 nan 0.000 0.432 187 L N -0.384 120.801 121.223 -0.063 0.000 2.051 187 L HA -0.281 4.059 4.340 0.000 0.000 0.214 187 L C 2.780 179.589 176.870 -0.102 0.000 1.076 187 L CA 1.461 56.193 54.840 -0.180 0.000 0.758 187 L CB -0.894 40.922 42.059 -0.404 0.000 0.890 187 L HN 0.323 nan 8.230 nan 0.000 0.433 188 A N -0.974 121.754 122.820 -0.153 0.000 1.930 188 A HA -0.141 4.179 4.320 0.000 0.000 0.215 188 A C 2.229 179.927 177.584 0.190 0.000 1.176 188 A CA 0.903 52.906 52.037 -0.056 0.000 0.632 188 A CB -0.701 18.172 19.000 -0.212 0.000 0.819 188 A HN 0.368 nan 8.150 nan 0.000 0.445 189 F N 0.333 120.175 119.950 -0.180 0.000 2.186 189 F HA -0.130 4.397 4.527 0.000 0.000 0.299 189 F C 2.738 178.608 175.800 0.116 0.000 1.090 189 F CA 0.466 58.539 58.000 0.122 0.000 1.307 189 F CB 0.023 39.032 39.000 0.014 0.000 1.019 189 F HN 0.336 nan 8.300 nan 0.000 0.489 190 A N 0.503 123.440 122.820 0.195 0.000 1.884 190 A HA -0.304 4.016 4.320 0.000 0.000 0.219 190 A C 2.007 179.664 177.584 0.121 0.000 1.197 190 A CA 2.224 54.324 52.037 0.105 0.000 0.637 190 A CB -0.734 18.302 19.000 0.061 0.000 0.827 190 A HN 0.381 nan 8.150 nan 0.000 0.450 191 K N -1.164 119.311 120.400 0.126 0.000 2.432 191 K HA -0.064 4.256 4.320 0.000 0.000 0.196 191 K C 1.227 177.907 176.600 0.133 0.000 1.038 191 K CA 1.014 57.362 56.287 0.101 0.000 0.986 191 K CB -0.043 32.497 32.500 0.066 0.000 0.782 191 K HN 0.563 nan 8.250 nan 0.000 0.485 192 D N 0.201 120.741 120.400 0.233 0.000 2.305 192 D HA -0.027 4.613 4.640 0.000 0.000 0.206 192 D C 1.386 177.800 176.300 0.190 0.000 0.974 192 D CA 0.642 54.768 54.000 0.209 0.000 0.871 192 D CB 0.428 41.397 40.800 0.282 0.000 0.947 192 D HN -0.046 nan 8.370 nan 0.000 0.516 193 I N 0.177 120.880 120.570 0.222 0.000 3.194 193 I HA 0.136 4.306 4.170 0.000 0.000 0.271 193 I C 0.940 177.110 176.117 0.088 0.000 1.150 193 I CA 0.094 61.489 61.300 0.158 0.000 1.440 193 I CB -0.983 37.102 38.000 0.141 0.000 1.276 193 I HN -0.015 nan 8.210 nan 0.000 0.457 194 L N 3.075 124.340 121.223 0.070 0.000 2.514 194 L HA 0.037 4.377 4.340 0.000 0.000 0.280 194 L C -1.942 174.946 176.870 0.029 0.000 1.223 194 L CA -1.131 53.734 54.840 0.041 0.000 0.864 194 L CB -0.335 41.743 42.059 0.031 0.000 1.118 194 L HN -0.073 nan 8.230 nan 0.000 0.494 195 P HA 0.050 nan 4.420 nan 0.000 0.267 195 P C 0.675 177.983 177.300 0.012 0.000 1.209 195 P CA -0.117 62.995 63.100 0.020 0.000 0.763 195 P CB 0.671 32.385 31.700 0.023 0.000 0.816 196 L N 2.368 123.593 121.223 0.005 0.000 2.051 196 L HA -0.255 4.085 4.340 0.000 0.000 0.214 196 L C 1.650 178.513 176.870 -0.013 0.000 1.076 196 L CA 1.760 56.594 54.840 -0.010 0.000 0.758 196 L CB -0.621 41.432 42.059 -0.011 0.000 0.890 196 L HN 0.464 nan 8.230 nan 0.000 0.433 197 D N -0.410 119.996 120.400 0.011 0.000 2.351 197 D HA -0.092 4.548 4.640 0.000 0.000 0.216 197 D C 0.458 176.799 176.300 0.068 0.000 0.968 197 D CA 0.471 54.489 54.000 0.030 0.000 0.899 197 D CB -0.537 40.288 40.800 0.042 0.000 0.907 197 D HN 0.426 nan 8.370 nan 0.000 0.514 198 N N 0.667 119.411 118.700 0.074 0.000 2.454 198 N HA 0.002 4.742 4.740 0.000 0.000 0.254 198 N C 1.373 176.810 175.510 -0.121 0.000 1.228 198 N CA -0.045 53.078 53.050 0.123 0.000 0.900 198 N CB 0.811 39.356 38.487 0.098 0.000 1.089 198 N HN 0.008 nan 8.380 nan 0.000 0.449 199 L N 0.474 121.433 121.223 -0.441 0.000 2.191 199 L HA -0.210 4.130 4.340 0.000 0.000 0.212 199 L C 1.740 178.406 176.870 -0.340 0.000 1.103 199 L CA 0.712 55.277 54.840 -0.459 0.000 0.769 199 L CB -0.343 41.403 42.059 -0.521 0.000 0.908 199 L HN 0.711 nan 8.230 nan 0.000 0.438 200 C N -0.245 118.729 119.300 -0.543 0.000 2.413 200 C HA -0.153 4.307 4.460 0.000 0.000 0.277 200 C C 2.563 177.418 174.990 -0.224 0.000 1.265 200 C CA 0.366 59.064 59.018 -0.533 0.000 1.752 200 C CB -0.789 26.664 27.740 -0.479 0.000 1.998 200 C HN 0.415 nan 8.230 nan 0.000 0.489 201 L N 1.255 122.356 121.223 -0.202 0.000 2.313 201 L HA -0.039 4.301 4.340 0.000 0.000 0.214 201 L C 2.714 179.443 176.870 -0.235 0.000 1.119 201 L CA 1.948 56.689 54.840 -0.165 0.000 0.809 201 L CB -1.058 40.933 42.059 -0.114 0.000 0.933 201 L HN 0.500 nan 8.230 nan 0.000 0.449 202 T N -3.767 110.531 114.554 -0.428 0.000 2.851 202 T HA -0.157 4.193 4.350 0.000 0.000 0.262 202 T C 1.108 175.349 174.700 -0.764 0.000 1.043 202 T CA 0.976 62.632 62.100 -0.741 0.000 1.140 202 T CB -0.517 67.595 68.868 -1.259 0.000 0.872 202 T HN 0.277 nan 8.240 nan 0.000 0.446 203 Y N 1.828 122.185 120.300 0.094 0.000 2.833 203 Y HA 0.346 4.896 4.550 0.000 0.000 0.339 203 Y C -1.705 174.349 175.900 0.258 0.000 1.032 203 Y CA -2.736 55.460 58.100 0.160 0.000 1.450 203 Y CB 0.370 38.903 38.460 0.123 0.000 1.296 203 Y HN 0.237 nan 8.280 nan 0.000 0.535 204 P HA -0.227 nan 4.420 nan 0.000 0.215 204 P C 1.041 178.446 177.300 0.175 0.000 1.163 204 P CA 1.710 64.885 63.100 0.125 0.000 0.894 204 P CB 0.356 32.051 31.700 -0.008 0.000 0.791 205 N N -1.110 117.640 118.700 0.084 0.000 2.036 205 N HA -0.190 4.550 4.740 0.000 0.000 0.195 205 N C 1.751 177.299 175.510 0.063 0.000 1.037 205 N CA 1.371 54.431 53.050 0.016 0.000 0.855 205 N CB -0.328 38.127 38.487 -0.055 0.000 1.033 205 N HN 0.074 nan 8.380 nan 0.000 0.423 206 E N -0.034 120.218 120.200 0.087 0.000 2.031 206 E HA -0.171 4.179 4.350 0.000 0.000 0.193 206 E C 2.010 178.707 176.600 0.162 0.000 0.994 206 E CA 1.009 57.438 56.400 0.048 0.000 0.800 206 E CB -0.534 29.104 29.700 -0.103 0.000 0.752 206 E HN 0.459 nan 8.360 nan 0.000 0.447 207 F N -0.032 120.039 119.950 0.202 0.000 2.126 207 F HA -0.257 4.270 4.527 0.000 0.000 0.299 207 F C 2.500 178.475 175.800 0.290 0.000 1.096 207 F CA 1.302 59.462 58.000 0.267 0.000 1.255 207 F CB -0.426 38.718 39.000 0.240 0.000 0.997 207 F HN 0.079 nan 8.300 nan 0.000 0.479 208 Y N 0.872 121.369 120.300 0.329 0.000 2.145 208 Y HA -0.331 4.219 4.550 0.000 0.000 0.286 208 Y C 2.372 178.402 175.900 0.218 0.000 1.145 208 Y CA 2.048 60.298 58.100 0.249 0.000 1.148 208 Y CB -0.687 37.872 38.460 0.166 0.000 0.981 208 Y HN 0.032 nan 8.280 nan 0.000 0.507 209 N N -0.346 118.531 118.700 0.296 0.000 2.036 209 N HA -0.226 4.514 4.740 0.000 0.000 0.195 209 N C 1.688 177.077 175.510 -0.203 0.000 1.037 209 N CA 2.310 55.376 53.050 0.026 0.000 0.855 209 N CB -0.508 37.934 38.487 -0.074 0.000 1.033 209 N HN 0.231 nan 8.380 nan 0.000 0.423 210 V N 0.807 120.732 119.914 0.018 0.000 2.233 210 V HA -0.266 3.854 4.120 0.000 0.000 0.247 210 V C 2.426 178.514 176.094 -0.009 0.000 1.050 210 V CA 2.030 64.347 62.300 0.028 0.000 1.010 210 V CB -1.448 30.393 31.823 0.030 0.000 0.637 210 V HN 0.501 nan 8.190 nan 0.000 0.444 211 A N 0.174 123.084 122.820 0.149 0.000 1.896 211 A HA -0.303 4.017 4.320 0.000 0.000 0.220 211 A C 2.122 179.748 177.584 0.069 0.000 1.206 211 A CA 2.693 54.879 52.037 0.249 0.000 0.647 211 A CB -0.808 18.444 19.000 0.420 0.000 0.828 211 A HN 0.480 nan 8.150 nan 0.000 0.455 212 I N -0.761 119.774 120.570 -0.058 0.000 2.264 212 I HA -0.238 3.932 4.170 0.000 0.000 0.248 212 I C 2.223 178.315 176.117 -0.041 0.000 1.111 212 I CA 1.505 62.748 61.300 -0.095 0.000 1.382 212 I CB -0.487 37.424 38.000 -0.150 0.000 1.060 212 I HN 0.397 nan 8.210 nan 0.000 0.418 213 H N -0.660 118.360 119.070 -0.083 0.000 2.495 213 H HA 0.036 4.592 4.556 0.000 0.000 0.287 213 H C 2.300 177.484 175.328 -0.239 0.000 1.033 213 H CA 0.956 56.931 56.048 -0.121 0.000 1.307 213 H CB -0.054 29.639 29.762 -0.116 0.000 1.401 213 H HN 0.314 nan 8.280 nan 0.000 0.555 214 R N -0.324 119.988 120.500 -0.314 0.000 2.146 214 R HA 0.026 4.366 4.340 0.000 0.000 0.206 214 R C -0.145 175.758 176.300 -0.661 0.000 1.049 214 R CA 0.236 55.964 56.100 -0.621 0.000 1.029 214 R CB 0.488 30.239 30.300 -0.916 0.000 0.949 214 R HN 0.129 nan 8.270 nan 0.000 0.471 215 Y N 0.348 120.614 120.300 -0.057 0.000 2.717 215 Y HA 0.325 4.875 4.550 0.000 0.000 0.329 215 Y C -1.906 173.873 175.900 -0.201 0.000 1.017 215 Y CA -2.753 55.277 58.100 -0.118 0.000 1.275 215 Y CB 1.380 39.776 38.460 -0.107 0.000 1.109 215 Y HN 0.073 nan 8.280 nan 0.000 0.511 216 P HA -0.239 nan 4.420 nan 0.000 0.219 216 P C 1.467 178.404 177.300 -0.604 0.000 1.146 216 P CA 1.650 64.348 63.100 -0.670 0.000 0.808 216 P CB 0.312 31.611 31.700 -0.668 0.000 0.779 217 A N -1.348 121.285 122.820 -0.312 0.000 2.194 217 A HA -0.092 4.228 4.320 0.000 0.000 0.220 217 A C 0.873 178.272 177.584 -0.308 0.000 1.162 217 A CA 1.142 53.012 52.037 -0.280 0.000 0.674 217 A CB -1.018 17.830 19.000 -0.254 0.000 0.789 217 A HN 0.187 nan 8.150 nan 0.000 0.470 218 L N -1.117 119.975 121.223 -0.218 0.000 2.386 218 L HA 0.563 4.903 4.340 0.000 0.000 0.271 218 L C -0.629 176.235 176.870 -0.010 0.000 0.993 218 L CA -0.944 53.809 54.840 -0.145 0.000 0.819 218 L CB 2.144 44.178 42.059 -0.042 0.000 1.294 218 L HN -0.112 nan 8.230 nan 0.000 0.414 219 K N 3.070 123.539 120.400 0.116 0.000 2.259 219 K HA 0.536 4.856 4.320 0.000 0.000 0.249 219 K C -2.529 174.155 176.600 0.139 0.000 0.942 219 K CA -1.901 54.457 56.287 0.117 0.000 0.816 219 K CB 1.735 34.301 32.500 0.111 0.000 1.155 219 K HN 0.182 nan 8.250 nan 0.000 0.428 220 P HA -0.038 nan 4.420 nan 0.000 0.265 220 P C 0.549 177.814 177.300 -0.058 0.000 1.193 220 P CA 0.222 63.168 63.100 -0.257 0.000 0.765 220 P CB 0.776 31.796 31.700 -1.132 0.000 0.823 221 G N 4.245 113.094 108.800 0.082 0.000 4.033 221 G HA2 -0.333 3.627 3.960 0.000 0.000 0.243 221 G HA3 -0.333 3.627 3.960 0.000 0.000 0.243 221 G C 0.810 175.708 174.900 -0.003 0.000 0.867 221 G CA 1.541 46.647 45.100 0.009 0.000 0.718 221 G HN 0.780 nan 8.290 nan 0.000 1.461 222 N N 1.243 119.947 118.700 0.008 0.000 2.291 222 N HA 0.155 4.895 4.740 0.000 0.000 0.244 222 N C -1.084 174.442 175.510 0.026 0.000 1.216 222 N CA 0.009 53.067 53.050 0.013 0.000 0.879 222 N CB 0.642 39.137 38.487 0.015 0.000 1.167 222 N HN 0.318 nan 8.380 nan 0.000 0.515 223 P HA -0.098 nan 4.420 nan 0.000 0.216 223 P C -0.541 176.790 177.300 0.052 0.000 1.157 223 P CA 1.483 64.626 63.100 0.073 0.000 0.880 223 P CB 0.165 31.904 31.700 0.064 0.000 0.791 224 D N -1.059 119.355 120.400 0.023 0.000 2.420 224 D HA 0.127 4.767 4.640 0.000 0.000 0.255 224 D C 0.629 176.935 176.300 0.010 0.000 1.185 224 D CA -0.206 53.806 54.000 0.018 0.000 0.904 224 D CB 1.169 41.978 40.800 0.016 0.000 1.102 224 D HN -0.106 nan 8.370 nan 0.000 0.534 225 T N 1.254 115.815 114.554 0.012 0.000 2.869 225 T HA -0.202 4.148 4.350 0.000 0.000 0.270 225 T C 1.811 176.517 174.700 0.009 0.000 1.082 225 T CA 1.249 63.355 62.100 0.010 0.000 1.123 225 T CB 0.219 69.093 68.868 0.010 0.000 0.856 225 T HN 0.367 nan 8.240 nan 0.000 0.499 226 K N 0.493 120.898 120.400 0.008 0.000 2.032 226 K HA -0.091 4.229 4.320 0.000 0.000 0.218 226 K C 0.542 177.145 176.600 0.005 0.000 1.054 226 K CA 1.102 57.393 56.287 0.007 0.000 0.941 226 K CB -0.158 32.345 32.500 0.006 0.000 0.720 226 K HN 0.306 nan 8.250 nan 0.000 0.449 227 L N 0.522 121.747 121.223 0.003 0.000 2.490 227 L HA 0.224 4.564 4.340 0.000 0.000 0.256 227 L C -2.107 174.759 176.870 -0.006 0.000 1.089 227 L CA -1.189 53.651 54.840 -0.001 0.000 0.916 227 L CB 1.955 44.012 42.059 -0.004 0.000 1.188 227 L HN 0.044 nan 8.230 nan 0.000 0.476 228 P HA 0.063 nan 4.420 nan 0.000 0.228 228 P C -0.211 177.085 177.300 -0.006 0.000 1.166 228 P CA 0.500 63.591 63.100 -0.015 0.000 0.812 228 P CB 0.757 32.459 31.700 0.004 0.000 0.857 229 D N 0.307 120.714 120.400 0.011 0.000 2.181 229 D HA 0.528 5.168 4.640 0.000 0.000 0.248 229 D C -0.266 176.035 176.300 0.003 0.000 1.020 229 D CA -0.174 53.843 54.000 0.028 0.000 0.891 229 D CB 2.499 43.319 40.800 0.034 0.000 1.187 229 D HN 0.025 nan 8.370 nan 0.000 0.443 230 A N 0.976 123.799 122.820 0.005 0.000 2.594 230 A HA 0.324 4.644 4.320 0.000 0.000 0.291 230 A C 0.071 177.568 177.584 -0.145 0.000 1.105 230 A CA -0.464 51.515 52.037 -0.097 0.000 0.694 230 A CB 2.184 21.064 19.000 -0.201 0.000 1.291 230 A HN 0.349 nan 8.150 nan 0.000 0.410 231 Q N -0.390 119.286 119.800 -0.206 0.000 2.396 231 Q HA 0.266 4.606 4.340 0.000 0.000 0.220 231 Q C 0.655 176.469 176.000 -0.310 0.000 0.900 231 Q CA 1.011 56.720 55.803 -0.157 0.000 0.925 231 Q CB 0.723 29.433 28.738 -0.046 0.000 1.065 231 Q HN 0.862 nan 8.270 nan 0.000 0.535 232 A N 1.516 124.088 122.820 -0.415 0.000 2.276 232 A HA 0.488 4.808 4.320 0.000 0.000 0.300 232 A C -0.365 176.858 177.584 -0.602 0.000 1.235 232 A CA -0.356 51.455 52.037 -0.377 0.000 0.867 232 A CB 0.282 19.169 19.000 -0.188 0.000 1.137 232 A HN 0.158 nan 8.150 nan 0.000 0.527 233 H N 1.712 120.768 119.070 -0.024 0.000 3.878 233 H HA 0.478 5.034 4.556 0.000 0.000 0.332 233 H C -1.955 173.353 175.328 -0.034 0.000 1.613 233 H CA -1.295 54.742 56.048 -0.018 0.000 1.413 233 H CB -0.421 29.327 29.762 -0.023 0.000 1.066 233 H HN 0.428 nan 8.280 nan 0.000 0.797 234 P HA 0.052 nan 4.420 nan 0.000 0.342 234 P C 1.118 178.417 177.300 -0.002 0.000 1.384 234 P CA -0.434 62.661 63.100 -0.008 0.000 0.837 234 P CB 0.642 32.307 31.700 -0.058 0.000 2.025 235 L N -0.244 120.966 121.223 -0.022 0.000 2.027 235 L HA 0.018 4.358 4.340 0.000 0.000 0.206 235 L C 2.160 179.037 176.870 0.012 0.000 1.074 235 L CA 2.453 57.292 54.840 -0.001 0.000 0.745 235 L CB -1.774 40.292 42.059 0.012 0.000 0.898 235 L HN 0.474 nan 8.230 nan 0.000 0.433 236 G N -0.593 108.208 108.800 0.002 0.000 3.376 236 G HA2 -0.534 3.426 3.960 0.000 0.000 0.310 236 G HA3 -0.534 3.426 3.960 0.000 0.000 0.310 236 G C 1.225 176.132 174.900 0.012 0.000 1.137 236 G CA 1.569 46.669 45.100 -0.000 0.000 1.061 236 G HN 0.481 nan 8.290 nan 0.000 1.152 237 E N -0.697 119.507 120.200 0.007 0.000 2.689 237 E HA -0.345 4.005 4.350 0.000 0.000 0.247 237 E C 2.303 178.886 176.600 -0.027 0.000 1.031 237 E CA 2.353 58.751 56.400 -0.002 0.000 1.400 237 E CB -1.247 28.462 29.700 0.015 0.000 1.296 237 E HN 0.510 nan 8.360 nan 0.000 0.475 238 V N 0.441 120.343 119.914 -0.020 0.000 2.215 238 V HA -0.367 3.753 4.120 0.000 0.000 0.249 238 V C 2.118 178.229 176.094 0.028 0.000 1.054 238 V CA 3.055 65.334 62.300 -0.036 0.000 1.012 238 V CB -0.903 30.939 31.823 0.032 0.000 0.639 238 V HN 0.506 nan 8.190 nan 0.000 0.448 239 A N -0.432 122.471 122.820 0.137 0.000 2.032 239 A HA -0.119 4.201 4.320 0.000 0.000 0.221 239 A C 2.296 179.990 177.584 0.182 0.000 1.165 239 A CA 2.186 54.357 52.037 0.223 0.000 0.645 239 A CB -1.391 17.695 19.000 0.144 0.000 0.807 239 A HN 0.822 nan 8.150 nan 0.000 0.453 240 G N -0.731 108.114 108.800 0.075 0.000 2.402 240 G HA2 0.062 4.022 3.960 0.000 0.000 0.216 240 G HA3 0.062 4.022 3.960 0.000 0.000 0.216 240 G C 1.735 176.649 174.900 0.023 0.000 1.162 240 G CA 1.181 46.307 45.100 0.043 0.000 0.777 240 G HN 0.812 nan 8.290 nan 0.000 0.539 241 A N 0.600 123.382 122.820 -0.063 0.000 1.948 241 A HA 0.018 4.338 4.320 0.000 0.000 0.220 241 A C 2.093 179.640 177.584 -0.062 0.000 1.177 241 A CA 1.513 53.463 52.037 -0.145 0.000 0.636 241 A CB -0.573 18.236 19.000 -0.317 0.000 0.815 241 A HN 0.313 nan 8.150 nan 0.000 0.449 242 F N 0.558 120.510 119.950 0.002 0.000 2.325 242 F HA -0.069 4.458 4.527 0.000 0.000 0.299 242 F C 2.109 177.911 175.800 0.003 0.000 1.090 242 F CA 1.060 59.061 58.000 0.003 0.000 1.392 242 F CB -0.398 38.604 39.000 0.004 0.000 1.053 242 F HN 0.283 nan 8.300 nan 0.000 0.521 243 N N 0.261 119.077 118.700 0.194 0.000 2.463 243 N HA 0.099 4.839 4.740 0.000 0.000 0.181 243 N C 0.610 176.159 175.510 0.065 0.000 1.078 243 N CA 0.442 53.554 53.050 0.103 0.000 0.902 243 N CB 0.087 38.621 38.487 0.079 0.000 0.970 243 N HN 0.097 nan 8.380 nan 0.000 0.451 244 A N 1.162 124.015 122.820 0.056 0.000 2.320 244 A HA 0.573 4.893 4.320 0.000 0.000 0.287 244 A C 0.368 177.969 177.584 0.027 0.000 1.181 244 A CA -0.545 51.508 52.037 0.026 0.000 0.831 244 A CB 0.342 19.343 19.000 0.002 0.000 1.102 244 A HN 0.215 nan 8.150 nan 0.000 0.513 245 A N 3.222 126.053 122.820 0.019 0.000 2.567 245 A HA 0.467 4.787 4.320 0.000 0.000 0.240 245 A C 1.016 178.608 177.584 