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 2x2h_1_B DATA FIRST_RESID 14 DATA SEQUENCE TDNPDGIDYK TYDYVGVWGF SPLSNTNWFA AGSSTPGGIT DWTATMNVNF DATA SEQUENCE DRIDNPSITV QHPVQVQVTS YNNNSYRVRF NPDGPIRDVT RGPILKQQLD DATA SEQUENCE WIRTQELSEG CDPGMTFTSE GFLTFETKDL SVIIYGNFKT RVTRKSDGKV DATA SEQUENCE IMENDEVGTA SSGNKCRGLM FVDRLYGNAI ASVNKNFRND AVKQEGFYGA DATA SEQUENCE GEVNCKYQDT YILERTGIAM TNYNYDNLNY NQWDLRPPHH DGALNPDYYI DATA SEQUENCE PMYYAAPWLI VNGCAGTSEQ YSYGWFMDNV SQSYMNTGDT TWNSGQEDLA DATA SEQUENCE YMGAQYGPFD QHFVYGAGGG MEXVVTAFSL LQGKEFENQV LNKRSVMPPK DATA SEQUENCE YVFGFFQGVF GTSSLLRAHM PAGENNISVE EIVEGYQNNN FPFEGLAVDV DATA SEQUENCE DMQDNLRVFT TKGEFWTANR VGTGGDPNNR SVFEWAHDKG LVCQTNITCF DATA SEQUENCE LRNDNEGQDY EVNQTLRERQ LYTKNDSLTG TDFGMTDDGP SDAYIGHLDY DATA SEQUENCE GGGVECDALF PDWGRPDVAE WWGNNYKKLF SIGLDFVWQD MTVPAMMPHK DATA SEQUENCE IGDDINVKPD GNWPNADDPS NGQYNWKTYH PQVLVTDMRY ENHGREPMVT DATA SEQUENCE QRNIHAYTLC ESTRKEGIVE NADTLTKFRR SYIISRGGYI GNQHFGGMWV DATA SEQUENCE GDNSTTSNYI QMMIANNINM NMSCLPLVGS DIGGFTSYDN ENQRTPCTGD DATA SEQUENCE LMVRYVQAGC LLPWFRNHYD RWIESKDHGK DYQELYMYPN EMDTLRKFVE DATA SEQUENCE FRYRWQEVLY TAMYQNAAFG KPIIKAASMY NNDSNVRRAQ NDHFLLGGHD DATA SEQUENCE GYRILCAPVV WENSTERELY LPVLTQWYKF GPDFDTKPLE GAMNGGDRIY DATA SEQUENCE NYPVPQSESP IFVREGAILP TRYTLNGENK SLNTYTDEDP LVFEVFPLGN DATA SEQUENCE NRADGMCYLD DGGVTTNAED NGKFSVVKVA AEQDGGTETI TFTNDCYEYV DATA SEQUENCE FGGPFYVRVR GAQSPSNIHV SSGAGSQDMK VSSATSRAAL FNDGENGDFW DATA SEQUENCE VDQETDSLWL KLPNVVLPDA VITIT 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 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.648 174.700 -0.087 0.000 1.109 14 T CA 0.000 62.051 62.100 -0.082 0.000 1.349 14 T CB 0.000 68.837 68.868 -0.051 0.000 0.612 15 D N 3.313 123.687 120.400 -0.043 0.000 2.401 15 D HA 0.377 5.018 4.640 0.002 0.000 0.254 15 D C 0.490 176.790 176.300 -0.000 0.000 1.192 15 D CA 0.713 54.701 54.000 -0.020 0.000 0.885 15 D CB 0.172 40.974 40.800 0.003 0.000 1.147 15 D HN 0.416 nan 8.370 nan 0.000 0.478 16 N N 3.162 121.873 118.700 0.018 0.000 2.650 16 N HA -0.154 4.587 4.740 0.002 0.000 0.272 16 N C -1.827 173.693 175.510 0.018 0.000 1.058 16 N CA -0.026 53.071 53.050 0.078 0.000 0.765 16 N CB 0.013 38.619 38.487 0.198 0.000 0.902 16 N HN 0.263 nan 8.380 nan 0.000 0.551 17 P HA 0.025 nan 4.420 nan 0.000 0.237 17 P C 0.023 177.315 177.300 -0.013 0.000 1.178 17 P CA 0.868 63.920 63.100 -0.079 0.000 0.766 17 P CB 0.241 31.794 31.700 -0.245 0.000 0.876 18 D N -0.987 119.422 120.400 0.016 0.000 2.367 18 D HA 0.206 4.847 4.640 0.002 0.000 0.207 18 D C 1.358 177.651 176.300 -0.011 0.000 1.034 18 D CA 0.718 54.726 54.000 0.013 0.000 0.861 18 D CB -0.232 40.580 40.800 0.020 0.000 0.943 18 D HN 0.062 nan 8.370 nan 0.000 0.515 19 G N 1.145 109.942 108.800 -0.005 0.000 2.160 19 G HA2 -0.308 3.653 3.960 0.002 0.000 0.251 19 G HA3 -0.308 3.653 3.960 0.002 0.000 0.251 19 G C 0.288 175.140 174.900 -0.080 0.000 1.008 19 G CA -0.224 44.864 45.100 -0.020 0.000 0.724 19 G HN 0.332 nan 8.290 nan 0.000 0.514 20 I N 0.405 120.883 120.570 -0.153 0.000 2.752 20 I HA 0.123 4.294 4.170 0.002 0.000 0.287 20 I C 0.573 176.401 176.117 -0.481 0.000 1.188 20 I CA 0.156 61.251 61.300 -0.340 0.000 1.427 20 I CB 0.540 38.257 38.000 -0.472 0.000 1.365 20 I HN 0.147 nan 8.210 nan 0.000 0.585 21 D N 5.590 125.770 120.400 -0.367 0.000 2.373 21 D HA 0.206 4.847 4.640 0.002 0.000 0.227 21 D C -1.091 175.049 176.300 -0.266 0.000 1.091 21 D CA -0.317 53.539 54.000 -0.239 0.000 0.840 21 D CB 0.358 41.097 40.800 -0.102 0.000 1.060 21 D HN 0.128 nan 8.370 nan 0.000 0.502 22 Y N 3.834 124.182 120.300 0.080 0.000 2.624 22 Y HA 0.163 4.714 4.550 0.002 0.000 0.354 22 Y C 1.523 177.398 175.900 -0.041 0.000 1.051 22 Y CA -0.454 57.670 58.100 0.040 0.000 1.377 22 Y CB 0.833 39.242 38.460 -0.085 0.000 1.168 22 Y HN 0.230 nan 8.280 nan 0.000 0.525 23 K N 1.058 121.488 120.400 0.050 0.000 2.243 23 K HA 0.109 4.430 4.320 0.002 0.000 0.201 23 K C 0.088 176.705 176.600 0.029 0.000 1.051 23 K CA 0.525 56.828 56.287 0.026 0.000 0.970 23 K CB 0.214 32.696 32.500 -0.029 0.000 0.755 23 K HN 0.467 nan 8.250 nan 0.000 0.465 24 T N 0.112 114.653 114.554 -0.021 0.000 2.881 24 T HA 0.395 4.746 4.350 0.002 0.000 0.290 24 T C -0.203 174.494 174.700 -0.005 0.000 1.000 24 T CA -0.544 61.579 62.100 0.037 0.000 0.978 24 T CB 1.198 70.084 68.868 0.030 0.000 0.997 24 T HN -0.045 nan 8.240 nan 0.000 0.443 25 Y N -0.172 120.296 120.300 0.280 0.000 2.526 25 Y HA 0.258 4.809 4.550 0.002 0.000 0.265 25 Y C 1.007 177.080 175.900 0.288 0.000 1.092 25 Y CA -0.471 57.797 58.100 0.281 0.000 1.277 25 Y CB 0.553 39.179 38.460 0.277 0.000 1.228 25 Y HN 0.495 nan 8.280 nan 0.000 0.507 26 D N 0.072 120.724 120.400 0.419 0.000 2.339 26 D HA -0.039 4.602 4.640 0.002 0.000 0.245 26 D C -0.432 175.827 176.300 -0.069 0.000 1.115 26 D CA -0.199 54.020 54.000 0.365 0.000 0.917 26 D CB 0.476 41.557 40.800 0.468 0.000 1.192 26 D HN 0.004 nan 8.370 nan 0.000 0.428 27 Y N 1.368 121.119 120.300 -0.914 0.000 2.895 27 Y HA 0.032 4.583 4.550 0.002 0.000 0.334 27 Y C -0.601 174.850 175.900 -0.749 0.000 1.261 27 Y CA 0.202 57.507 58.100 -1.325 0.000 1.560 27 Y CB 0.190 37.222 38.460 -2.379 0.000 1.253 27 Y HN -0.038 nan 8.280 nan 0.000 0.582 28 V N 8.052 127.386 119.914 -0.967 0.000 2.350 28 V HA 0.423 4.544 4.120 0.002 0.000 0.285 28 V C 0.809 176.176 176.094 -1.211 0.000 1.014 28 V CA -0.492 61.334 62.300 -0.790 0.000 0.831 28 V CB 0.840 32.489 31.823 -0.291 0.000 1.000 28 V HN 1.099 nan 8.190 nan 0.000 0.433 29 G N 2.560 110.401 108.800 -1.599 0.000 2.716 29 G HA2 0.281 4.242 3.960 0.002 0.000 0.251 29 G HA3 0.281 4.242 3.960 0.002 0.000 0.251 29 G C 1.319 175.335 174.900 -1.473 0.000 1.224 29 G CA 0.201 44.048 45.100 -2.088 0.000 0.891 29 G HN 1.012 nan 8.290 nan 0.000 0.561 30 V N -2.791 116.334 119.914 -1.314 0.000 2.720 30 V HA -0.111 4.010 4.120 0.002 0.000 0.256 30 V C 2.042 177.883 176.094 -0.422 0.000 1.082 30 V CA 1.839 63.830 62.300 -0.516 0.000 1.101 30 V CB -1.288 30.435 31.823 -0.166 0.000 0.693 30 V HN 0.872 nan 8.190 nan 0.000 0.479 31 W N 1.455 122.483 121.300 -0.453 0.000 2.800 31 W HA 0.514 5.175 4.660 0.002 0.000 0.249 31 W C 1.879 178.283 176.519 -0.191 0.000 1.294 31 W CA 0.328 57.411 57.345 -0.436 0.000 1.402 31 W CB -0.955 27.922 29.460 -0.971 0.000 1.126 31 W HN 0.208 nan 8.180 nan 0.000 0.652 32 G N -0.838 107.815 108.800 -0.245 0.000 3.377 32 G HA2 0.172 4.133 3.960 0.002 0.000 0.257 32 G HA3 0.172 4.133 3.960 0.002 0.000 0.257 32 G C -0.910 173.930 174.900 -0.099 0.000 1.038 32 G CA -0.367 44.669 45.100 -0.107 0.000 0.809 32 G HN 0.131 nan 8.290 nan 0.000 0.526 33 F N 3.285 123.033 119.950 -0.336 0.000 2.403 33 F HA 0.546 5.074 4.527 0.002 0.000 0.355 33 F C -0.030 175.627 175.800 -0.239 0.000 1.119 33 F CA -1.391 56.366 58.000 -0.404 0.000 1.007 33 F CB 1.893 40.295 39.000 -0.996 0.000 1.194 33 F HN -0.018 nan 8.300 nan 0.000 0.443 34 S N 6.301 121.657 115.700 -0.574 0.000 2.386 34 S HA 0.291 4.762 4.470 0.002 0.000 0.152 34 S C -2.369 171.850 174.600 -0.634 0.000 1.511 34 S CA -0.961 56.967 58.200 -0.454 0.000 1.246 34 S CB 0.898 63.996 63.200 -0.170 0.000 1.338 34 S HN 0.447 nan 8.310 nan 0.000 0.409 35 P HA -0.083 nan 4.420 nan 0.000 0.218 35 P C 1.348 177.987 177.300 -1.102 0.000 1.148 35 P CA 0.718 62.843 63.100 -1.625 0.000 0.822 35 P CB -0.014 30.584 31.700 -1.838 0.000 0.784 36 L N -0.667 120.136 121.223 -0.701 0.000 2.456 36 L HA -0.053 4.288 4.340 0.002 0.000 0.224 36 L C 2.219 178.918 176.870 -0.284 0.000 1.148 36 L CA 0.875 55.475 54.840 -0.400 0.000 0.825 36 L CB -0.906 41.022 42.059 -0.218 0.000 0.937 36 L HN -0.020 nan 8.230 nan 0.000 0.450 37 S N -0.108 115.423 115.700 -0.281 0.000 2.481 37 S HA -0.072 4.400 4.470 0.002 0.000 0.231 37 S C 1.020 175.543 174.600 -0.127 0.000 0.996 37 S CA 0.529 58.635 58.200 -0.157 0.000 0.942 37 S CB -0.065 63.072 63.200 -0.104 0.000 0.768 37 S HN 0.524 nan 8.310 nan 0.000 0.520 38 N N -0.258 118.323 118.700 -0.198 0.000 2.811 38 N HA -0.154 4.587 4.740 0.002 0.000 0.211 38 N C 0.396 175.958 175.510 0.085 0.000 0.990 38 N CA 2.017 55.004 53.050 -0.104 0.000 1.362 38 N CB -1.980 36.446 38.487 -0.102 0.000 0.940 38 N HN 0.658 nan 8.380 nan 0.000 0.572 39 T N 0.156 114.743 114.554 0.055 0.000 2.853 39 T HA 0.374 4.725 4.350 0.002 0.000 0.298 39 T C 0.820 175.491 174.700 -0.049 0.000 0.978 39 T CA 0.606 62.690 62.100 -0.027 0.000 1.152 39 T CB 1.098 69.914 68.868 -0.087 0.000 0.914 39 T HN 0.337 nan 8.240 nan 0.000 0.539 40 N N 0.131 118.726 118.700 -0.174 0.000 2.909 40 N HA -0.137 4.604 4.740 0.002 0.000 0.242 40 N C -1.142 174.192 175.510 -0.293 0.000 0.975 40 N CA 1.110 53.996 53.050 -0.274 0.000 0.921 40 N CB -1.814 36.431 38.487 -0.403 0.000 1.112 40 N HN 0.855 nan 8.380 nan 0.000 0.581 41 W N 0.657 121.796 121.300 -0.268 0.000 2.391 41 W HA 0.572 5.233 4.660 0.002 0.000 0.311 41 W C 0.403 176.709 176.519 -0.354 0.000 1.087 41 W CA -0.518 56.675 57.345 -0.254 0.000 1.209 41 W CB 0.364 29.705 29.460 -0.198 0.000 1.273 41 W HN -0.128 nan 8.180 nan 0.000 0.482 42 F N 2.663 122.494 119.950 -0.199 0.000 2.399 42 F HA 0.548 5.076 4.527 0.002 0.000 0.342 42 F C 0.776 176.518 175.800 -0.097 0.000 1.106 42 F CA -0.231 57.591 58.000 -0.297 0.000 1.196 42 F CB 0.737 39.194 39.000 -0.905 0.000 1.163 42 F HN 0.351 nan 8.300 nan 0.000 0.547 43 A N 1.759 124.743 122.820 0.273 0.000 2.515 43 A HA 0.820 5.141 4.320 0.002 0.000 0.296 43 A C -1.108 176.635 177.584 0.264 0.000 1.094 43 A CA -0.766 51.438 52.037 0.279 0.000 0.718 43 A CB 0.856 19.937 19.000 0.135 0.000 1.307 43 A HN 0.940 nan 8.150 nan 0.000 0.408 44 A N -0.071 122.822 122.820 0.121 0.000 2.488 44 A HA 0.499 4.820 4.320 0.002 0.000 0.249 44 A C 1.104 178.650 177.584 -0.064 0.000 1.083 44 A CA 0.507 52.430 52.037 -0.191 0.000 0.768 44 A CB -0.162 18.668 19.000 -0.283 0.000 1.017 44 A HN 1.877 nan 8.150 nan 0.000 0.496 45 G N 0.674 109.418 108.800 -0.093 0.000 2.739 45 G HA2 0.422 4.383 3.960 0.002 0.000 0.200 45 G HA3 0.422 4.383 3.960 0.002 0.000 0.200 45 G C 0.421 175.309 174.900 -0.019 0.000 1.069 45 G CA 0.965 46.053 45.100 -0.021 0.000 0.768 45 G HN 1.643 nan 8.290 nan 0.000 0.565 46 S N -1.080 114.588 115.700 -0.053 0.000 2.655 46 S HA 0.717 5.188 4.470 0.002 0.000 0.266 46 S C -0.906 173.664 174.600 -0.050 0.000 1.149 46 S CA 0.275 58.464 58.200 -0.017 0.000 0.818 46 S CB 1.630 64.827 63.200 -0.005 0.000 1.130 46 S HN 1.292 nan 8.310 nan 0.000 0.476 47 S N -0.447 115.248 115.700 -0.009 0.000 2.615 47 S HA 0.833 5.305 4.470 0.002 0.000 0.268 47 S C -1.032 173.551 174.600 -0.029 0.000 1.146 47 S CA -0.265 57.919 58.200 -0.026 0.000 0.818 47 S CB 1.044 64.256 63.200 0.019 0.000 1.111 47 S HN 1.979 nan 8.310 nan 0.000 0.465 48 T N -1.116 113.398 114.554 -0.065 0.000 2.876 48 T HA 0.789 5.140 4.350 0.002 0.000 0.289 48 T C -3.326 171.254 174.700 -0.200 0.000 1.014 48 T CA -2.125 59.904 62.100 -0.118 0.000 0.986 48 T CB 1.167 69.973 68.868 -0.103 0.000 1.021 48 T HN 0.427 nan 8.240 nan 0.000 0.458 49 P HA 0.328 nan 4.420 nan 0.000 0.267 49 P C 0.707 177.761 177.300 -0.409 0.000 1.200 49 P CA -0.027 62.597 63.100 -0.793 0.000 0.772 49 P CB 0.339 31.258 31.700 -1.302 0.000 0.855 50 G N 0.641 109.285 108.800 -0.260 0.000 3.829 50 G HA2 0.509 4.470 3.960 0.002 0.000 0.279 50 G HA3 0.509 4.470 3.960 0.002 0.000 0.279 50 G C 0.282 175.219 174.900 0.062 0.000 1.008 50 G CA 0.211 45.284 45.100 -0.044 0.000 0.840 50 G HN 0.908 nan 8.290 nan 0.000 0.474 51 G N -0.020 108.861 108.800 0.135 0.000 2.662 51 G HA2 -0.039 3.922 3.960 0.002 0.000 0.686 51 G HA3 -0.039 3.922 3.960 0.002 0.000 0.686 51 G C -0.819 174.255 174.900 0.290 0.000 1.271 51 G CA -0.600 44.631 45.100 0.218 0.000 0.816 51 G HN 0.664 nan 8.290 nan 0.000 0.608 52 I N 1.327 122.023 120.570 0.209 0.000 2.468 52 I HA 0.505 4.676 4.170 0.002 0.000 0.284 52 I C 0.362 176.545 176.117 0.110 0.000 1.038 52 I CA -0.411 60.974 61.300 0.142 0.000 1.083 52 I CB 2.292 40.341 38.000 0.083 0.000 1.223 52 I HN 0.861 nan 8.210 nan 0.000 0.443 53 T N 1.165 115.782 114.554 0.105 0.000 2.792 53 T HA 0.426 4.777 4.350 0.002 0.000 0.280 53 T C 0.090 174.853 174.700 0.104 0.000 0.990 53 T CA -0.403 61.751 62.100 0.091 0.000 0.960 53 T CB 1.813 70.725 68.868 0.074 0.000 0.939 53 T HN 0.680 nan 8.240 nan 0.000 0.439 54 D N 1.977 122.439 120.400 0.102 0.000 3.927 54 D HA -0.206 4.435 4.640 0.002 0.000 0.142 54 D C -0.073 176.434 176.300 0.345 0.000 0.830 54 D CA 1.958 56.030 54.000 0.120 0.000 1.091 54 D CB -0.831 39.972 40.800 0.006 0.000 0.495 54 D HN 0.724 nan 8.370 nan 0.000 0.489 55 W N 1.393 122.684 121.300 -0.015 0.000 2.966 55 W HA 0.357 5.019 4.660 0.002 0.000 0.406 55 W C 0.067 176.549 176.519 -0.062 0.000 1.027 55 W CA 0.023 57.341 57.345 -0.045 0.000 1.930 55 W CB -0.102 29.342 29.460 -0.025 0.000 1.144 55 W HN -0.078 nan 8.180 nan 0.000 0.626 56 T N 1.301 115.957 114.554 0.171 0.000 2.772 56 T HA 0.669 5.020 4.350 0.002 0.000 0.288 56 T C 0.109 174.860 174.700 0.086 0.000 0.994 56 T CA -0.260 61.906 62.100 0.108 0.000 0.951 56 T CB 1.477 70.419 68.868 0.124 0.000 0.933 56 T HN -0.053 nan 8.240 nan 0.000 0.447 57 A N 3.343 126.190 122.820 0.045 0.000 2.306 57 A HA 0.729 5.050 4.320 0.002 0.000 0.314 57 A C 0.384 178.088 177.584 0.201 0.000 1.164 57 A CA -0.584 51.509 52.037 0.095 0.000 0.822 57 A CB 0.544 19.500 19.000 -0.072 0.000 1.130 57 A HN 0.671 nan 8.150 nan 0.000 0.496 58 T N 2.924 117.644 114.554 0.277 0.000 2.823 58 T HA 0.588 4.939 4.350 0.002 0.000 0.279 58 T C -0.239 174.649 174.700 0.314 0.000 0.998 58 T CA -0.089 62.163 62.100 0.253 0.000 0.994 58 T CB 0.826 69.797 68.868 0.172 0.000 0.960 58 T HN 0.592 nan 8.240 nan 0.000 0.448 59 M N 3.140 122.901 119.600 0.268 0.000 2.311 59 M HA 0.400 4.882 4.480 0.002 0.000 0.325 59 M C -0.310 176.040 176.300 0.084 0.000 1.061 59 M CA -0.898 54.524 55.300 0.204 0.000 0.957 59 M CB 1.392 34.187 32.600 0.326 0.000 1.646 59 M HN 0.338 nan 8.290 nan 0.000 0.434 60 N N 3.005 121.712 118.700 0.010 0.000 2.602 60 N HA 0.243 4.984 4.740 0.002 0.000 0.238 60 N C -1.009 174.456 175.510 -0.075 0.000 1.084 60 N CA -0.023 53.013 53.050 -0.024 0.000 0.952 60 N CB 0.620 39.085 38.487 -0.038 0.000 1.244 60 N HN 0.346 nan 8.380 nan 0.000 0.512 61 V N 2.349 122.178 119.914 -0.143 0.000 2.498 61 V HA 0.183 4.305 4.120 0.002 0.000 0.279 61 V C 0.518 176.388 176.094 -0.373 0.000 1.048 61 V CA -0.796 61.303 62.300 -0.333 0.000 0.967 61 V CB 0.999 32.431 31.823 -0.651 0.000 0.988 61 V HN 0.440 nan 8.190 nan 0.000 0.473 62 N N 4.109 122.627 118.700 -0.304 0.000 2.420 62 N HA 0.370 5.112 4.740 0.002 0.000 0.249 62 N C -0.886 174.476 175.510 -0.247 0.000 1.033 62 N CA -0.066 52.875 53.050 -0.182 0.000 0.944 62 N CB 1.008 39.449 38.487 -0.077 0.000 1.113 62 N HN 0.448 nan 8.380 nan 0.000 0.502 63 F N 1.133 121.093 119.950 0.016 0.000 2.404 63 F HA 0.247 4.775 4.527 0.002 0.000 0.345 63 F C 0.766 176.742 175.800 0.294 0.000 1.110 63 F CA -0.421 57.637 58.000 0.097 0.000 1.130 63 F CB 1.033 40.053 39.000 0.032 0.000 1.129 63 F HN 0.189 nan 8.300 nan 0.000 0.500 64 D N 2.836 123.509 120.400 0.456 0.000 2.362 64 D HA 0.235 4.876 4.640 0.002 0.000 0.247 64 D C -0.059 176.319 176.300 0.129 0.000 1.050 64 D CA -0.697 53.502 54.000 0.331 0.000 0.839 64 D CB 1.554 42.435 40.800 0.135 0.000 1.283 64 D HN 0.230 nan 8.370 nan 0.000 0.477 65 R N 1.917 122.266 120.500 -0.252 0.000 2.458 65 R HA 0.107 4.448 4.340 0.002 0.000 0.303 65 R C 1.334 177.513 176.300 -0.201 0.000 1.013 65 R CA 0.014 55.795 56.100 -0.532 0.000 1.026 65 R CB 0.513 30.459 30.300 -0.590 0.000 0.948 65 R HN 0.546 nan 8.270 nan 0.000 0.417 66 I N 2.057 122.540 120.570 -0.145 0.000 2.286 66 I HA -0.320 3.852 4.170 0.002 0.000 0.248 66 I C 1.881 177.951 176.117 -0.080 0.000 1.115 66 I CA 1.609 62.864 61.300 -0.075 0.000 1.392 66 I CB -0.235 37.733 38.000 -0.053 0.000 1.065 66 I HN 0.619 nan 8.210 nan 0.000 0.418 67 D N -0.302 120.036 120.400 -0.104 0.000 2.323 67 D HA -0.119 4.522 4.640 0.002 0.000 0.209 67 D C 0.606 176.856 176.300 -0.084 0.000 0.973 67 D CA 0.572 54.517 54.000 -0.091 0.000 0.874 67 D CB -0.163 40.574 40.800 -0.105 0.000 0.930 67 D HN 0.252 nan 8.370 nan 0.000 0.521 68 N N 0.169 118.811 118.700 -0.097 0.000 2.839 68 N HA 0.167 4.908 4.740 0.002 0.000 0.230 68 N C -2.543 172.931 175.510 -0.059 0.000 1.388 68 N CA -1.300 51.709 53.050 -0.069 0.000 0.747 68 N CB 1.686 40.135 38.487 -0.064 0.000 1.411 68 N HN -0.259 nan 8.380 nan 0.000 0.556 69 P HA -0.009 nan 4.420 nan 0.000 0.237 69 P C 1.179 178.492 177.300 0.021 0.000 1.178 69 P CA 0.664 63.760 63.100 -0.008 0.000 0.766 69 P CB 0.244 31.942 31.700 -0.004 0.000 0.876 70 S N -0.875 114.834 115.700 0.014 0.000 2.447 70 S HA -0.042 4.429 4.470 0.002 0.000 0.233 70 S C 0.902 175.535 174.600 0.054 0.000 1.006 70 S CA 0.363 58.580 58.200 0.028 0.000 0.957 70 S CB -1.110 62.100 63.200 0.017 0.000 0.773 70 S HN 0.069 nan 8.310 nan 0.000 0.507 71 I N 2.161 122.766 120.570 0.059 0.000 2.379 71 I HA 0.307 4.478 4.170 0.002 0.000 0.290 71 I C 0.222 176.489 176.117 0.251 0.000 1.063 71 I CA -0.022 61.351 61.300 0.121 0.000 1.351 71 I CB 1.115 39.161 38.000 0.076 0.000 1.410 71 I HN 0.122 nan 8.210 nan 0.000 0.505 72 T N 5.698 120.413 114.554 0.269 0.000 2.909 72 T HA 0.639 4.990 4.350 0.002 0.000 0.299 72 T C -1.278 173.527 174.700 0.175 0.000 1.073 72 T CA -0.472 61.807 62.100 0.299 0.000 0.999 72 T CB 1.917 70.878 68.868 0.156 0.000 1.098 72 T HN 0.296 nan 8.240 nan 0.000 0.477 73 V N 3.592 123.544 119.914 0.063 0.000 3.078 73 V HA 0.696 4.817 4.120 0.002 0.000 0.311 73 V C -1.211 174.846 176.094 -0.062 0.000 1.138 73 V CA -0.628 61.611 62.300 -0.102 0.000 1.007 73 V CB 2.352 34.008 31.823 -0.279 0.000 1.045 73 V HN 0.995 nan 8.190 nan 0.000 0.432 74 Q N 2.425 122.094 119.800 -0.219 0.000 2.333 74 Q HA 0.631 4.972 4.340 0.002 0.000 0.267 74 Q C -1.769 173.992 176.000 -0.399 0.000 1.012 74 Q CA -0.519 55.182 55.803 -0.170 0.000 0.824 74 Q CB 1.587 30.249 28.738 -0.127 0.000 1.290 74 Q HN 0.927 nan 8.270 nan 0.000 0.449 75 H N 2.366 121.522 119.070 0.144 0.000 2.954 75 H HA 0.358 4.915 4.556 0.002 0.000 0.361 75 H C -2.463 172.913 175.328 0.079 0.000 1.122 75 H CA -1.845 54.265 56.048 0.104 0.000 1.217 75 H CB 1.775 31.579 29.762 0.071 0.000 1.776 75 H HN 0.487 nan 8.280 nan 0.000 0.533 76 P HA 0.061 nan 4.420 nan 0.000 0.276 76 P C -0.698 176.705 177.300 0.172 0.000 1.235 76 P CA -0.190 62.992 63.100 0.136 0.000 0.772 76 P CB 1.187 32.960 31.700 0.123 0.000 0.871 77 V N 4.806 124.799 119.914 0.132 0.000 2.444 77 V HA 0.237 4.358 4.120 0.002 0.000 0.294 77 V C 0.349 176.580 176.094 0.228 0.000 1.022 77 V CA -0.524 61.872 62.300 0.161 0.000 0.850 77 V CB 1.472 33.256 31.823 -0.064 0.000 0.992 77 V HN 0.479 nan 8.190 nan 0.000 0.426 78 Q N 2.975 122.932 119.800 0.261 0.000 2.256 78 Q HA 0.615 4.956 4.340 0.002 0.000 0.254 78 Q C -1.055 175.120 176.000 0.292 0.000 0.916 78 Q CA -0.501 55.449 55.803 0.246 0.000 0.932 78 Q CB 2.424 31.285 28.738 0.204 0.000 1.207 78 Q HN 0.574 nan 8.270 nan 0.000 0.426 79 V N 3.331 123.394 119.914 0.249 0.000 2.349 79 V HA 0.233 4.354 4.120 0.002 0.000 0.284 79 V C -0.556 175.569 176.094 0.052 0.000 1.014 79 V CA -0.598 61.832 62.300 0.216 0.000 0.826 79 V CB 1.340 33.280 31.823 0.195 0.000 1.009 79 V HN 0.699 nan 8.190 nan 0.000 0.431 80 Q N 4.101 123.962 119.800 0.101 0.000 2.331 80 Q HA 0.584 4.926 4.340 0.002 0.000 0.267 80 Q C -1.295 174.750 176.000 0.075 0.000 1.006 80 Q CA -0.606 55.243 55.803 0.076 0.000 0.818 80 Q CB 2.272 31.106 28.738 0.160 0.000 1.276 80 Q HN 0.527 nan 8.270 nan 0.000 0.450 81 V N 4.409 124.296 119.914 -0.045 0.000 2.439 81 V HA 0.035 4.156 4.120 0.002 0.000 0.271 81 V C 1.337 177.644 176.094 0.355 0.000 1.040 81 V CA 0.753 63.075 62.300 0.037 0.000 1.002 81 V CB 0.643 32.304 31.823 -0.271 0.000 1.000 81 V HN 1.047 nan 8.190 nan 0.000 0.477 82 T N 0.309 115.094 114.554 0.385 0.000 3.051 82 T HA 0.119 4.470 4.350 0.002 0.000 0.255 82 T C 0.734 175.699 174.700 0.443 0.000 1.085 82 T CA 0.494 62.843 62.100 0.415 0.000 1.109 82 T CB 0.359 69.478 68.868 0.419 0.000 0.921 82 T HN 0.573 nan 8.240 nan 0.000 0.488 83 S N -0.554 115.408 115.700 0.437 0.000 2.626 83 S HA 0.406 4.877 4.470 0.002 0.000 0.275 83 S C -0.495 174.328 174.600 0.372 0.000 1.175 83 S CA -0.880 57.581 58.200 0.434 0.000 0.982 83 S CB 1.100 64.510 63.200 0.349 0.000 1.093 83 S HN 0.291 nan 8.310 nan 0.000 0.472 84 Y N 5.332 125.790 120.300 0.264 0.000 2.176 84 Y HA 0.078 4.629 4.550 0.002 0.000 0.291 84 Y C 1.843 177.838 175.900 0.158 0.000 1.122 84 Y CA 1.877 60.048 58.100 0.118 0.000 1.128 84 Y CB -0.071 38.416 38.460 0.045 0.000 1.005 84 Y HN 0.693 nan 8.280 nan 0.000 0.509 85 N N 0.356 119.258 118.700 0.337 0.000 2.309 85 N HA -0.141 4.601 4.740 0.002 0.000 0.182 85 N C 0.640 176.247 175.510 0.161 0.000 1.018 85 N CA 1.178 54.361 53.050 0.221 0.000 0.876 85 N CB -0.326 38.314 38.487 0.255 0.000 0.972 85 N HN 0.491 nan 8.380 nan 0.000 0.434 86 N N 1.217 120.039 118.700 0.204 0.000 2.230 86 N HA 0.044 4.785 4.740 0.002 0.000 0.202 86 N C -0.626 175.034 175.510 0.249 0.000 1.119 86 N CA -0.014 53.161 53.050 0.208 0.000 0.851 86 N CB 0.161 38.779 38.487 0.218 0.000 0.990 86 N HN 0.098 nan 8.380 nan 0.000 0.497 87 N N 1.278 120.115 118.700 0.228 0.000 2.696 87 N HA -0.136 4.605 4.740 0.002 0.000 0.256 87 N C -0.893 174.877 175.510 0.432 0.000 1.031 87 N CA 0.810 54.034 53.050 0.291 0.000 0.730 87 N CB -1.384 37.333 38.487 0.383 0.000 0.894 87 N HN 0.353 nan 8.380 nan 0.000 0.544 88 S N -0.535 115.416 115.700 0.418 0.000 2.548 88 S HA 0.843 5.314 4.470 0.002 0.000 0.286 88 S C -0.590 174.321 174.600 0.519 0.000 1.098 88 S CA -0.885 57.600 58.200 0.475 0.000 0.930 88 S CB 2.773 66.207 63.200 0.390 0.000 1.070 88 S HN 0.414 nan 8.310 nan 0.000 0.480 89 Y N -0.289 120.281 120.300 0.450 0.000 2.715 89 Y HA 0.820 5.371 4.550 0.002 0.000 0.331 89 Y C -0.831 175.253 175.900 0.307 0.000 1.197 89 Y CA -1.326 56.954 58.100 0.301 0.000 1.079 89 Y CB 1.241 39.821 38.460 0.199 0.000 1.298 89 Y HN 0.960 nan 8.280 nan 0.000 0.477 90 R N 1.256 121.956 120.500 0.334 0.000 2.698 90 R HA 0.791 5.132 4.340 0.002 0.000 0.275 90 R C -2.484 173.989 176.300 0.288 0.000 1.001 90 R CA -0.871 55.273 56.100 0.074 0.000 0.896 90 R CB 2.580 32.812 30.300 -0.113 0.000 1.218 90 R HN 0.747 nan 8.270 nan 0.000 0.462 91 V N 3.953 124.037 119.914 0.284 0.000 2.525 91 V HA 0.575 4.696 4.120 0.002 0.000 0.299 91 V C -0.644 175.727 176.094 0.462 0.000 1.034 91 V CA -0.768 61.812 62.300 0.466 0.000 0.863 91 V CB 1.719 33.944 31.823 0.671 0.000 0.999 91 V HN 0.771 nan 8.190 nan 0.000 0.423 92 R N 4.745 125.495 120.500 0.416 0.000 2.604 92 R HA 0.812 5.153 4.340 0.002 0.000 0.281 92 R C -1.775 174.765 176.300 0.399 0.000 1.020 92 R CA -0.441 55.880 56.100 0.367 0.000 0.899 92 R CB 2.140 