0.013 0.000 1.053 245 A CA 0.848 52.896 52.037 0.017 0.000 0.755 245 A CB -0.540 18.467 19.000 0.011 0.000 0.978 245 A HN 1.540 nan 8.150 nan 0.000 0.507 246 T N -0.482 114.082 114.554 0.017 0.000 2.948 246 T HA 0.473 4.823 4.350 0.000 0.000 0.285 246 T C 1.375 176.081 174.700 0.011 0.000 1.019 246 T CA -0.002 62.107 62.100 0.014 0.000 1.013 246 T CB 1.001 69.882 68.868 0.021 0.000 1.117 246 T HN 1.131 nan 8.240 nan 0.000 0.533 247 S N 0.583 116.288 115.700 0.008 0.000 2.413 247 S HA -0.226 4.245 4.470 0.000 0.000 0.237 247 S C 1.173 175.777 174.600 0.007 0.000 1.044 247 S CA 1.745 59.949 58.200 0.006 0.000 1.024 247 S CB -0.674 62.528 63.200 0.004 0.000 0.829 247 S HN 0.869 nan 8.310 nan 0.000 0.475 248 E N -0.611 119.595 120.200 0.010 0.000 2.441 248 E HA 0.451 4.801 4.350 0.000 0.000 0.212 248 E C -0.206 176.402 176.600 0.013 0.000 0.840 248 E CA -0.072 56.335 56.400 0.011 0.000 1.143 248 E CB 0.739 30.444 29.700 0.010 0.000 1.153 248 E HN 0.271 nan 8.360 nan 0.000 0.539 249 V N 0.660 120.584 119.914 0.017 0.000 2.628 249 V HA 0.544 4.664 4.120 0.000 0.000 0.306 249 V C 1.085 177.192 176.094 0.020 0.000 1.045 249 V CA -0.225 62.087 62.300 0.020 0.000 0.905 249 V CB 1.616 33.453 31.823 0.024 0.000 0.997 249 V HN 0.298 nan 8.190 nan 0.000 0.436 250 G N 3.466 112.277 108.800 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 0.610 175.526 174.900 0.027 0.000 1.467 250 G CA 1.022 46.133 45.100 0.019 0.000 0.818 250 G HN 0.924 nan 8.290 nan 0.000 0.641 251 S N -0.823 114.893 115.700 0.027 0.000 2.456 251 S HA 0.439 4.909 4.470 0.000 0.000 0.316 251 S C 1.244 175.865 174.600 0.035 0.000 1.089 251 S CA -0.777 57.445 58.200 0.037 0.000 1.101 251 S CB 1.345 64.564 63.200 0.031 0.000 0.995 251 S HN 0.227 nan 8.310 nan 0.000 0.468 252 L N 5.762 127.016 121.223 0.053 0.000 1.989 252 L HA -0.119 4.221 4.340 0.000 0.000 0.211 252 L C 2.858 179.726 176.870 -0.003 0.000 1.071 252 L CA 2.261 57.126 54.840 0.041 0.000 0.749 252 L CB -1.138 40.980 42.059 0.097 0.000 0.890 252 L HN 0.811 nan 8.230 nan 0.000 0.431 253 V N -2.121 117.785 119.914 -0.013 0.000 2.324 253 V HA -0.184 3.936 4.120 0.000 0.000 0.250 253 V C 2.346 178.427 176.094 -0.021 0.000 1.060 253 V CA 1.904 64.179 62.300 -0.041 0.000 1.042 253 V CB -1.922 29.874 31.823 -0.045 0.000 0.650 253 V HN 0.398 nan 8.190 nan 0.000 0.450 254 G N 1.283 110.082 108.800 -0.002 0.000 2.679 254 G HA2 -0.368 3.592 3.960 0.000 0.000 0.217 254 G HA3 -0.368 3.592 3.960 0.000 0.000 0.217 254 G C 1.887 176.787 174.900 0.000 0.000 1.267 254 G CA 2.600 47.702 45.100 0.002 0.000 0.799 254 G HN 0.944 nan 8.290 nan 0.000 0.606 255 S N 0.075 115.777 115.700 0.004 0.000 2.387 255 S HA -0.183 4.287 4.470 0.000 0.000 0.230 255 S C 2.416 177.015 174.600 -0.001 0.000 1.035 255 S CA 2.028 60.231 58.200 0.005 0.000 1.014 255 S CB -0.666 62.539 63.200 0.009 0.000 0.836 255 S HN 0.414 nan 8.310 nan 0.000 0.466 256 S N 1.516 117.211 115.700 -0.010 0.000 2.348 256 S HA -0.111 4.359 4.470 0.000 0.000 0.221 256 S C 2.129 176.718 174.600 -0.018 0.000 1.033 256 S CA 1.611 59.800 58.200 -0.019 0.000 1.010 256 S CB -0.983 62.194 63.200 -0.038 0.000 0.891 256 S HN 0.636 nan 8.310 nan 0.000 0.442 257 S N 0.936 116.625 115.700 -0.019 0.000 2.359 257 S HA -0.132 4.338 4.470 0.000 0.000 0.223 257 S C 2.038 176.634 174.600 -0.006 0.000 1.039 257 S CA 1.967 60.158 58.200 -0.014 0.000 1.042 257 S CB -1.200 61.991 63.200 -0.015 0.000 0.915 257 S HN 0.745 nan 8.310 nan 0.000 0.439 258 T N 3.278 117.831 114.554 -0.002 0.000 2.580 258 T HA -0.125 4.225 4.350 0.000 0.000 0.265 258 T C 1.838 176.541 174.700 0.005 0.000 1.063 258 T CA 1.631 63.733 62.100 0.003 0.000 1.170 258 T CB -0.820 68.052 68.868 0.006 0.000 0.863 258 T HN 0.238 nan 8.240 nan 0.000 0.418 259 L N 0.865 122.090 121.223 0.005 0.000 2.043 259 L HA -0.150 4.190 4.340 0.000 0.000 0.212 259 L C 2.937 179.809 176.870 0.004 0.000 1.075 259 L CA 1.230 56.075 54.840 0.007 0.000 0.752 259 L CB -0.738 41.325 42.059 0.006 0.000 0.891 259 L HN 0.222 nan 8.230 nan 0.000 0.432 260 S N -0.806 114.894 115.700 -0.001 0.000 2.368 260 S HA -0.224 4.246 4.470 0.000 0.000 0.225 260 S C 1.958 176.557 174.600 -0.001 0.000 1.030 260 S CA 1.204 59.402 58.200 -0.003 0.000 0.999 260 S CB -0.237 62.957 63.200 -0.010 0.000 0.844 260 S HN 0.463 nan 8.310 nan 0.000 0.459 261 Q N 0.800 120.601 119.800 0.001 0.000 2.112 261 Q HA -0.148 4.192 4.340 0.000 0.000 0.206 261 Q C 2.505 178.510 176.000 0.008 0.000 0.987 261 Q CA 1.485 57.290 55.803 0.003 0.000 0.858 261 Q CB -0.416 28.325 28.738 0.005 0.000 0.905 261 Q HN 0.611 nan 8.270 nan 0.000 0.420 262 A N 1.177 124.003 122.820 0.011 0.000 1.858 262 A HA -0.200 4.120 4.320 0.000 0.000 0.216 262 A C 2.079 179.672 177.584 0.014 0.000 1.190 262 A CA 1.322 53.369 52.037 0.016 0.000 0.617 262 A CB -0.772 18.240 19.000 0.020 0.000 0.827 262 A HN 0.296 nan 8.150 nan 0.000 0.443 263 I N 0.782 121.358 120.570 0.010 0.000 2.074 263 I HA -0.369 3.801 4.170 0.000 0.000 0.238 263 I C 2.953 179.071 176.117 0.003 0.000 1.037 263 I CA 2.177 63.481 61.300 0.007 0.000 1.301 263 I CB -0.476 37.526 38.000 0.003 0.000 1.016 263 I HN 0.532 nan 8.210 nan 0.000 0.400 264 S N 0.086 115.786 115.700 0.001 0.000 2.419 264 S HA -0.196 4.274 4.470 0.000 0.000 0.233 264 S C 2.037 176.635 174.600 -0.003 0.000 1.016 264 S CA 1.571 59.770 58.200 -0.003 0.000 0.974 264 S CB -1.257 61.941 63.200 -0.004 0.000 0.786 264 S HN 0.639 nan 8.310 nan 0.000 0.492 265 T N -0.446 114.110 114.554 0.003 0.000 2.821 265 T HA -0.008 4.342 4.350 0.000 0.000 0.267 265 T C 1.722 176.425 174.700 0.004 0.000 1.046 265 T CA 1.321 63.424 62.100 0.006 0.000 1.139 265 T CB -0.565 68.313 68.868 0.017 0.000 0.871 265 T HN 0.244 nan 8.240 nan 0.000 0.454 266 M N 2.143 121.747 119.600 0.007 0.000 2.108 266 M HA 0.181 4.661 4.480 0.000 0.000 0.261 266 M C 2.660 178.953 176.300 -0.012 0.000 1.066 266 M CA 1.292 56.594 55.300 0.003 0.000 1.107 266 M CB -1.163 31.442 32.600 0.009 0.000 1.356 266 M HN 0.447 nan 8.290 nan 0.000 0.406 267 A N -0.668 122.145 122.820 -0.012 0.000 1.892 267 A HA -0.102 4.218 4.320 0.000 0.000 0.218 267 A C 2.355 179.920 177.584 -0.033 0.000 1.188 267 A CA 2.048 54.074 52.037 -0.019 0.000 0.631 267 A CB -1.670 17.321 19.000 -0.014 0.000 0.822 267 A HN 0.557 nan 8.150 nan 0.000 0.447 268 G N -1.043 107.737 108.800 -0.033 0.000 2.421 268 G HA2 -0.175 3.785 3.960 0.000 0.000 0.217 268 G HA3 -0.175 3.785 3.960 0.000 0.000 0.217 268 G C 1.581 176.432 174.900 -0.083 0.000 1.143 268 G CA 1.000 46.071 45.100 -0.048 0.000 0.784 268 G HN 0.558 nan 8.290 nan 0.000 0.541 269 K N 0.154 120.507 120.400 -0.078 0.000 2.283 269 K HA -0.091 4.229 4.320 0.000 0.000 0.202 269 K C 0.794 177.305 176.600 -0.148 0.000 1.048 269 K CA 0.724 56.932 56.287 -0.131 0.000 0.948 269 K CB -0.076 32.384 32.500 -0.067 0.000 0.742 269 K HN 0.166 nan 8.250 nan 0.000 0.458 270 D N -0.033 120.313 120.400 -0.090 0.000 2.882 270 D HA -0.221 4.419 4.640 0.000 0.000 0.229 270 D C 0.341 176.612 176.300 -0.047 0.000 1.167 270 D CA 0.776 54.737 54.000 -0.066 0.000 0.759 270 D CB -0.560 40.196 40.800 -0.074 0.000 1.088 270 D HN 0.236 nan 8.370 nan 0.000 0.425 271 L N -0.366 120.835 121.223 -0.037 0.000 3.400 271 L HA -0.441 3.899 4.340 0.000 0.000 0.158 271 L C 1.981 178.852 176.870 0.001 0.000 4.462 271 L CA 2.959 57.791 54.840 -0.013 0.000 0.423 271 L CB -1.664 40.392 42.059 -0.005 0.000 3.561 271 L HN 0.211 nan 8.230 nan 0.000 0.641 272 D N -0.735 119.664 120.400 -0.000 0.000 2.200 272 D HA -0.253 4.387 4.640 0.000 0.000 0.192 272 D C 2.067 178.395 176.300 0.048 0.000 1.008 272 D CA 2.095 56.104 54.000 0.015 0.000 0.872 272 D CB -0.160 40.643 40.800 0.005 0.000 0.923 272 D HN 0.307 nan 8.370 nan 0.000 0.447 273 L N 1.024 122.274 121.223 0.044 0.000 2.201 273 L HA -0.296 4.044 4.340 0.000 0.000 0.233 273 L C 2.342 179.381 176.870 0.282 0.000 1.115 273 L CA 1.645 56.572 54.840 0.145 0.000 0.840 273 L CB -0.659 41.393 42.059 -0.011 0.000 0.924 273 L HN 0.225 nan 8.230 nan 0.000 0.450 274 I N -1.262 119.414 120.570 0.177 0.000 2.493 274 I HA -0.155 4.015 4.170 0.000 0.000 0.254 274 I C 0.905 177.070 176.117 0.080 0.000 1.160 274 I CA 0.752 62.133 61.300 0.136 0.000 1.445 274 I CB -0.957 37.093 38.000 0.083 0.000 1.086 274 I HN 0.281 nan 8.210 nan 0.000 0.433 275 E N 1.642 121.880 120.200 0.064 0.000 2.341 275 E HA 0.425 4.775 4.350 0.000 0.000 0.279 275 E C -0.146 176.476 176.600 0.036 0.000 1.395 275 E CA -0.071 56.350 56.400 0.036 0.000 1.648 275 E CB 0.198 29.911 29.700 0.023 0.000 1.524 275 E HN 0.259 nan 8.360 nan 0.000 0.462 276 A N 1.221 124.064 122.820 0.039 0.000 2.466 276 A HA 0.378 4.698 4.320 0.000 0.000 0.291 276 A C -0.232 177.352 177.584 0.001 0.000 1.234 276 A CA -0.729 51.325 52.037 0.027 0.000 0.752 276 A CB 0.610 19.646 19.000 0.060 0.000 1.153 276 A HN 0.174 nan 8.150 nan 0.000 0.458 277 D N 0.753 121.148 120.400 -0.009 0.000 2.197 277 D HA 0.059 4.699 4.640 0.000 0.000 0.212 277 D C 1.002 177.266 176.300 -0.060 0.000 0.963 277 D CA 1.870 55.856 54.000 -0.024 0.000 0.864 277 D CB 0.205 40.997 40.800 -0.013 0.000 1.009 277 D HN 0.592 nan 8.370 nan 0.000 0.479 278 T N -0.868 113.656 114.554 -0.050 0.000 2.859 278 T HA 0.508 4.858 4.350 0.000 0.000 0.281 278 T C -2.692 171.973 174.700 -0.058 0.000 1.005 278 T CA -2.260 59.804 62.100 -0.061 0.000 1.025 278 T CB 1.454 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 0.010 nan 4.420 nan 0.000 0.241 279 P C -0.960 176.328 177.300 -0.020 0.000 1.093 279 P CA 0.116 63.179 63.100 -0.061 0.000 0.843 279 P CB -0.178 31.488 31.700 -0.058 0.000 0.760 280 L N 7.442 128.664 121.223 -0.003 0.000 2.272 280 L HA 0.494 4.834 4.340 0.000 0.000 0.289 280 L C -2.222 174.695 176.870 0.079 0.000 1.032 280 L CA -2.500 52.371 54.840 0.052 0.000 0.810 280 L CB 1.125 43.248 42.059 0.105 0.000 1.205 280 L HN 0.163 nan 8.230 nan 0.000 0.422 281 P HA -0.017 nan 4.420 nan 0.000 0.266 281 P C 1.296 178.661 177.300 0.109 0.000 1.215 281 P CA -0.051 63.090 63.100 0.068 0.000 0.763 281 P CB 0.864 32.589 31.700 0.041 0.000 0.806 282 V N 2.812 122.789 119.914 0.105 0.000 2.251 282 V HA -0.402 3.718 4.120 0.000 0.000 0.259 282 V C 2.204 178.380 176.094 0.136 0.000 1.078 282 V CA 3.028 65.409 62.300 0.135 0.000 1.072 282 V CB -2.643 29.237 31.823 0.095 0.000 0.681 282 V HN 0.619 nan 8.190 nan 0.000 0.454 283 S N 0.399 116.147 115.700 0.081 0.000 2.387 283 S HA -0.180 4.290 4.470 0.000 0.000 0.230 283 S C 1.857 176.474 174.600 0.030 0.000 1.035 283 S CA 1.876 60.107 58.200 0.051 0.000 1.014 283 S CB -1.004 62.214 63.200 0.029 0.000 0.836 283 S HN 0.605 nan 8.310 nan 0.000 0.466 284 V N 0.593 120.526 119.914 0.031 0.000 2.270 284 V HA -0.036 4.084 4.120 0.000 0.000 0.245 284 V C 2.137 178.176 176.094 -0.091 0.000 1.043 284 V CA 2.009 64.300 62.300 -0.014 0.000 1.014 284 V CB -0.886 30.942 31.823 0.009 0.000 0.645 284 V HN 0.530 nan 8.190 nan 0.000 0.447 285 F N 0.932 120.882 119.950 -0.000 0.000 2.187 285 F HA -0.006 4.521 4.527 0.000 0.000 0.295 285 F C 1.367 177.211 175.800 0.074 0.000 1.091 285 F CA 0.956 58.962 58.000 0.011 0.000 1.308 285 F CB -0.110 38.925 39.000 0.059 0.000 1.030 285 F HN 0.044 nan 8.300 nan 0.000 0.487 286 T N 3.654 118.310 114.554 0.170 0.000 2.761 286 T HA 0.216 4.566 4.350 0.000 0.000 0.296 286 T C -1.885 172.871 174.700 0.094 0.000 0.934 286 T CA -1.133 61.093 62.100 0.209 0.000 1.091 286 T CB 1.306 70.293 68.868 0.199 0.000 0.896 286 T HN 0.046 nan 8.240 nan 0.000 0.515 287 P HA 0.240 nan 4.420 nan 0.000 0.322 287 P C -0.022 177.316 177.300 0.063 0.000 1.414 287 P CA -0.508 62.635 63.100 0.072 0.000 0.876 287 P CB 0.267 32.025 31.700 0.096 0.000 2.176 288 S N -0.758 114.973 115.700 0.051 0.000 2.499 288 S HA 0.461 4.931 4.470 0.000 0.000 0.279 288 S C -0.426 174.195 174.600 0.036 0.000 1.219 288 S CA -0.527 57.695 58.200 0.037 0.000 1.062 288 S CB -1.001 62.214 63.200 0.025 0.000 0.978 288 S HN 0.111 nan 8.310 nan 0.000 0.489 289 L N 3.623 124.865 121.223 0.031 0.000 2.325 289 L HA 0.775 5.115 4.340 0.000 0.000 0.278 289 L C 0.144 177.024 176.870 0.016 0.000 1.023 289 L CA -0.599 54.257 54.840 0.027 0.000 0.811 289 L CB 1.713 43.792 42.059 0.032 0.000 1.249 289 L HN 0.747 nan 8.230 nan 0.000 0.431 290 A N 3.837 126.665 122.820 0.013 0.000 2.337 290 A HA 0.843 5.163 4.320 0.000 0.000 0.331 290 A C -2.553 175.035 177.584 0.005 0.000 1.137 290 A CA -1.674 50.367 52.037 0.006 0.000 0.807 290 A CB 0.774 19.775 19.000 0.001 0.000 1.250 290 A HN 0.427 nan 8.150 nan 0.000 0.468 291 P HA 0.207 nan 4.420 nan 0.000 0.267 291 P C -0.416 176.878 177.300 -0.011 0.000 1.201 291 P CA 0.154 63.257 63.100 0.005 0.000 0.775 291 P CB 0.370 32.074 31.700 0.007 0.000 0.854 292 R N 0.485 120.980 120.500 -0.008 0.000 2.867 292 R HA 0.604 4.944 4.340 0.000 0.000 0.268 292 R C -0.784 175.380 176.300 -0.226 0.000 1.014 292 R CA -0.734 55.276 56.100 -0.150 0.000 0.946 292 R CB 1.789 31.949 30.300 -0.234 0.000 1.208 292 R HN 0.317 nan 8.270 nan 0.000 0.477 293 S N 1.330 116.772 115.700 -0.430 0.000 2.498 293 S HA 0.614 5.084 4.470 0.000 0.000 0.317 293 S C -1.257 173.094 174.600 -0.415 0.000 1.090 293 S CA -0.512 57.533 58.200 -0.259 0.000 1.089 293 S CB 0.634 63.769 63.200 -0.109 0.000 0.997 293 S HN 0.330 nan 8.310 nan 0.000 0.470 294 Y N 1.474 121.859 120.300 0.141 0.000 2.570 294 Y HA 0.606 5.156 4.550 0.000 0.000 0.345 294 Y C 0.445 176.419 175.900 0.123 0.000 1.014 294 Y CA -1.390 56.814 58.100 0.173 0.000 1.063 294 Y CB 1.399 40.071 38.460 0.355 0.000 1.272 294 Y HN 0.542 nan 8.280 nan 0.000 0.477 295 R N 0.854 121.503 120.500 0.249 0.000 2.532 295 R HA 0.600 4.940 4.340 0.000 0.000 0.295 295 R C -2.804 173.549 176.300 0.089 0.000 0.968 295 R CA -1.726 54.462 56.100 0.147 0.000 0.916 295 R CB 1.679 32.046 30.300 0.113 0.000 1.124 295 R HN 0.269 nan 8.270 nan 0.000 0.463 296 P HA -0.179 nan 4.420 nan 0.000 0.197 296 P C 0.759 178.036 177.300 -0.039 0.000 1.076 296 P CA 2.228 65.322 63.100 -0.010 0.000 0.876 296 P CB -0.081 31.611 31.700 -0.013 0.000 0.705 297 A N -1.414 121.348 122.820 -0.097 0.000 5.138 297 A HA -0.300 4.020 4.320 0.000 0.000 0.356 297 A C 1.125 178.524 177.584 -0.308 0.000 1.635 297 A CA 2.649 54.554 52.037 -0.220 0.000 0.691 297 A CB -2.289 16.677 19.000 -0.057 0.000 1.508 297 A HN 0.302 nan 8.150 nan 0.000 0.410 298 F N -1.275 118.672 119.950 -0.005 0.000 2.850 298 F HA 0.477 5.004 4.527 0.000 0.000 0.329 298 F C 0.517 176.305 175.800 -0.020 0.000 1.182 298 F CA -0.446 57.547 58.000 -0.013 0.000 1.270 298 F CB 0.580 39.577 39.000 -0.005 0.000 0.979 298 F HN 0.412 nan 8.300 nan 0.000 0.506 299 I N 1.259 121.897 120.570 0.113 0.000 3.194 299 I HA 0.095 4.265 4.170 0.000 0.000 0.283 299 I C 0.108 176.228 176.117 0.004 0.000 1.199 299 I CA -0.067 61.255 61.300 0.037 0.000 1.328 299 I CB 0.429 38.420 38.000 -0.015 0.000 1.404 299 I HN -0.115 nan 8.210 nan 0.000 0.618 300 K N 6.769 127.151 120.400 -0.031 0.000 2.389 300 K HA 0.322 4.642 4.320 0.000 0.000 0.261 300 K C -2.014 174.540 176.600 -0.077 0.000 1.014 300 K CA -1.781 54.483 56.287 -0.037 0.000 0.920 300 K CB 1.111 33.597 32.500 -0.024 0.000 1.149 300 K HN 0.262 nan 8.250 nan 0.000 0.444 301 P HA -0.239 nan 4.420 nan 0.000 0.218 301 P C 0.576 177.822 177.300 -0.090 0.000 1.152 301 P CA 1.502 64.542 63.100 -0.101 0.000 0.857 301 P CB 0.468 32.114 31.700 -0.090 0.000 0.787 302 E N -0.743 119.416 120.200 -0.068 0.000 2.085 302 E HA -0.170 4.180 4.350 0.000 0.000 0.194 302 E C 1.757 178.323 176.600 -0.055 0.000 0.994 302 E CA 1.323 57.690 56.400 -0.056 0.000 0.801 302 E CB -0.582 29.092 29.700 -0.044 0.000 0.743 302 E HN 0.398 nan 8.360 nan 0.000 0.453 303 D N -0.376 119.988 120.400 -0.060 0.000 2.301 303 D HA 0.072 4.712 4.640 0.000 0.000 0.206 303 D C 0.170 176.426 176.300 -0.073 0.000 0.979 303 D CA 0.445 54.413 54.000 -0.053 0.000 0.874 303 D CB 0.322 41.101 40.800 -0.035 0.000 0.968 303 D HN 0.072 nan 8.370 nan 0.000 