32.570 30.300 0.217 0.000 1.205 92 R HN 0.687 nan 8.270 nan 0.000 0.450 93 F N 0.686 120.756 119.950 0.199 0.000 2.741 93 F HA 0.556 5.084 4.527 0.002 0.000 0.313 93 F C -1.943 173.859 175.800 0.003 0.000 1.153 93 F CA -1.137 56.898 58.000 0.058 0.000 0.931 93 F CB 1.636 40.628 39.000 -0.013 0.000 1.335 93 F HN 0.415 nan 8.300 nan 0.000 0.460 94 N N 1.705 120.435 118.700 0.051 0.000 2.558 94 N HA 0.429 5.170 4.740 0.002 0.000 0.285 94 N C -2.507 172.827 175.510 -0.294 0.000 1.112 94 N CA -2.397 50.557 53.050 -0.159 0.000 0.857 94 N CB 2.310 40.753 38.487 -0.074 0.000 1.376 94 N HN 0.422 nan 8.380 nan 0.000 0.526 95 P HA 0.107 nan 4.420 nan 0.000 0.242 95 P C -0.206 176.682 177.300 -0.687 0.000 1.197 95 P CA 0.745 63.090 63.100 -1.259 0.000 0.765 95 P CB 0.666 31.309 31.700 -1.762 0.000 0.936 96 D N -0.840 119.348 120.400 -0.353 0.000 2.417 96 D HA 0.220 4.861 4.640 0.002 0.000 0.207 96 D C 1.318 177.563 176.300 -0.091 0.000 1.075 96 D CA 0.591 54.482 54.000 -0.181 0.000 0.851 96 D CB 1.418 42.137 40.800 -0.136 0.000 0.976 96 D HN 0.206 nan 8.370 nan 0.000 0.505 97 G N 0.793 109.546 108.800 -0.078 0.000 2.348 97 G HA2 0.268 4.229 3.960 0.002 0.000 0.296 97 G HA3 0.268 4.229 3.960 0.002 0.000 0.296 97 G C -2.985 171.906 174.900 -0.014 0.000 1.258 97 G CA -0.804 44.279 45.100 -0.028 0.000 0.868 97 G HN -0.247 nan 8.290 nan 0.000 0.488 98 P HA 0.361 nan 4.420 nan 0.000 0.269 98 P C 0.013 177.300 177.300 -0.023 0.000 1.209 98 P CA -0.188 62.908 63.100 -0.007 0.000 0.776 98 P CB 0.544 32.230 31.700 -0.023 0.000 0.876 99 I N 2.765 123.344 120.570 0.015 0.000 2.598 99 I HA 0.083 4.254 4.170 0.002 0.000 0.284 99 I C 1.198 177.314 176.117 -0.002 0.000 1.140 99 I CA 0.556 61.873 61.300 0.028 0.000 1.420 99 I CB 0.041 38.090 38.000 0.080 0.000 1.387 99 I HN 0.223 nan 8.210 nan 0.000 0.553 100 R N 4.896 125.391 120.500 -0.009 0.000 2.561 100 R HA 0.284 4.625 4.340 0.002 0.000 0.297 100 R C -1.234 175.156 176.300 0.150 0.000 0.969 100 R CA -0.792 55.279 56.100 -0.048 0.000 0.879 100 R CB 1.391 31.461 30.300 -0.382 0.000 1.178 100 R HN 0.514 nan 8.270 nan 0.000 0.445 101 D N 3.509 123.995 120.400 0.143 0.000 2.348 101 D HA 0.057 4.699 4.640 0.002 0.000 0.253 101 D C 0.369 176.848 176.300 0.299 0.000 1.161 101 D CA 0.012 54.120 54.000 0.181 0.000 0.876 101 D CB 1.374 42.234 40.800 0.100 0.000 1.160 101 D HN 0.324 nan 8.370 nan 0.000 0.459 102 V N 1.161 121.178 119.914 0.171 0.000 2.763 102 V HA 0.101 4.222 4.120 0.002 0.000 0.306 102 V C 1.376 177.469 176.094 -0.002 0.000 1.059 102 V CA 0.031 62.274 62.300 -0.095 0.000 1.138 102 V CB 0.673 32.360 31.823 -0.226 0.000 0.940 102 V HN 0.685 nan 8.190 nan 0.000 0.489 103 T N 0.704 115.250 114.554 -0.014 0.000 3.060 103 T HA 0.246 4.597 4.350 0.002 0.000 0.249 103 T C 0.603 175.320 174.700 0.028 0.000 1.079 103 T CA 0.250 62.370 62.100 0.034 0.000 1.013 103 T CB -0.107 68.804 68.868 0.072 0.000 0.975 103 T HN 0.880 nan 8.240 nan 0.000 0.518 104 R N -0.212 120.276 120.500 -0.020 0.000 2.564 104 R HA 0.587 4.929 4.340 0.002 0.000 0.284 104 R C -0.871 175.415 176.300 -0.024 0.000 1.031 104 R CA -0.070 56.056 56.100 0.044 0.000 0.904 104 R CB 1.510 31.850 30.300 0.067 0.000 1.199 104 R HN 0.403 nan 8.270 nan 0.000 0.443 105 G N 3.377 112.209 108.800 0.052 0.000 2.361 105 G HA2 0.021 3.982 3.960 0.002 0.000 0.305 105 G HA3 0.021 3.982 3.960 0.002 0.000 0.305 105 G C -2.626 172.308 174.900 0.057 0.000 1.367 105 G CA -0.735 44.297 45.100 -0.113 0.000 0.951 105 G HN 0.378 nan 8.290 nan 0.000 0.615 106 P HA 0.075 nan 4.420 nan 0.000 0.217 106 P C 0.785 178.050 177.300 -0.057 0.000 1.150 106 P CA 1.000 64.074 63.100 -0.043 0.000 0.832 106 P CB 0.367 31.931 31.700 -0.226 0.000 0.787 107 I N 0.662 121.247 120.570 0.025 0.000 2.354 107 I HA 0.263 4.434 4.170 0.002 0.000 0.286 107 I C 0.080 176.225 176.117 0.047 0.000 1.007 107 I CA -0.772 60.548 61.300 0.033 0.000 1.167 107 I CB 1.332 39.384 38.000 0.088 0.000 1.320 107 I HN -0.210 nan 8.210 nan 0.000 0.458 108 L N 6.018 127.238 121.223 -0.005 0.000 2.334 108 L HA 0.409 4.751 4.340 0.002 0.000 0.273 108 L C 1.372 178.190 176.870 -0.087 0.000 1.013 108 L CA -0.685 54.121 54.840 -0.055 0.000 0.816 108 L CB 2.100 44.080 42.059 -0.132 0.000 1.278 108 L HN 0.552 nan 8.230 nan 0.000 0.431 109 K N 1.303 121.661 120.400 -0.070 0.000 2.044 109 K HA -0.248 4.073 4.320 0.002 0.000 0.210 109 K C 1.577 178.086 176.600 -0.151 0.000 1.049 109 K CA 2.092 58.345 56.287 -0.057 0.000 0.927 109 K CB 0.148 32.631 32.500 -0.027 0.000 0.713 109 K HN 0.644 nan 8.250 nan 0.000 0.443 110 Q N 0.363 119.957 119.800 -0.345 0.000 2.112 110 Q HA -0.246 4.095 4.340 0.002 0.000 0.206 110 Q C 2.134 177.842 176.000 -0.487 0.000 0.987 110 Q CA 2.126 57.596 55.803 -0.555 0.000 0.858 110 Q CB -0.237 27.794 28.738 -1.179 0.000 0.905 110 Q HN 0.370 nan 8.270 nan 0.000 0.420 111 Q N 0.437 119.929 119.800 -0.514 0.000 2.083 111 Q HA -0.046 4.295 4.340 0.002 0.000 0.198 111 Q C 1.774 177.848 176.000 0.123 0.000 0.969 111 Q CA 1.257 57.021 55.803 -0.065 0.000 0.838 111 Q CB -0.141 28.609 28.738 0.020 0.000 0.900 111 Q HN 0.451 nan 8.270 nan 0.000 0.436 112 L N 0.413 121.675 121.223 0.065 0.000 2.083 112 L HA -0.188 4.154 4.340 0.002 0.000 0.209 112 L C 1.879 178.802 176.870 0.088 0.000 1.083 112 L CA 1.267 56.181 54.840 0.123 0.000 0.752 112 L CB -0.554 41.581 42.059 0.128 0.000 0.899 112 L HN 0.227 nan 8.230 nan 0.000 0.433 113 D N -0.698 119.727 120.400 0.041 0.000 2.097 113 D HA -0.232 4.409 4.640 0.002 0.000 0.195 113 D C 1.728 178.054 176.300 0.043 0.000 0.989 113 D CA 1.139 55.142 54.000 0.006 0.000 0.827 113 D CB -0.251 40.545 40.800 -0.007 0.000 0.966 113 D HN 0.383 nan 8.370 nan 0.000 0.456 114 W N 1.488 122.770 121.300 -0.030 0.000 2.335 114 W HA -0.139 4.522 4.660 0.002 0.000 0.311 114 W C 2.152 178.678 176.519 0.011 0.000 1.213 114 W CA 1.321 58.678 57.345 0.020 0.000 1.274 114 W CB -0.340 29.182 29.460 0.104 0.000 1.148 114 W HN -0.109 nan 8.180 nan 0.000 0.498 115 I N 0.210 120.961 120.570 0.301 0.000 2.179 115 I HA -0.325 3.846 4.170 0.002 0.000 0.242 115 I C 2.684 178.746 176.117 -0.092 0.000 1.088 115 I CA 1.831 63.227 61.300 0.159 0.000 1.357 115 I CB -0.794 37.378 38.000 0.287 0.000 1.051 115 I HN 0.006 nan 8.210 nan 0.000 0.409 116 R N 0.605 121.012 120.500 -0.156 0.000 2.092 116 R HA -0.136 4.205 4.340 0.002 0.000 0.231 116 R C 2.281 178.277 176.300 -0.506 0.000 1.119 116 R CA 1.895 57.710 56.100 -0.475 0.000 0.970 116 R CB -0.236 29.700 30.300 -0.607 0.000 0.864 116 R HN 0.253 nan 8.270 nan 0.000 0.440 117 T N 1.290 115.612 114.554 -0.386 0.000 2.652 117 T HA -0.154 4.197 4.350 0.002 0.000 0.267 117 T C 1.755 176.231 174.700 -0.373 0.000 1.039 117 T CA 1.256 63.141 62.100 -0.358 0.000 1.153 117 T CB -0.166 68.516 68.868 -0.310 0.000 0.863 117 T HN 0.289 nan 8.240 nan 0.000 0.428 118 Q N 1.000 120.495 119.800 -0.509 0.000 2.096 118 Q HA -0.115 4.226 4.340 0.002 0.000 0.204 118 Q C 2.291 178.158 176.000 -0.222 0.000 0.982 118 Q CA 1.468 57.003 55.803 -0.448 0.000 0.850 118 Q CB -0.340 27.989 28.738 -0.682 0.000 0.901 118 Q HN 0.676 nan 8.270 nan 0.000 0.422 119 E N 0.290 120.395 120.200 -0.159 0.000 2.152 119 E HA -0.062 4.289 4.350 0.002 0.000 0.192 119 E C 2.174 178.776 176.600 0.004 0.000 0.983 119 E CA 0.259 56.666 56.400 0.011 0.000 0.818 119 E CB -0.027 29.799 29.700 0.210 0.000 0.758 119 E HN 0.252 nan 8.360 nan 0.000 0.467 120 L N 1.097 122.248 121.223 -0.119 0.000 2.191 120 L HA -0.148 4.193 4.340 0.002 0.000 0.212 120 L C 2.463 179.294 176.870 -0.066 0.000 1.103 120 L CA 1.209 55.996 54.840 -0.088 0.000 0.769 120 L CB -0.264 41.669 42.059 -0.210 0.000 0.908 120 L HN 0.183 nan 8.230 nan 0.000 0.438 121 S N -1.767 113.880 115.700 -0.090 0.000 2.528 121 S HA -0.041 4.430 4.470 0.002 0.000 0.219 121 S C 1.364 175.942 174.600 -0.037 0.000 0.985 121 S CA 0.112 58.273 58.200 -0.066 0.000 0.914 121 S CB -0.081 63.069 63.200 -0.084 0.000 0.776 121 S HN 0.472 nan 8.310 nan 0.000 0.526 122 E N 1.046 121.231 120.200 -0.025 0.000 2.479 122 E HA 0.308 4.659 4.350 0.002 0.000 0.193 122 E C 0.965 177.563 176.600 -0.003 0.000 1.049 122 E CA 0.128 56.528 56.400 -0.000 0.000 0.870 122 E CB -0.002 29.713 29.700 0.025 0.000 0.944 122 E HN 0.647 nan 8.360 nan 0.000 0.492 123 G N 1.333 110.125 108.800 -0.013 0.000 2.171 123 G HA2 -0.285 3.676 3.960 0.002 0.000 0.238 123 G HA3 -0.285 3.676 3.960 0.002 0.000 0.238 123 G C 0.154 175.004 174.900 -0.082 0.000 1.039 123 G CA -0.213 44.871 45.100 -0.028 0.000 0.759 123 G HN 0.302 nan 8.290 nan 0.000 0.501 124 C N 0.553 119.803 119.300 -0.084 0.000 2.585 124 C HA 0.595 5.056 4.460 0.002 0.000 0.406 124 C C 0.426 175.270 174.990 -0.242 0.000 1.312 124 C CA -0.091 58.725 59.018 -0.337 0.000 1.924 124 C CB 0.918 28.573 27.740 -0.142 0.000 2.578 124 C HN 0.563 nan 8.230 nan 0.000 0.580 125 D N 2.825 122.884 120.400 -0.568 0.000 2.479 125 D HA 0.339 4.980 4.640 0.002 0.000 0.246 125 D C -1.803 174.278 176.300 -0.366 0.000 1.336 125 D CA -1.361 52.453 54.000 -0.309 0.000 0.967 125 D CB 1.449 42.166 40.800 -0.138 0.000 1.275 125 D HN 0.150 nan 8.370 nan 0.000 0.577 126 P HA 0.131 nan 4.420 nan 0.000 0.222 126 P C 0.763 177.997 177.300 -0.110 0.000 1.147 126 P CA 0.890 63.847 63.100 -0.238 0.000 0.790 126 P CB 0.238 31.564 31.700 -0.624 0.000 0.780 127 G N -0.380 108.335 108.800 -0.142 0.000 2.295 127 G HA2 -0.296 3.665 3.960 0.002 0.000 0.287 127 G HA3 -0.296 3.665 3.960 0.002 0.000 0.287 127 G C 0.045 174.899 174.900 -0.076 0.000 1.055 127 G CA -0.132 44.921 45.100 -0.078 0.000 0.922 127 G HN 0.232 nan 8.290 nan 0.000 0.503 128 M N 0.735 120.265 119.600 -0.116 0.000 2.303 128 M HA 0.358 4.839 4.480 0.002 0.000 0.350 128 M C 0.672 176.880 176.300 -0.153 0.000 1.518 128 M CA 1.021 56.241 55.300 -0.133 0.000 1.070 128 M CB 0.637 33.114 32.600 -0.206 0.000 1.910 128 M HN 0.318 nan 8.290 nan 0.000 0.458 129 T N 3.409 117.844 114.554 -0.199 0.000 2.923 129 T HA 0.612 4.963 4.350 0.002 0.000 0.311 129 T C -1.365 173.178 174.700 -0.262 0.000 1.183 129 T CA -0.647 61.347 62.100 -0.176 0.000 1.020 129 T CB 0.886 69.716 68.868 -0.063 0.000 1.165 129 T HN 0.333 nan 8.240 nan 0.000 0.482 130 F N 3.022 122.974 119.950 0.003 0.000 2.394 130 F HA 0.478 5.006 4.527 0.002 0.000 0.340 130 F C 1.610 177.392 175.800 -0.031 0.000 1.105 130 F CA -0.391 57.605 58.000 -0.006 0.000 1.124 130 F CB 1.566 40.563 39.000 -0.006 0.000 1.145 130 F HN 0.683 nan 8.300 nan 0.000 0.505 131 T N -1.706 112.936 114.554 0.148 0.000 2.788 131 T HA 0.179 4.530 4.350 0.002 0.000 0.280 131 T C 1.343 176.008 174.700 -0.058 0.000 0.984 131 T CA -0.099 62.010 62.100 0.015 0.000 0.972 131 T CB 1.009 69.862 68.868 -0.026 0.000 1.039 131 T HN 0.620 nan 8.240 nan 0.000 0.530 132 S N 0.104 115.741 115.700 -0.105 0.000 2.400 132 S HA -0.163 4.308 4.470 0.002 0.000 0.232 132 S C 1.475 175.947 174.600 -0.214 0.000 1.025 132 S CA 1.209 59.335 58.200 -0.124 0.000 0.993 132 S CB -0.794 62.347 63.200 -0.099 0.000 0.808 132 S HN 0.817 nan 8.310 nan 0.000 0.478 133 E N 1.129 121.086 120.200 -0.406 0.000 2.482 133 E HA 0.336 4.687 4.350 0.002 0.000 0.196 133 E C 1.417 177.706 176.600 -0.519 0.000 1.047 133 E CA 0.495 56.530 56.400 -0.608 0.000 0.869 133 E CB -0.416 28.558 29.700 -1.211 0.000 0.836 133 E HN 0.693 nan 8.360 nan 0.000 0.520 134 G N 0.076 108.685 108.800 -0.319 0.000 2.159 134 G HA2 -0.246 3.715 3.960 0.002 0.000 0.227 134 G HA3 -0.246 3.715 3.960 0.002 0.000 0.227 134 G C -0.166 174.865 174.900 0.219 0.000 0.986 134 G CA -0.392 44.660 45.100 -0.079 0.000 0.651 134 G HN 0.127 nan 8.290 nan 0.000 0.523 135 F N 0.232 120.274 119.950 0.154 0.000 2.529 135 F HA 0.578 5.106 4.527 0.002 0.000 0.365 135 F C 0.723 176.591 175.800 0.114 0.000 1.102 135 F CA -1.587 56.469 58.000 0.093 0.000 1.271 135 F CB 0.718 39.719 39.000 0.003 0.000 1.120 135 F HN 0.095 nan 8.300 nan 0.000 0.579 136 L N 2.905 124.240 121.223 0.187 0.000 2.276 136 L HA 0.489 4.830 4.340 0.002 0.000 0.286 136 L C -0.018 176.723 176.870 -0.215 0.000 1.061 136 L CA 0.327 55.096 54.840 -0.117 0.000 0.807 136 L CB 1.021 42.995 42.059 -0.141 0.000 1.177 136 L HN 0.684 nan 8.230 nan 0.000 0.429 137 T N 5.178 119.599 114.554 -0.221 0.000 2.887 137 T HA 0.835 5.186 4.350 0.002 0.000 0.288 137 T C -0.946 173.668 174.700 -0.142 0.000 1.021 137 T CA -0.260 61.681 62.100 -0.265 0.000 1.000 137 T CB 0.614 69.358 68.868 -0.207 0.000 1.034 137 T HN 0.538 nan 8.240 nan 0.000 0.467 138 F N 0.633 120.402 119.950 -0.302 0.000 2.858 138 F HA 0.771 5.299 4.527 0.002 0.000 0.319 138 F C -1.469 174.180 175.800 -0.252 0.000 1.166 138 F CA -1.175 56.660 58.000 -0.275 0.000 0.899 138 F CB 1.005 39.819 39.000 -0.310 0.000 1.332 138 F HN 0.682 nan 8.300 nan 0.000 0.461 139 E N -0.141 120.114 120.200 0.091 0.000 2.412 139 E HA 0.670 5.021 4.350 0.002 0.000 0.279 139 E C -1.602 175.033 176.600 0.059 0.000 0.984 139 E CA -0.896 55.488 56.400 -0.027 0.000 0.788 139 E CB 2.625 32.279 29.700 -0.076 0.000 1.277 139 E HN 0.914 nan 8.360 nan 0.000 0.455 140 T N -1.048 113.415 114.554 -0.152 0.000 2.768 140 T HA 0.335 4.686 4.350 0.002 0.000 0.268 140 T C 0.926 175.070 174.700 -0.927 0.000 0.969 140 T CA -0.572 61.203 62.100 -0.541 0.000 1.008 140 T CB 1.129 69.864 68.868 -0.222 0.000 1.371 140 T HN 0.485 nan 8.240 nan 0.000 0.587 141 K N 0.497 120.185 120.400 -1.186 0.000 2.063 141 K HA -0.095 4.226 4.320 0.002 0.000 0.208 141 K C 1.104 177.551 176.600 -0.256 0.000 1.048 141 K CA 2.010 57.904 56.287 -0.655 0.000 0.928 141 K CB -0.418 31.903 32.500 -0.299 0.000 0.713 141 K HN 0.613 nan 8.250 nan 0.000 0.442 142 D N -1.206 119.069 120.400 -0.207 0.000 2.500 142 D HA 0.166 4.807 4.640 0.002 0.000 0.217 142 D C -0.155 176.014 176.300 -0.218 0.000 1.159 142 D CA 0.050 53.967 54.000 -0.138 0.000 0.828 142 D CB 0.807 41.588 40.800 -0.033 0.000 1.039 142 D HN 0.115 nan 8.370 nan 0.000 0.512 143 L N 0.505 121.580 121.223 -0.246 0.000 2.333 143 L HA 0.474 4.815 4.340 0.002 0.000 0.263 143 L C -0.126 176.585 176.870 -0.264 0.000 1.014 143 L CA -0.838 53.834 54.840 -0.279 0.000 0.820 143 L CB 2.229 44.119 42.059 -0.283 0.000 1.352 143 L HN -0.203 nan 8.230 nan 0.000 0.421 144 S N 0.462 115.976 115.700 -0.309 0.000 2.521 144 S HA 0.832 5.303 4.470 0.002 0.000 0.295 144 S C -0.984 173.304 174.600 -0.519 0.000 1.098 144 S CA -0.682 57.297 58.200 -0.369 0.000 0.999 144 S CB 2.052 65.086 63.200 -0.277 0.000 1.034 144 S HN 0.259 nan 8.310 nan 0.000 0.483 145 V N 3.722 123.162 119.914 -0.791 0.000 2.540 145 V HA 0.597 4.718 4.120 0.002 0.000 0.302 145 V C -0.536 175.016 176.094 -0.903 0.000 1.035 145 V CA -0.747 60.965 62.300 -0.980 0.000 0.873 145 V CB 1.618 32.479 31.823 -1.602 0.000 0.992 145 V HN 0.993 nan 8.190 nan 0.000 0.428 146 I N 5.343 125.476 120.570 -0.728 0.000 2.436 146 I HA 0.585 4.756 4.170 0.002 0.000 0.289 146 I C -1.003 174.622 176.117 -0.819 0.000 1.010 146 I CA -0.510 60.349 61.300 -0.735 0.000 1.098 146 I CB 1.224 38.800 38.000 -0.707 0.000 1.266 146 I HN 0.535 nan 8.210 nan 0.000 0.434 147 I N 7.846 127.974 120.570 -0.737 0.000 2.378 147 I HA 0.317 4.488 4.170 0.002 0.000 0.291 147 I C -0.862 174.898 176.117 -0.594 0.000 0.992 147 I CA -0.574 60.318 61.300 -0.680 0.000 1.154 147 I CB 1.251 38.852 38.000 -0.665 0.000 1.315 147 I HN 0.491 nan 8.210 nan 0.000 0.448 148 Y N 2.910 122.998 120.300 -0.353 0.000 2.436 148 Y HA 0.346 4.897 4.550 0.002 0.000 0.336 148 Y C 1.713 177.584 175.900 -0.048 0.000 1.318 148 Y CA -0.122 57.727 58.100 -0.418 0.000 1.493 148 Y CB 0.381 38.479 38.460 -0.603 0.000 1.547 148 Y HN 0.618 nan 8.280 nan 0.000 0.549 149 G N 0.332 109.317 108.800 0.307 0.000 2.442 149 G HA2 -0.288 3.673 3.960 0.002 0.000 0.219 149 G HA3 -0.288 3.673 3.960 0.002 0.000 0.219 149 G C 0.970 175.967 174.900 0.162 0.000 1.141 149 G CA 1.191 46.460 45.100 0.281 0.000 0.763 149 G HN 0.670 nan 8.290 nan 0.000 0.554 150 N N -1.430 117.347 118.700 0.128 0.000 2.268 150 N HA 0.104 4.845 4.740 0.002 0.000 0.204 150 N C 0.666 176.295 175.510 0.198 0.000 1.124 150 N CA -0.556 52.553 53.050 0.099 0.000 0.838 150 N CB -0.208 38.312 38.487 0.055 0.000 0.994 150 N HN 0.269 nan 8.380 nan 0.000 0.489 151 F N -0.834 119.122 119.950 0.011 0.000 2.582 151 F HA -0.244 4.285 4.527 0.002 0.000 0.350 151 F C 0.210 176.023 175.800 0.022 0.000 0.615 151 F CA 0.133 58.138 58.000 0.009 0.000 1.488 151 F CB -1.262 37.730 39.000 -0.012 0.000 1.958 151 F HN 0.054 nan 8.300 nan 0.000 0.294 152 K N 2.308 122.763 120.400 0.092 0.000 2.466 152 K HA 0.242 4.563 4.320 0.002 0.000 0.278 152 K C -0.300 176.263 176.600 -0.062 0.000 1.048 152 K CA 1.014 57.345 56.287 0.072 0.000 1.088 152 K CB 0.306 32.880 32.500 0.124 0.000 0.884 152 K HN 0.188 nan 8.250 nan 0.000 0.478 153 T N 6.301 120.791 114.554 -0.107 0.000 2.807 153 T HA 0.512 4.863 4.350 0.002 0.000 0.279 153 T C -0.636 173.940 174.700 -0.207 0.000 0.993 153 T CA -0.777 61.168 62.100 -0.258 0.000 0.970 153 T CB 0.843 69.564 68.868 -0.244 0.000 0.950 153 T HN 0.501 nan 8.240 nan 0.000 0.441 154 R N 1.676 121.994 120.500 -0.303 0.000 2.513 154 R HA 0.644 4.985 4.340 0.002 0.000 0.301 154 R C -1.295 174.778 176.300 -0.378 0.000 0.968 154 R CA -0.771 55.173 56.100 -0.261 0.000 0.872 154 R CB 2.050 32.242 30.300 -0.180 0.000 1.177 154 R HN 0.352 nan 8.270 nan 0.000 0.444 155 V N 2.874 122.566 119.914 -0.371 0.000 2.370 155 V HA 0.369 4.490 4.120 0.002 0.000 0.283 155 V C -0.108 175.780 176.094 -0.344 0.000 1.023 155 V CA -0.351 61.686 62.300 -0.438 0.000 0.857 155 V CB 1.747 33.241 31.823 -0.548 0.000 0.985 155 V HN 0.762 nan 8.190 nan 0.000 0.443 156 T N 5.330 119.681 114.554 -0.338 0.000 2.856 156 T HA 0.460 4.811 4.350 0.002 0.000 0.283 156 T C -0.147 174.384 174.700 -0.281 0.000 1.008 156 T CA -0.572 61.359 62.100 -0.280 0.000 0.997 156 T CB 1.458 70.181 68.868 -0.242 0.000 0.992 156 T HN 0.646 nan 8.240 nan 0.000 0.454 157 R N 2.046 122.394 120.500 -0.254 0.000 2.265 157 R HA 0.264 4.605 4.340 0.002 0.000 0.314 157 R C 1.018 177.217 176.300 -0.169 0.000 1.053 157 R CA -0.419 55.538 56.100 -0.239 0.000 0.931 157 R CB 0.408 30.587 30.300 -0.201 0.000 1.024 157 R HN 0.618 nan 8.270 nan 0.000 0.457 158 K N 1.272 121.579 120.400 -0.155 0.000 2.097 158 K HA -0.141 4.180 4.320 0.002 0.000 0.206 158 K C 1.873 178.425 176.600 -0.079 0.000 1.049 158 K CA 1.876 58.095 56.287 -0.114 0.000 0.933 158 K CB 0.055 32.495 32.500 -0.101 0.000 0.717 158 K HN 0.687 nan 8.250 nan 0.000 0.442 159 S N 1.614 117.276 115.700 -0.063 0.000 2.383 159 S HA -0.138 4.333 4.470 0.002 0.000 0.227 159 S C 1.413 175.991 174.600 -0.036 0.000 1.026 159 S CA 1.552 59.730 58.200 -0.037 0.000 0.981 159 S CB -0.168 63.023 63.200 -0.016 0.000 0.818 159 S HN 0.423 nan 8.310 nan 0.000 0.472 160 D N -1.142 119.231 120.400 -0.046 0.000 2.500 160 D HA 0.264 4.905 4.640 0.002 0.000 0.218 160 D C 1.315 177.577 176.300 -0.063 0.000 1.140 160 D CA 0.506 54.479 54.000 -0.044 0.000 0.830 160 D CB -0.456 40.326 40.800 -0.030 0.000 1.055 160 D HN 0.601 nan 8.370 nan 0.000 0.512 161 G N 1.273 110.023 108.800 -0.084 0.000 2.148 161 G HA2 -0.342 3.619 3.960 0.002 0.000 0.254 161 G HA3 -0.342 3.619 3.960 0.002 0.000 0.254 161 G C 0.134 174.960 174.900 -0.123 0.000 0.981 161 G CA 0.331 45.370 45.100 -0.102 0.000 0.670 161 G HN 0.618 nan 8.290 nan 0.000 0.528 162 K N 0.700 121.020 120.400 -0.134 0.000 2.368 162 K HA 0.444 4.766 4.320 0.002 0.000 0.282 162 K C 0.637 177.095 176.600 -0.237 0.000 1.035 162 K CA -0.583 55.599 56.287 -0.176 0.000 0.973 162 K CB 0.663 33.060 32.500 -0.172 0.000 0.957 162 K HN 0.009 nan 8.250 nan 0.000 0.474 163 V N 7.291 127.054 119.914 -0.251 0.000 2.421 163 V HA -0.051 4.070 4.120 0.002 0.000 0.271 163 V C 1.398 177.260 176.094 -0.386 0.000 1.031 163 V CA -0.145 61.992 62.300 -0.271 0.000 1.032 163 V CB 0.402 32.101 31.823 -0.206 0.000 1.009 163 V HN 0.800 nan 8.190 nan 0.000 0.477 164 I N 3.997 124.345 120.570 -0.370 0.000 2.480 164 I HA 0.146 4.317 4.170 0.002 0.000 0.251 164 I C 0.656 176.633 176.117 -0.234 0.000 1.124 164 I CA 1.428 62.463 61.300 -0.443 0.000 1.444 164 I CB -0.180 37.694 38.000 -0.210 0.000 1.098 164 I HN 0.501 nan 8.210 nan 0.000 0.428 165 M N 0.983 120.470 119.600 -0.188 0.000 2.520 165 M HA 0.359 4.841 4.480 0.002 0.000 0.283 165 M C -1.882 174.373 176.300 -0.075 0.000 1.237 165 M CA -0.295 54.948 55.300 -0.095 0.000 0.885 165 M CB 2.960 35.370 32.600 -0.315 0.000 1.727 165 M HN 0.252 nan 8.290 nan 0.000 0.468 166 E N 1.793 122.023 120.200 0.050 0.000 2.352 166 E HA 0.448 4.799 4.350 0.002 0.000 0.280 166 E C -1.483 175.149 176.600 0.054 0.000 0.930 166 E CA -0.978 55.434 56.400 0.020 0.000 0.765 166 E CB 1.340 31.073 29.700 0.055 0.000 1.219 166 E HN 0.699 nan 8.360 nan 0.000 0.434 167 N N 1.146 119.867 118.700 0.034 0.000 2.374 167 N HA 0.269 5.010 4.740 0.002 0.000 0.284 167 N C -0.962 174.595 175.510 0.079 0.000 1.280 167 N CA -0.474 52.621 53.050 0.075 0.000 0.963 167 N CB 0.434 38.996 38.487 0.124 0.000 1.141 167 N HN 0.611 nan 8.380 nan 0.000 0.565 168 D N -2.185 118.273 120.400 0.096 0.000 2.248 168 D HA 0.325 4.966 4.640 0.002 0.000 0.246 168 D C -1.300 175.035 176.300 0.058 0.000 1.027 168 D CA -0.420 53.619 54.000 0.065 0.000 0.853 168 D CB 1.112 41.951 40.800 0.065 0.000 1.243 168 D HN 0.454 nan 8.370 nan 0.000 0.462 169 E N 1.392 121.609 120.200 0.029 0.000 2.199 169 E HA 0.440 4.791 4.350 0.002 0.000 0.269 169 E C -1.233 175.366 176.600 -0.001 0.000 0.899 169 E CA -1.126 55.285 56.400 0.018 0.000 0.772 169 E CB 2.665 32.369 29.700 0.006 0.000 1.155 169 E HN 0.199 nan 8.360 nan 0.000 0.408 170 V N 2.512 122.422 119.914 -0.007 0.000 2.472 170 V HA 0.620 4.741 4.120 0.002 0.000 0.290 170 V C 0.105 176.187 176.094 -0.020 0.000 1.037 170 V CA -0.227 62.059 62.300 -0.022 0.000 0.908 170 V CB 1.454 33.253 31.823 -0.039 0.000 0.985 170 V HN 0.744 nan 8.190 nan 0.000 0.454 171 G N 3.987 112.772 108.800 -0.024 0.000 2.444 171 G HA2 0.563 4.524 3.960 0.002 0.000 0.268 171 G HA3 0.563 4.524 3.960 0.002 0.000 0.268 171 G C -0.067 174.819 174.900 -0.024 0.000 1.203 171 G CA 0.298 45.384 45.100 -0.023 0.000 0.835 171 G HN 1.084 nan 8.290 nan 0.000 0.543 172 T N -1.890 112.651 114.554 -0.021 0.000 2.930 172 T HA 0.605 4.956 4.350 0.002 0.000 0.290 172 T C 1.314 176.001 174.700 -0.020 0.000 1.052 172 T CA 0.172 62.259 62.100 -0.023 0.000 1.017 172 T CB 1.846 70.701 68.868 -0.020 0.000 1.137 172 T HN 0.812 nan 8.240 nan 0.000 0.511 173 A N 1.104 123.911 122.820 -0.021 0.000 1.969 173 A HA 0.169 4.490 4.320 0.002 0.000 0.218 173 A C 1.991 179.565 177.584 -0.016 0.000 1.169 173 A CA 1.566 53.592 52.037 -0.019 0.000 0.635 173 A CB -0.753 18.236 19.000 -0.019 0.000 0.810 173 A HN 1.557 nan 8.150 nan 0.000 0.445 174 S N -3.156 112.536 115.700 -0.015 0.000 3.053 174 S HA 0.344 4.815 4.470 0.002 0.000 0.255 174 S C 0.199 174.793 174.600 -0.009 0.000 0.976 174 S CA 0.459 58.652 58.200 -0.012 0.000 1.159 174 S CB 0.090 63.284 63.200 -0.011 0.000 1.110 174 S HN 0.199 nan 8.310 nan 0.000 0.633 175 S N 0.871 116.566 115.700 -0.009 0.000 3.053 175 S HA 0.640 5.111 4.470 0.002 0.000 0.255 175 S C 0.850 175.447 174.600 -0.005 0.000 0.976 175 S CA -0.078 58.119 58.200 -0.005 0.000 1.159 175 S CB 0.605 63.804 63.200 -0.002 0.000 1.110 175 S HN 1.374 nan 8.310 nan 0.000 0.633 176 G N 2.907 111.701 108.800 -0.010 0.000 2.601 176 G HA2 -0.237 3.725 3.960 0.002 0.000 0.252 176 G HA3 -0.237 3.725 3.960 0.002 0.000 0.252 176 G C -0.872 174.021 174.900 -0.012 0.000 1.294 176 G CA -0.620 44.473 45.100 -0.012 0.000 0.912 176 G HN 0.390 nan 8.290 nan 0.000 0.574 177 N N 1.585 120.277 118.700 -0.013 0.000 2.455 177 N HA 0.466 5.207 4.740 0.002 0.000 0.280 177 N C -0.097 175.414 175.510 0.002 0.000 1.055 177 N CA -0.206 52.838 53.050 -0.011 0.000 0.961 177 N CB 1.364 39.839 38.487 -0.020 0.000 1.121 177 N HN 0.442 nan 8.380 nan 0.000 0.476 178 K N 0.902 121.307 120.400 0.008 0.000 2.206 178 K HA 0.257 4.578 4.320 0.002 0.000 0.264 178 K C -0.444 176.180 176.600 0.040 0.000 0.967 178 K CA -0.511 55.791 56.287 0.026 0.000 0.844 178 K CB 1.767 34.284 32.500 0.028 0.000 1.099 178 K HN 0.475 nan 8.250 nan 0.000 0.441 179 C N 4.613 123.952 119.300 0.065 0.000 2.322 179 C HA 0.235 4.696 4.460 0.002 0.000 0.343 179 C C 1.345 176.408 174.990 0.121 0.000 1.190 179 C CA -0.518 58.560 59.018 0.100 0.000 1.704 179 C CB -1.017 26.814 27.740 0.151 0.000 2.293 179 C HN 0.720 nan 8.230 nan 0.000 0.523 180 R N 3.203 123.761 120.500 0.096 0.000 2.346 180 R HA 0.004 4.346 4.340 0.002 0.000 0.199 180 R C 2.094 178.502 176.300 0.181 0.000 1.015 180 R CA 0.742 56.898 56.100 0.093 0.000 1.058 180 R CB -0.061 30.245 30.300 0.009 0.000 0.921 180 R HN 0.977 nan 8.270 nan 0.000 0.475 181 G N 0.809 109.744 108.800 0.225 0.000 2.448 181 G HA2 -0.124 3.837 3.960 0.002 0.000 0.219 181 G HA3 -0.124 3.837 3.960 0.002 0.000 0.219 181 G C 0.607 175.720 174.900 0.354 0.000 1.127 181 G CA 0.399 45.692 45.100 0.322 0.000 0.766 181 G HN 0.134 nan 8.290 nan 0.000 0.552 182 L N 0.477 121.840 121.223 0.234 0.000 2.372 182 L HA 0.611 4.953 4.340 0.002 0.000 0.274 182 L C -0.630 176.440 176.870 0.333 0.000 0.988 182 L CA -0.310 54.629 54.840 0.165 0.000 0.833 182 L CB 1.974 43.983 42.059 -0.083 0.000 1.236 182 L HN 0.020 nan 8.230 nan 0.000 0.410 183 M N 4.572 124.439 119.600 0.446 0.000 2.446 183 M HA 0.621 5.102 4.480 0.002 0.000 0.294 183 M C -1.299 175.437 176.300 0.726 0.000 1.158 183 M CA -0.542 55.049 55.300 0.484 0.000 0.899 183 M CB 2.766 35.562 32.600 0.326 0.000 1.687 183 M HN 0.443 nan 8.290 nan 0.000 0.455 184 F N -0.623 119.623 119.950 0.494 0.000 2.641 184 F HA 0.770 5.298 4.527 0.002 0.000 0.308 184 F C -1.192 174.621 175.800 0.022 0.000 1.105 184 F CA -1.365 56.796 58.000 0.269 0.000 0.964 184 F CB 0.505 39.553 39.000 0.080 0.000 1.294 184 F HN 0.199 nan 8.300 nan 0.000 0.442 185 V N 2.146 121.797 119.914 -0.438 0.000 2.655 185 V HA 0.020 4.141 4.120 0.002 0.000 0.300 185 V C 0.359 176.432 176.094 -0.035 0.000 1.044 185 V CA -0.068 61.855 62.300 -0.629 0.000 1.095 185 V CB 0.477 31.804 31.823 -0.826 0.000 0.952 185 V HN 0.846 nan 8.190 nan 0.000 0.485 186 D N 4.616 125.050 120.400 0.057 0.000 2.586 186 D HA -0.074 4.567 4.640 0.002 0.000 0.234 186 D C 1.244 177.635 176.300 0.152 0.000 1.132 186 D CA 0.064 54.260 54.000 0.326 0.000 0.860 186 D CB 0.632 41.593 40.800 0.269 0.000 1.159 186 D HN 0.425 nan 8.370 nan 0.000 0.490 187 R N 3.799 124.386 120.500 0.145 0.000 2.339 187 R HA -0.023 4.318 4.340 0.002 0.000 0.199 187 R C 1.690 177.928 176.300 -0.103 0.000 1.018 187 R CA 0.043 56.142 56.100 -0.002 0.000 1.036 187 R CB -0.158 30.134 30.300 -0.013 0.000 0.899 187 R HN 0.559 nan 8.270 nan 0.000 0.473 188 L N -0.609 120.496 121.223 -0.197 0.000 2.291 188 L HA -0.104 4.237 4.340 0.002 0.000 0.214 188 L C 1.151 177.636 176.870 -0.642 0.000 1.120 188 L CA 1.286 55.833 54.840 -0.490 0.000 0.799 188 L CB -0.108 41.490 42.059 -0.769 0.000 0.925 188 L HN 0.110 nan 8.230 nan 0.000 0.446 189 Y N -1.792 118.471 120.300 -0.062 0.000 2.512 189 Y HA 0.437 4.988 4.550 0.002 0.000 0.268 189 Y C 1.103 176.923 175.900 -0.134 0.000 1.102 189 Y CA 0.006 58.048 58.100 -0.096 0.000 1.261 189 Y CB 0.498 38.881 38.460 -0.128 0.000 1.250 189 Y HN -0.035 nan 8.280 nan 0.000 0.506 190 G N -0.409 108.362 108.800 -0.048 0.000 2.570 190 G HA2 0.292 4.253 3.960 0.002 0.000 0.310 190 G HA3 0.292 4.253 3.960 0.002 0.000 0.310 190 G C -0.831 173.947 174.900 -0.203 0.000 1.266 190 G CA -0.619 44.390 45.100 -0.152 0.000 0.825 190 G HN 0.005 nan 8.290 nan 0.000 0.483 191 N N -0.690 117.820 118.700 -0.317 0.000 2.082 191 N HA 0.442 5.183 4.740 0.002 0.000 0.228 191 N C 0.472 175.808 175.510 -0.291 0.000 1.341 191 N CA 0.168 53.004 53.050 -0.358 0.000 0.873 191 N CB 1.731 39.796 38.487 -0.702 0.000 1.137 191 N HN 0.742 nan 8.380 nan 0.000 0.505 192 A N 1.254 123.922 122.820 -0.254 0.000 2.366 192 A HA 0.587 4.909 4.320 0.002 0.000 0.249 192 A C 0.225 177.897 177.584 0.148 0.000 1.084 192 A CA -0.260 51.762 52.037 -0.025 0.000 0.794 192 A CB -0.001 19.065 19.000 0.110 0.000 1.034 192 A HN 0.350 nan 8.150 nan 0.000 0.491 193 I N -2.704 118.117 120.570 0.418 0.000 3.002 193 I HA 0.951 5.122 4.170 0.002 0.000 0.310 193 I C -0.268 176.308 176.117 0.764 0.000 1.087 193 I CA -0.998 60.669 61.300 0.613 0.000 1.017 193 I CB 2.292 40.577 38.000 0.475 0.000 1.226 193 I HN 0.906 nan 8.210 nan 0.000 0.443 194 A N 2.133 125.397 122.820 0.740 0.000 2.601 194 A HA 0.799 5.120 4.320 0.002 0.000 0.291 194 A C -1.187 176.757 177.584 0.601 0.000 1.075 194 A CA -0.429 51.918 52.037 0.516 0.000 0.671 194 A CB 1.570 20.600 19.000 0.050 0.000 1.277 194 A HN 0.931 nan 8.150 nan 0.000 0.417 195 S N -0.044 115.990 115.700 0.556 0.000 2.649 195 S HA 0.588 5.059 4.470 0.002 0.000 0.274 195 S C -1.633 173.336 174.600 0.615 0.000 1.176 195 S CA -0.343 58.245 58.200 0.647 0.000 0.988 195 S CB 1.085 64.809 63.200 0.874 0.000 1.071 195 S HN 1.447 nan 8.310 nan 0.000 0.478 196 V N 5.566 125.739 119.914 0.431 0.000 2.448 196 V HA 0.548 4.669 4.120 0.002 0.000 0.295 196 V C 0.038 176.304 176.094 0.287 0.000 1.025 196 V CA -0.789 61.742 62.300 0.385 0.000 0.859 196 V CB 1.500 33.444 31.823 0.202 0.000 0.988 196 V HN 0.923 nan 8.190 nan 0.000 0.431 197 N N 2.458 121.332 118.700 0.290 0.000 2.432 197 N HA 0.497 5.238 4.740 0.002 0.000 0.292 197 N C -0.786 174.808 175.510 0.140 0.000 1.193 197 N CA -1.063 52.077 53.050 0.150 0.000 0.878 197 N CB 1.970 40.484 38.487 0.044 0.000 1.252 197 N HN 0.538 nan 8.380 nan 0.000 0.520 198 K N 1.002 121.442 120.400 0.066 0.000 2.326 198 K HA 0.103 4.424 4.320 0.002 0.000 0.275 198 K C -0.588 175.941 176.600 -0.117 0.000 1.018 198 K CA -0.092 56.130 56.287 -0.109 0.000 0.962 198 K CB 0.339 32.694 32.500 -0.241 0.000 0.953 198 K HN 0.375 nan 8.250 nan 0.000 0.475 199 N N 2.665 121.231 118.700 -0.222 0.000 2.407 199 N HA 0.201 4.942 4.740 0.002 0.000 0.277 199 N C -1.191 174.210 175.510 -0.181 0.000 0.995 199 N CA -0.509 52.562 53.050 0.035 0.000 0.903 199 N CB 0.573 39.131 38.487 0.118 0.000 1.218 199 N HN 0.367 nan 8.380 nan 0.000 0.487 200 F N 2.757 122.858 119.950 0.253 0.000 2.837 200 F HA 0.283 4.811 4.527 0.002 0.000 0.298 200 F C 1.945 177.835 175.800 0.150 0.000 1.161 200 F CA -0.485 57.620 58.000 0.174 0.000 1.353 200 F CB 0.276 39.378 39.000 0.171 0.000 0.951 200 F HN 0.506 nan 8.300 nan 0.000 0.508 201 R N -0.484 120.184 120.500 0.280 0.000 2.120 201 R HA -0.086 4.255 4.340 0.002 0.000 0.234 201 R C 0.808 177.188 176.300 0.134 0.000 1.123 201 R CA 1.542 57.768 56.100 0.212 0.000 0.975 201 R CB -0.360 30.073 30.300 0.221 0.000 0.866 201 R HN 0.129 nan 8.270 nan 0.000 0.446 202 N N 1.013 119.784 118.700 0.118 0.000 2.336 202 N HA -0.023 4.718 4.740 0.002 0.000 0.189 202 N C -0.759 174.814 175.510 0.106 0.000 1.113 202 N CA 0.200 53.301 53.050 0.085 0.000 0.858 202 N CB 0.086 38.606 38.487 0.054 0.000 0.970 202 N HN 0.341 nan 8.380 nan 0.000 0.471 203 D N 0.058 120.558 120.400 0.166 0.000 2.417 203 D HA 0.207 4.848 4.640 0.002 0.000 0.250 203 D C 1.196 177.564 176.300 0.113 0.000 1.166 203 D CA -0.143 53.962 54.000 0.175 0.000 0.881 203 D CB 1.013 41.982 40.800 0.281 0.000 1.164 203 D HN 0.132 nan 8.370 nan 0.000 0.467 204 A N 3.110 125.980 122.820 0.082 0.000 1.908 204 A HA -0.165 4.156 4.320 0.002 0.000 0.218 204 A C 1.997 179.610 177.584 0.048 0.000 1.181 204 A CA 1.450 53.519 52.037 0.055 0.000 0.627 204 A CB -0.444 18.582 19.000 0.043 0.000 0.818 204 A HN 0.528 nan 8.150 nan 0.000 0.445 205 V N -0.549 119.398 119.914 0.054 0.000 2.331 205 V HA -0.150 3.971 4.120 0.002 0.000 0.242 205 V C 2.367 178.492 176.094 0.053 0.000 1.034 205 V CA 2.139 64.465 62.300 0.044 0.000 1.027 205 V CB -0.579 31.265 31.823 0.035 0.000 0.667 205 V HN 0.515 nan 8.190 nan 0.000 0.457 206 K N -0.252 120.196 120.400 0.080 0.000 2.103 206 K HA -0.045 4.276 4.320 0.002 0.000 0.204 206 K C 0.620 177.255 176.600 0.058 0.000 1.052 206 K CA 0.393 56.740 56.287 0.101 0.000 0.945 206 K CB -0.174 32.424 32.500 0.164 0.000 0.722 206 K HN 0.454 nan 8.250 nan 0.000 0.443 207 Q N 1.668 121.517 119.800 0.081 0.000 2.402 207 Q HA -0.218 4.123 4.340 0.002 0.000 0.356 207 Q C -1.132 174.881 176.000 0.022 0.000 1.344 207 Q CA 0.430 56.267 55.803 0.056 0.000 1.062 207 Q CB -1.639 27.111 28.738 0.021 0.000 1.268 207 Q HN 0.403 nan 8.270 nan 0.000 0.383 208 E N -0.171 120.063 120.200 0.057 0.000 2.442 208 E HA 0.205 4.556 4.350 0.002 0.000 0.262 208 E C 0.644 177.181 176.600 -0.106 0.000 1.004 208 E CA 0.641 56.997 56.400 -0.073 0.000 0.928 208 E CB 0.593 30.276 29.700 -0.029 0.000 0.937 208 E HN 0.439 nan 8.360 nan 0.000 0.446 209 G N 2.022 110.671 108.800 -0.251 0.000 2.524 209 G HA2 0.562 4.524 3.960 0.002 0.000 0.310 209 G HA3 0.562 4.524 3.960 0.002 0.000 0.310 209 G C -1.328 173.318 174.900 -0.424 0.000 1.279 209 G CA -0.683 44.286 45.100 -0.219 0.000 0.974 209 G HN 0.320 nan 8.290 nan 0.000 0.484 210 F N 0.543 120.301 119.950 -0.320 0.000 2.458 210 F HA 0.609 5.137 4.527 0.002 0.000 0.336 210 F C -0.406 175.168 175.800 -0.376 0.000 1.114 210 F CA -0.658 57.202 58.000 -0.234 0.000 0.987 210 F CB 2.062 40.963 39.000 -0.166 0.000 1.130 210 F HN 0.337 nan 8.300 nan 0.000 0.458 211 Y N 0.318 120.590 120.300 -0.047 0.000 2.633 211 Y HA 0.791 5.342 4.550 0.002 0.000 0.339 211 Y C 0.718 176.557 175.900 -0.101 0.000 1.045 211 Y CA -0.442 57.621 58.100 -0.060 0.000 1.098 211 Y CB 2.112 40.523 38.460 -0.082 0.000 1.296 211 Y HN 0.803 nan 8.280 nan 0.000 0.494 212 G N 0.385 109.272 108.800 0.145 0.000 2.659 212 G HA2 0.233 4.194 3.960 0.002 0.000 0.214 212 G HA3 0.233 4.194 3.960 0.002 0.000 0.214 212 G C 0.212 175.196 174.900 0.140 0.000 1.191 212 G CA 0.038 45.212 45.100 0.123 0.000 1.141 212 G HN 1.897 nan 8.290 nan 0.000 0.581 213 A N -0.565 122.350 122.820 0.159 0.000 2.872 213 A HA 0.378 4.699 4.320 0.002 0.000 0.273 213 A C 2.187 179.874 177.584 0.172 0.000 1.442 213 A CA 1.595 53.718 52.037 0.144 0.000 0.801 213 A CB -1.778 17.259 19.000 0.061 0.000 1.031 213 A HN 3.170 nan 8.150 nan 0.000 0.582 214 G N -0.833 108.110 108.800 0.239 0.000 2.634 214 G HA2 -0.379 3.582 3.960 0.002 0.000 0.318 214 G HA3 -0.379 3.582 3.960 0.002 0.000 0.318 214 G C 0.498 175.474 174.900 0.126 0.000 1.207 214 G CA 1.030 46.274 45.100 0.240 0.000 0.987 214 G HN 1.252 nan 8.290 nan 0.000 0.547 