0.510 304 A N 1.834 124.576 122.820 -0.131 0.000 2.798 304 A HA 0.129 4.449 4.320 0.000 0.000 0.316 304 A C 1.268 178.690 177.584 -0.270 0.000 1.506 304 A CA -0.422 51.469 52.037 -0.244 0.000 1.162 304 A CB 0.183 18.969 19.000 -0.357 0.000 1.138 304 A HN -0.056 nan 8.150 nan 0.000 0.532 305 K N 1.785 122.106 120.400 -0.131 0.000 2.044 305 K HA -0.218 4.102 4.320 0.000 0.000 0.224 305 K C 1.546 178.129 176.600 -0.030 0.000 1.056 305 K CA 2.427 58.692 56.287 -0.036 0.000 0.962 305 K CB -0.264 32.283 32.500 0.078 0.000 0.730 305 K HN 1.041 nan 8.250 nan 0.000 0.453 306 W N 0.704 121.961 121.300 -0.071 0.000 3.077 306 W HA 0.283 4.943 4.660 0.000 0.000 0.245 306 W C 0.263 176.732 176.519 -0.083 0.000 1.316 306 W CA -0.088 57.202 57.345 -0.091 0.000 1.537 306 W CB -0.459 28.920 29.460 -0.136 0.000 1.131 306 W HN -0.024 nan 8.180 nan 0.000 0.695 307 I N 1.101 121.270 120.570 -0.668 0.000 2.586 307 I HA 0.528 4.698 4.170 0.000 0.000 0.281 307 I C -0.482 175.412 176.117 -0.371 0.000 1.145 307 I CA -0.201 60.745 61.300 -0.591 0.000 1.073 307 I CB 0.883 38.244 38.000 -1.065 0.000 1.238 307 I HN -0.096 nan 8.210 nan 0.000 0.461 308 A N 5.796 128.500 122.820 -0.193 0.000 2.616 308 A HA 0.913 5.233 4.320 0.000 0.000 0.253 308 A C -0.994 176.536 177.584 -0.090 0.000 1.239 308 A CA -0.417 51.544 52.037 -0.127 0.000 0.914 308 A CB 1.540 20.489 19.000 -0.085 0.000 1.454 308 A HN 0.544 nan 8.150 nan 0.000 0.460 309 E N -0.702 119.450 120.200 -0.080 0.000 2.317 309 E HA 0.458 4.808 4.350 0.000 0.000 0.270 309 E C -1.678 174.871 176.600 -0.085 0.000 0.885 309 E CA -0.595 55.768 56.400 -0.062 0.000 0.760 309 E CB 1.787 31.441 29.700 -0.077 0.000 1.227 309 E HN 0.430 nan 8.360 nan 0.000 0.434 310 F N 3.553 123.449 119.950 -0.090 0.000 2.553 310 F HA 0.064 4.591 4.527 0.000 0.000 0.356 310 F C 0.804 176.561 175.800 -0.071 0.000 1.142 310 F CA -0.114 57.832 58.000 -0.089 0.000 1.322 310 F CB 0.490 39.432 39.000 -0.096 0.000 1.126 310 F HN 0.300 nan 8.300 nan 0.000 0.599 311 N N 3.804 121.596 118.700 -1.513 0.000 2.443 311 N HA 0.148 4.888 4.740 0.000 0.000 0.295 311 N C -0.979 174.142 175.510 -0.649 0.000 1.076 311 N CA -0.867 51.681 53.050 -0.838 0.000 0.919 311 N CB 0.950 39.072 38.487 -0.608 0.000 1.176 311 N HN 0.604 nan 8.380 nan 0.000 0.487 312 N N 0.820 119.367 118.700 -0.254 0.000 2.395 312 N HA -0.053 4.687 4.740 0.000 0.000 0.246 312 N C -1.007 174.472 175.510 -0.051 0.000 1.246 312 N CA 0.709 53.711 53.050 -0.080 0.000 0.879 312 N CB 0.091 38.549 38.487 -0.048 0.000 1.098 312 N HN 0.695 nan 8.380 nan 0.000 0.444 313 S N 0.121 115.848 115.700 0.045 0.000 3.027 313 S HA -0.026 4.444 4.470 0.000 0.000 0.809 313 S C 0.183 174.885 174.600 0.169 0.000 0.729 313 S CA 0.145 58.387 58.200 0.069 0.000 1.515 313 S CB -2.019 61.190 63.200 0.016 0.000 1.062 313 S HN 1.096 nan 8.310 nan 0.000 0.682 314 S N 1.476 117.266 115.700 0.151 0.000 6.084 314 S HA 0.492 4.962 4.470 0.000 0.000 0.113 314 S C -0.289 174.318 174.600 0.012 0.000 1.162 314 S CA -0.077 58.186 58.200 0.105 0.000 1.406 314 S CB -0.141 63.166 63.200 0.178 0.000 1.969 314 S HN 1.764 nan 8.310 nan 0.000 0.555 315 L N 2.132 123.342 121.223 -0.022 0.000 2.108 315 L HA -0.009 4.331 4.340 0.000 0.000 0.685 315 L C -1.541 175.268 176.870 -0.101 0.000 1.058 315 L CA -0.050 54.754 54.840 -0.061 0.000 1.399 315 L CB -1.114 40.919 42.059 -0.043 0.000 2.171 315 L HN 0.591 nan 8.230 nan 0.000 0.994 316 I N 2.354 122.831 120.570 -0.154 0.000 2.347 316 I HA 0.267 4.437 4.170 0.000 0.000 0.283 316 I C 1.166 177.192 176.117 -0.151 0.000 1.058 316 I CA -0.533 60.674 61.300 -0.155 0.000 1.202 316 I CB 1.027 38.913 38.000 -0.191 0.000 1.386 316 I HN 0.482 nan 8.210 nan 0.000 0.475 317 R N 3.156 123.579 120.500 -0.129 0.000 1.991 317 R HA 0.155 4.495 4.340 0.000 0.000 0.205 317 R C 0.510 176.712 176.300 -0.163 0.000 1.356 317 R CA 0.101 56.117 56.100 -0.140 0.000 1.066 317 R CB -0.299 29.936 30.300 -0.108 0.000 0.854 317 R HN 0.132 nan 8.270 nan 0.000 0.487 318 K N 2.424 122.749 120.400 -0.125 0.000 2.310 318 K HA 0.121 4.441 4.320 0.000 0.000 0.290 318 K C -1.192 175.350 176.600 -0.097 0.000 1.077 318 K CA 0.025 56.240 56.287 -0.120 0.000 0.922 318 K CB 0.602 33.048 32.500 -0.090 0.000 1.057 318 K HN 0.477 nan 8.250 nan 0.000 0.479 319 T N 2.432 116.925 114.554 -0.102 0.000 2.812 319 T HA 0.356 4.706 4.350 0.000 0.000 0.282 319 T C -0.383 174.307 174.700 -0.016 0.000 0.990 319 T CA -1.054 61.013 62.100 -0.056 0.000 0.960 319 T CB 0.836 69.677 68.868 -0.046 0.000 0.948 319 T HN 0.407 nan 8.240 nan 0.000 0.438 320 L N 4.647 125.862 121.223 -0.013 0.000 2.559 320 L HA 0.241 4.581 4.340 0.000 0.000 0.274 320 L C 1.572 178.461 176.870 0.032 0.000 1.205 320 L CA 1.223 56.063 54.840 -0.000 0.000 0.907 320 L CB 0.576 42.619 42.059 -0.027 0.000 1.153 320 L HN 1.073 nan 8.230 nan 0.000 0.490 321 T N 1.973 116.571 114.554 0.073 0.000 3.000 321 T HA 0.171 4.521 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 0.068 62.246 62.100 0.129 0.000 1.060 321 T CB -0.016 68.972 68.868 0.201 0.000 0.983 321 T HN 0.444 nan 8.240 nan 0.000 0.482 322 Y N 1.009 121.331 120.300 0.037 0.000 2.829 322 Y HA 0.575 5.125 4.550 0.000 0.000 0.322 322 Y C -1.135 174.777 175.900 0.020 0.000 1.357 322 Y CA -2.111 56.005 58.100 0.027 0.000 1.081 322 Y CB 1.452 39.928 38.460 0.028 0.000 1.339 322 Y HN -0.014 nan 8.280 nan 0.000 0.469 323 S N 1.842 116.459 115.700 -1.806 0.000 2.519 323 S HA 0.344 4.814 4.470 0.000 0.000 0.310 323 S C 0.740 175.064 174.600 -0.460 0.000 1.201 323 S CA 0.739 58.396 58.200 -0.906 0.000 1.179 323 S CB -0.659 62.116 63.200 -0.709 0.000 1.104 323 S HN 1.387 nan 8.310 nan 0.000 0.527 324 G N 2.439 111.085 108.800 -0.257 0.000 2.341 324 G HA2 -0.072 3.888 3.960 0.000 0.000 0.292 324 G HA3 -0.072 3.888 3.960 0.000 0.000 0.292 324 G C 0.059 174.923 174.900 -0.061 0.000 1.021 324 G CA 0.180 45.208 45.100 -0.120 0.000 0.905 324 G HN 1.191 nan 8.290 nan 0.000 0.508 325 A N -0.647 122.138 122.820 -0.059 0.000 2.414 325 A HA 1.006 5.326 4.320 0.000 0.000 0.306 325 A C 0.029 177.643 177.584 0.050 0.000 1.054 325 A CA 0.350 52.409 52.037 0.036 0.000 0.724 325 A CB 1.780 20.868 19.000 0.147 0.000 1.267 325 A HN 1.638 nan 8.150 nan 0.000 0.418 326 T N -0.905 113.689 114.554 0.067 0.000 2.912 326 T HA 0.642 4.992 4.350 0.000 0.000 0.299 326 T C -1.158 173.605 174.700 0.105 0.000 1.052 326 T CA -0.491 61.645 62.100 0.060 0.000 0.996 326 T CB 1.344 70.215 68.868 0.005 0.000 1.070 326 T HN 1.131 nan 8.240 nan 0.000 0.465 327 Y N 1.818 122.113 120.300 -0.007 0.000 2.442 327 Y HA 0.553 5.103 4.550 0.000 0.000 0.344 327 Y C -0.189 175.702 175.900 -0.014 0.000 0.976 327 Y CA -0.975 57.113 58.100 -0.020 0.000 1.040 327 Y CB 2.014 40.490 38.460 0.027 0.000 1.228 327 Y HN 0.952 nan 8.280 nan 0.000 0.451 328 T N 3.199 117.276 114.554 -0.794 0.000 2.782 328 T HA 0.160 4.510 4.350 0.000 0.000 0.298 328 T C 0.892 174.948 174.700 -1.073 0.000 0.944 328 T CA -0.323 61.358 62.100 -0.697 0.000 1.001 328 T CB 0.645 69.345 68.868 -0.279 0.000 0.932 328 T HN 0.670 nan 8.240 nan 0.000 0.524 329 V N 2.765 122.194 119.914 -0.809 0.000 2.759 329 V HA -0.083 4.037 4.120 0.000 0.000 0.256 329 V C 1.656 177.675 176.094 -0.126 0.000 1.080 329 V CA 1.801 63.880 62.300 -0.368 0.000 1.101 329 V CB -1.084 30.676 31.823 -0.106 0.000 0.698 329 V HN 1.145 nan 8.190 nan 0.000 0.477 330 Q N -1.077 118.616 119.800 -0.178 0.000 2.480 330 Q HA -0.240 4.100 4.340 0.000 0.000 0.265 330 Q C -0.133 175.799 176.000 -0.112 0.000 1.072 330 Q CA 0.884 56.606 55.803 -0.136 0.000 1.018 330 Q CB -2.347 26.314 28.738 -0.129 0.000 1.433 330 Q HN 0.591 nan 8.270 nan 0.000 0.513 331 L N -0.358 120.786 121.223 -0.131 0.000 2.825 331 L HA 0.285 4.625 4.340 0.000 0.000 0.278 331 L C 1.085 177.924 176.870 -0.051 0.000 1.125 331 L CA 2.128 56.875 54.840 -0.155 0.000 1.023 331 L CB -0.278 41.557 42.059 -0.374 0.000 1.377 331 L HN 0.411 nan 8.230 nan 0.000 0.471 332 G N 4.190 113.040 108.800 0.085 0.000 3.507 332 G HA2 0.228 4.188 3.960 0.000 0.000 0.162 332 G HA3 0.228 4.188 3.960 0.000 0.000 0.162 332 G C -2.816 172.168 174.900 0.140 0.000 1.230 332 G CA -0.125 45.076 45.100 0.169 0.000 1.412 332 G HN 0.378 nan 8.290 nan 0.000 0.723 333 P HA 0.240 nan 4.420 nan 0.000 0.263 333 P C 0.687 177.987 177.300 -0.000 0.000 1.345 333 P CA 1.481 64.583 63.100 0.004 0.000 1.119 333 P CB 0.008 31.698 31.700 -0.018 0.000 1.363 334 G N 4.497 113.296 108.800 -0.001 0.000 2.295 334 G HA2 -0.195 3.765 3.960 0.000 0.000 0.287 334 G HA3 -0.195 3.765 3.960 0.000 0.000 0.287 334 G C -2.202 172.695 174.900 -0.006 0.000 1.055 334 G CA -0.783 44.305 45.100 -0.019 0.000 0.922 334 G HN 0.349 nan 8.290 nan 0.000 0.503 335 P HA 0.291 nan 4.420 nan 0.000 0.263 335 P C 1.356 178.664 177.300 0.013 0.000 1.345 335 P CA 0.894 64.018 63.100 0.039 0.000 1.119 335 P CB -0.044 31.703 31.700 0.077 0.000 1.363 336 T N 1.419 115.953 114.554 -0.033 0.000 13.732 336 T HA -0.269 4.081 4.350 0.000 0.000 0.419 336 T C 0.593 175.269 174.700 -0.039 0.000 1.441 336 T CA 0.829 62.896 62.100 -0.055 0.000 2.344 336 T CB -0.872 67.961 68.868 -0.057 0.000 2.781 336 T HN 0.434 nan 8.240 nan 0.000 0.464 337 R N 0.422 120.915 120.500 -0.013 0.000 2.692 337 R HA 0.570 4.910 4.340 0.000 0.000 0.269 337 R C -1.222 175.090 176.300 0.020 0.000 1.030 337 R CA -0.455 55.636 56.100 -0.015 0.000 0.882 337 R CB 1.706 31.979 30.300 -0.045 0.000 1.250 337 R HN 0.740 nan 8.270 nan 0.000 0.465 338 V N 0.235 120.157 119.914 0.012 0.000 2.311 338 V HA 0.536 4.656 4.120 0.000 0.000 0.275 338 V C 0.028 176.162 176.094 0.065 0.000 1.022 338 V CA -0.817 61.513 62.300 0.051 0.000 0.830 338 V CB 0.748 32.588 31.823 0.029 0.000 1.012 338 V HN 0.500 nan 8.190 nan 0.000 0.452 339 I N 5.388 126.040 120.570 0.137 0.000 2.363 339 I HA 0.270 4.440 4.170 0.000 0.000 0.292 339 I C 0.490 176.709 176.117 0.169 0.000 1.075 339 I CA 0.389 61.780 61.300 0.152 0.000 1.333 339 I CB 0.399 38.554 38.000 0.259 0.000 1.415 339 I HN 0.588 nan 8.210 nan 0.000 0.502 340 D N 8.375 128.854 120.400 0.131 0.000 2.558 340 D HA 0.107 4.747 4.640 0.000 0.000 0.221 340 D C 0.486 176.795 176.300 0.016 0.000 1.143 340 D CA -0.003 54.067 54.000 0.117 0.000 1.010 340 D CB 0.742 41.607 40.800 0.109 0.000 1.068 340 D HN 0.404 nan 8.370 nan 0.000 0.511 341 M N 0.988 120.491 119.600 -0.162 0.000 2.723 341 M HA 0.031 4.511 4.480 0.000 0.000 0.270 341 M C 0.338 176.410 176.300 -0.380 0.000 1.282 341 M CA -0.332 54.613 55.300 -0.591 0.000 0.995 341 M CB -1.327 30.448 32.600 -1.375 0.000 1.430 341 M HN -0.015 nan 8.290 nan 0.000 0.477 342 N N 1.615 120.234 118.700 -0.134 0.000 2.508 342 N HA 0.345 5.085 4.740 0.000 0.000 0.253 342 N C 0.209 175.756 175.510 0.061 0.000 1.145 342 N CA 0.329 53.366 53.050 -0.023 0.000 0.973 342 N CB 0.202 38.670 38.487 -0.031 0.000 1.305 342 N HN 0.413 nan 8.380 nan 0.000 0.506 343 A N 3.642 126.549 122.820 0.145 0.000 2.578 343 A HA -0.172 4.148 4.320 0.000 0.000 0.298 343 A C 0.065 177.757 177.584 0.180 0.000 1.472 343 A CA 0.567 52.716 52.037 0.186 0.000 0.734 343 A CB -1.472 17.601 19.000 0.120 0.000 1.091 343 A HN 0.589 nan 8.150 nan 0.000 0.426 344 M N 0.934 120.705 119.600 0.284 0.000 3.307 344 M HA 0.388 4.868 4.480 0.000 0.000 0.222 344 M C 0.757 177.239 176.300 0.303 0.000 1.243 344 M CA -0.106 55.326 55.300 0.220 0.000 1.270 344 M CB -1.602 31.053 32.600 0.093 0.000 1.187 344 M HN 1.343 nan 8.290 nan 0.000 0.598 345 I N -1.338 119.334 120.570 0.170 0.000 5.504 345 I HA -0.340 3.830 4.170 0.000 0.000 0.128 345 I C -0.642 175.424 176.117 -0.084 0.000 1.242 345 I CA 0.772 62.106 61.300 0.056 0.000 2.596 345 I CB -0.556 37.456 38.000 0.020 0.000 2.176 345 I HN 0.463 nan 8.210 nan 0.000 0.313 346 D N 1.573 121.864 120.400 -0.183 0.000 2.381 346 D HA 0.618 5.258 4.640 0.000 0.000 0.235 346 D C -0.741 175.393 176.300 -0.277 0.000 1.068 346 D CA -0.284 53.490 54.000 -0.377 0.000 0.832 346 D CB 1.570 42.190 40.800 -0.300 0.000 1.101 346 D HN 0.605 nan 8.370 nan 0.000 0.515 347 S N 0.542 116.032 115.700 -0.350 0.000 2.667 347 S HA 0.571 5.041 4.470 0.000 0.000 0.292 347 S C -0.504 174.032 174.600 -0.107 0.000 1.126 347 S CA -0.703 57.416 58.200 -0.136 0.000 0.881 347 S CB 2.328 65.562 63.200 0.057 0.000 1.132 347 S HN 0.170 nan 8.310 nan 0.000 0.492 348 V N 2.470 122.355 119.914 -0.048 0.000 2.376 348 V HA 0.348 4.468 4.120 0.000 0.000 0.287 348 V C -0.577 175.491 176.094 -0.043 0.000 1.015 348 V CA -0.492 61.787 62.300 -0.035 0.000 0.834 348 V CB 1.093 32.896 31.823 -0.033 0.000 1.001 348 V HN 0.709 nan 8.190 nan 0.000 0.428 349 L N 4.694 125.878 121.223 -0.065 0.000 2.451 349 L HA 0.153 4.493 4.340 0.000 0.000 0.272 349 L C 0.708 177.464 176.870 -0.190 0.000 1.258 349 L CA 0.152 54.899 54.840 -0.155 0.000 1.132 349 L CB -0.313 41.557 42.059 -0.315 0.000 1.361 349 L HN 0.637 nan 8.230 nan 0.000 0.438 350 T N 3.299 117.771 114.554 -0.135 0.000 3.182 350 T HA 0.159 4.509 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 -0.248 61.739 62.100 -0.188 0.000 1.082 350 T CB -0.056 68.716 68.868 -0.161 0.000 1.005 350 T HN 0.137 nan 8.240 nan 0.000 0.688 351 L N 4.301 125.420 121.223 -0.173 0.000 2.281 351 L HA 0.322 4.662 4.340 0.000 0.000 0.285 351 L C -0.445 176.382 176.870 -0.072 0.000 1.074 351 L CA -0.048 54.740 54.840 -0.087 0.000 0.817 351 L CB 0.506 42.526 42.059 -0.064 0.000 1.168 351 L HN 0.403 nan 8.230 nan 0.000 0.434 352 D N 5.862 126.251 120.400 -0.018 0.000 2.446 352 D HA 0.254 4.894 4.640 0.000 0.000 0.251 352 D C -0.802 175.535 176.300 0.061 0.000 1.137 352 D CA -0.169 53.841 54.000 0.017 0.000 0.890 352 D CB 1.628 42.437 40.800 0.014 0.000 1.071 352 D HN 0.215 nan 8.370 nan 0.000 0.528 353 V N 0.759 120.732 119.914 0.098 0.000 2.394 353 V HA 0.648 4.768 4.120 0.000 0.000 0.282 353 V C 0.398 176.610 176.094 0.197 0.000 1.031 353 V CA -0.399 61.988 62.300 0.146 0.000 0.881 353 V CB 1.449 33.376 31.823 0.173 0.000 0.982 353 V HN 0.436 nan 8.190 nan 0.000 0.451 354 S N 2.502 118.303 115.700 0.168 0.000 2.547 354 S HA 0.741 5.211 4.470 0.000 0.000 0.270 354 S C 0.511 175.198 174.600 0.145 0.000 1.150 354 S CA 0.801 59.096 58.200 0.157 0.000 0.850 354 S CB 1.655 64.898 63.200 0.072 0.000 1.118 354 S HN 2.001 nan 8.310 nan 0.000 0.461 355 G N 2.049 110.935 108.800 0.145 0.000 5.045 355 G HA2 -0.253 3.707 3.960 0.000 0.000 0.229 355 G HA3 -0.253 3.707 3.960 0.000 0.000 0.229 355 G C 0.238 175.233 174.900 0.157 0.000 1.440 355 G CA 0.300 45.475 45.100 0.125 0.000 0.936 355 G HN 1.375 nan 8.290 nan 0.000 0.690 356 T N 1.685 116.322 114.554 0.137 0.000 2.751 356 T HA 0.413 4.763 4.350 0.000 0.000 0.279 356 T C 1.108 175.869 174.700 0.102 0.000 0.941 356 T CA 1.165 63.329 62.100 0.106 0.000 1.192 356 T CB 1.271 70.171 68.868 0.053 0.000 0.883 356 T HN 0.721 nan 8.240 nan 0.000 0.534 357 I N 3.598 124.237 120.570 0.115 0.000 4.228 357 I HA 0.320 4.490 4.170 0.000 0.000 0.298 357 I C -0.097 176.117 176.117 0.162 0.000 1.206 357 I CA -0.007 61.332 61.300 0.066 0.000 1.322 357 I CB 0.292 38.311 38.000 0.032 0.000 1.411 357 I HN 0.622 nan 8.210 nan 0.000 0.454 358 L N 2.889 124.193 121.223 0.136 0.000 3.642 358 L HA -0.172 4.168 4.340 0.000 0.000 0.613 358 L C -2.081 174.818 176.870 0.047 0.000 1.064 358 L CA -0.598 54.330 54.840 0.146 0.000 1.039 358 L CB -1.743 40.461 42.059 0.242 0.000 1.226 358 L HN 0.204 nan 8.230 nan 0.000 0.764 359 P HA -0.043 nan 4.420 nan 0.000 0.265 359 P C -0.086 177.111 177.300 -0.171 0.000 1.187 359 P CA 0.022 62.988 63.100 -0.222 0.000 0.766 359 P CB 0.349 31.973 31.700 -0.127 0.000 0.820 360 Y N 2.325 122.438 120.300 -0.312 0.000 2.846 360 Y HA -0.247 4.303 4.550 0.000 0.000 0.352 360 Y C 1.808 177.651 175.900 -0.095 0.000 1.298 360 Y CA -0.265 57.622 58.100 -0.355 0.000 1.634 360 Y CB -0.335 37.812 38.460 -0.521 0.000 1.214 360 Y HN 0.568 nan 8.280 nan 0.000 0.529 361 D N 1.243 121.782 120.400 0.231 0.000 2.632 361 D HA -0.367 4.273 