215 E N -0.020 120.242 120.200 0.104 0.000 2.465 215 E HA 0.393 4.744 4.350 0.002 0.000 0.195 215 E C 0.527 177.113 176.600 -0.024 0.000 1.028 215 E CA -0.269 56.138 56.400 0.012 0.000 0.899 215 E CB 0.715 30.408 29.700 -0.012 0.000 1.032 215 E HN 0.308 nan 8.360 nan 0.000 0.468 216 V N 3.019 122.948 119.914 0.025 0.000 2.673 216 V HA -0.062 4.059 4.120 0.002 0.000 0.303 216 V C 0.376 176.499 176.094 0.048 0.000 1.046 216 V CA 0.144 62.459 62.300 0.026 0.000 1.126 216 V CB 0.315 32.173 31.823 0.058 0.000 0.934 216 V HN 0.269 nan 8.190 nan 0.000 0.487 217 N N 2.838 121.574 118.700 0.059 0.000 2.443 217 N HA 0.458 5.199 4.740 0.002 0.000 0.295 217 N C -0.844 174.807 175.510 0.236 0.000 1.076 217 N CA -0.295 52.849 53.050 0.156 0.000 0.919 217 N CB 1.887 40.458 38.487 0.140 0.000 1.176 217 N HN 0.706 nan 8.380 nan 0.000 0.487 218 C N 1.919 121.400 119.300 0.303 0.000 2.446 218 C HA 0.347 4.808 4.460 0.002 0.000 0.329 218 C C -0.153 174.902 174.990 0.109 0.000 1.166 218 C CA -0.867 58.297 59.018 0.243 0.000 1.341 218 C CB 0.088 27.939 27.740 0.187 0.000 1.970 218 C HN 0.699 nan 8.230 nan 0.000 0.452 219 K N 3.816 124.167 120.400 -0.082 0.000 2.143 219 K HA 0.484 4.805 4.320 0.002 0.000 0.272 219 K C -1.712 174.866 176.600 -0.036 0.000 1.001 219 K CA -0.346 55.658 56.287 -0.472 0.000 0.915 219 K CB 1.006 33.112 32.500 -0.657 0.000 1.047 219 K HN 0.764 nan 8.250 nan 0.000 0.458 220 Y N 5.247 125.446 120.300 -0.168 0.000 2.331 220 Y HA 0.119 4.670 4.550 0.002 0.000 0.326 220 Y C -0.072 175.814 175.900 -0.022 0.000 1.020 220 Y CA -0.193 57.880 58.100 -0.045 0.000 1.136 220 Y CB 0.744 39.197 38.460 -0.011 0.000 1.157 220 Y HN 0.928 nan 8.280 nan 0.000 0.444 221 Q N 2.259 121.754 119.800 -0.509 0.000 1.959 221 Q HA -0.327 4.015 4.340 0.002 0.000 0.375 221 Q C -0.172 175.758 176.000 -0.118 0.000 0.685 221 Q CA 2.141 57.740 55.803 -0.341 0.000 0.942 221 Q CB -0.985 27.516 28.738 -0.396 0.000 2.698 221 Q HN 0.893 nan 8.270 nan 0.000 0.782 222 D N 0.952 121.346 120.400 -0.011 0.000 2.395 222 D HA 0.176 4.817 4.640 0.002 0.000 0.213 222 D C -0.170 176.297 176.300 0.278 0.000 1.110 222 D CA 0.382 54.459 54.000 0.128 0.000 0.835 222 D CB 0.620 41.505 40.800 0.142 0.000 0.965 222 D HN 0.196 nan 8.370 nan 0.000 0.505 223 T N 0.119 114.775 114.554 0.170 0.000 2.863 223 T HA 0.334 4.685 4.350 0.002 0.000 0.285 223 T C -0.555 174.148 174.700 0.005 0.000 1.009 223 T CA -0.477 61.756 62.100 0.223 0.000 0.989 223 T CB 1.594 70.663 68.868 0.335 0.000 1.004 223 T HN -0.149 nan 8.240 nan 0.000 0.455 224 Y N 2.709 123.051 120.300 0.069 0.000 2.327 224 Y HA 0.538 5.090 4.550 0.002 0.000 0.336 224 Y C 0.731 176.677 175.900 0.076 0.000 1.035 224 Y CA -0.894 57.243 58.100 0.061 0.000 1.165 224 Y CB 0.486 38.944 38.460 -0.003 0.000 1.181 224 Y HN 0.524 nan 8.280 nan 0.000 0.494 225 I N 0.730 121.413 120.570 0.189 0.000 2.982 225 I HA 0.430 4.601 4.170 0.002 0.000 0.312 225 I C 0.005 176.196 176.117 0.122 0.000 1.041 225 I CA -0.988 60.392 61.300 0.134 0.000 1.053 225 I CB 1.714 39.761 38.000 0.078 0.000 1.248 225 I HN 0.566 nan 8.210 nan 0.000 0.471 226 L N 1.405 122.688 121.223 0.101 0.000 2.200 226 L HA 0.331 4.672 4.340 0.002 0.000 0.200 226 L C 1.160 178.069 176.870 0.065 0.000 1.072 226 L CA 1.159 56.069 54.840 0.117 0.000 0.787 226 L CB -0.175 41.984 42.059 0.168 0.000 0.957 226 L HN 0.803 nan 8.230 nan 0.000 0.459 227 E N 0.176 120.354 120.200 -0.037 0.000 2.390 227 E HA 0.089 4.440 4.350 0.002 0.000 0.261 227 E C -0.347 176.139 176.600 -0.190 0.000 1.076 227 E CA -0.371 55.866 56.400 -0.272 0.000 0.905 227 E CB 0.507 29.967 29.700 -0.401 0.000 0.984 227 E HN 0.134 nan 8.360 nan 0.000 0.427 228 R N 2.810 123.175 120.500 -0.225 0.000 2.989 228 R HA 0.220 4.561 4.340 0.002 0.000 0.340 228 R C -0.933 175.274 176.300 -0.154 0.000 1.205 228 R CA -0.222 55.796 56.100 -0.136 0.000 1.235 228 R CB 0.760 31.016 30.300 -0.073 0.000 1.394 228 R HN 0.366 nan 8.270 nan 0.000 0.598 229 T N -0.667 113.789 114.554 -0.164 0.000 2.867 229 T HA 0.419 4.770 4.350 0.002 0.000 0.282 229 T C 0.945 175.523 174.700 -0.203 0.000 1.000 229 T CA 0.306 62.334 62.100 -0.119 0.000 1.042 229 T CB 1.749 70.602 68.868 -0.026 0.000 0.973 229 T HN 0.602 nan 8.240 nan 0.000 0.465 230 G N 2.453 111.104 108.800 -0.248 0.000 2.176 230 G HA2 -0.203 3.758 3.960 0.002 0.000 0.252 230 G HA3 -0.203 3.758 3.960 0.002 0.000 0.252 230 G C 0.065 174.778 174.900 -0.312 0.000 1.024 230 G CA 0.531 45.492 45.100 -0.232 0.000 0.755 230 G HN 0.970 nan 8.290 nan 0.000 0.507 231 I N -3.414 116.925 120.570 -0.385 0.000 2.828 231 I HA 0.877 5.048 4.170 0.002 0.000 0.302 231 I C 0.037 176.003 176.117 -0.253 0.000 1.101 231 I CA -1.360 59.610 61.300 -0.549 0.000 1.031 231 I CB 2.353 39.829 38.000 -0.873 0.000 1.231 231 I HN 0.398 nan 8.210 nan 0.000 0.427 232 A N 6.677 129.521 122.820 0.039 0.000 2.260 232 A HA 0.808 5.129 4.320 0.002 0.000 0.312 232 A C -0.367 177.420 177.584 0.339 0.000 1.321 232 A CA -0.486 51.682 52.037 0.218 0.000 0.928 232 A CB 0.426 19.665 19.000 0.397 0.000 1.158 232 A HN 0.810 nan 8.150 nan 0.000 0.542 233 M N 1.254 120.937 119.600 0.138 0.000 2.664 233 M HA 0.591 5.072 4.480 0.002 0.000 0.314 233 M C -0.024 176.288 176.300 0.019 0.000 1.200 233 M CA -0.404 54.963 55.300 0.111 0.000 0.916 233 M CB 2.602 35.228 32.600 0.043 0.000 1.717 233 M HN 0.620 nan 8.290 nan 0.000 0.470 234 T N 0.424 114.943 114.554 -0.058 0.000 2.903 234 T HA 0.467 4.818 4.350 0.002 0.000 0.299 234 T C -1.511 173.092 174.700 -0.162 0.000 1.093 234 T CA -0.886 61.068 62.100 -0.243 0.000 1.002 234 T CB 1.093 69.731 68.868 -0.384 0.000 1.127 234 T HN 0.665 nan 8.240 nan 0.000 0.488 235 N N 3.283 121.859 118.700 -0.208 0.000 2.469 235 N HA 0.343 5.084 4.740 0.002 0.000 0.253 235 N C -1.752 173.734 175.510 -0.039 0.000 0.970 235 N CA -0.221 52.776 53.050 -0.087 0.000 0.940 235 N CB 1.234 39.686 38.487 -0.059 0.000 1.128 235 N HN 0.644 nan 8.380 nan 0.000 0.503 236 Y N 2.304 122.514 120.300 -0.150 0.000 2.441 236 Y HA 0.206 4.757 4.550 0.002 0.000 0.345 236 Y C -1.030 174.833 175.900 -0.062 0.000 1.129 236 Y CA -0.842 57.181 58.100 -0.129 0.000 1.333 236 Y CB 0.215 38.589 38.460 -0.143 0.000 1.104 236 Y HN 0.295 nan 8.280 nan 0.000 0.551 237 N N 4.010 122.589 118.700 -0.202 0.000 2.447 237 N HA 0.074 4.815 4.740 0.002 0.000 0.263 237 N C -1.312 174.138 175.510 -0.101 0.000 1.226 237 N CA 0.768 53.752 53.050 -0.109 0.000 0.906 237 N CB 0.219 38.657 38.487 -0.082 0.000 1.060 237 N HN 0.597 nan 8.380 nan 0.000 0.468 238 Y N -0.036 120.138 120.300 -0.210 0.000 2.553 238 Y HA 0.155 4.706 4.550 0.002 0.000 0.347 238 Y C -0.345 175.453 175.900 -0.169 0.000 1.019 238 Y CA -1.282 56.704 58.100 -0.190 0.000 1.032 238 Y CB 1.571 39.937 38.460 -0.157 0.000 1.284 238 Y HN 0.373 nan 8.280 nan 0.000 0.466 239 D N 2.420 122.596 120.400 -0.373 0.000 2.688 239 D HA 0.033 4.674 4.640 0.002 0.000 0.228 239 D C -0.611 175.712 176.300 0.038 0.000 1.116 239 D CA 0.352 54.275 54.000 -0.128 0.000 1.023 239 D CB -0.598 40.063 40.800 -0.232 0.000 1.100 239 D HN 0.360 nan 8.370 nan 0.000 0.487 240 N N 3.006 121.692 118.700 -0.023 0.000 3.271 240 N HA 0.097 4.838 4.740 0.002 0.000 0.303 240 N C -0.530 175.094 175.510 0.189 0.000 1.415 240 N CA -0.512 52.569 53.050 0.052 0.000 1.159 240 N CB -0.215 38.203 38.487 -0.115 0.000 1.432 240 N HN 0.423 nan 8.380 nan 0.000 0.521 241 L N 1.740 123.113 121.223 0.251 0.000 2.578 241 L HA -0.010 4.331 4.340 0.002 0.000 0.279 241 L C 0.607 177.609 176.870 0.221 0.000 1.227 241 L CA 0.784 55.780 54.840 0.260 0.000 0.900 241 L CB -0.046 42.133 42.059 0.200 0.000 1.144 241 L HN 0.699 nan 8.230 nan 0.000 0.496 242 N N 2.581 121.357 118.700 0.126 0.000 2.936 242 N HA -0.286 4.455 4.740 0.002 0.000 0.236 242 N C -0.535 175.047 175.510 0.120 0.000 0.930 242 N CA 0.796 53.844 53.050 -0.003 0.000 0.966 242 N CB -0.614 37.944 38.487 0.118 0.000 1.090 242 N HN 0.805 nan 8.380 nan 0.000 0.592 243 Y N -2.539 117.889 120.300 0.213 0.000 4.841 243 Y HA -0.249 4.302 4.550 0.002 0.000 0.242 243 Y C 0.606 176.564 175.900 0.098 0.000 1.002 243 Y CA 1.248 59.424 58.100 0.127 0.000 2.011 243 Y CB -2.675 35.879 38.460 0.158 0.000 1.554 243 Y HN 0.657 nan 8.280 nan 0.000 0.618 244 N N -1.671 117.192 118.700 0.272 0.000 2.547 244 N HA 0.099 4.841 4.740 0.002 0.000 0.285 244 N C -0.490 175.166 175.510 0.243 0.000 1.600 244 N CA -0.300 52.883 53.050 0.222 0.000 0.872 244 N CB 0.232 38.864 38.487 0.240 0.000 1.412 244 N HN 0.048 nan 8.380 nan 0.000 0.489 245 Q N 0.221 120.159 119.800 0.230 0.000 2.315 245 Q HA -0.091 4.250 4.340 0.002 0.000 0.289 245 Q C 0.779 176.960 176.000 0.302 0.000 1.044 245 Q CA 0.046 56.017 55.803 0.280 0.000 0.920 245 Q CB 1.082 30.009 28.738 0.315 0.000 1.214 245 Q HN 0.569 nan 8.270 nan 0.000 0.392 246 W N 3.945 125.326 121.300 0.136 0.000 2.374 246 W HA -0.182 4.479 4.660 0.002 0.000 0.288 246 W C 0.643 177.224 176.519 0.104 0.000 1.218 246 W CA 1.575 58.987 57.345 0.112 0.000 1.245 246 W CB 0.355 29.881 29.460 0.110 0.000 1.126 246 W HN 0.719 nan 8.180 nan 0.000 0.545 247 D N 0.526 121.022 120.400 0.160 0.000 2.371 247 D HA -0.159 4.482 4.640 0.002 0.000 0.221 247 D C 1.739 178.084 176.300 0.075 0.000 0.986 247 D CA 0.806 54.846 54.000 0.068 0.000 0.899 247 D CB -1.066 39.863 40.800 0.214 0.000 0.902 247 D HN 0.282 nan 8.370 nan 0.000 0.530 248 L N 0.188 121.413 121.223 0.004 0.000 2.592 248 L HA 0.151 4.492 4.340 0.002 0.000 0.227 248 L C 1.224 178.141 176.870 0.078 0.000 1.127 248 L CA -0.490 54.353 54.840 0.006 0.000 0.884 248 L CB -0.237 41.745 42.059 -0.129 0.000 1.065 248 L HN -0.021 nan 8.230 nan 0.000 0.457 249 R N 1.009 121.404 120.500 -0.174 0.000 2.694 249 R HA 0.253 4.594 4.340 0.002 0.000 0.268 249 R C -2.523 173.478 176.300 -0.498 0.000 1.061 249 R CA -1.403 54.470 56.100 -0.378 0.000 1.133 249 R CB -0.526 29.296 30.300 -0.796 0.000 1.020 249 R HN -0.175 nan 8.270 nan 0.000 0.475 250 P HA 0.182 nan 4.420 nan 0.000 0.274 250 P C -2.474 174.297 177.300 -0.881 0.000 1.237 250 P CA -1.483 60.764 63.100 -1.422 0.000 0.793 250 P CB -0.004 31.117 31.700 -0.964 0.000 0.977 251 P HA -0.046 nan 4.420 nan 0.000 0.262 251 P C -0.458 176.614 177.300 -0.381 0.000 1.182 251 P CA 0.738 63.438 63.100 -0.668 0.000 0.761 251 P CB -0.486 30.880 31.700 -0.558 0.000 0.795 252 H N -1.831 117.147 119.070 -0.154 0.000 2.861 252 H HA -0.251 4.306 4.556 0.002 0.000 0.289 252 H C 0.273 175.581 175.328 -0.032 0.000 1.176 252 H CA 0.403 56.411 56.048 -0.067 0.000 1.146 252 H CB -2.579 27.154 29.762 -0.048 0.000 1.330 252 H HN 0.616 nan 8.280 nan 0.000 0.379 253 H N 1.607 120.615 119.070 -0.104 0.000 2.929 253 H HA 0.163 4.720 4.556 0.002 0.000 0.317 253 H C -0.000 175.381 175.328 0.088 0.000 1.031 253 H CA -0.058 55.961 56.048 -0.049 0.000 1.466 253 H CB 0.561 30.224 29.762 -0.165 0.000 1.482 253 H HN 0.259 nan 8.280 nan 0.000 0.561 254 D N 3.475 123.703 120.400 -0.287 0.000 2.217 254 D HA 0.441 5.082 4.640 0.002 0.000 0.248 254 D C 0.726 176.934 176.300 -0.152 0.000 1.008 254 D CA 0.702 54.652 54.000 -0.082 0.000 0.914 254 D CB 1.596 42.369 40.800 -0.044 0.000 1.182 254 D HN 0.984 nan 8.370 nan 0.000 0.451 255 G N 0.172 109.034 108.800 0.103 0.000 2.796 255 G HA2 0.135 4.096 3.960 0.002 0.000 0.226 255 G HA3 0.135 4.096 3.960 0.002 0.000 0.226 255 G C 0.036 175.135 174.900 0.330 0.000 1.381 255 G CA -0.408 44.773 45.100 0.135 0.000 0.867 255 G HN 0.793 nan 8.290 nan 0.000 0.552 256 A N -0.799 122.184 122.820 0.272 0.000 2.587 256 A HA 0.427 4.748 4.320 0.002 0.000 0.235 256 A C 0.582 178.518 177.584 0.587 0.000 1.044 256 A CA 1.011 53.254 52.037 0.342 0.000 0.754 256 A CB 0.425 19.566 19.000 0.235 0.000 0.968 256 A HN 2.128 nan 8.150 nan 0.000 0.509 257 L N 3.704 125.288 121.223 0.602 0.000 2.260 257 L HA 0.297 4.638 4.340 0.002 0.000 0.289 257 L C -0.300 176.748 176.870 0.298 0.000 1.057 257 L CA -0.158 54.919 54.840 0.396 0.000 0.811 257 L CB 0.293 42.535 42.059 0.305 0.000 1.184 257 L HN 0.673 nan 8.230 nan 0.000 0.429 258 N N 6.001 124.859 118.700 0.262 0.000 2.524 258 N HA 0.382 5.124 4.740 0.002 0.000 0.283 258 N C -2.501 173.118 175.510 0.182 0.000 1.142 258 N CA -1.611 51.582 53.050 0.239 0.000 0.984 258 N CB 0.761 39.403 38.487 0.257 0.000 1.155 258 N HN 0.390 nan 8.380 nan 0.000 0.467 259 P HA 0.105 nan 4.420 nan 0.000 0.265 259 P C -0.512 176.892 177.300 0.173 0.000 1.193 259 P CA 0.637 63.835 63.100 0.164 0.000 0.765 259 P CB 0.584 32.366 31.700 0.136 0.000 0.823 260 D N 0.236 120.602 120.400 -0.057 0.000 2.738 260 D HA 0.048 4.689 4.640 0.002 0.000 0.308 260 D C 0.367 176.458 176.300 -0.349 0.000 1.311 260 D CA -0.443 53.441 54.000 -0.193 0.000 0.799 260 D CB 0.174 40.716 40.800 -0.430 0.000 1.332 260 D HN 0.292 nan 8.370 nan 0.000 0.441 261 Y N 0.304 120.486 120.300 -0.196 0.000 2.333 261 Y HA -0.092 4.459 4.550 0.002 0.000 0.290 261 Y C 1.402 177.298 175.900 -0.008 0.000 1.144 261 Y CA 1.307 59.385 58.100 -0.037 0.000 1.228 261 Y CB -0.999 37.514 38.460 0.087 0.000 0.985 261 Y HN 0.381 nan 8.280 nan 0.000 0.542 262 Y N -0.022 120.231 120.300 -0.078 0.000 2.461 262 Y HA 0.488 5.040 4.550 0.002 0.000 0.277 262 Y C -0.212 175.688 175.900 -0.000 0.000 1.182 262 Y CA -1.774 56.335 58.100 0.015 0.000 1.276 262 Y CB -0.749 37.718 38.460 0.012 0.000 1.087 262 Y HN 0.003 nan 8.280 nan 0.000 0.519 263 I N 4.803 125.294 120.570 -0.133 0.000 2.354 263 I HA 0.329 4.500 4.170 0.002 0.000 0.292 263 I C -2.240 173.837 176.117 -0.066 0.000 0.989 263 I CA -2.462 58.798 61.300 -0.067 0.000 1.188 263 I CB 1.713 39.643 38.000 -0.118 0.000 1.342 263 I HN -0.102 nan 8.210 nan 0.000 0.457 264 P HA 0.220 nan 4.420 nan 0.000 0.272 264 P C -0.667 176.568 177.300 -0.108 0.000 1.240 264 P CA -0.237 62.822 63.100 -0.068 0.000 0.791 264 P CB 1.272 32.947 31.700 -0.041 0.000 0.978 265 M N 0.213 119.746 119.600 -0.111 0.000 2.357 265 M HA 0.237 4.718 4.480 0.002 0.000 0.232 265 M C 1.362 177.529 176.300 -0.221 0.000 0.819 265 M CA -0.204 54.955 55.300 -0.234 0.000 1.630 265 M CB -0.494 32.003 32.600 -0.172 0.000 1.242 265 M HN 0.259 nan 8.290 nan 0.000 0.838 266 Y N -1.577 118.714 120.300 -0.015 0.000 2.478 266 Y HA 0.138 4.689 4.550 0.002 0.000 0.261 266 Y C 0.123 176.070 175.900 0.079 0.000 1.127 266 Y CA -0.013 58.084 58.100 -0.006 0.000 1.288 266 Y CB 0.162 38.566 38.460 -0.092 0.000 1.084 266 Y HN 0.296 nan 8.280 nan 0.000 0.530 267 Y N 0.936 121.289 120.300 0.088 0.000 2.393 267 Y HA 0.706 5.257 4.550 0.002 0.000 0.341 267 Y C -0.518 175.433 175.900 0.085 0.000 0.988 267 Y CA -2.315 55.830 58.100 0.076 0.000 1.078 267 Y CB 1.152 39.640 38.460 0.047 0.000 1.203 267 Y HN -0.105 nan 8.280 nan 0.000 0.453 268 A N 4.335 127.018 122.820 -0.228 0.000 2.260 268 A HA 0.745 5.066 4.320 0.002 0.000 0.312 268 A C -0.721 176.812 177.584 -0.084 0.000 1.321 268 A CA -0.013 51.992 52.037 -0.053 0.000 0.928 268 A CB -0.499 18.540 19.000 0.063 0.000 1.158 268 A HN 1.024 nan 8.150 nan 0.000 0.542 269 A N 4.853 127.709 122.820 0.061 0.000 2.893 269 A HA 0.664 4.985 4.320 0.002 0.000 0.333 269 A C -2.813 174.906 177.584 0.226 0.000 1.152 269 A CA -1.296 50.830 52.037 0.149 0.000 0.782 269 A CB 0.621 19.783 19.000 0.270 0.000 1.108 269 A HN 0.473 nan 8.150 nan 0.000 0.469 270 P HA 0.120 nan 4.420 nan 0.000 0.231 270 P C -0.700 176.831 177.300 0.385 0.000 1.811 270 P CA 0.381 63.610 63.100 0.216 0.000 1.051 270 P CB -0.614 31.179 31.700 0.155 0.000 1.951 271 W N 4.965 126.308 121.300 0.072 0.000 3.211 271 W HA 0.470 5.131 4.660 0.002 0.000 0.335 271 W C -2.622 173.903 176.519 0.009 0.000 1.113 271 W CA -0.855 56.523 57.345 0.054 0.000 1.235 271 W CB 1.430 30.915 29.460 0.042 0.000 1.365 271 W HN -0.134 nan 8.180 nan 0.000 0.476 272 L N 6.801 127.650 121.223 -0.624 0.000 2.401 272 L HA 0.553 4.894 4.340 0.002 0.000 0.266 272 L C -0.295 176.049 176.870 -0.877 0.000 0.991 272 L CA -1.139 53.365 54.840 -0.559 0.000 0.818 272 L CB 2.699 44.674 42.059 -0.140 0.000 1.321 272 L HN 0.305 nan 8.230 nan 0.000 0.413 273 I N 2.812 122.993 120.570 -0.649 0.000 2.339 273 I HA 0.336 4.508 4.170 0.002 0.000 0.290 273 I C -0.315 175.579 176.117 -0.371 0.000 0.994 273 I CA -0.838 60.128 61.300 -0.556 0.000 1.191 273 I CB 1.878 39.642 38.000 -0.394 0.000 1.343 273 I HN 0.175 nan 8.210 nan 0.000 0.458 274 V N 5.457 125.008 119.914 -0.606 0.000 2.498 274 V HA 0.292 4.413 4.120 0.002 0.000 0.279 274 V C -0.075 175.698 176.094 -0.535 0.000 1.048 274 V CA -0.426 61.436 62.300 -0.729 0.000 0.967 274 V CB 1.359 32.532 31.823 -1.084 0.000 0.988 274 V HN 0.694 nan 8.190 nan 0.000 0.473 275 N N 2.692 121.149 118.700 -0.406 0.000 2.399 275 N HA 0.710 5.451 4.740 0.002 0.000 0.284 275 N C -0.362 174.865 175.510 -0.472 0.000 1.025 275 N CA -0.049 52.781 53.050 -0.368 0.000 0.885 275 N CB 2.040 40.413 38.487 -0.190 0.000 1.339 275 N HN 0.883 nan 8.380 nan 0.000 0.487 276 G N 0.643 108.926 108.800 -0.861 0.000 2.574 276 G HA2 0.441 4.402 3.960 0.002 0.000 0.299 276 G HA3 0.441 4.402 3.960 0.002 0.000 0.299 276 G C -0.273 174.247 174.900 -0.633 0.000 1.298 276 G CA -0.552 44.019 45.100 -0.882 0.000 0.952 276 G HN 0.825 nan 8.290 nan 0.000 0.477 277 C N -0.255 118.914 119.300 -0.218 0.000 4.028 277 C HA -0.047 4.414 4.460 0.002 0.000 0.300 277 C C 1.577 176.514 174.990 -0.090 0.000 1.399 277 C CA -0.333 58.647 59.018 -0.064 0.000 2.051 277 C CB -2.851 24.926 27.740 0.061 0.000 1.318 277 C HN 1.386 nan 8.230 nan 0.000 0.696 278 A N -0.053 122.701 122.820 -0.110 0.000 2.511 278 A HA 0.482 4.803 4.320 0.002 0.000 0.242 278 A C 1.567 179.124 177.584 -0.045 0.000 1.069 278 A CA 1.182 53.166 52.037 -0.089 0.000 0.763 278 A CB -0.021 18.933 19.000 -0.075 0.000 1.001 278 A HN 2.463 nan 8.150 nan 0.000 0.498 279 G N 1.222 110.003 108.800 -0.032 0.000 2.205 279 G HA2 -0.195 3.766 3.960 0.002 0.000 0.261 279 G HA3 -0.195 3.766 3.960 0.002 0.000 0.261 279 G C 0.608 175.507 174.900 -0.002 0.000 0.980 279 G CA 1.362 46.459 45.100 -0.005 0.000 0.632 279 G HN 2.129 nan 8.290 nan 0.000 0.533 280 T N -2.133 112.417 114.554 -0.007 0.000 2.937 280 T HA 0.682 5.033 4.350 0.002 0.000 0.283 280 T C 1.736 176.440 174.700 0.006 0.000 1.012 280 T CA 0.851 62.953 62.100 0.003 0.000 0.997 280 T CB 1.469 70.343 68.868 0.009 0.000 1.136 280 T HN 1.051 nan 8.240 nan 0.000 0.551 281 S N -0.386 115.321 115.700 0.011 0.000 2.474 281 S HA -0.087 4.384 4.470 0.002 0.000 0.235 281 S C 1.208 175.827 174.600 0.032 0.000 0.997 281 S CA 0.792 59.000 58.200 0.013 0.000 0.949 281 S CB -0.802 62.404 63.200 0.009 0.000 0.766 281 S HN 0.908 nan 8.310 nan 0.000 0.517 282 E N 0.891 121.118 120.200 0.045 0.000 2.444 282 E HA 0.181 4.532 4.350 0.002 0.000 0.191 282 E C 0.500 177.187 176.600 0.144 0.000 1.041 282 E CA -0.509 55.941 56.400 0.082 0.000 0.883 282 E CB -0.225 29.517 29.700 0.070 0.000 1.024 282 E HN 0.640 nan 8.360 nan 0.000 0.470 283 Q N 1.492 121.339 119.800 0.079 0.000 2.326 283 Q HA -0.068 4.273 4.340 0.002 0.000 0.314 283 Q C -1.072 175.011 176.000 0.139 0.000 1.091 283 Q CA 0.289 56.110 55.803 0.030 0.000 0.974 283 Q CB 0.282 28.997 28.738 -0.039 0.000 1.220 283 Q HN 0.413 nan 8.270 nan 0.000 0.398 284 Y N -0.318 120.006 120.300 0.041 0.000 2.524 284 Y HA 0.751 5.303 4.550 0.002 0.000 0.347 284 Y C -1.255 174.671 175.900 0.044 0.000 1.005 284 Y CA -1.092 57.079 58.100 0.118 0.000 1.025 284 Y CB 1.712 40.303 38.460 0.218 0.000 1.275 284 Y HN 0.406 nan 8.280 nan 0.000 0.460 285 S N 2.335 118.093 115.700 0.098 0.000 2.548 285 S HA 0.672 5.143 4.470 0.002 0.000 0.276 285 S C -1.817 172.784 174.600 0.002 0.000 1.129 285 S CA -0.906 57.236 58.200 -0.096 0.000 0.931 285 S CB 1.308 64.376 63.200 -0.219 0.000 1.068 285 S HN 0.828 nan 8.310 nan 0.000 0.480 286 Y N -1.088 119.137 120.300 -0.126 0.000 2.571 286 Y HA 0.856 5.407 4.550 0.002 0.000 0.341 286 Y C -0.181 175.530 175.900 -0.315 0.000 1.076 286 Y CA -1.280 56.664 58.100 -0.260 0.000 1.029 286 Y CB 0.598 38.824 38.460 -0.390 0.000 1.308 286 Y HN 0.721 nan 8.280 nan 0.000 0.461 287 G N 0.999 109.671 108.800 -0.212 0.000 2.389 287 G HA2 0.413 4.374 3.960 0.002 0.000 0.317 287 G HA3 0.413 4.374 3.960 0.002 0.000 0.317 287 G C -2.319 172.546 174.900 -0.060 0.000 1.137 287 G CA -0.611 44.203 45.100 -0.477 0.000 0.870 287 G HN 0.780 nan 8.290 nan 0.000 0.496 288 W N 3.578 124.666 121.300 -0.353 0.000 2.587 288 W HA 0.626 5.287 4.660 0.002 0.000 0.324 288 W C -2.490 174.184 176.519 0.260 0.000 1.008 288 W CA -2.688 54.703 57.345 0.077 0.000 1.265 288 W CB 1.307 30.844 29.460 0.130 0.000 1.328 288 W HN 0.234 nan 8.180 nan 0.000 0.432 289 F N 8.350 128.628 119.950 0.547 0.000 2.403 289 F HA 0.479 5.007 4.527 0.002 0.000 0.355 289 F C -0.663 175.346 175.800 0.349 0.000 1.119 289 F CA -1.643 56.598 58.000 0.403 0.000 1.007 289 F CB 1.293 40.470 39.000 0.296 0.000 1.194 289 F HN 0.242 nan 8.300 nan 0.000 0.443 290 M N 6.162 125.699 119.600 -0.104 0.000 2.094 290 M HA 0.217 4.698 4.480 0.002 0.000 0.348 290 M C -0.636 175.243 176.300 -0.701 0.000 1.267 290 M CA -0.307 54.799 55.300 -0.325 0.000 1.125 290 M CB 0.060 32.536 32.600 -0.208 0.000 1.527 290 M HN 0.501 nan 8.290 nan 0.000 0.447 291 D N 5.124 124.986 120.400 -0.897 0.000 2.416 291 D HA 0.153 4.794 4.640 0.002 0.000 0.240 291 D C -1.301 174.849 176.300 -0.250 0.000 1.250 291 D CA 0.568 54.110 54.000 -0.763 0.000 0.967 291 D CB 0.154 40.716 40.800 -0.397 0.000 1.059 291 D HN 0.650 nan 8.370 nan 0.000 0.512 292 N N 2.765 121.389 118.700 -0.126 0.000 2.367 292 N HA 0.097 4.839 4.740 0.002 0.000 0.278 292 N C -0.058 175.321 175.510 -0.219 0.000 1.117 292 N CA -0.468 52.497 53.050 -0.140 0.000 0.867 292 N CB 1.971 40.384 38.487 -0.124 0.000 1.649 292 N HN 0.028 nan 8.380 nan 0.000 0.479 293 V N -0.114 119.605 119.914 -0.325 0.000 3.380 293 V HA 0.314 4.435 4.120 0.002 0.000 0.307 293 V C 1.008 176.938 176.094 -0.274 0.000 1.434 293 V CA 0.015 62.022 62.300 -0.489 0.000 1.075 293 V CB -0.328 31.092 31.823 -0.672 0.000 0.954 293 V HN 0.573 nan 8.190 nan 0.000 0.444 294 S N 0.094 115.706 115.700 -0.147 0.000 2.661 294 S HA 0.338 4.809 4.470 0.002 0.000 0.265 294 S C 0.212 174.778 174.600 -0.057 0.000 1.225 294 S CA -0.238 57.929 58.200 -0.055 0.000 0.986 294 S CB 0.765 64.018 63.200 0.089 0.000 1.008 294 S HN 0.639 nan 8.310 nan 0.000 0.565 295 Q N 0.818 120.624 119.800 0.011 0.000 2.263 295 Q HA 0.254 4.595 4.340 0.002 0.000 0.289 295 Q C -0.290 175.542 176.000 -0.279 0.000 1.061 295 Q CA -0.045 55.714 55.803 -0.073 0.000 0.927 295 Q CB 0.173 28.928 28.738 0.028 0.000 1.154 295 Q HN 0.807 nan 8.270 nan 0.000 0.378 296 S N 3.220 118.666 115.700 -0.423 0.000 2.715 296 S HA 0.718 5.189 4.470 0.002 0.000 0.307 296 S C -1.312 172.820 174.600 -0.779 0.000 1.119 296 S CA -0.751 57.192 58.200 -0.429 0.000 0.937 296 S CB 0.990 64.087 63.200 -0.172 0.000 1.150 296 S HN 0.577 nan 8.310 nan 0.000 0.521 297 Y N -0.827 119.322 120.300 -0.252 0.000 2.534 