4.640 0.000 0.000 0.588 361 D C 0.953 177.317 176.300 0.106 0.000 0.941 361 D CA 2.386 56.499 54.000 0.189 0.000 1.653 361 D CB -0.527 40.417 40.800 0.240 0.000 0.356 361 D HN 0.540 nan 8.370 nan 0.000 0.482 362 T N 0.324 114.932 114.554 0.089 0.000 3.751 362 T HA 0.209 4.559 4.350 0.000 0.000 0.240 362 T C -1.519 173.205 174.700 0.040 0.000 1.004 362 T CA -0.641 61.492 62.100 0.054 0.000 1.645 362 T CB -0.620 68.272 68.868 0.041 0.000 0.763 362 T HN 0.022 nan 8.240 nan 0.000 0.625 363 N N 3.755 122.481 118.700 0.044 0.000 2.372 363 N HA 0.425 5.165 4.740 0.000 0.000 0.291 363 N C -2.302 173.229 175.510 0.035 0.000 1.024 363 N CA -1.931 51.138 53.050 0.032 0.000 0.873 363 N CB 2.139 40.635 38.487 0.014 0.000 1.206 363 N HN 0.245 nan 8.380 nan 0.000 0.486 364 P HA 0.077 nan 4.420 nan 0.000 0.285 364 P C -0.683 176.632 177.300 0.025 0.000 1.521 364 P CA 0.431 63.541 63.100 0.016 0.000 0.792 364 P CB 0.041 31.748 31.700 0.011 0.000 1.613 365 D N -0.060 120.375 120.400 0.057 0.000 2.772 365 D HA 0.177 4.817 4.640 0.000 0.000 0.272 365 D C 1.477 177.813 176.300 0.061 0.000 1.314 365 D CA -0.178 53.884 54.000 0.103 0.000 0.835 365 D CB 0.558 41.438 40.800 0.134 0.000 1.080 365 D HN 0.211 nan 8.370 nan 0.000 0.482 366 L N 0.085 121.287 121.223 -0.035 0.000 2.084 366 L HA -0.016 4.324 4.340 0.000 0.000 0.202 366 L C 1.357 178.150 176.870 -0.128 0.000 1.074 366 L CA 0.520 55.280 54.840 -0.134 0.000 0.757 366 L CB -0.427 41.582 42.059 -0.083 0.000 0.918 366 L HN -0.030 nan 8.230 nan 0.000 0.444 367 S N -0.108 115.557 115.700 -0.058 0.000 2.562 367 S HA 0.186 4.656 4.470 0.000 0.000 0.281 367 S C 0.848 175.431 174.600 -0.028 0.000 1.333 367 S CA 0.176 58.354 58.200 -0.035 0.000 1.052 367 S CB 0.798 63.991 63.200 -0.012 0.000 0.884 367 S HN 0.531 nan 8.310 nan 0.000 0.506 368 T N -1.726 112.812 114.554 -0.026 0.000 5.686 368 T HA -0.196 4.154 4.350 0.000 0.000 0.270 368 T C 0.051 174.735 174.700 -0.026 0.000 2.203 368 T CA 0.509 62.601 62.100 -0.013 0.000 3.730 368 T CB -3.080 65.797 68.868 0.015 0.000 0.770 368 T HN 1.499 nan 8.240 nan 0.000 1.144 369 S N 1.084 116.726 115.700 -0.097 0.000 2.498 369 S HA 0.726 5.196 4.470 0.000 0.000 0.324 369 S C 0.210 174.692 174.600 -0.196 0.000 1.071 369 S CA -0.299 57.800 58.200 -0.168 0.000 1.113 369 S CB 1.864 64.785 63.200 -0.464 0.000 0.976 369 S HN 1.460 nan 8.310 nan 0.000 0.462 370 V N -0.385 119.442 119.914 -0.146 0.000 2.630 370 V HA 0.694 4.814 4.120 0.000 0.000 0.305 370 V C -3.132 172.857 176.094 -0.176 0.000 1.046 370 V CA -3.193 59.006 62.300 -0.168 0.000 0.934 370 V CB 0.981 32.752 31.823 -0.088 0.000 1.003 370 V HN 0.483 nan 8.190 nan 0.000 0.451 371 P HA 0.449 nan 4.420 nan 0.000 0.265 371 P C -0.424 176.826 177.300 -0.084 0.000 1.222 371 P CA 0.667 63.636 63.100 -0.218 0.000 0.767 371 P CB 0.631 32.123 31.700 -0.348 0.000 0.801 372 A N 3.922 126.707 122.820 -0.059 0.000 2.479 372 A HA 0.759 5.079 4.320 0.000 0.000 0.296 372 A C -1.626 176.004 177.584 0.077 0.000 1.121 372 A CA -0.617 51.425 52.037 0.010 0.000 0.743 372 A CB 1.128 20.103 19.000 -0.042 0.000 1.323 372 A HN 0.420 nan 8.150 nan 0.000 0.415 373 F N 1.464 121.408 119.950 -0.010 0.000 2.458 373 F HA 0.662 5.189 4.527 0.000 0.000 0.336 373 F C -0.972 174.846 175.800 0.029 0.000 1.114 373 F CA -0.526 57.481 58.000 0.012 0.000 0.987 373 F CB 1.745 40.759 39.000 0.024 0.000 1.130 373 F HN 0.328 nan 8.300 nan 0.000 0.458 374 V N 7.544 126.939 119.914 -0.865 0.000 2.444 374 V HA 0.353 4.473 4.120 0.000 0.000 0.294 374 V C -0.623 174.945 176.094 -0.877 0.000 1.022 374 V CA -0.811 61.106 62.300 -0.637 0.000 0.850 374 V CB 1.463 33.132 31.823 -0.256 0.000 0.992 374 V HN 0.718 nan 8.190 nan 0.000 0.426 375 L N 6.095 126.985 121.223 -0.555 0.000 2.350 375 L HA 0.583 4.923 4.340 0.000 0.000 0.275 375 L C -0.403 176.423 176.870 -0.074 0.000 1.099 375 L CA 0.351 55.054 54.840 -0.229 0.000 0.808 375 L CB 1.056 43.127 42.059 0.020 0.000 1.149 375 L HN 0.517 nan 8.230 nan 0.000 0.442 376 I N 4.223 124.816 120.570 0.037 0.000 2.362 376 I HA 0.338 4.508 4.170 0.000 0.000 0.289 376 I C -0.501 175.727 176.117 0.185 0.000 0.994 376 I CA -0.380 60.986 61.300 0.110 0.000 1.158 376 I CB 1.378 39.467 38.000 0.149 0.000 1.315 376 I HN 0.548 nan 8.210 nan 0.000 0.451 377 Q N 4.461 124.318 119.800 0.095 0.000 2.788 377 Q HA 0.347 4.687 4.340 0.000 0.000 0.261 377 Q C -0.571 175.422 176.000 -0.011 0.000 1.029 377 Q CA -0.231 55.584 55.803 0.020 0.000 0.848 377 Q CB 1.751 30.487 28.738 -0.004 0.000 1.185 377 Q HN 0.628 nan 8.270 nan 0.000 0.482 378 T N -0.992 113.572 114.554 0.017 0.000 2.886 378 T HA 0.253 4.603 4.350 0.000 0.000 0.292 378 T C 0.532 175.099 174.700 -0.220 0.000 1.012 378 T CA -0.477 61.612 62.100 -0.019 0.000 0.982 378 T CB 1.433 70.353 68.868 0.085 0.000 1.018 378 T HN 0.232 nan 8.240 nan 0.000 0.451 379 S N 2.346 117.863 115.700 -0.305 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 0.089 0.000 0.963 379 S CA -0.056 57.882 58.200 -0.436 0.000 0.932 379 S CB -0.096 62.930 63.200 -0.291 0.000 0.775 379 S HN 0.552 nan 8.310 nan 0.000 0.531 380 V N 4.191 124.203 119.914 0.163 0.000 2.311 380 V HA 0.270 4.390 4.120 0.000 0.000 0.275 380 V C -2.531 173.760 176.094 0.328 0.000 1.022 380 V CA -2.339 60.097 62.300 0.226 0.000 0.830 380 V CB 0.912 32.801 31.823 0.111 0.000 1.012 380 V HN 0.049 nan 8.190 nan 0.000 0.452 381 P HA 0.066 nan 4.420 nan 0.000 0.260 381 P C 1.384 178.746 177.300 0.103 0.000 1.185 381 P CA 0.008 63.290 63.100 0.305 0.000 0.763 381 P CB 0.429 32.222 31.700 0.156 0.000 0.776 382 I N 2.392 122.913 120.570 -0.082 0.000 2.317 382 I HA -0.351 3.819 4.170 0.000 0.000 0.244 382 I C 1.811 177.978 176.117 0.084 0.000 0.986 382 I CA 2.134 63.352 61.300 -0.136 0.000 1.286 382 I CB -1.339 36.468 38.000 -0.323 0.000 0.983 382 I HN 0.461 nan 8.210 nan 0.000 0.422 383 Q N -0.213 119.621 119.800 0.057 0.000 2.364 383 Q HA -0.181 4.159 4.340 0.000 0.000 0.207 383 Q C 1.995 178.052 176.000 0.095 0.000 0.970 383 Q CA 0.969 56.814 55.803 0.070 0.000 0.888 383 Q CB -0.297 28.436 28.738 -0.007 0.000 0.951 383 Q HN 0.571 nan 8.270 nan 0.000 0.469 384 Q N -1.083 118.766 119.800 0.081 0.000 2.425 384 Q HA 0.092 4.432 4.340 0.000 0.000 0.204 384 Q C -0.264 175.771 176.000 0.058 0.000 0.933 384 Q CA 0.164 56.008 55.803 0.069 0.000 0.939 384 Q CB 0.715 29.492 28.738 0.064 0.000 1.044 384 Q HN 0.063 nan 8.270 nan 0.000 0.513 385 V N 2.161 122.109 119.914 0.057 0.000 2.276 385 V HA 0.072 4.192 4.120 0.000 0.000 0.249 385 V C 1.071 177.120 176.094 -0.076 0.000 1.160 385 V CA 0.682 62.967 62.300 -0.025 0.000 1.042 385 V CB -0.216 31.546 31.823 -0.101 0.000 1.224 385 V HN 0.396 nan 8.190 nan 0.000 0.496 386 T N -0.578 113.953 114.554 -0.038 0.000 3.000 386 T HA 0.110 4.460 4.350 0.000 0.000 0.248 386 T C 0.882 175.541 174.700 -0.068 0.000 1.034 386 T CA 0.649 62.724 62.100 -0.041 0.000 1.060 386 T CB 0.487 69.361 68.868 0.010 0.000 0.983 386 T HN 0.650 nan 8.240 nan 0.000 0.482 387 T N -1.832 112.686 114.554 -0.060 0.000 2.910 387 T HA 0.775 5.125 4.350 0.000 0.000 0.287 387 T C 1.592 176.251 174.700 -0.068 0.000 1.050 387 T CA -0.220 61.843 62.100 -0.062 0.000 1.011 387 T CB 1.471 70.315 68.868 -0.040 0.000 1.195 387 T HN 0.101 nan 8.240 nan 0.000 0.540 388 A N 0.783 123.565 122.820 -0.064 0.000 1.958 388 A HA 0.083 4.403 4.320 0.000 0.000 0.221 388 A C 2.613 180.172 177.584 -0.042 0.000 1.178 388 A CA 2.511 54.515 52.037 -0.056 0.000 0.642 388 A CB -1.658 17.312 19.000 -0.050 0.000 0.816 388 A HN 1.435 nan 8.150 nan 0.000 0.453 389 A N 0.574 123.374 122.820 -0.034 0.000 1.917 389 A HA -0.283 4.037 4.320 0.000 0.000 0.219 389 A C 1.802 179.375 177.584 -0.018 0.000 1.182 389 A CA 2.178 54.202 52.037 -0.023 0.000 0.633 389 A CB -0.868 18.122 19.000 -0.017 0.000 0.819 389 A HN 0.648 nan 8.150 nan 0.000 0.448 390 N N 0.671 119.359 118.700 -0.021 0.000 2.094 390 N HA -0.213 4.527 4.740 0.000 0.000 0.191 390 N C 1.469 176.973 175.510 -0.010 0.000 1.023 390 N CA 1.891 54.933 53.050 -0.013 0.000 0.857 390 N CB -0.855 37.622 38.487 -0.018 0.000 1.013 390 N HN 0.744 nan 8.380 nan 0.000 0.426 391 I N -1.950 118.605 120.570 -0.026 0.000 2.300 391 I HA -0.274 3.896 4.170 0.000 0.000 0.252 391 I C 1.135 177.252 176.117 0.001 0.000 1.119 391 I CA 1.247 62.536 61.300 -0.019 0.000 1.384 391 I CB -1.249 36.731 38.000 -0.035 0.000 1.062 391 I HN 0.093 nan 8.210 nan 0.000 0.426 392 T N -0.111 114.440 114.554 -0.005 0.000 13.467 392 T HA -0.364 3.986 4.350 0.000 0.000 0.419 392 T C 0.624 175.320 174.700 -0.006 0.000 1.441 392 T CA 2.261 64.356 62.100 -0.008 0.000 2.354 392 T CB -1.805 67.055 68.868 -0.014 0.000 2.797 392 T HN 1.201 nan 8.240 nan 0.000 0.557 393 A N 1.961 124.781 122.820 0.000 0.000 2.310 393 A HA 0.692 5.012 4.320 0.000 0.000 0.304 393 A C -0.171 177.417 177.584 0.007 0.000 1.231 393 A CA -0.745 51.294 52.037 0.004 0.000 0.799 393 A CB 0.209 19.212 19.000 0.004 0.000 1.162 393 A HN 0.805 nan 8.150 nan 0.000 0.486 394 I N 1.697 122.266 120.570 -0.001 0.000 2.281 394 I HA 0.480 4.650 4.170 0.000 0.000 0.293 394 I C 0.273 176.388 176.117 -0.002 0.000 1.085 394 I CA -0.255 61.040 61.300 -0.007 0.000 1.257 394 I CB 0.856 38.851 38.000 -0.008 0.000 1.430 394 I HN 0.411 nan 8.210 nan 0.000 0.489 395 T N 2.908 117.455 114.554 -0.012 0.000 2.770 395 T HA 0.495 4.845 4.350 0.000 0.000 0.297 395 T C 0.004 174.686 174.700 -0.031 0.000 0.997 395 T CA -0.770 61.330 62.100 0.000 0.000 0.949 395 T CB 1.077 69.956 68.868 0.019 0.000 0.941 395 T HN 0.341 nan 8.240 nan 0.000 0.457 396 V N 5.228 125.139 119.914 -0.005 0.000 2.420 396 V HA 0.025 4.145 4.120 0.000 0.000 0.274 396 V C 1.367 177.481 176.094 0.033 0.000 1.003 396 V CA -0.069 62.228 62.300 -0.005 0.000 1.092 396 V CB -0.439 31.400 31.823 0.027 0.000 1.002 396 V HN 0.902 nan 8.190 nan 0.000 0.473 397 V N 3.393 123.337 119.914 0.051 0.000 2.581 397 V HA 0.050 4.170 4.120 0.000 0.000 0.240 397 V C 1.113 177.309 176.094 0.171 0.000 1.054 397 V CA 0.952 63.339 62.300 0.144 0.000 1.076 397 V CB 0.320 32.286 31.823 0.239 0.000 0.748 397 V HN 0.798 nan 8.190 nan 0.000 0.474 398 S N 0.418 116.253 115.700 0.225 0.000 2.426 398 S HA 0.729 5.199 4.470 0.000 0.000 0.236 398 S C 0.388 175.068 174.600 0.134 0.000 1.368 398 S CA 0.319 58.648 58.200 0.215 0.000 1.154 398 S CB 1.209 64.582 63.200 0.288 0.000 1.037 398 S HN 0.493 nan 8.310 nan 0.000 0.481 399 A N 1.403 124.274 122.820 0.086 0.000 2.295 399 A HA 0.794 5.114 4.320 0.000 0.000 0.193 399 A C 1.223 178.838 177.584 0.051 0.000 1.512 399 A CA 0.736 52.806 52.037 0.055 0.000 1.103 399 A CB -0.441 18.571 19.000 0.021 0.000 1.331 399 A HN 1.375 nan 8.150 nan 0.000 0.501 400 A N -0.441 122.408 122.820 0.049 0.000 5.218 400 A HA -0.064 4.256 4.320 0.000 0.000 0.318 400 A C 1.553 179.144 177.584 0.011 0.000 1.887 400 A CA 1.417 53.475 52.037 0.036 0.000 0.712 400 A CB -2.044 16.987 19.000 0.052 0.000 1.343 400 A HN 2.117 nan 8.150 nan 0.000 0.377 401 G N -0.328 108.480 108.800 0.013 0.000 2.494 401 G HA2 0.612 4.572 3.960 0.000 0.000 0.297 401 G HA3 0.612 4.572 3.960 0.000 0.000 0.297 401 G C 0.184 175.073 174.900 -0.018 0.000 0.971 401 G CA 1.051 46.146 45.100 -0.009 0.000 1.378 401 G HN 2.089 nan 8.290 nan 0.000 0.456 402 A N 2.926 125.714 122.820 -0.053 0.000 3.078 402 A HA 0.588 4.908 4.320 0.000 0.000 0.279 402 A C 1.206 178.746 177.584 -0.073 0.000 1.594 402 A CA 0.142 52.143 52.037 -0.059 0.000 1.301 402 A CB -0.208 18.754 19.000 -0.064 0.000 1.162 402 A HN 0.888 nan 8.150 nan 0.000 0.585 403 S N 0.116 115.789 115.700 -0.044 0.000 3.657 403 S HA 0.930 5.400 4.470 0.000 0.000 0.183 403 S C 0.328 174.916 174.600 -0.019 0.000 0.995 403 S CA 0.242 58.424 58.200 -0.030 0.000 1.333 403 S CB 0.368 63.551 63.200 -0.028 0.000 1.197 403 S HN 2.117 nan 8.310 nan 0.000 0.856 404 A N -0.247 122.570 122.820 -0.004 0.000 2.519 404 A HA 0.643 4.963 4.320 0.000 0.000 0.298 404 A C -2.104 175.495 177.584 0.025 0.000 0.963 404 A CA -0.257 51.788 52.037 0.012 0.000 0.624 404 A CB 0.025 19.013 19.000 -0.020 0.000 1.356 404 A HN 1.384 nan 8.150 nan 0.000 0.441 405 I N 0.029 120.633 120.570 0.056 0.000 2.775 405 I HA 0.507 4.677 4.170 0.000 0.000 0.295 405 I C -0.965 175.203 176.117 0.085 0.000 1.287 405 I CA -0.479 60.851 61.300 0.050 0.000 1.029 405 I CB 2.112 40.133 38.000 0.034 0.000 1.282 405 I HN 0.570 nan 8.210 nan 0.000 0.426 406 N N 6.698 125.429 118.700 0.051 0.000 2.736 406 N HA 0.146 4.886 4.740 0.000 0.000 0.307 406 N C 0.764 176.300 175.510 0.045 0.000 1.212 406 N CA 0.266 53.350 53.050 0.057 0.000 1.158 406 N CB -0.198 38.304 38.487 0.026 0.000 1.460 406 N HN 0.537 nan 8.380 nan 0.000 0.514 407 L N -0.262 121.003 121.223 0.071 0.000 2.478 407 L HA 0.094 4.434 4.340 0.000 0.000 0.223 407 L C 1.090 177.899 176.870 -0.102 0.000 1.140 407 L CA -0.104 54.688 54.840 -0.081 0.000 0.842 407 L CB -0.250 41.635 42.059 -0.290 0.000 0.953 407 L HN 0.374 nan 8.230 nan 0.000 0.452 408 A N 0.689 123.549 122.820 0.067 0.000 2.450 408 A HA 0.274 4.594 4.320 0.000 0.000 0.255 408 A C 0.345 177.945 177.584 0.026 0.000 1.096 408 A CA -0.353 51.730 52.037 0.078 0.000 0.778 408 A CB -0.280 18.807 19.000 0.144 0.000 1.031 408 A HN 0.221 nan 8.150 nan 0.000 0.494 409 I N 3.314 123.894 120.570 0.015 0.000 2.906 409 I HA -0.100 4.070 4.170 0.000 0.000 0.312 409 I C 1.080 177.208 176.117 0.017 0.000 1.169 409 I CA 0.464 61.769 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 0.740 nan 8.210 nan 0.000 1.067 410 N N 2.104 120.814 118.700 0.016 0.000 2.463 410 N HA -0.067 4.673 4.740 0.000 0.000 0.181 410 N C 1.777 177.295 175.510 0.013 0.000 1.078 410 N CA 0.168 53.228 53.050 0.018 0.000 0.902 410 N CB 0.294 38.791 38.487 0.017 0.000 0.970 410 N HN 0.362 nan 8.380 nan 0.000 0.451 411 V N 0.936 120.855 119.914 0.009 0.000 2.392 411 V HA -0.205 3.915 4.120 0.000 0.000 0.249 411 V C 1.203 177.302 176.094 0.009 0.000 1.059 411 V CA 1.648 63.953 62.300 0.007 0.000 1.051 411 V CB -0.271 31.554 31.823 0.004 0.000 0.658 411 V HN 0.276 nan 8.190 nan 0.000 0.455 412 R N -0.300 120.207 120.500 0.011 0.000 2.700 412 R HA 0.465 4.805 4.340 0.000 0.000 0.377 412 R C 1.257 177.566 176.300 0.015 0.000 1.130 412 R CA 0.531 56.638 56.100 0.012 0.000 1.055 412 R CB 0.358 30.665 30.300 0.011 0.000 1.387 412 R HN 0.447 nan 8.270 nan 0.000 0.580 413 G N -0.108 108.702 108.800 0.016 0.000 2.253 413 G HA2 -0.363 3.597 3.960 0.000 0.000 0.251 413 G HA3 -0.363 3.597 3.960 0.000 0.000 0.251 413 G C 0.051 174.966 174.900 0.025 0.000 0.998 413 G CA -0.109 45.003 45.100 0.020 0.000 0.621 413 G HN 0.398 nan 8.290 nan 0.000 0.524 414 Q N 1.379 121.194 119.800 0.026 0.000 2.361 414 Q HA 0.459 4.799 4.340 0.000 0.000 0.276 414 Q C -2.178 173.847 176.000 0.042 0.000 1.022 414 Q CA -0.355 55.468 55.803 0.033 0.000 0.898 414 Q CB 1.139 29.895 28.738 0.031 0.000 1.246 414 Q HN 0.354 nan 8.270 nan 0.000 0.410 415 P HA 0.280 nan 4.420 nan 0.000 0.199 415 P C -1.217 176.140 177.300 0.094 0.000 1.878 415 P CA -0.547 62.594 63.100 0.069 0.000 1.202 415 P CB 0.785 32.522 31.700 0.062 0.000 1.719 416 R N 2.208 122.764 120.500 0.094 0.000 2.337 416 R HA 0.359 4.699 4.340 0.000 0.000 0.319 416 R C -0.536 175.842 176.300 0.130 0.000 0.954 416 R CA -1.027 55.136 56.100 0.104 0.000 0.840 416 R CB 0.625 30.962 30.300 0.061 0.000 1.164 416 R HN 0.315 nan 8.270 nan 0.000 0.472 417 F N 3.179 123.140 119.950 0.018 0.000 2.538 417 F HA -0.036 4.491 4.527 0.000 0.000 0.382 417 F C 1.314 177.125 175.800 0.017 0.000 1.069 417 F CA 0.115 58.125 58.000 0.016 0.000 1.138 417 F CB 0.211 39.224 39.000 0.021 0.000 1.068 417 F HN 0.550 nan 8.300 nan 0.000 0.556 418 N N 6.051 124.313 118.700 -0.729 0.000 2.236 418 N HA -0.137 4.603 4.740 0.000 0.000 0.238 418 N C 0.050 175.250 175.510 -0.517 0.000 1.244 418 N CA -0.271 52.416 53.050 -0.604 0.000 0.848 418 N CB 0.474 38.619 38.487 -0.571 0.000 1.094 418 N HN 0.646 nan 8.380 nan 0.000 0.448 419 M N 2.412 121.883 119.600 -0.214 0.000 2.435 419 M HA 0.187 4.667 4.480 0.000 0.000 0.338 419 M C -1.043 175.241 176.300 -0.026 0.000 1.628 419 M CA -0.268 54.992 55.300 -0.066 0.000 1.215 419 M CB 0.134 32.727 32.600 -0.011 0.000 1.905 419 M HN 0.370 nan 8.290 nan 0.000 0.457 420 L N 4.101 125.380 121.223 0.093 0.000 2.334 420 L HA 0.355 4.695 4.340 0.000 0.000 0.277 420 L C -0.714 176.260 176.870 0.174 0.000 1.075 420 L CA 0.063 55.007 54.840 0.174 0.000 0.804 420 L CB 1.010 43.265 42.059 0.326 0.000 1.174 420 L HN 0.728 nan 8.230 nan 0.000 0.438 421 H N 4.203 123.312 119.070 0.066 0.000 2.661 421 H HA 0.484 5.040 4.556 0.000 0.000 0.290 421 H C -1.046 174.314 175.328 0.053 0.000 1.082 421 H CA -0.447 55.631 56.048 0.050 0.000 1.234 421 H CB 0.455 30.234 29.762 0.029 0.000 1.387 421 H HN 0.545 nan 8.280 nan 0.000 0.476 422 L N 3.962 125.158 121.223 -0.044 0.000 2.357 422 L HA 0.370 4.710 4.340 0.000 0.000 0.273 422 L C -0.270 176.539 176.870 -0.102 0.000 1.080 422 L CA -0.730 54.101 54.840 -0.015 0.000 0.803 422 L CB 1.274 43.354 42.059 0.034 0.000 1.174 422 L HN 0.575 nan 8.230 nan 0.000 0.443 423 Q N 2.298 122.085 119.800 -0.022 0.000 2.304 423 Q HA 0.542 4.882 4.340 0.000 0.000 0.270 423 Q C -1.131 174.868 176.000 -0.002 0.000 1.035 423 Q CA -0.478 55.305 55.803 -0.034 0.000 0.781 423 Q CB 2.388 31.144 28.738 0.032 0.000 1.261 423 Q HN 0.669 nan 8.270 nan 0.000 0.444 424 A N 1.855 124.634 122.820 -0.068 0.000 2.536 424 A HA 0.379 4.699 4.320 0.000 0.000 0.329 424 A C 0.373 177.974 177.584 0.029 0.000 1.321 424 A CA -0.718 51.317 52.037 -0.004 0.000 0.804 424 A CB 0.006 18.929 19.000 -0.128 0.000 1.126 424 A HN 0.638 nan 8.150 nan 0.000 0.480 425 T N 0.624 115.204 114.554 0.044 0.000 3.235 425 T HA -0.053 4.297 4.350 0.000 0.000 0.211 425 T C 0.050 174.766 174.700 0.026 0.000 0.983 425 T CA 0.017 62.129 62.100 0.020 0.000 2.783 425 T CB -1.233 67.640 68.868 0.008 0.000 1.023 425 T HN 0.516 nan 8.240 nan 0.000 0.506 426 F N 3.513 123.451 119.950 -0.020 0.000 2.616 426 F HA 0.211 4.738 4.527 0.000 0.000 0.331 426 F C 0.029 175.822 175.800 -0.012 0.000 1.309 426 F CA -1.274 56.720 58.000 -0.010 0.000 1.068 426 F CB -0.733 38.248 39.000 -0.033 0.000 1.464 426 F HN 0.409 nan 8.300 nan 0.000 0.667 427 E N 6.244 126.214 120.200 -0.383 0.000 2.101 427 E HA 0.102 4.452 4.350 0.000 0.000 0.260 427 E C 1.266 177.764 176.600 -0.170 0.000 0.897 427 E CA -0.326 55.868 56.400 -0.343 0.000 0.744 427 E CB 0.727 30.328 29.700 -0.165 0.000 1.140 427 E HN 0.709 nan 8.360 nan 0.000 0.419 428 R N 1.911 122.263 120.500 -0.247 0.000 2.211 428 R HA -0.189 4.151 4.340 0.000 0.000 0.240 428 R C 0.671 176.991 176.300 0.032 0.000 1.144 428 R CA 1.398 57.524 56.100 0.044 0.000 0.992 428 R CB -0.070 30.311 30.300 0.134 0.000 0.869 428 R HN 0.207 nan 8.270 nan 0.000 0.462 429 E N 0.872 121.060 120.200 -0.021 0.000 2.153 429 E HA -0.102 4.248 4.350 0.000 0.000 0.194 429 E C 1.809 178.412 176.600 0.005 0.000 0.988 429 E CA 1.918 58.313 56.400 -0.008 0.000 0.811 429 E CB -0.154 29.530 29.700 -0.026 0.000 0.746 429 E HN 0.375 nan 8.360 nan 0.000 0.466 430 T N 0.569 115.127 114.554 0.006 0.000 2.721 430 T HA -0.181 4.169 4.350 0.000 0.000 0.268 430 T C 1.710 176.429 174.700 0.032 0.000 1.038 430 T CA 1.484 63.597 62.100 0.022 0.000 1.145 430 T CB -0.164 68.722 68.868 0.031 0.000 0.858 430 T HN 0.147 nan 8.240 nan 0.000 0.459 431 I N 0.089 120.686 120.570 0.045 0.000 3.616 431 I HA 0.097 4.267 4.170 0.000 0.000 0.296 431 I C 0.931 177.065 176.117 0.028 0.000 1.226 431 I CA 0.353 61.674 61.300 0.036 0.000 1.394 431 I CB -0.230 37.797 38.000 0.045 0.000 1.171 431 I HN 0.185 nan 8.210 nan 0.000 0.442 432 T N 0.060 114.636 114.554 0.037 0.000 3.882 432 T HA -0.131 4.219 4.350 0.000 0.000 0.366 432 T C 0.884 175.607 174.700 0.039 0.000 0.760 432 T CA 0.255 62.377 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 1.329 nan 8.240 nan 0.000 0.790 433 G N 1.536 110.366 108.800 0.051 0.000 2.575 433 G HA2 -0.095 3.865 3.960 0.000 0.000 0.267 433 G HA3 -0.095 3.865 3.960 0.000 0.000 0.267 433 G C 0.703 175.609 174.900 0.010 0.000 1.264 433 G CA 0.513 45.642 45.100 0.049 0.000 0.935 433 G HN 1.782 nan 8.290 nan 0.000 0.568 434 I N -2.643 117.949 120.570 0.037 0.000 4.407 434 I HA -0.234 3.936 4.170 0.000 0.000 0.066 434 I C -1.545 174.436 176.117 -0.226 0.000 0.591 434 I CA 2.021 63.310 61.300 -0.018 0.000 1.050 434 I CB -1.928 36.069 38.000 -0.006 0.000 0.939 434 I HN 0.738 nan 8.210 nan 0.000 0.169 435 P HA 0.261 nan 4.420 nan 0.000 0.219 435 P C -0.727 176.248 177.300 -0.541 0.000 1.847 435 P CA -0.121 62.699 63.100 -0.468 0.000 1.110 435 P CB -0.600 30.956 31.700 -0.240 0.000 1.839 436 Y N 1.052 121.269 120.300 -0.139 0.000 2.993 436 Y HA -0.060 4.490 4.550 0.000 0.000 0.340 436 Y C 1.109 176.590 175.900 -0.698 0.000 1.273 436 Y CA -0.396 57.507 58.100 -0.329 0.000 1.545 436 Y CB -0.575 37.691 38.460 -0.323 0.000 1.275 436 Y HN 0.150 nan 8.280 nan 0.000 0.617 437 I N 4.223 124.523 120.570 -0.451 0.000 2.325 437 I HA 0.250 4.420 4.170 0.000 0.000 0.291 437 I C -0.532 175.314 176.117 -0.451 0.000 1.019 437 I CA -0.190 60.883 61.300 -0.378 0.000 1.302 437 I CB -0.118 37.809 38.000 -0.122 0.000 1.401 437 I HN 0.463 nan 8.210 nan 0.000 0.485 438 Y N 3.739 124.071 120.300 0.053 0.000 2.602 438 Y HA 0.912 5.462 4.550 0.000 0.000 0.342 438 Y C 0.567 176.491 175.900 0.039 0.000 1.029 438 Y CA -1.329 56.799 58.100 0.047 0.000 1.080 438 Y CB 2.186 40.674 38.460 0.046 0.000 1.284 438 Y HN 0.559 nan 8.280 nan 0.000 0.485 439 G N 0.671 109.609 108.800 0.229 0.000 2.703 439 G HA2 0.550 4.510 3.960 0.000 0.000 0.294 439 G HA3 0.550 4.510 3.960 0.000 0.000 0.294 439 G C -2.634 172.304 174.900 0.062 0.000 1.451 439 G CA -0.632 44.502 45.100 0.055 0.000 0.869 439 G HN 0.550 nan 8.290 nan 0.000 0.516 440 L N 0.420 121.544 121.223 -0.164 0.000 2.303 440 L HA 0.985 5.325 4.340 0.000 0.000 0.256 440 L C 0.278 177.138 176.870 -0.017 0.000 1.034 440 L CA -0.467 54.346 54.840 -0.045 0.000 0.832 440 L CB 2.373 44.391 42.059 -0.068 0.000 1.403 440 L HN 0.911 nan 8.230 nan 0.000 0.419 441 G N -0.090 108.733 108.800 0.039 0.000 2.470 441 G HA2 0.608 4.568 3.960 0.000 0.000 0.320 441 G HA3 0.608 4.568 3.960 0.000 0.000 0.320 441 G C -1.311 173.549 174.900 -0.067 0.000 1.245 441 G CA -0.264 44.858 45.100 0.037 0.000 0.935 441 G HN 0.669 nan 8.290 nan 0.000 0.476 442 T N 0.983 115.473 114.554 -0.107 0.000 3.128 442 T HA 0.331 4.681 4.350 0.000 0.000 0.363 442 T C -0.787 173.819 174.700 -0.157 0.000 1.610 442 T CA -0.691 61.298 62.100 -0.184 0.000 1.126 442 T CB 0.254 69.144 68.868 0.037 0.000 1.416 442 T HN 0.968 nan 8.240 nan 0.000 0.480 443 F N 4.447 124.331 119.950 -0.110 0.000 2.583 443 F HA 0.396 4.923 4.527 0.000 0.000 0.330 443 F C -0.050 175.483 175.800 -0.445 0.000 1.298 443 F CA -1.285 56.587 58.000 -0.213 0.000 1.099 443 F CB -1.444 37.450 39.000 -0.176 0.000 1.540 443 F HN 0.379 nan 8.300 nan 0.000 0.673 444 L N 4.281 125.271 121.223 -0.389 0.000 2.326 444 L HA 0.576 4.916 4.340 0.000 0.000 0.278 444 L C -0.510 176.134 176.870 -0.376 0.000 1.092 444 L CA -0.530 53.790 54.840 -0.867 0.000 0.810 444 L CB 1.052 42.838 42.059 -0.456 0.000 1.153 444 L HN 0.669 nan 8.230 nan 0.000 0.439 445 I N 5.852 126.299 120.570 -0.205 0.000 2.569 445 I HA 0.427 4.597 4.170 0.000 0.000 0.296 445 I C -2.015 174.185 176.117 0.137 0.000 1.028 445 I CA -2.327 59.014 61.300 0.069 0.000 1.082 445 I CB 2.680 40.802 38.000 0.204 0.000 1.264 445 I HN 0.528 nan 8.210 nan 0.000 0.429 446 P HA -0.053 nan 4.420 nan 0.000 0.215 446 P C 0.110 177.484 177.300 0.123 0.000 1.157 446 P CA 0.603 63.795 63.100 0.153 0.000 0.856 446 P CB 0.187 31.979 31.700 0.153 0.000 0.786 447 S N 1.009 116.766 115.700 0.095 0.000 2.506 447 S HA 0.137 4.607 4.470 0.000 0.000 0.291 447 S C -2.310 172.321 174.600 0.052 0.000 1.230 447 S CA -1.307 56.935 58.200 0.070 0.000 1.107 447 S CB -0.798 62.435 63.200 0.055 0.000 0.942 447 S HN -0.126 nan 8.310 nan 0.000 0.502 448 P HA 0.090 nan 4.420 nan 0.000 0.264 448 P C -0.500 176.768 177.300 -0.053 0.000 1.193 448 P CA -0.007 63.091 63.100 -0.003 0.000 0.763 448 P CB 0.366 32.060 31.700 -0.009 0.000 0.810 449 T N -0.595 113.891 114.554 -0.114 0.000 2.795 449 T HA 0.278 4.628 4.350 0.000 0.000 0.282 449 T C 0.290 174.888 174.700 -0.171 0.000 0.980 449 T CA -0.786 61.172 62.100 -0.238 0.000 1.012 449 T CB 0.589 69.145 68.868 -0.520 0.000 0.936 449 T HN 0.144 nan 8.240 nan 0.000 0.457 450 S N 2.893 118.508 115.700 -0.141 0.000 2.670 450 S HA 0.086 4.556 4.470 0.000 0.000 0.328 450 S C 1.709 176.290 174.600 -0.033 0.000 1.179 450 S CA -0.199 57.959 58.200 -0.069 0.000 1.194 450 S CB -0.756 62.421 63.200 -0.039 0.000 1.359 450 S HN 0.858 nan 8.310 nan 0.000 0.555 451 S N 4.068 119.743 115.700 -0.042 0.000 2.389 451 S HA -0.191 4.279 4.470 0.000 0.000 0.231 451 S C 2.221 176.810 174.600 -0.017 0.000 1.052 451 S CA 2.358 60.541 58.200 -0.028 0.000 1.053 451 S CB -0.605 62.561 63.200 -0.057 0.000 0.886 451 S HN 0.996 nan 8.310 nan 0.000 0.456 452 S N 1.818 117.508 115.700 -0.017 0.000 2.348 452 S HA -0.145 4.325 4.470 0.000 0.000 0.221 452 S C 1.643 176.245 174.600 0.003 0.000 1.033 452 S CA 1.449 59.642 58.200 -0.012 0.000 1.010 452 S CB -1.107 62.085 63.200 -0.013 0.000 0.891 452 S HN 0.650 nan 8.310 nan 0.000 0.442 453 N N 1.917 120.628 118.700 0.018 0.000 1.997 453 N HA -0.056 4.684 4.740 0.000 0.000 0.198 453 N C 0.584 176.157 175.510 0.105 0.000 1.063 453 N CA 1.370 54.449 53.050 0.048 0.000 0.860 453 N CB -0.843 37.668 38.487 0.040 0.000 1.063 453 N HN 0.562 nan 8.380 nan 0.000 0.424 454 F N 1.971 121.869 119.950 -0.088 0.000 2.626 454 F HA 0.229 4.756 4.527 0.000 0.000 0.353 454 F C 1.210 176.966 175.800 -0.073 0.000 1.230 454 F CA -0.866 57.082 58.000 -0.088 0.000 1.298 454 F CB -0.355 38.531 39.000 -0.189 0.000 1.670 454 F HN 0.065 nan 8.300 nan 0.000 0.633 455 S N 1.368 116.984 115.700 -0.140 0.000 2.420 455 S HA -0.275 4.195 4.470 0.000 0.000 0.237 455 S C 1.049 175.428 174.600 -0.368 0.000 1.023 455 S CA 0.744 58.815 58.200 -0.215 0.000 0.991 455 S CB -0.787 62.348 63.200 -0.109 0.000 0.792 455 S HN 0.769 nan 8.310 nan 0.000 0.488 456 N N 3.415 121.766 118.700 -0.582 0.000 2.440 456 N HA 0.026 4.766 4.740 0.000 0.000 0.265 456 N C -1.313 173.786 175.510 -0.685 0.000 1.239 456 N CA -1.180 51.514 53.050 -0.594 0.000 0.909 456 N CB 1.105 39.262 38.487 -0.550 0.000 1.066 456 N HN 0.141 nan 8.380 nan 0.000 0.474 457 P HA -0.071 nan 4.420 nan 0.000 0.208 457 P C 0.312 177.661 177.300 0.082 0.000 1.195 457 P CA 1.338 64.373 63.100 -0.108 0.000 0.927 457 P CB 0.167 31.840 31.700 -0.044 0.000 0.778 458 T N -2.233 112.380 114.554 0.099 0.000 3.230 458 T HA 0.320 4.670 4.350 0.000 0.000 0.390 458 T C -1.155 173.505 174.700 -0.067 0.000 1.761 458 T CA -0.607 61.607 62.100 0.191 0.000 1.129 458 T CB -0.173 68.788 68.868 0.155 0.000 1.583 458 T HN -0.121 nan 8.240 nan 0.000 0.480 459 L N 3.967 125.071 121.223 -0.198 0.000 3.094 459 L HA 0.467 4.807 4.340 0.000 0.000 0.254 459 L C 0.985 177.678 176.870 -0.295 0.000 1.298 459 L CA -0.230 54.493 54.840 -0.194 0.000 1.050 459 L CB 0.321 42.419 42.059 0.064 0.000 1.420 459 L HN 0.558 nan 8.230 nan 0.000 0.548 460 M N 1.575 120.870 119.600 -0.508 0.000 3.011 460 M HA 0.106 4.586 4.480 0.000 0.000 0.292 460 M C -0.877 175.316 176.300 -0.179 0.000 1.440 460 M CA 0.379 55.441 55.300 -0.395 0.000 1.552 460 M CB -0.337 31.957 32.600 -0.509 0.000 1.187 460 M HN 0.193 nan 8.290 nan 0.000 0.520 461 D N 2.925 123.254 120.400 -0.118 0.000 2.518 461 D HA 0.400 5.040 4.640 0.000 0.000 0.230 461 D C 0.487 176.780 176.300 -0.012 0.000 1.138 461 D CA -0.100 53.860 54.000 -0.067 0.000 0.964 461 D CB 1.003 41.744 40.800 -0.099 0.000 1.011 461 D HN 0.681 nan 8.370 nan 0.000 0.517 462 G N 0.589 109.394 108.800 0.009 0.000 3.407 462 G HA2 0.485 4.444 3.960 0.000 0.000 0.187 462 G HA3 0.485 4.444 3.960 0.000 0.000 0.187 462 G C -0.928 174.005 174.900 0.056 0.000 1.262 462 G CA -0.323 44.802 45.100 0.041 0.000 0.808 462 G HN 0.304 nan 8.290 nan 0.000 0.687 463 L N -0.438 120.821 121.223 0.060 0.000 2.330 463 L HA 0.834 5.174 4.340 0.000 0.000 0.271 463 L C -1.440 175.476 176.870 0.077 0.000 1.013 463 L CA -0.837 54.046 54.840 0.072 0.000 0.816 463 L CB 2.085 44.178 42.059 0.057 0.000 1.287 463 L HN 0.319 nan 8.230 nan 0.000 0.435 464 L N 3.090 124.389 121.223 0.127 0.000 2.454 464 L HA 0.479 4.819 4.340 0.000 0.000 0.258 464 L C -0.800 176.203 176.870 0.222 0.000 1.025 464 L CA 0.167 55.099 54.840 0.153 0.000 0.901 464 L CB 1.210 43.390 42.059 0.201 0.000 1.210 464 L HN 0.635 nan 8.230 nan 0.000 0.457 465 T N 3.931 118.548 114.554 0.104 0.000 2.875 465 T HA 0.289 4.639 4.350 0.000 0.000 0.307 465 T C 0.192 174.937 174.700 0.074 0.000 1.013 465 T CA -0.259 61.895 62.100 0.091 0.000 0.970 465 T CB 0.317 69.195 68.868 0.018 0.000 0.986 465 T HN 0.254 nan 8.240 nan 0.000 0.536 466 V N 4.698 124.705 119.914 0.154 0.000 2.458 466 V HA 0.017 4.137 4.120 0.000 0.000 0.287 466 V C 1.106 177.211 176.094 0.019 0.000 1.009 466 V CA 0.239 62.552 62.300 0.021 0.000 1.091 466 V CB 0.078 31.808 31.823 -0.156 0.000 0.960 466 V HN 0.819 nan 8.190 nan 0.000 0.476 467 T N 9.080 123.624 114.554 -0.016 0.000 3.688 467 T HA 0.170 4.520 4.350 0.000 0.000 0.307 467 T C -2.009 172.671 174.700 -0.033 0.000 1.382 467 T CA -0.857 61.233 62.100 -0.017 0.000 1.136 467 T CB 0.181 69.041 68.868 -0.013 0.000 1.207 467 T HN 0.577 nan 8.240 nan 0.000 0.854 468 P HA 0.061 nan 4.420 nan 0.000 0.244 468 P C 1.482 178.761 177.300 -0.036 0.000 1.723 468 P CA -0.135 62.939 63.100 -0.043 0.000 1.110 468 P CB -0.237 31.444 31.700 -0.031 0.000 1.972 469 V N 1.124 121.008 119.914 -0.051 0.000 2.317 469 V HA -0.216 3.904 4.120 0.000 0.000 0.251 469 V C 1.342 177.411 176.094 -0.041 0.000 1.065 469 V CA 1.319 63.591 62.300 -0.047 0.000 1.049 469 V CB -1.464 30.324 31.823 -0.059 0.000 0.651 469 V HN 0.196 nan 8.190 nan 0.000 0.450 470 L N 0.728 121.918 121.223 -0.054 0.000 2.387 470 L HA 0.373 4.713 4.340 0.000 0.000 0.267 470 L C 1.019 177.878 176.870 -0.019 0.000 1.197 470 L CA 0.189 55.004 54.840 -0.042 0.000 1.070 470 L CB 0.301 42.322 42.059 -0.064 0.000 1.349 470 L HN 0.152 nan 8.230 nan 0.000 0.422 471 L N 2.186 123.405 121.223 -0.007 0.000 2.450 471 L HA -0.036 4.304 4.340 0.000 0.000 0.224 471 L C 1.084 177.966 176.870 0.019 0.000 1.149 471 L CA 0.796 55.643 54.840 0.012 0.000 0.816 471 L CB -0.590 41.478 42.059 0.014 0.000 0.932 471 L HN 0.413 nan 8.230 nan 0.000 0.449 472 R N 1.679 122.184 120.500 0.008 0.000 2.343 472 R HA 0.077 4.417 4.340 0.000 0.000 0.326 472 R C -0.063 176.247 176.300 0.017 0.000 1.055 472 R CA 0.079 56.186 56.100 0.012 0.000 0.961 472 R CB -0.771 29.531 30.300 0.003 0.000 0.978 472 R HN 0.244 nan 8.270 nan 0.000 0.443 473 E N 1.300 121.519 120.200 0.032 0.000 5.193 473 E HA -0.131 4.219 4.350 0.000 0.000 0.181 473 E C -1.213 175.415 176.600 0.047 0.000 1.240 473 E CA 0.179 56.601 56.400 0.037 0.000 1.194 473 E CB -0.460 29.256 29.700 0.027 0.000 1.015 473 E HN 0.694 nan 8.360 nan 0.000 0.369 474 T N 1.637 116.231 114.554 0.066 0.000 2.884 474 T HA 0.339 4.689 4.350 0.000 0.000 0.298 474 T C 0.524 175.272 174.700 0.080 0.000 0.998 474 T CA -0.194 61.950 62.100 0.073 0.000 1.124 474 T CB 1.389 70.316 68.868 0.098 0.000 0.931 474 T HN 0.272 nan 8.240 nan 0.000 0.531 475 T N 3.262 117.861 114.554 0.075 0.000 2.853 475 T HA 0.068 4.418 4.350 0.000 0.000 0.298 475 T C -0.505 174.274 174.700 0.131 0.000 0.978 475 T CA -0.023 62.133 62.100 0.093 0.000 1.152 475 T CB -0.324 68.583 68.868 0.067 0.000 0.914 475 T HN 0.649 nan 8.240 nan 0.000 0.539 476 Y N 4.328 124.628 120.300 -0.000 0.000 2.676 476 Y HA 0.248 4.798 4.550 0.000 0.000 0.338 476 Y C 0.414 176.319 175.900 0.007 0.000 1.057 476 Y CA -0.823 57.272 58.100 -0.009 0.000 1.314 476 Y CB -0.252 38.194 38.460 -0.023 0.000 1.164 476 Y HN 0.703 nan 8.280 nan 0.000 0.509 477 K N 4.444 124.794 120.400 -0.084 0.000 4.387 477 K HA -0.240 4.080 4.320 0.000 0.000 0.290 477 K C 1.025 177.649 176.600 0.039 0.000 0.936 477 K CA 0.655 56.891 56.287 -0.085 0.000 0.890 477 K CB -1.688 30.669 32.500 -0.239 0.000 1.617 477 K HN 1.159 nan 8.250 nan 0.000 0.437 478 G N 0.772 109.613 108.800 0.068 0.000 2.382 478 G HA2 -0.392 3.568 3.960 0.000 0.000 0.259 478 G HA3 -0.392 3.568 3.960 0.000 0.000 0.259 478 G C 0.008 174.964 174.900 0.094 0.000 1.009 478 G CA 0.878 46.031 45.100 0.088 0.000 0.625 478 G HN 0.609 nan 8.290 nan 0.000 0.541 479 E N 0.972 121.244 120.200 0.120 0.000 1.932 479 E HA 0.387 4.737 4.350 0.000 0.000 0.275 479 E C 0.354 177.018 176.600 0.107 0.000 1.159 479 E CA -0.487 55.986 56.400 0.121 0.000 0.905 479 E CB 1.158 30.960 29.700 0.170 0.000 1.059 479 E HN 0.168 nan 8.360 nan 0.000 0.400 480 V N 4.926 124.887 119.914 0.079 0.000 2.399 480 V HA -0.032 4.088 4.120 0.000 0.000 0.245 480 V C 0.216 176.340 176.094 0.049 0.000 1.089 480 V CA 0.327 62.665 62.300 0.064 0.000 1.196 480 V CB -0.283 31.574 31.823 0.057 0.000 1.221 480 V HN 0.334 nan 8.190 nan 0.000 0.482 481 V N 3.766 123.710 119.914 0.051 0.000 2.715 481 V HA 0.396 4.516 4.120 0.000 0.000 0.310 481 V C 0.837 176.945 176.094 0.024 0.000 1.054 481 V CA -0.579 61.736 62.300 0.025 0.000 0.928 481 V CB 2.304 34.125 31.823 -0.002 0.000 1.007 481 V HN 0.744 nan 8.190 nan 0.000 0.437 482 D N 4.014 124.421 120.400 0.012 0.000 2.348 482 D HA 0.152 4.792 4.640 0.000 0.000 0.248 482 D C 0.236 176.545 176.300 0.016 0.000 1.142 482 D CA 0.601 54.611 54.000 0.017 0.000 0.904 482 D CB 0.460 41.268 40.800 0.014 0.000 0.901 482 D HN 0.559 nan 8.370 nan 0.000 0.523 483 A N 0.817 123.635 122.820 -0.003 0.000 2.356 483 A HA 0.546 4.866 4.320 0.000 0.000 0.310 483 A C -0.704 176.861 177.584 -0.032 0.000 1.075 483 A CA -0.573 51.445 52.037 -0.032 0.000 0.746 483 A CB 1.547 20.484 19.000 -0.105 0.000 1.221 483 A HN -0.006 nan 8.150 nan 0.000 0.443 484 I N 3.784 124.339 120.570 -0.025 0.000 2.411 484 I HA 0.315 4.485 4.170 0.000 0.000 0.284 484 I C -0.094 175.918 176.117 -0.175 0.000 1.012 484 I CA -0.712 60.520 61.300 -0.114 0.000 1.119 484 I CB 1.174 39.011 38.000 -0.271 0.000 1.261 484 I HN 0.460 nan 8.210 nan 0.000 0.448 485 V N 6.122 125.958 119.914 -0.130 0.000 2.250 485 V HA 0.423 4.543 4.120 0.000 0.000 0.268 485 V C -2.171 173.925 176.094 0.004 0.000 1.043 485 V CA -1.610 60.635 62.300 -0.092 0.000 0.814 485 V CB 1.059 32.793 31.823 -0.149 0.000 1.072 485 V HN 0.325 nan 8.190 nan 0.000 0.451 486 P HA -0.154 nan 4.420 nan 0.000 0.213 486 P C 1.943 179.255 177.300 0.021 0.000 1.170 486 P CA 2.817 65.888 63.100 -0.047 0.000 0.902 486 P CB 0.215 31.902 31.700 -0.021 0.000 0.789 487 A N -0.714 122.120 122.820 0.023 0.000 2.032 487 A HA -0.208 4.112 4.320 0.000 0.000 0.221 487 A C 2.084 179.691 177.584 0.039 0.000 1.165 487 A CA 2.557 54.609 52.037 0.024 0.000 0.645 487 A CB -1.922 17.087 19.000 0.016 0.000 0.807 487 A HN 0.392 nan 8.150 nan 0.000 0.453 488 T N -3.186 111.411 114.554 0.071 0.000 3.067 488 T HA 0.061 4.411 4.350 0.000 0.000 0.257 488 T C 1.549 176.336 174.700 0.145 0.000 1.105 488 T CA 0.891 63.056 62.100 0.109 0.000 1.104 488 T CB -0.356 68.596 68.868 0.140 0.000 0.925 488 T HN 0.096 nan 8.240 nan 0.000 0.498 489 V N 0.910 120.906 119.914 0.137 0.000 2.490 489 V HA -0.019 4.101 4.120 0.000 0.000 0.250 489 V C 1.590 177.676 176.094 -0.013 0.000 1.061 489 V CA 0.762 63.067 62.300 0.008 0.000 1.064 489 V CB -1.058 30.743 31.823 -0.038 0.000 0.670 489 V HN 0.499 nan 8.190 nan 0.000 0.461 490 M N 0.655 120.261 119.600 0.011 0.000 2.240 490 M HA 0.251 4.731 4.480 0.000 0.000 0.346 490 M C 1.027 177.328 176.300 0.003 0.000 1.236 490 M CA 0.828 56.131 55.300 0.006 0.000 0.986 490 M CB -0.497 32.107 32.600 0.008 0.000 1.786 490 M HN 0.516 nan 8.290 nan 0.000 0.457 491 A N 3.725 126.545 122.820 -0.000 0.000 2.799 491 A HA -0.239 4.081 4.320 0.000 0.000 0.274 491 A C 0.553 178.133 177.584 -0.006 0.000 1.393 491 A CA 1.649 53.685 52.037 -0.001 0.000 0.909 491 A CB -2.413 16.588 19.000 0.002 0.000 1.012 491 A HN 0.913 nan 8.150 nan 0.000 0.653 492 N N -0.379 118.310 118.700 -0.017 0.000 2.351 492 N HA 0.125 4.865 4.740 0.000 0.000 0.254 492 N C -0.592 174.891 175.510 -0.046 0.000 1.241 492 N CA 0.081 53.114 53.050 -0.029 0.000 0.883 492 N CB 0.632 39.102 38.487 -0.027 0.000 1.202 492 N HN 0.628 nan 8.380 nan 0.000 0.512 493 Q N 0.774 120.555 119.800 -0.033 0.000 2.263 493 Q HA 0.197 4.537 4.340 0.000 0.000 0.262 493 Q C -0.199 175.794 176.000 -0.012 0.000 0.984 493 Q CA -0.311 55.474 55.803 -0.029 0.000 0.813 493 Q CB 2.159 30.875 28.738 -0.037 0.000 1.299 493 Q HN 0.193 nan 8.270 nan 0.000 0.428 494 T N -1.771 112.777 114.554 -0.009 0.000 2.899 494 T HA 0.338 4.688 4.350 0.000 0.000 0.284 494 T C 1.209 175.911 174.700 0.004 0.000 1.004 494 T CA -0.309 61.789 62.100 -0.003 0.000 1.043 494 T CB 1.084 69.949 68.868 -0.005 0.000 1.013 494 T HN 0.332 nan 8.240 nan 0.000 0.518 495 S N 0.396 116.099 115.700 0.006 0.000 2.370 495 S HA -0.129 4.341 4.470 0.000 0.000 0.226 495 S C 1.987 176.600 174.600 0.020 0.000 1.033 495 S CA 0.925 59.132 58.200 0.012 0.000 1.011 495 S CB -0.481 62.723 63.200 0.008 0.000 0.852 495 S HN 0.797 nan 8.310 nan 0.000 0.457 496 E N 1.171 121.380 120.200 0.015 0.000 2.097 496 E HA -0.208 4.142 4.350 0.000 0.000 0.196 496 E C 1.986 178.606 176.600 0.033 0.000 1.000 496 E CA 1.295 57.708 56.400 0.021 0.000 0.804 496 E CB -0.165 29.539 29.700 0.007 0.000 0.740 496 E HN 0.618 nan 8.360 nan 0.000 0.454 497 E N -0.402 119.812 120.200 0.023 0.000 2.047 497 E HA -0.132 4.218 4.350 0.000 0.000 0.191 497 E C 2.267 178.901 176.600 0.057 0.000 0.987 497 E CA 1.257 57.673 56.400 0.027 0.000 0.799 497 E CB 0.067 29.768 29.700 0.002 0.000 0.752 497 E HN 0.062 nan 8.360 nan 0.000 0.449 498 V N 1.686 121.627 119.914 0.044 0.000 2.252 498 V HA -0.343 3.777 4.120 0.000 0.000 0.249 498 V C 2.408 178.563 176.094 0.102 0.000 1.056 498 V CA 2.037 64.371 62.300 0.057 0.000 1.022 498 V CB -1.041 30.803 31.823 0.036 0.000 0.641 498 V HN 0.343 nan 8.190 nan 0.000 0.445 499 A N 1.047 123.924 122.820 0.094 0.000 1.892 499 A HA -0.283 4.037 4.320 0.000 0.000 0.218 499 A C 2.580 180.322 177.584 0.264 0.000 1.188 499 A CA 2.971 55.084 52.037 0.126 0.000 0.631 499 A CB -1.016 18.032 19.000 0.080 0.000 0.822 499 A HN 0.758 nan 8.150 nan 0.000 0.447 500 S N 0.504 116.353 115.700 0.249 0.000 2.370 500 S HA 0.170 4.640 4.470 0.000 0.000 0.226 500 S C 1.298 176.181 174.600 0.472 0.000 1.033 500 S CA 0.673 59.065 58.200 0.321 0.000 1.011 500 S CB -1.204 62.055 63.200 0.099 0.000 0.852 500 S HN 1.364 nan 8.310 nan 0.000 0.457 501 A N 2.189 125.209 122.820 0.333 0.000 2.587 501 A HA 0.329 4.649 4.320 0.000 0.000 0.235 501 A C 0.466 178.234 177.584 0.306 0.000 1.044 501 A CA -0.131 52.083 52.037 0.295 0.000 0.754 501 A CB -0.503 18.589 19.000 0.153 0.000 0.968 501 A HN 0.607 nan 8.150 nan 0.000 0.509 502 L N 1.886 123.173 121.223 0.107 0.000 2.483 502 L HA 0.081 4.421 4.340 0.000 0.000 0.276 502 L C 1.951 178.868 176.870 0.078 0.000 1.213 502 L CA 0.221 55.028 54.840 -0.055 0.000 0.843 502 L CB 0.180 42.078 42.059 -0.269 0.000 1.107 502 L HN 0.951 nan 8.230 nan 0.000 0.487 503 A N 2.644 125.528 122.820 0.106 0.000 1.971 503 A HA -0.259 4.061 4.320 0.000 0.000 0.222 503 A C 1.801 179.413 177.584 0.045 0.000 1.182 503 A CA 2.180 54.263 52.037 0.076 0.000 0.649 503 A CB -0.674 18.360 19.000 0.057 0.000 0.818 503 A HN 0.937 nan 8.150 nan 0.000 0.458 504 N N 0.592 119.305 118.700 0.023 0.000 2.535 504 N HA -0.060 4.680 4.740 0.000 0.000 0.203 504 N C -0.983 174.552 175.510 0.042 0.000 1.301 504 N CA 0.374 53.441 53.050 0.028 0.000 0.859 504 N CB -0.344 38.144 38.487 0.003 0.000 1.055 504 N HN 0.456 nan 8.380 nan 0.000 0.457 505 D N -0.501 119.926 120.400 0.044 0.000 2.502 505 D HA 0.256 4.896 4.640 0.000 0.000 0.249 505 D C 0.844 177.157 176.300 0.021 0.000 1.092 505 D CA -0.300 53.720 54.000 0.034 0.000 0.839 505 D CB 2.155 42.970 40.800 0.024 0.000 1.264 505 D HN 0.110 nan 8.370 nan 0.000 0.511 506 A N 4.851 127.673 122.820 0.004 0.000 1.941 506 A HA -0.315 4.005 4.320 0.000 0.000 0.233 506 A C 2.184 179.738 177.584 -0.050 0.000 1.649 506 A CA 2.473 54.482 52.037 -0.046 0.000 0.726 506 A CB -1.026 17.946 19.000 -0.047 0.000 0.843 506 A HN 0.788 nan 8.150 nan 0.000 0.511 507 I N -0.113 120.428 120.570 -0.048 0.000 2.103 507 I HA -0.329 3.841 4.170 0.000 0.000 0.241 507 I C 2.429 178.555 176.117 0.015 0.000 1.036 507 I CA 2.930 64.219 61.300 -0.019 0.000 1.300 507 I CB -2.324 35.666 38.000 -0.016 0.000 1.010 507 I HN 0.568 nan 8.210 nan 0.000 0.406 508 V N -0.350 119.579 119.914 0.025 0.000 2.667 508 V HA -0.106 4.014 4.120 0.000 0.000 0.252 508 V C 2.661 178.760 176.094 0.008 0.000 1.065 508 V CA 1.163 63.477 62.300 0.022 0.000 1.083 508 V CB -1.102 30.736 31.823 0.025 0.000 0.692 508 V HN 0.429 nan 8.190 nan 0.000 0.468 509 L N 0.206 121.459 121.223 0.050 0.000 2.046 509 L HA -0.085 4.255 4.340 0.000 0.000 0.208 509 L C 2.678 179.567 176.870 0.032 0.000 1.077 509 L CA 1.503 56.398 54.840 0.091 0.000 0.747 509 L CB -0.818 41.440 42.059 0.331 0.000 0.896 509 L HN 0.246 nan 8.230 nan 0.000 0.432 510 V N -1.305 118.724 119.914 0.193 0.000 2.270 510 V HA -0.279 3.841 4.120 0.000 0.000 0.245 510 V C 2.665 178.831 176.094 0.121 0.000 1.043 510 V CA 2.011 64.461 62.300 0.251 0.000 1.014 510 V CB -0.611 31.291 31.823 0.131 0.000 0.645 510 V HN 0.407 nan 8.190 nan 0.000 0.447 511 S N 0.363 116.101 115.700 0.063 0.000 2.370 511 S HA -0.260 4.210 4.470 0.000 0.000 0.226 511 S C 1.899 176.505 174.600 0.009 0.000 1.033 511 S CA 2.152 60.389 58.200 0.061 0.000 1.011 511 S CB -0.532 62.694 63.200 0.045 0.000 0.852 511 S HN 0.674 nan 8.310 nan 0.000 0.457 512 N N 0.596 119.234 118.700 -0.103 0.000 2.104 512 N HA -0.083 4.657 4.740 0.000 0.000 0.190 512 N C 1.443 176.871 175.510 -0.137 0.000 1.024 512 N CA 1.816 54.770 53.050 -0.161 0.000 0.853 512 N CB -0.566 37.765 38.487 -0.261 0.000 1.008 512 N HN 0.651 nan 8.380 nan 0.000 0.424 513 H N -0.096 119.034 119.070 0.099 0.000 2.321 513 H HA 0.013 4.569 4.556 0.000 0.000 0.300 513 H C 1.899 177.291 175.328 0.106 0.000 1.087 513 H CA 0.941 57.036 56.048 0.078 0.000 1.319 513 H CB -0.158 29.654 29.762 0.084 0.000 1.379 513 H HN 0.084 nan 8.280 nan 0.000 0.501 514 L N 0.549 121.906 121.223 0.223 0.000 2.129 514 L HA -0.238 4.102 4.340 0.000 0.000 0.212 514 L C 1.759 178.790 176.870 0.268 0.000 1.087 514 L CA 1.199 56.198 54.840 0.265 0.000 0.757 514 L CB -0.331 41.911 42.059 0.306 0.000 0.896 514 L HN 0.356 nan 8.230 nan 0.000 0.434 515 N N -0.193 118.594 118.700 0.145 0.000 2.188 515 N HA -0.139 4.601 4.740 0.000 0.000 0.184 515 N C 1.670 177.229 175.510 0.082 0.000 1.018 515 N CA 0.938 54.035 53.050 0.079 0.000 0.858 515 N CB -0.013 38.492 38.487 0.029 0.000 0.989 515 N HN 0.289 nan 8.380 nan 0.000 0.426 516 K N 0.271 120.729 120.400 0.097 0.000 2.057 516 K HA -0.098 4.222 4.320 0.000 0.000 0.207 516 K C 1.807 178.467 176.600 0.099 0.000 1.049 516 K CA 0.737 57.078 56.287 0.089 0.000 0.931 516 K CB -0.296 32.259 32.500 0.093 0.000 0.714 516 K HN 0.093 nan 8.250 nan 0.000 0.440 517 L N 1.532 122.838 121.223 0.137 0.000 1.989 517 L HA -0.204 4.136 4.340 0.000 0.000 0.211 517 L C 2.343 179.321 176.870 0.180 0.000 1.071 517 L CA 2.001 56.932 54.840 0.152 0.000 0.749 517 L CB -0.727 41.440 42.059 0.181 0.000 0.890 517 L HN 0.172 nan 8.230 nan 0.000 0.431 518 A N -0.550 122.404 122.820 0.224 0.000 1.917 518 A HA -0.345 3.975 4.320 0.000 0.000 0.219 518 A C 2.186 179.808 177.584 0.063 0.000 1.182 518 A CA 2.288 54.406 52.037 0.134 0.000 0.633 518 A CB -1.234 17.757 19.000 -0.016 0.000 0.819 518 A HN 0.687 nan 8.150 nan 0.000 0.448 519 N N -0.547 118.184 118.700 0.051 0.000 2.069 519 N HA -0.149 4.591 4.740 0.000 0.000 0.191 519 N C 1.507 177.040 175.510 0.039 0.000 1.031 519 N CA 1.786 54.857 53.050 0.034 0.000 0.852 519 N CB -0.234 38.272 38.487 0.032 0.000 1.018 519 N HN 0.202 nan 8.380 nan 0.000 0.423 520 V N -0.144 119.801 119.914 0.053 0.000 2.261 520 V HA -0.223 3.897 4.120 0.000 0.000 0.246 520 V C 2.185 178.310 176.094 0.052 0.000 1.047 520 V CA 1.611 63.941 62.300 0.050 0.000 1.015 520 V CB -0.537 31.319 31.823 0.056 0.000 0.642 520 V HN 0.219 nan 8.190 nan 0.000 0.446 521 V N 0.991 120.947 119.914 0.071 0.000 2.295 521 V HA -0.167 3.953 4.120 0.000 0.000 0.246 521 V C 2.633 178.762 176.094 0.057 0.000 1.049 521 V CA 2.179 64.525 62.300 0.076 0.000 1.024 521 V CB -1.695 30.197 31.823 0.114 0.000 0.648 521 V HN 0.578 nan 8.190 nan 0.000 0.447 522 G N -0.742 108.084 108.800 0.043 0.000 2.408 522 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 522 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 522 G C 1.343 176.257 174.900 0.023 0.000 1.150 522 G CA 0.881 45.998 45.100 0.028 0.000 0.776 522 G HN 0.496 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 2.604 178.918 176.300 0.022 0.000 0.964 523 D CA 1.045 55.057 54.000 0.020 0.000 0.846 523 D CB 0.268 41.079 40.800 0.018 0.000 0.962 523 D HN 0.348 nan 8.370 nan 0.000 0.490 524 A N -0.071 122.765 122.820 0.028 0.000 1.993 524 A HA 0.174 4.494 4.320 0.000 0.000 0.207 524 A C 0.923 178.527 177.584 0.033 0.000 1.224 524 A CA 0.094 52.148 52.037 0.028 0.000 0.749 524 A CB 0.441 19.459 19.000 0.029 0.000 0.884 524 A HN 0.017 nan 8.150 nan 0.000 0.467 525 I N 1.272 121.867 120.570 0.041 0.000 2.392 525 I HA 0.316 4.486 4.170 0.000 0.000 0.295 525 I C -2.207 173.936 176.117 0.044 0.000 0.985 525 I CA -2.287 59.042 61.300 0.047 0.000 1.221 525 I CB 1.821 39.857 38.000 0.060 0.000 1.366 525 I HN 0.036 nan 8.210 nan 0.000 0.467 526 P HA 0.047 nan 4.420 nan 0.000 0.225 526 P C 0.352 177.678 177.300 0.043 0.000 1.813 526 P CA 0.007 63.129 63.100 0.036 0.000 1.013 526 P CB -0.060 31.656 31.700 0.028 0.000 1.961 527 V N -1.138 118.804 119.914 0.047 0.000 3.252 527 V HA 0.483 4.603 4.120 0.000 0.000 0.350 527 V C 0.973 177.087 176.094 0.035 0.000 1.329 527 V CA -0.222 62.108 62.300 0.050 0.000 1.258 527 V CB -0.705 31.157 31.823 0.066 0.000 1.208 527 V HN 0.235 nan 8.190 nan 0.000 0.462 528 A N 0.655 123.491 122.820 0.027 0.000 2.790 528 A HA 0.454 4.774 4.320 0.000 0.000 0.225 528 A C 1.290 178.884 177.584 0.016 0.000 1.904 528 A CA 0.363 52.411 52.037 0.018 0.000 0.878 528 A CB -0.580 18.429 19.000 0.015 0.000 1.774 528 A HN 0.490 nan 8.150 nan 0.000 0.714 529 S N 1.279 116.986 115.700 0.011 0.000 3.797 529 S HA 0.205 4.675 4.470 0.000 0.000 0.187 529 S C 0.415 175.022 174.600 0.012 0.000 1.165 529 S CA 0.819 59.025 58.200 0.010 0.000 1.013 529 S CB -1.069 62.135 63.200 0.006 0.000 1.456 529 S HN 0.719 nan 8.310 nan 0.000 0.442 530 R N -2.157 118.354 120.500 0.018 0.000 2.596 530 R HA -0.112 4.228 4.340 0.000 0.000 0.496 530 R C -0.534 175.779 176.300 0.022 0.000 0.691 530 R CA 0.439 56.552 56.100 0.021 0.000 1.213 530 R CB -2.990 27.319 30.300 0.016 0.000 2.014 530 R HN 0.449 nan 8.270 nan 0.000 0.392 531 T N -0.538 114.030 114.554 0.023 0.000 2.978 531 T HA 0.249 4.599 4.350 0.000 0.000 0.278 531 T C -0.090 174.630 174.700 0.033 0.000 0.945 531 T CA -0.227 61.885 62.100 0.020 0.000 1.070 531 T CB 1.182 70.059 68.868 0.016 0.000 0.948 531 T HN 0.179 nan 8.240 nan 0.000 0.617 532 D N 2.897 123.313 120.400 0.026 0.000 2.344 532 D HA 0.224 4.864 4.640 0.000 0.000 0.253 532 D C -0.545 175.750 176.300 -0.008 0.000 1.255 532 D CA -0.150 53.873 54.000 0.039 0.000 0.894 532 D CB 0.633 41.441 40.800 0.014 0.000 1.067 532 D HN 0.661 nan 8.370 nan 0.000 0.492 533 D N 0.872 121.299 120.400 0.044 0.000 2.217 533 D HA 0.144 4.784 4.640 0.000 0.000 0.243 533 D C 1.304 177.658 176.300 0.090 0.000 1.054 533 D CA -0.484 53.535 54.000 0.032 0.000 0.838 533 D CB 1.263 42.083 40.800 0.034 0.000 1.162 533 D HN 0.188 nan 8.370 nan 0.000 0.472 534 S N 2.992 118.695 115.700 0.005 0.000 2.432 534 S HA -0.380 4.090 4.470 0.000 0.000 0.243 534 S C 2.111 176.847 174.600 0.227 0.000 1.069 534 S CA 1.417 59.681 58.200 0.106 0.000 1.047 534 S CB -0.751 62.466 63.200 0.028 0.000 0.854 534 S HN 0.585 nan 8.310 nan 0.000 0.474 535 A N 2.134 125.046 122.820 0.153 0.000 1.971 535 A HA -0.161 4.159 4.320 0.000 0.000 0.222 535 A C 2.532 180.225 177.584 0.181 0.000 1.182 535 A CA 2.542 54.667 52.037 0.145 0.000 0.649 535 A CB -2.006 17.055 19.000 0.101 0.000 0.818 535 A HN 1.064 nan 8.150 nan 0.000 0.458 536 T N -1.459 113.251 114.554 0.259 0.000 3.163 536 T HA 0.004 4.354 4.350 0.000 0.000 0.260 536 T C 1.475 176.266 174.700 0.152 0.000 1.156 536 T CA 1.170 63.412 62.100 0.237 0.000 1.072 536 T CB -0.734 68.322 68.868 0.314 0.000 0.937 536 T HN 0.591 nan 8.240 nan 0.000 0.528 537 S N 1.376 117.231 115.700 0.259 0.000 2.469 537 S HA 0.100 4.570 4.470 0.000 0.000 0.238 537 S C 2.349 176.886 174.600 -0.105 0.000 0.998 537 S CA 0.494 58.748 58.200 0.090 0.000 0.957 537 S CB -0.620 62.784 63.200 0.341 0.000 0.764 537 S HN 0.737 nan 8.310 nan 0.000 0.514 538 A N 3.260 126.056 122.820 -0.041 0.000 1.858 538 A HA 0.000 4.320 4.320 0.000 0.000 0.216 538 A C 2.271 179.794 177.584 -0.103 0.000 1.190 538 A CA 1.514 53.521 52.037 -0.051 0.000 0.617 538 A CB -0.921 18.069 19.000 -0.016 0.000 0.827 538 A HN 0.709 nan 8.150 nan 0.000 0.443 539 I N -1.813 118.681 120.570 -0.126 0.000 2.286 539 I HA -0.132 4.038 4.170 0.000 0.000 0.248 539 I C 1.895 177.872 176.117 -0.235 0.000 1.115 539 I CA 1.643 62.850 61.300 -0.155 0.000 1.392 539 I CB -0.812 37.117 38.000 -0.118 0.000 1.065 539 I HN 0.076 nan 8.210 nan 0.000 0.418 540 V N 1.532 121.210 119.914 -0.393 0.000 2.453 540 V HA -0.172 3.948 4.120 0.000 0.000 0.247 540 V C 2.733 178.611 176.094 -0.361 0.000 1.048 540 V CA 2.045 64.021 62.300 -0.539 0.000 1.049 540 V CB -0.796 30.323 31.823 -1.173 0.000 0.672 540 V HN 0.448 nan 8.190 nan 0.000 0.457 541 S N -0.006 115.542 115.700 -0.254 0.000 2.382 541 S HA -0.208 4.262 4.470 0.000 0.000 0.228 541 S C 2.133 176.681 174.600 -0.087 0.000 1.027 541 S CA 1.463 59.593 58.200 -0.117 0.000 0.991 541 S CB -0.337 62.825 63.200 -0.063 0.000 0.823 541 S HN 0.415 nan 8.310 nan 0.000 0.469 542 R N 1.402 121.844 120.500 -0.096 0.000 2.075 542 R HA 0.161 4.501 4.340 0.000 0.000 0.232 542 R C 2.079 178.336 176.300 -0.073 0.000 1.126 542 R CA 1.109 57.166 56.100 -0.072 0.000 0.963 542 R CB -0.918 29.340 30.300 -0.070 0.000 0.858 542 R HN 0.383 nan 8.270 nan 0.000 0.435 543 L N -0.461 120.697 121.223 -0.109 0.000 2.046 543 L HA -0.161 4.179 4.340 0.000 0.000 0.208 543 L C 2.320 179.150 176.870 -0.068 0.000 1.077 543 L CA 1.485 56.267 54.840 -0.098 0.000 0.747 543 L CB -0.523 41.443 42.059 -0.155 0.000 0.896 543 L HN 0.293 nan 8.230 nan 0.000 0.432 544 A N -0.577 122.172 122.820 -0.117 0.000 1.902 544 A HA -0.153 4.167 4.320 0.000 0.000 0.217 544 A C 2.192 179.766 177.584 -0.018 0.000 1.181 544 A CA 1.937 53.919 52.037 -0.093 0.000 0.623 544 A CB -0.704 18.203 19.000 -0.154 0.000 0.818 544 A HN 0.261 nan 8.150 nan 0.000 0.443 545 V N -0.432 119.470 119.914 -0.020 0.000 2.488 545 V HA -0.239 3.881 4.120 0.000 0.000 0.246 545 V C 2.415 178.498 176.094 -0.019 0.000 1.046 545 V CA 1.756 64.049 62.300 -0.012 0.000 1.053 545 V CB -1.073 30.746 31.823 -0.007 0.000 0.679 545 V HN 0.599 nan 8.190 nan 0.000 0.458 546 Q N -0.181 119.611 119.800 -0.012 0.000 2.181 546 Q HA -0.242 4.098 4.340 0.000 0.000 0.205 546 Q C 1.944 177.944 176.000 -0.000 0.000 0.980 546 Q CA 1.629 57.428 55.803 -0.006 0.000 0.862 546 Q CB -0.305 28.432 28.738 -0.002 0.000 0.905 546 Q HN 0.687 nan 8.270 nan 0.000 0.429 547 H N 0.870 119.912 119.070 -0.047 0.000 2.611 547 H HA 0.093 4.649 4.556 0.000 0.000 0.283 547 H C -0.177 175.135 175.328 -0.027 0.000 1.075 547 H CA 0.426 56.450 56.048 -0.041 0.000 1.184 547 H CB -0.263 29.464 29.762 -0.057 0.000 1.294 547 H HN -0.158 nan 8.280 nan 0.000 0.619 548 K N 0.875 121.129 120.400 -0.244 0.000 2.502 548 K HA 0.128 4.448 4.320 0.000 0.000 0.244 548 K C -0.768 175.717 176.600 -0.191 0.000 1.249 548 K CA -0.269 55.883 56.287 -0.224 0.000 1.193 548 K CB -0.864 31.572 32.500 -0.107 0.000 1.674 548 K HN 0.150 nan 8.250 nan 0.000 0.302 549 L N 1.699 122.745 121.223 -0.294 0.000 2.395 549 L HA 0.176 4.516 4.340 0.000 0.000 0.268 549 L C 0.113 176.911 176.870 -0.120 0.000 1.223 549 L CA 0.239 54.974 54.840 -0.174 0.000 1.093 549 L CB 0.211 42.185 42.059 -0.142 0.000 1.349 549 L HN 0.269 nan 8.230 nan 0.000 0.427 550 S N 1.109 116.759 115.700 -0.084 0.000 2.489 550 S HA 0.677 5.147 4.470 0.000 0.000 0.291 550 S C 0.042 174.621 174.600 -0.035 0.000 1.151 550 S CA -0.584 57.583 58.200 -0.055 0.000 1.082 550 S CB 1.174 64.348 63.200 -0.043 0.000 1.019 550 S HN 0.550 nan 8.310 nan 0.000 0.492 551 Q N 1.328 121.114 119.800 -0.024 0.000 3.182 551 Q HA 0.559 4.899 4.340 0.000 0.000 0.212 551 Q C -0.564 175.429 176.000 -0.012 0.000 1.099 551 Q CA -0.672 55.121 55.803 -0.016 0.000 0.680 551 Q CB 0.030 28.761 28.738 -0.011 0.000 3.554 551 Q HN 0.620 nan 8.270 nan 0.000 0.361 552 V N -1.193 118.716 119.914 -0.008 0.000 2.427 552 V HA 0.852 4.972 4.120 0.000 0.000 0.286 552 V C 0.589 176.682 176.094 -0.003 0.000 1.034 552 V CA 0.408 62.705 62.300 -0.005 0.000 0.893 552 V CB 0.191 32.012 31.823 -0.004 0.000 0.982 552 V HN 0.913 nan 8.190 nan 0.000 0.452 553 G N 3.386 112.185 108.800 -0.002 0.000 2.652 553 G HA2 -0.292 3.668 3.960 0.000 0.000 0.278 553 G HA3 -0.292 3.668 3.960 0.000 0.000 0.278 553 G C 0.367 175.268 174.900 0.001 0.000 1.263 553 G CA 0.558 45.658 45.100 0.000 0.000 0.966 553 G HN 1.345 nan 8.290 nan 0.000 0.544 554 Q N 2.291 122.093 119.800 0.003 0.000 2.452 554 Q HA 0.548 4.888 4.340 0.000 0.000 0.230 554 Q C 0.787 176.788 176.000 0.003 0.000 1.180 554 Q CA 0.470 56.276 55.803 0.005 0.000 0.914 554 Q CB -0.049 28.694 28.738 0.007 0.000 1.408 554 Q HN 1.133 nan 8.270 nan 0.000 0.520 555 A N 2.968 125.787 122.820 -0.002 0.000 2.346 555 A HA 0.079 4.399 4.320 0.000 0.000 0.255 555 A C 0.323 177.907 177.584 0.001 0.000 1.113 555 A CA -0.023 52.009 52.037 -0.009 0.000 0.798 555 A CB 0.306 19.294 19.000 -0.021 0.000 1.073 555 A HN 0.770 nan 8.150 nan 0.000 0.502 556 S N 1.415 117.112 115.700 -0.004 0.000 3.106 556 S HA 0.124 4.594 4.470 0.000 0.000 0.363 556 S C -1.796 172.835 174.600 0.052 0.000 1.191 556 S CA -0.464 57.753 58.200 0.028 0.000 1.191 556 S CB -0.337 62.882 63.200 0.031 0.000 0.884 556 S HN 0.478 nan 8.310 nan 0.000 0.526 557 P HA 0.195 nan 4.420 nan 0.000 0.225 557 P C -0.894 176.449 177.300 0.072 0.000 1.830 557 P CA -0.497 62.637 63.100 0.057 0.000 1.051 557 P CB -0.239 31.484 31.700 0.038 0.000 1.929 558 T N 2.951 117.569 114.554 0.108 0.000 2.875 558 T HA 0.277 4.627 4.350 0.000 0.000 0.307 558 T C -2.261 172.493 174.700 0.090 0.000 1.013 558 T CA -1.584 60.587 62.100 0.117 0.000 0.970 558 T CB -0.216 68.794 68.868 0.238 0.000 0.986 558 T HN 0.162 nan 8.240 nan 0.000 0.536 559 P HA 0.131 nan 4.420 nan 0.000 0.258 559 P C -2.289 175.069 177.300 0.096 0.000 1.187 559 P CA -0.995 62.149 63.100 0.074 0.000 0.767 559 P CB -0.562 31.172 31.700 0.058 0.000 0.770 560 P HA -0.173 nan 4.420 nan 0.000 0.265 560 P C 0.245 177.642 177.300 0.162 0.000 1.151 560 P CA 0.674 63.907 63.100 0.222 0.000 0.755 560 P CB 0.366 32.286 31.700 0.366 0.000 0.756 561 D N 1.328 121.650 120.400 -0.130 0.000 2.347 561 D HA -0.228 4.412 4.640 0.000 0.000 0.208 561 D C 1.243 177.270 176.300 -0.455 0.000 0.994 561 D CA 1.573 55.311 54.000 -0.436 0.000 0.924 561 D CB -0.591 39.863 40.800 -0.577 0.000 0.892 561 D HN 0.548 nan 8.370 nan 0.000 0.471 562 Y N -0.076 120.336 120.300 0.187 0.000 2.242 562 Y HA -0.027 4.523 4.550 0.000 0.000 0.291 562 Y C -0.391 175.720 175.900 0.351 0.000 1.137 562 Y CA 0.494 58.801 58.100 0.344 0.000 1.181 562 Y CB -1.693 36.932 38.460 0.276 0.000 0.989 562 Y HN 0.225 nan 8.280 nan 0.000 0.527 563 P HA -0.053 nan 4.420 nan 0.000 0.212 563 P C 1.664 179.058 177.300 0.157 0.000 1.171 563 P CA 1.143 64.353 63.100 0.183 0.000 0.892 563 P CB -0.027 31.740 31.700 0.111 0.000 0.769 564 L N -0.909 120.359 121.223 0.076 0.000 1.957 564 L HA -0.246 4.094 4.340 0.000 0.000 0.228 564 L C 2.696 179.557 176.870 -0.015 0.000 1.086 564 L CA 1.760 56.607 54.840 0.012 0.000 0.796 564 L CB -1.670 40.370 42.059 -0.031 0.000 0.900 564 L HN -0.093 nan 8.230 nan 0.000 0.439 565 L N -1.729 119.448 121.223 -0.077 0.000 2.141 565 L HA -0.197 4.143 4.340 0.000 0.000 0.209 565 L C 2.272 179.069 176.870 -0.122 0.000 1.094 565 L CA 1.407 56.165 54.840 -0.136 0.000 0.763 565 L CB -0.764 41.164 42.059 -0.217 0.000 0.908 565 L HN 0.377 nan 8.230 nan 0.000 0.437 566 W N 1.206 122.457 121.300 -0.082 0.000 2.335 566 W HA -0.213 4.447 4.660 0.000 0.000 0.311 566 W C 2.706 179.215 176.519 -0.017 0.000 1.213 566 W CA 1.730 59.055 57.345 -0.034 0.000 1.274 566 W CB -0.401 29.057 29.460 -0.004 0.000 1.148 566 W HN 0.149 nan 8.180 nan 0.000 0.498 567 R N -0.485 120.150 120.500 0.225 0.000 2.075 567 R HA -0.110 4.230 4.340 0.000 0.000 0.232 567 R C 2.280 178.623 176.300 0.072 0.000 1.126 567 R CA 1.544 57.732 56.100 0.147 0.000 0.963 567 R CB -0.541 29.820 30.300 0.101 0.000 0.858 567 R HN 0.093 nan 8.270 nan 0.000 0.435 568 R N 0.699 121.214 120.500 0.025 0.000 2.091 568 R HA -0.111 4.229 4.340 0.000 0.000 0.238 568 R C 2.300 178.592 176.300 -0.013 0.000 1.136 568 R CA 1.646 57.741 56.100 -0.008 0.000 0.959 568 R CB -0.448 29.827 30.300 -0.042 0.000 0.856 568 R HN 0.218 nan 8.270 nan 0.000 0.437 569 A N 1.144 123.941 122.820 -0.039 0.000 1.968 569 A HA -0.146 4.174 4.320 0.000 0.000 0.217 569 A C 2.052 179.636 177.584 0.001 0.000 1.169 569 A CA 1.347 53.347 52.037 -0.061 0.000 0.638 569 A CB -0.246 18.648 19.000 -0.176 0.000 0.812 569 A HN 0.155 nan 8.150 nan 0.000 0.446 570 K N 0.242 120.679 120.400 0.062 0.000 2.026 570 K HA -0.134 4.186 4.320 0.000 0.000 0.208 570 K C 2.095 178.736 176.600 0.068 0.000 1.048 570 K CA 1.734 58.078 56.287 0.095 0.000 0.929 570 K CB -0.316 32.268 32.500 0.140 0.000 0.713 570 K HN 0.419 nan 8.250 nan 0.000 0.439 571 R N -0.282 120.250 120.500 0.053 0.000 2.133 571 R HA -0.206 4.134 4.340 0.000 0.000 0.245 571 R C 2.364 178.688 176.300 0.039 0.000 1.137 571 R CA 1.908 58.032 56.100 0.039 0.000 0.947 571 R CB -0.683 29.633 30.300 0.027 0.000 0.865 571 R HN 0.371 nan 8.270 nan 0.000 0.437 572 A N 0.664 123.507 122.820 0.038 0.000 1.968 572 A HA -0.020 4.300 4.320 0.000 0.000 0.217 572 A C 2.336 179.978 177.584 0.097 0.000 1.169 572 A CA 1.368 53.437 52.037 0.052 0.000 0.638 572 A CB -0.586 18.432 19.000 0.031 0.000 0.812 572 A HN 0.430 nan 8.150 nan 0.000 0.446 573 A N -0.529 122.348 122.820 0.095 0.000 1.892 573 A HA -0.197 4.123 4.320 0.000 0.000 0.218 573 A C 2.479 180.155 177.584 0.152 0.000 1.188 573 A CA 2.347 54.476 52.037 0.152 0.000 0.631 573 A CB -1.134 17.935 19.000 0.115 0.000 0.822 573 A HN 0.515 nan 8.150 nan 0.000 0.447 574 S N -1.356 114.395 115.700 0.084 0.000 2.353 574 S HA -0.219 4.251 4.470 0.000 0.000 0.222 574 S C 2.040 176.644 174.600 0.007 0.000 1.035 574 S CA 2.146 60.369 58.200 0.039 0.000 1.025 574 S CB -0.386 62.834 63.200 0.034 0.000 0.902 574 S HN 0.405 nan 8.310 nan 0.000 0.440 575 M N 0.571 120.186 119.600 0.025 0.000 2.082 575 M HA -0.019 4.461 4.480 0.000 0.000 0.258 575 M C 1.736 178.028 176.300 -0.013 0.000 1.069 575 M CA 1.380 56.687 55.300 0.011 0.000 1.102 575 M CB -1.134 31.488 32.600 0.038 0.000 1.336 575 M HN 0.485 nan 8.290 nan 0.000 0.404 576 F N 0.227 120.181 119.950 0.006 0.000 2.091 576 F HA -0.208 4.319 4.527 0.000 0.000 0.299 576 F C 2.083 177.890 175.800 0.012 0.000 1.103 576 F CA 1.517 59.522 58.000 0.009 0.000 1.228 576 F CB -0.731 38.275 39.000 0.010 0.000 0.984 576 F HN -0.046 nan 8.300 nan 0.000 0.477 577 V N 0.541 120.145 119.914 -0.516 0.000 2.287 577 V HA -0.329 3.791 4.120 0.000 0.000 0.248 577 V C 2.685 178.598 176.094 -0.302 0.000 1.053 577 V CA 2.169 64.221 62.300 -0.413 0.000 1.027 577 V CB -1.509 30.237 31.823 -0.128 0.000 0.646 577 V HN 0.572 nan 8.190 nan 0.000 0.447 578 S N -0.205 115.380 115.700 -0.193 0.000 2.419 578 S HA -0.149 4.321 4.470 0.000 0.000 0.235 578 S C 1.031 175.549 174.600 -0.137 0.000 1.019 578 S CA 1.481 59.601 58.200 -0.133 0.000 0.982 578 S CB -0.288 62.865 63.200 -0.079 0.000 0.789 578 S HN 0.617 nan 8.310 nan 0.000 0.490 579 N N 0.607 119.196 118.700 -0.184 0.000 2.629 579 N HA 0.338 5.078 4.740 0.000 0.000 0.277 579 N C -2.903 172.475 175.510 -0.220 0.000 1.188 579 N CA -1.633 51.320 53.050 -0.162 0.000 0.835 579 N CB 1.776 40.215 38.487 -0.080 0.000 1.420 579 N HN -0.178 nan 8.380 nan 0.000 0.542 580 P HA -0.167 nan 4.420 nan 0.000 0.217 580 P C 1.401 178.762 177.300 0.103 0.000 1.148 580 P CA 1.512 64.495 63.100 -0.194 0.000 0.828 580 P CB 0.257 31.903 31.700 -0.089 0.000 0.783 581 S N -0.598 115.126 115.700 0.041 0.000 2.419 581 S HA -0.176 4.294 4.470 0.000 0.000 0.235 581 S C 1.885 176.532 174.600 0.077 0.000 1.019 581 S CA 1.098 59.336 58.200 0.063 0.000 0.982 581 S CB -1.803 61.414 63.200 0.029 0.000 0.789 581 S HN 0.101 nan 8.310 nan 0.000 0.490 582 L N 1.302 122.570 121.223 0.075 0.000 2.197 582 L HA -0.184 4.156 4.340 0.000 0.000 0.215 582 L C 3.053 179.991 176.870 0.113 0.000 1.095 582 L CA 1.118 56.008 54.840 0.084 0.000 0.764 582 L CB -0.895 41.209 42.059 0.074 0.000 0.897 582 L HN 0.510 nan 8.230 nan 0.000 0.436 583 A N -0.100 122.828 122.820 0.180 0.000 1.972 583 A HA -0.126 4.194 4.320 0.000 0.000 0.219 583 A C 2.139 179.762 177.584 0.066 0.000 1.169 583 A CA 1.473 53.591 52.037 0.134 0.000 0.635 583 A CB -0.447 18.642 19.000 0.148 0.000 0.810 583 A HN 0.450 nan 8.150 nan 0.000 0.446 584 L N -1.146 120.117 121.223 0.066 0.000 2.529 584 L HA 0.080 4.420 4.340 0.000 0.000 0.223 584 L C 0.578 177.460 176.870 0.020 0.000 1.113 584 L CA 0.008 54.867 54.840 0.033 0.000 0.861 584 L CB -0.034 42.041 42.059 0.028 0.000 1.012 584 L HN 0.332 nan 8.230 nan 0.000 0.461 585 Q N 0.860 120.678 119.800 0.030 0.000 2.314 585 Q HA 0.221 4.561 4.340 0.000 0.000 0.257 585 Q C -0.211 175.799 176.000 0.016 0.000 0.975 585 Q CA -0.422 55.393 55.803 0.020 0.000 0.933 585 Q CB 2.158 30.908 28.738 0.021 0.000 1.195 585 Q HN -0.065 nan 8.270 nan 0.000 0.426 586 V N 3.273 123.191 119.914 0.007 0.000 2.832 586 V HA -0.084 4.036 4.120 0.000 0.000 0.299 586 V C 1.142 177.239 176.094 0.006 0.000 1.201 586 V CA 2.360 64.662 62.300 0.004 0.000 1.325 586 V CB -0.004 31.819 31.823 -0.001 0.000 0.871 586 V HN 1.088 nan 8.190 nan 0.000 0.509 587 G N 5.460 114.263 108.800 0.005 0.000 2.212 587 G HA2 -0.175 3.785 3.960 0.000 0.000 0.255 587 G HA3 -0.175 3.785 3.960 0.000 0.000 0.255 587 G C -0.304 174.601 174.900 0.007 0.000 1.062 587 G CA 0.019 45.121 45.100 0.004 0.000 0.815 587 G HN 0.653 nan 8.290 nan 0.000 0.497 588 I N 0.137 120.713 120.570 0.011 0.000 2.321 588 I HA 0.225 4.395 4.170 0.000 0.000 0.291 588 I C -0.382 175.740 176.117 0.010 0.000 0.998 588 I CA -2.259 59.051 61.300 0.016 0.000 1.227 588 I CB 1.119 39.137 38.000 0.029 0.000 1.368 588 I HN -0.125 nan 8.210 nan 0.000 0.466 589 P HA -0.244 nan 4.420 nan 0.000 0.212 589 P C 1.510 178.806 177.300 -0.005 0.000 1.128 589 P CA 1.949 65.048 63.100 -0.001 0.000 0.961 589 P CB 0.205 31.902 31.700 -0.005 0.000 0.782 590 V N -5.084 114.825 119.914 -0.008 0.000 3.523 590 V HA 0.133 4.253 4.120 0.000 0.000 0.255 590 V C 2.068 178.151 176.094 -0.018 0.000 1.226 590 V CA 0.570 62.859 62.300 -0.017 0.000 1.092 590 V CB -1.257 30.547 31.823 -0.031 0.000 0.817 590 V HN -0.028 nan 8.190 nan 0.000 0.458 591 L N 2.061 123.280 121.223 -0.006 0.000 2.201 591 L HA -0.080 4.260 4.340 0.000 0.000 0.212 591 L C 2.925 179.788 176.870 -0.012 0.000 1.105 591 L CA 1.833 56.667 54.840 -0.010 0.000 0.775 591 L CB -1.153 40.916 42.059 0.017 0.000 0.913 591 L HN 0.588 nan 8.230 nan 0.000 0.440 592 T N -3.107 111.445 114.554 -0.002 0.000 2.795 592 T HA -0.305 4.045 4.350 0.000 0.000 0.266 592 T C 1.269 175.963 174.700 -0.010 0.000 1.056 592 T CA 0.995 63.093 62.100 -0.003 0.000 1.141 592 T CB -0.363 68.505 68.868 -0.000 0.000 0.840 592 T HN 0.164 nan 8.240 nan 0.000 0.493 593 Q N 2.185 121.975 119.800 -0.016 0.000 2.423 593 Q HA 0.258 4.598 4.340 0.000 0.000 0.235 593 Q C 1.431 177.412 176.000 -0.032 0.000 1.100 593 Q CA 0.200 55.990 55.803 -0.021 0.000 0.908 593 Q CB 1.063 29.789 28.738 -0.020 0.000 1.312 593 Q HN 0.665 nan 8.270 nan 0.000 0.497 594 S N 1.627 117.312 115.700 -0.025 0.000 2.423 594 S HA -0.198 4.272 4.470 0.000 0.000 0.238 594 S C 1.687 176.265 174.600 -0.036 0.000 1.028 594 S CA 1.261 59.443 58.200 -0.030 0.000 1.000 594 S CB -0.320 62.871 63.200 -0.014 0.000 0.797 594 S HN 0.698 nan 8.310 nan 0.000 0.487 595 G N 2.092 110.873 108.800 -0.031 0.000 2.491 595 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 595 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 595 G C 1.501 176.373 174.900 -0.047 0.000 1.180 595 G CA 1.295 46.375 45.100 -0.033 0.000 0.774 595 G HN 0.582 nan 8.290 nan 0.000 0.562 596 M N -0.547 119.020 119.600 -0.056 0.000 2.279 596 M HA 0.047 4.527 4.480 0.000 0.000 0.264 596 M C 2.409 178.651 176.300 -0.097 0.000 1.062 596 M CA 0.734 55.990 55.300 -0.074 0.000 1.099 596 M CB -0.208 32.348 32.600 -0.074 0.000 1.394 596 M HN 0.215 nan 8.290 nan 0.000 0.426 597 L N -0.348 120.813 121.223 -0.103 0.000 2.162 597 L HA -0.009 4.331 4.340 0.000 0.000 0.205 597 L C 2.462 179.267 176.870 -0.107 0.000 1.086 597 L CA 1.445 56.195 54.840 -0.149 0.000 0.778 597 L CB -0.344 41.617 42.059 -0.164 0.000 0.928 597 L HN 0.131 nan 8.230 nan 0.000 0.446 598 S N -0.055 115.606 115.700 -0.065 0.000 2.370 598 S HA -0.225 4.245 4.470 0.000 0.000 0.226 598 S C 2.147 176.723 174.600 -0.039 0.000 1.033 598 S CA 1.180 59.356 58.200 -0.040 0.000 1.011 598 S CB -0.724 62.461 63.200 -0.025 0.000 0.852 598 S HN 0.572 nan 8.310 nan 0.000 0.457 599 A N 1.390 124.183 122.820 -0.046 0.000 1.940 599 A HA -0.046 4.274 4.320 0.000 0.000 0.219 599 A C 2.147 179.706 177.584 -0.041 0.000 1.176 599 A CA 1.307 53.319 52.037 -0.041 0.000 0.631 599 A CB -0.726 18.244 19.000 -0.050 0.000 0.814 599 A HN 0.464 nan 8.150 nan 0.000 0.446 600 L N -0.823 120.363 121.223 -0.062 0.000 2.005 600 L HA -0.146 4.194 4.340 0.000 0.000 0.207 600 L C 2.738 179.586 176.870 -0.037 0.000 1.072 600 L CA 2.084 56.889 54.840 -0.057 0.000 0.744 600 L CB -0.632 41.364 42.059 -0.106 0.000 0.895 600 L HN 0.426 nan 8.230 nan 0.000 0.433 601 T N -0.250 114.274 114.554 -0.051 0.000 2.597 601 T HA -0.257 4.093 4.350 0.000 0.000 0.267 601 T C 2.000 176.696 174.700 -0.006 0.000 1.053 601 T CA 2.123 64.208 62.100 -0.025 0.000 1.165 601 T CB -0.563 68.288 68.868 -0.029 0.000 0.863 601 T HN 0.658 nan 8.240 nan 0.000 0.427 602 S N 1.576 117.271 115.700 -0.009 0.000 2.343 602 S HA -0.054 4.416 4.470 0.000 0.000 0.219 602 S C 2.455 177.058 174.600 0.004 0.000 1.033 602 S CA 1.363 59.562 58.200 -0.002 0.000 1.014 602 S CB -1.534 61.664 63.200 -0.003 0.000 0.915 602 S HN 0.573 nan 8.310 nan 0.000 0.435 603 G N 1.560 110.361 108.800 0.002 0.000 2.606 603 G HA2 -0.278 3.682 3.960 0.000 0.000 0.221 603 G HA3 -0.278 3.682 3.960 0.000 0.000 0.221 603 G C 1.511 176.424 174.900 0.022 0.000 1.152 603 G CA 1.262 46.369 45.100 0.011 0.000 0.765 603 G HN 0.510 nan 8.290 nan 0.000 0.595 604 V N 1.392 121.320 119.914 0.022 0.000 2.324 604 V HA -0.104 4.016 4.120 0.000 0.000 0.250 604 V C 2.990 179.101 176.094 0.028 0.000 1.060 604 V CA 2.815 65.134 62.300 0.032 0.000 1.042 604 V CB -0.876 30.970 31.823 0.038 0.000 0.650 604 V HN 0.457 nan 8.190 nan 0.000 0.450 605 G N -0.745 108.068 108.800 0.021 0.000 2.421 605 G HA2 -0.310 3.650 3.960 0.000 0.000 0.216 605 G HA3 -0.310 3.650 3.960 0.000 0.000 0.216 605 G C 1.722 176.632 174.900 0.017 0.000 1.171 605 G CA 1.738 46.848 45.100 0.017 0.000 0.775 605 G HN 0.607 nan 8.290 nan 0.000 0.543 606 T N 0.272 114.837 114.554 0.018 0.000 2.665 606 T HA -0.082 4.268 4.350 0.000 0.000 0.268 606 T C 2.572 177.287 174.700 0.025 0.000 1.035 606 T CA 2.145 64.257 62.100 0.020 0.000 1.151 606 T CB -0.673 68.208 68.868 0.021 0.000 0.862 606 T HN 0.436 nan 8.240 nan 0.000 0.438 607 A N 1.504 124.342 122.820 0.030 0.000 1.940 607 A HA 0.088 4.409 4.320 0.000 0.000 0.219 607 A C 2.452 180.055 177.584 0.031 0.000 1.176 607 A CA 1.541 53.600 52.037 0.036 0.000 0.631 607 A CB -0.887 18.140 19.000 0.045 0.000 0.814 607 A HN 0.573 nan 8.150 nan 0.000 0.446 608 L N -1.594 119.645 121.223 0.027 0.000 2.007 608 L HA -0.126 4.214 4.340 0.000 0.000 0.205 608 L C 2.662 179.543 176.870 0.017 0.000 1.073 608 L CA 1.518 56.371 54.840 0.022 0.000 0.744 608 L CB -0.591 41.480 42.059 0.020 0.000 0.898 608 L HN 0.421 nan 8.230 nan 0.000 0.435 609 R N 0.077 120.587 120.500 0.015 0.000 2.206 609 R HA -0.256 4.084 4.340 0.000 0.000 0.240 609 R C 1.537 177.844 176.300 0.013 0.000 1.117 609 R CA 2.700 58.807 56.100 0.012 0.000 0.915 609 R CB -0.543 29.764 30.300 0.012 0.000 0.888 609 R HN 0.506 nan 8.270 nan 0.000 0.432 610 T N -2.559 112.005 114.554 0.016 0.000 3.215 610 T HA 0.336 4.686 4.350 0.000 0.000 0.271 610 T C 0.351 175.063 174.700 0.019 0.000 1.012 610 T CA -0.106 62.004 62.100 0.016 0.000 0.899 610 T CB 0.955 69.833 68.868 0.016 0.000 1.089 610 T HN 0.355 nan 8.240 nan 0.000 0.552 611 G N 1.645 110.457 108.800 0.020 0.000 2.378 611 G HA2 0.413 4.373 3.960 0.000 0.000 0.255 611 G HA3 0.413 4.373 3.960 0.000 0.000 0.255 611 G C 0.207 175.117 174.900 0.018 0.000 1.270 611 G CA -0.615 44.498 45.100 0.022 0.000 0.876 611 G HN 0.504 nan 8.290 nan 0.000 0.521 612 S N 3.352 119.063 115.700 0.018 0.000 3.036 612 S HA 0.251 4.721 4.470 0.000 0.000 0.301 612 S C 0.592 175.201 174.600 0.015 0.000 1.205 612 S CA -0.764 57.445 58.200 0.015 0.000 0.999 612 S CB -0.242 62.966 63.200 0.014 0.000 1.337 612 S HN 0.712 nan 8.310 nan 0.000 0.515 613 L N 1.771 123.003 121.223 0.015 0.000 4.094 613 L HA -0.163 4.177 4.340 0.000 0.000 0.466 613 L C 1.114 177.994 176.870 0.016 0.000 0.991 613 L CA 0.336 55.185 54.840 0.015 0.000 0.821 613 L CB -1.927 40.140 42.059 0.014 0.000 1.201 613 L HN 0.800 nan 8.230 nan 0.000 0.757 614 G N 2.874 111.684 108.800 0.017 0.000 2.305 614 G HA2 0.214 4.174 3.960 0.000 0.000 0.281 614 G HA3 0.214 4.174 3.960 0.000 0.000 0.281 614 G C 0.297 175.207 174.900 0.015 0.000 1.085 614 G CA -0.249 44.861 45.100 0.017 0.000 1.211 614 G HN 0.528 nan 8.290 nan 0.000 0.421 615 K N 2.757 123.165 120.400 0.013 0.000 2.530 615 K HA 0.430 4.750 4.320 0.000 0.000 0.230 615 K C 0.729 177.335 176.600 0.009 0.000 1.002 615 K CA -0.521 55.773 56.287 0.012 0.000 1.014 615 K CB 0.703 33.211 32.500 0.012 0.000 1.286 615 K HN 0.412 nan 8.250 nan 0.000 0.480 616 G N 2.630 111.436 108.800 0.010 0.000 2.101 616 G HA2 -0.103 3.857 3.960 0.000 0.000 0.262 616 G HA3 -0.103 3.857 3.960 0.000 0.000 0.262 616 G C 1.213 176.116 174.900 0.005 0.000 1.041 616 G CA 0.157 45.261 45.100 0.007 0.000 1.002 616 G HN 0.533 nan 8.290 nan 0.000 0.403 617 V N 3.394 123.310 119.914 0.002 0.000 2.277 617 V HA -0.317 3.803 4.120 0.000 0.000 0.253 617 V C 3.198 179.293 176.094 0.001 0.000 1.067 617 V CA 3.643 65.943 62.300 0.001 0.000 1.047 617 V CB -0.825 30.997 31.823 -0.002 0.000 0.649 617 V HN 1.042 nan 8.190 nan 0.000 0.447 618 T N -1.658 112.897 114.554 0.001 0.000 2.570 618 T HA -0.340 4.010 4.350 0.000 0.000 0.266 618 T C 1.685 176.386 174.700 0.001 0.000 1.071 618 T CA 2.126 64.227 62.100 0.001 0.000 1.172 618 T CB -0.951 67.918 68.868 0.001 0.000 0.864 618 T HN 0.593 nan 8.240 nan 0.000 0.421 619 D N 1.849 122.251 120.400 0.003 0.000 2.178 619 D HA 0.028 4.668 4.640 0.000 0.000 0.201 619 D C 2.279 178.581 176.300 0.003 0.000 0.980 619 D CA 1.243 55.245 54.000 0.003 0.000 0.842 619 D CB -0.614 40.189 40.800 0.005 0.000 0.948 619 D HN 0.548 nan 8.370 nan 0.000 0.472 620 A N 0.277 123.099 122.820 0.004 0.000 1.841 620 A HA -0.210 4.110 4.320 0.000 0.000 0.216 620 A C 2.407 179.992 177.584 0.003 0.000 1.199 620 A CA 3.034 55.074 52.037 0.004 0.000 0.621 620 A CB -1.344 17.659 19.000 0.004 0.000 0.835 620 A HN 0.392 nan 8.150 nan 0.000 0.445 621 S N 0.137 115.838 115.700 0.001 0.000 2.380 621 S HA -0.284 4.186 4.470 0.000 0.000 0.229 621 S C 1.642 176.242 174.600 -0.000 0.000 1.043 621 S CA 1.932 60.132 58.200 0.001 0.000 1.038 621 S CB -0.580 62.620 63.200 -0.000 0.000 0.872 621 S HN 0.569 nan 8.310 nan 0.000 0.456 622 E N 1.369 121.569 120.200 -0.000 0.000 2.106 622 E HA 0.012 4.362 4.350 0.000 0.000 0.192 622 E C 2.113 178.712 176.600 -0.001 0.000 0.984 622 E CA 1.067 57.466 56.400 -0.001 0.000 0.806 622 E CB -0.213 29.486 29.700 -0.001 0.000 0.750 622 E HN 0.659 nan 8.360 nan 0.000 0.458 623 K N 0.324 120.724 120.400 -0.000 0.000 2.057 623 K HA -0.130 4.190 4.320 0.000 0.000 0.206 623 K C 2.135 178.735 176.600 -0.000 0.000 1.050 623 K CA 0.840 57.127 56.287 0.000 0.000 0.935 623 K CB -0.176 32.325 32.500 0.002 0.000 0.715 623 K HN 0.110 nan 8.250 nan 0.000 0.439 624 L N 1.907 123.130 121.223 0.001 0.000 2.021 624 L HA -0.255 4.085 4.340 0.000 0.000 0.215 624 L C 2.522 179.392 176.870 -0.000 0.000 1.074 624 L CA 1.839 56.680 54.840 0.001 0.000 0.760 624 L CB -0.559 41.501 42.059 0.001 0.000 0.889 624 L HN 0.154 nan 8.230 nan 0.000 0.433 625 R N -0.212 120.287 120.500 -0.001 0.000 2.070 625 R HA -0.142 4.198 4.340 0.000 0.000 0.232 625 R C 2.166 178.464 176.300 -0.004 0.000 1.138 625 R CA 1.638 57.737 56.100 -0.002 0.000 0.936 625 R CB -0.754 29.544 30.300 -0.002 0.000 0.839 625 R HN 0.552 nan 8.270 nan 0.000 0.429 626 A N 1.443 124.260 122.820 -0.005 0.000 1.940 626 A HA -0.184 4.136 4.320 0.000 0.000 0.219 626 A C 2.279 179.858 177.584 -0.009 0.000 1.176 626 A CA 1.565 53.597 52.037 -0.008 0.000 0.631 626 A CB -0.475 18.520 19.000 -0.008 0.000 0.814 626 A HN 0.407 nan 8.150 nan 0.000 0.446 627 R N -0.884 119.612 120.500 -0.005 0.000 2.096 627 R HA -0.145 4.195 4.340 0.000 0.000 0.235 627 R C 2.472 178.771 176.300 -0.002 0.000 1.127 627 R CA 1.620 57.717 56.100 -0.004 0.000 0.968 627 R CB -0.302 29.997 30.300 -0.001 0.000 0.861 627 R HN 0.694 nan 8.270 nan 0.000 0.440 628 Q N 0.131 119.930 119.800 -0.001 0.000 2.016 628 Q HA -0.133 4.207 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 2.029 57.832 55.803 0.001 0.000 0.833 628 Q CB 0.001 28.739 28.738 0.001 0.000 0.895 628 Q HN 0.381 nan 8.270 nan 0.000 0.427 629 S N 0.757 116.453 115.700 -0.007 0.000 2.400 629 S HA -0.202 4.268 4.470 0.000 0.000 0.232 629 S C 1.905 176.492 174.600 -0.022 0.000 1.025 629 S CA 1.063 59.256 58.200 -0.012 0.000 0.993 629 S CB -0.508 62.684 63.200 -0.013 0.000 0.808 629 S HN 0.293 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 -0.115 4.225 4.340 0.000 0.000 0.211 630 L C 2.678 179.529 176.870 -0.032 0.000 1.071 630 L CA 2.254 57.075 54.840 -0.031 0.000 0.749 630 L CB -1.191 40.852 42.059 -0.026 0.000 0.890 630 L HN 0.323 nan 8.230 nan 0.000 0.431 631 T N -1.017 113.532 114.554 -0.008 0.000 2.635 631 T HA -0.239 4.112 4.350 0.000 0.000 0.267 631 T C 1.900 176.597 174.700 -0.004 0.000 1.040 631 T CA 1.884 63.993 62.100 0.014 0.000 1.156 631 T CB -0.644 68.243 68.868 0.032 0.000 0.863 631 T HN 0.212 nan 8.240 nan 0.000 0.430 632 V N 2.134 122.042 119.914 -0.009 0.000 2.231 632 V HA -0.286 3.834 4.120 0.000 0.000 0.250 632 V C 2.945 179.010 176.094 -0.048 0.000 1.058 632 V CA 2.037 64.328 62.300 -0.015 0.000 1.022 632 V CB -1.446 30.373 31.823 -0.007 0.000 0.640 632 V HN 0.600 nan 8.190 nan 0.000 0.445 633 A N -0.899 121.885 122.820 -0.060 0.000 1.940 633 A HA -0.235 4.085 4.320 0.000 0.000 0.219 633 A C 2.322 179.817 177.584 -0.149 0.000 1.176 633 A CA 1.962 53.949 52.037 -0.083 0.000 0.631 633 A CB -0.476 18.476 19.000 -0.081 0.000 0.814 633 A HN 0.535 nan 8.150 nan 0.000 0.446 634 K N -0.790 119.485 120.400 -0.209 0.000 2.032 634 K HA -0.178 4.142 4.320 0.000 0.000 0.209 634 K C 2.315 178.224 176.600 -1.152 0.000 1.048 634 K CA 1.424 57.433 56.287 -0.464 0.000 0.927 634 K CB -0.245 32.112 32.500 -0.239 0.000 0.712 634 K HN 0.459 nan 8.250 nan 0.000 0.441 635 Q N 0.141 119.631 119.800 -0.516 0.000 2.029 635 Q HA -0.210 4.130 4.340 0.000 0.000 0.209 635 Q C 2.173 178.084 176.000 -0.149 0.000 0.999 635 Q CA 2.017 57.707 55.803 -0.189 0.000 0.857 635 Q CB -0.586 28.190 28.738 0.063 0.000 0.926 635 Q HN 0.357 nan 8.270 nan 0.000 0.415 636 A N 0.465 123.223 122.820 -0.104 0.000 1.948 636 A HA -0.210 4.110 4.320 0.000 0.000 0.220 636 A C 1.933 179.511 177.584 -0.009 0.000 1.177 636 A CA 1.620 53.636 52.037 -0.036 0.000 0.636 636 A CB -0.893 18.099 19.000 -0.014 0.000 0.815 636 A HN 0.420 nan 8.150 nan 0.000 0.449 637 F N 0.274 120.068 119.950 -0.261 0.000 2.069 637 F HA -0.166 4.361 4.527 0.000 0.000 0.298 637 F C 1.836 177.598 175.800 -0.064 0.000 1.113 637 F CA 1.486 59.365 58.000 -0.201 0.000 1.214 637 F CB -0.647 38.167 39.000 -0.309 0.000 0.978 637 F HN 0.205 nan 8.300 nan 0.000 0.474 638 F N 1.447 121.241 119.950 -0.260 0.000 2.126 638 F HA -0.186 4.341 4.527 0.000 0.000 0.299 638 F C 2.389 178.071 175.800 -0.195 0.000 1.096 638 F CA 1.357 59.133 58.000 -0.375 0.000 1.255 638 F CB -1.694 37.204 39.000 -0.170 0.000 0.997 638 F HN 0.042 nan 8.300 nan 0.000 0.479 639 D N -0.054 120.396 120.400 0.083 0.000 2.116 639 D HA -0.212 4.428 4.640 0.000 0.000 0.193 639 D C 2.338 178.668 176.300 0.051 0.000 0.998 639 D CA 1.421 55.458 54.000 0.062 0.000 0.836 639 D CB -0.652 40.181 40.800 0.055 0.000 0.951 639 D HN 0.293 nan 8.370 nan 0.000 0.449 640 Q N 0.718 120.544 119.800 0.043 0.000 2.061 640 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 640 Q C 2.367 178.433 176.000 0.110 0.000 0.984 640 Q CA 1.089 56.934 55.803 0.071 0.000 0.846 640 Q CB -0.451 28.337 28.738 0.082 0.000 0.902 640 Q HN 0.358 nan 8.270 nan 0.000 0.421 641 I N 0.843 121.439 120.570 0.044 0.000 2.226 641 I HA -0.215 3.955 4.170 0.000 0.000 0.245 641 I C 2.489 178.766 176.117 0.266 0.000 1.100 641 I CA 1.223 62.615 61.300 0.154 0.000 1.374 641 I CB -0.732 37.173 38.000 -0.159 0.000 1.057 641 I HN 0.336 nan 8.210 nan 0.000 0.413 642 G N 0.473 109.332 108.800 0.098 0.000 2.469 642 G HA2 -0.349 3.611 3.960 0.000 0.000 0.219 642 G HA3 -0.349 3.611 3.960 0.000 0.000 0.219 642 G C 1.807 176.750 174.900 0.072 0.000 1.150 642 G CA 1.327 46.461 45.100 0.056 0.000 0.763 642 G HN 0.519 nan 8.290 nan 0.000 0.561 643 S N 0.274 116.028 115.700 0.091 0.000 2.368 643 S HA 0.013 4.483 4.470 0.000 0.000 0.225 643 S C 2.360 177.014 174.600 0.090 0.000 1.030 643 S CA 1.325 59.575 58.200 0.083 0.000 0.999 643 S CB -0.367 62.876 63.200 0.071 0.000 0.844 643 S HN 0.266 nan 8.310 nan 0.000 0.459 644 L N -1.158 120.150 121.223 0.142 0.000 2.209 644 L HA 0.312 4.652 4.340 0.000 0.000 0.207 644 L C 1.033 177.806 176.870 -0.163 0.000 1.094 644 L CA 0.431 55.319 54.840 0.081 0.000 0.790 644 L CB 0.116 42.353 42.059 0.297 0.000 0.932 644 L HN 0.600 nan 8.230 nan 0.000 0.447 645 W N 2.335 123.297 121.300 -0.564 0.000 2.409 645 W HA 0.262 4.922 4.660 0.000 0.000 0.285 645 W C -2.536 173.833 176.519 -0.251 0.000 1.030 645 W CA -2.113 54.835 57.345 -0.663 0.000 1.330 645 W CB 1.480 30.168 29.460 -1.288 0.000 1.236 645 W HN -0.226 nan 8.180 nan 0.000 0.341 646 P HA 0.035 nan 4.420 nan 0.000 0.252 646 P C 0.821 177.683 177.300 -0.730 0.000 1.694 646 P CA 0.539 63.542 63.100 -0.163 0.000 1.163 646 P CB -0.265 31.430 31.700 -0.007 0.000 1.934 647 G N 5.058 113.098 108.800 -1.266 0.000 2.209 647 G HA2 0.072 4.032 3.960 0.000 0.000 0.271 647 G HA3 0.072 4.032 3.960 0.000 0.000 0.271 647 G C 0.532 174.970 174.900 -0.770 0.000 1.111 647 G CA -0.221 43.900 45.100 -1.631 0.000 1.092 647 G HN 0.584 nan 8.290 nan 0.000 0.416 648 K N 0.000 120.032 120.400 -0.613 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.136 56.287 -0.252 0.000 0.838 648 K CB 0.000 32.415 32.500 -0.141 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543