297 Y HA 0.667 5.218 4.550 0.002 0.000 0.345 297 Y C -0.672 175.118 175.900 -0.183 0.000 1.031 297 Y CA -1.069 56.887 58.100 -0.239 0.000 1.022 297 Y CB 2.257 40.504 38.460 -0.354 0.000 1.292 297 Y HN 0.590 nan 8.280 nan 0.000 0.459 298 M N 3.029 122.584 119.600 -0.075 0.000 2.122 298 M HA 0.280 4.761 4.480 0.002 0.000 0.269 298 M C -1.225 174.874 176.300 -0.335 0.000 0.954 298 M CA -0.293 54.856 55.300 -0.252 0.000 0.998 298 M CB 1.453 33.913 32.600 -0.232 0.000 1.755 298 M HN 0.482 nan 8.290 nan 0.000 0.459 299 N N 1.904 120.225 118.700 -0.631 0.000 2.444 299 N HA 0.352 5.093 4.740 0.002 0.000 0.262 299 N C -0.340 174.810 175.510 -0.600 0.000 0.974 299 N CA -0.024 52.624 53.050 -0.669 0.000 0.933 299 N CB 1.535 39.311 38.487 -1.185 0.000 1.137 299 N HN 0.736 nan 8.380 nan 0.000 0.498 300 T N -0.034 114.198 114.554 -0.537 0.000 3.258 300 T HA 0.388 4.739 4.350 0.002 0.000 0.259 300 T C 0.835 175.197 174.700 -0.563 0.000 0.963 300 T CA -0.111 61.513 62.100 -0.793 0.000 0.919 300 T CB -0.297 67.981 68.868 -0.984 0.000 1.110 300 T HN 0.613 nan 8.240 nan 0.000 0.550 301 G N 0.961 109.554 108.800 -0.346 0.000 2.237 301 G HA2 -0.125 3.836 3.960 0.002 0.000 0.153 301 G HA3 -0.125 3.836 3.960 0.002 0.000 0.153 301 G C -0.630 174.190 174.900 -0.133 0.000 1.039 301 G CA -0.523 44.464 45.100 -0.190 0.000 0.719 301 G HN 0.600 nan 8.290 nan 0.000 0.491 302 D N 0.689 121.020 120.400 -0.116 0.000 2.274 302 D HA 0.544 5.186 4.640 0.002 0.000 0.239 302 D C 1.846 178.161 176.300 0.023 0.000 1.104 302 D CA 0.378 54.348 54.000 -0.051 0.000 0.840 302 D CB 1.146 41.940 40.800 -0.011 0.000 1.100 302 D HN 0.210 nan 8.370 nan 0.000 0.477 303 T N -0.353 114.205 114.554 0.006 0.000 3.081 303 T HA 0.017 4.368 4.350 0.002 0.000 0.255 303 T C 0.879 175.591 174.700 0.021 0.000 1.113 303 T CA -0.031 62.081 62.100 0.019 0.000 1.082 303 T CB -0.337 68.526 68.868 -0.008 0.000 0.939 303 T HN 0.286 nan 8.240 nan 0.000 0.506 304 T N 2.832 117.375 114.554 -0.017 0.000 2.933 304 T HA -0.034 4.318 4.350 0.002 0.000 0.306 304 T C 0.164 174.902 174.700 0.064 0.000 1.045 304 T CA 0.177 62.153 62.100 -0.206 0.000 1.143 304 T CB -0.299 68.280 68.868 -0.481 0.000 1.003 304 T HN 0.591 nan 8.240 nan 0.000 0.540 305 W N 2.069 123.423 121.300 0.091 0.000 3.904 305 W HA -0.333 4.328 4.660 0.002 0.000 0.312 305 W C 0.973 177.540 176.519 0.080 0.000 1.159 305 W CA 0.619 58.023 57.345 0.099 0.000 0.704 305 W CB -2.512 27.057 29.460 0.182 0.000 2.209 305 W HN 1.094 nan 8.180 nan 0.000 1.468 306 N N -0.295 118.526 118.700 0.201 0.000 2.725 306 N HA -0.289 4.452 4.740 0.002 0.000 0.249 306 N C 1.090 176.694 175.510 0.156 0.000 1.103 306 N CA 1.081 54.211 53.050 0.134 0.000 0.707 306 N CB -0.836 37.706 38.487 0.093 0.000 1.043 306 N HN 0.389 nan 8.380 nan 0.000 0.553 307 S N -1.710 114.137 115.700 0.244 0.000 2.428 307 S HA 0.220 4.691 4.470 0.002 0.000 0.230 307 S C 1.056 175.812 174.600 0.259 0.000 1.014 307 S CA 1.083 59.438 58.200 0.258 0.000 0.957 307 S CB 0.678 64.097 63.200 0.364 0.000 0.784 307 S HN 0.626 nan 8.310 nan 0.000 0.499 308 G N -0.634 108.284 108.800 0.197 0.000 2.731 308 G HA2 0.631 4.592 3.960 0.002 0.000 0.309 308 G HA3 0.631 4.592 3.960 0.002 0.000 0.309 308 G C -2.083 172.868 174.900 0.085 0.000 1.273 308 G CA -0.877 44.343 45.100 0.199 0.000 0.798 308 G HN 0.274 nan 8.290 nan 0.000 0.509 309 Q N -0.757 119.078 119.800 0.057 0.000 2.379 309 Q HA 0.308 4.649 4.340 0.002 0.000 0.278 309 Q C 0.176 176.170 176.000 -0.009 0.000 1.068 309 Q CA -0.702 55.110 55.803 0.016 0.000 0.816 309 Q CB 3.193 31.937 28.738 0.010 0.000 1.387 309 Q HN 0.657 nan 8.270 nan 0.000 0.413 310 E N 0.708 120.897 120.200 -0.019 0.000 2.160 310 E HA -0.200 4.151 4.350 0.002 0.000 0.195 310 E C -0.011 176.571 176.600 -0.030 0.000 0.991 310 E CA 1.199 57.581 56.400 -0.030 0.000 0.810 310 E CB 0.264 29.952 29.700 -0.020 0.000 0.742 310 E HN 0.495 nan 8.360 nan 0.000 0.466 311 D N -0.379 120.001 120.400 -0.032 0.000 2.342 311 D HA 0.165 4.806 4.640 0.002 0.000 0.221 311 D C -0.002 176.259 176.300 -0.065 0.000 1.101 311 D CA 0.275 54.240 54.000 -0.059 0.000 0.837 311 D CB 0.402 41.159 40.800 -0.071 0.000 0.938 311 D HN 0.060 nan 8.370 nan 0.000 0.508 312 L N -0.001 121.211 121.223 -0.017 0.000 2.354 312 L HA 0.783 5.124 4.340 0.002 0.000 0.264 312 L C -0.564 176.334 176.870 0.047 0.000 1.008 312 L CA -1.161 53.701 54.840 0.037 0.000 0.819 312 L CB 2.244 44.346 42.059 0.071 0.000 1.339 312 L HN -0.225 nan 8.230 nan 0.000 0.420 313 A N 1.415 124.325 122.820 0.150 0.000 2.422 313 A HA 0.828 5.149 4.320 0.002 0.000 0.302 313 A C -1.683 176.140 177.584 0.398 0.000 1.041 313 A CA -0.396 51.709 52.037 0.114 0.000 0.708 313 A CB 1.479 20.568 19.000 0.147 0.000 1.257 313 A HN 0.648 nan 8.150 nan 0.000 0.414 314 Y N -0.615 119.795 120.300 0.183 0.000 2.609 314 Y HA 0.874 5.425 4.550 0.002 0.000 0.342 314 Y C -0.818 175.049 175.900 -0.056 0.000 1.058 314 Y CA -1.652 56.594 58.100 0.244 0.000 1.055 314 Y CB 1.388 39.956 38.460 0.179 0.000 1.292 314 Y HN 0.558 nan 8.280 nan 0.000 0.476 315 M N 1.602 121.334 119.600 0.220 0.000 2.602 315 M HA 0.779 5.260 4.480 0.002 0.000 0.312 315 M C -0.401 176.127 176.300 0.381 0.000 1.181 315 M CA -0.732 54.604 55.300 0.060 0.000 0.910 315 M CB 2.657 35.049 32.600 -0.347 0.000 1.723 315 M HN 1.096 nan 8.290 nan 0.000 0.459 316 G N 0.693 109.698 108.800 0.341 0.000 2.649 316 G HA2 0.879 4.840 3.960 0.002 0.000 0.290 316 G HA3 0.879 4.840 3.960 0.002 0.000 0.290 316 G C -2.368 172.671 174.900 0.232 0.000 1.426 316 G CA -0.533 44.828 45.100 0.435 0.000 0.794 316 G HN 0.903 nan 8.290 nan 0.000 0.483 317 A N -0.773 122.212 122.820 0.274 0.000 2.594 317 A HA 0.667 4.988 4.320 0.002 0.000 0.295 317 A C 0.483 178.206 177.584 0.231 0.000 1.071 317 A CA -0.336 51.795 52.037 0.156 0.000 0.685 317 A CB 1.645 20.693 19.000 0.080 0.000 1.285 317 A HN 0.433 nan 8.150 nan 0.000 0.405 318 Q N -0.506 119.410 119.800 0.195 0.000 2.226 318 Q HA -0.048 4.293 4.340 0.002 0.000 0.204 318 Q C -0.694 175.218 176.000 -0.146 0.000 0.975 318 Q CA 1.743 57.617 55.803 0.117 0.000 0.866 318 Q CB -0.170 28.696 28.738 0.214 0.000 0.915 318 Q HN 0.653 nan 8.270 nan 0.000 0.440 319 Y N -1.861 118.488 120.300 0.083 0.000 2.581 319 Y HA 0.514 5.065 4.550 0.002 0.000 0.345 319 Y C 0.731 176.652 175.900 0.034 0.000 1.036 319 Y CA -0.833 57.300 58.100 0.056 0.000 1.042 319 Y CB 1.443 39.937 38.460 0.056 0.000 1.289 319 Y HN -0.085 nan 8.280 nan 0.000 0.471 320 G N 1.518 110.416 108.800 0.164 0.000 2.621 320 G HA2 0.494 4.456 3.960 0.002 0.000 0.271 320 G HA3 0.494 4.456 3.960 0.002 0.000 0.271 320 G C -2.519 172.425 174.900 0.073 0.000 1.236 320 G CA -1.045 44.088 45.100 0.056 0.000 0.958 320 G HN 0.365 nan 8.290 nan 0.000 0.512 321 P HA 0.359 nan 4.420 nan 0.000 0.297 321 P C -1.371 175.877 177.300 -0.087 0.000 1.307 321 P CA -0.689 62.378 63.100 -0.054 0.000 0.773 321 P CB 1.035 32.731 31.700 -0.008 0.000 1.265 322 F N 0.577 120.289 119.950 -0.396 0.000 2.411 322 F HA 0.448 4.976 4.527 0.002 0.000 0.352 322 F C -0.631 175.031 175.800 -0.229 0.000 1.123 322 F CA -0.099 57.653 58.000 -0.412 0.000 1.044 322 F CB 0.779 39.179 39.000 -1.001 0.000 1.135 322 F HN 0.095 nan 8.300 nan 0.000 0.461 323 D N 5.483 125.722 120.400 -0.268 0.000 2.738 323 D HA 0.188 4.829 4.640 0.002 0.000 0.218 323 D C -1.763 174.425 176.300 -0.188 0.000 1.345 323 D CA -0.203 53.746 54.000 -0.084 0.000 0.943 323 D CB 1.564 42.358 40.800 -0.010 0.000 1.514 323 D HN 0.714 nan 8.370 nan 0.000 0.585 324 Q N 2.933 122.680 119.800 -0.088 0.000 2.315 324 Q HA 0.434 4.775 4.340 0.002 0.000 0.273 324 Q C -1.559 174.469 176.000 0.045 0.000 1.053 324 Q CA -0.669 55.142 55.803 0.013 0.000 0.817 324 Q CB 1.444 30.217 28.738 0.058 0.000 1.326 324 Q HN 0.495 nan 8.270 nan 0.000 0.423 325 H N 1.939 121.187 119.070 0.298 0.000 2.492 325 H HA 0.454 5.011 4.556 0.002 0.000 0.345 325 H C -1.583 173.929 175.328 0.307 0.000 1.136 325 H CA -0.386 55.852 56.048 0.318 0.000 1.202 325 H CB 1.385 31.409 29.762 0.437 0.000 1.524 325 H HN 0.520 nan 8.280 nan 0.000 0.506 326 F N 3.413 123.366 119.950 0.005 0.000 2.426 326 F HA 0.529 5.058 4.527 0.002 0.000 0.348 326 F C -1.203 174.654 175.800 0.095 0.000 1.124 326 F CA -0.771 57.178 58.000 -0.085 0.000 1.008 326 F CB 0.838 39.452 39.000 -0.644 0.000 1.139 326 F HN 0.279 nan 8.300 nan 0.000 0.452 327 V N 8.655 128.449 119.914 -0.200 0.000 2.327 327 V HA 0.059 4.180 4.120 0.002 0.000 0.272 327 V C 0.078 176.119 176.094 -0.087 0.000 1.019 327 V CA -0.457 61.861 62.300 0.031 0.000 0.814 327 V CB 0.402 32.360 31.823 0.224 0.000 1.040 327 V HN 0.938 nan 8.190 nan 0.000 0.440 328 Y N 4.207 124.421 120.300 -0.142 0.000 2.337 328 Y HA 0.413 4.964 4.550 0.002 0.000 0.293 328 Y C 1.397 177.339 175.900 0.070 0.000 1.123 328 Y CA 1.250 59.333 58.100 -0.028 0.000 1.201 328 Y CB 0.152 38.716 38.460 0.173 0.000 1.011 328 Y HN 0.759 nan 8.280 nan 0.000 0.545 329 G N -0.681 108.182 108.800 0.104 0.000 2.730 329 G HA2 0.007 3.969 3.960 0.002 0.000 0.686 329 G HA3 0.007 3.969 3.960 0.002 0.000 0.686 329 G C 0.460 175.407 174.900 0.079 0.000 1.343 329 G CA -0.369 44.751 45.100 0.034 0.000 0.826 329 G HN 0.804 nan 8.290 nan 0.000 0.582 330 A N 0.764 123.631 122.820 0.080 0.000 1.844 330 A HA 0.648 4.969 4.320 0.002 0.000 0.212 330 A C 2.112 179.734 177.584 0.062 0.000 1.221 330 A CA 2.262 54.359 52.037 0.100 0.000 0.607 330 A CB -0.802 18.253 19.000 0.093 0.000 0.878 330 A HN 2.472 nan 8.150 nan 0.000 0.451 331 G N -1.195 107.612 108.800 0.011 0.000 2.621 331 G HA2 0.442 4.403 3.960 0.002 0.000 0.271 331 G HA3 0.442 4.403 3.960 0.002 0.000 0.271 331 G C 0.343 175.208 174.900 -0.058 0.000 1.236 331 G CA 0.036 45.128 45.100 -0.013 0.000 0.958 331 G HN 0.766 nan 8.290 nan 0.000 0.512 332 G N -1.800 106.967 108.800 -0.055 0.000 2.356 332 G HA2 0.679 4.640 3.960 0.002 0.000 0.298 332 G HA3 0.679 4.640 3.960 0.002 0.000 0.298 332 G C 0.215 175.049 174.900 -0.109 0.000 1.145 332 G CA 0.483 45.535 45.100 -0.079 0.000 0.850 332 G HN 1.783 nan 8.290 nan 0.000 0.487 333 G N 1.053 109.772 108.800 -0.135 0.000 2.465 333 G HA2 -0.039 3.922 3.960 0.002 0.000 0.681 333 G HA3 -0.039 3.922 3.960 0.002 0.000 0.681 333 G C 0.676 175.495 174.900 -0.134 0.000 1.340 333 G CA -0.154 44.869 45.100 -0.128 0.000 0.884 333 G HN 0.643 nan 8.290 nan 0.000 0.650 334 M N 0.033 119.553 119.600 -0.133 0.000 2.279 334 M HA 0.010 4.491 4.480 0.002 0.000 0.264 334 M C 1.570 177.838 176.300 -0.054 0.000 1.062 334 M CA 1.285 56.504 55.300 -0.136 0.000 1.099 334 M CB -0.107 32.370 32.600 -0.205 0.000 1.394 334 M HN 0.693 nan 8.290 nan 0.000 0.426 338 V N 0.427 120.471 119.914 0.217 0.000 2.343 338 V HA -0.261 3.860 4.120 0.002 0.000 0.247 338 V C 2.496 178.660 176.094 0.118 0.000 1.051 338 V CA 3.129 65.562 62.300 0.223 0.000 1.036 338 V CB -0.822 31.089 31.823 0.146 0.000 0.654 338 V HN 0.625 nan 8.190 nan 0.000 0.451 339 T N 0.142 114.747 114.554 0.085 0.000 2.720 339 T HA -0.179 4.172 4.350 0.002 0.000 0.268 339 T C 2.008 176.754 174.700 0.078 0.000 1.037 339 T CA 1.807 63.942 62.100 0.058 0.000 1.144 339 T CB -0.346 68.555 68.868 0.056 0.000 0.864 339 T HN 0.583 nan 8.240 nan 0.000 0.444 340 A N 0.647 123.540 122.820 0.121 0.000 1.929 340 A HA 0.025 4.346 4.320 0.002 0.000 0.216 340 A C 1.980 179.677 177.584 0.188 0.000 1.176 340 A CA 1.058 53.188 52.037 0.155 0.000 0.628 340 A CB -0.848 18.256 19.000 0.173 0.000 0.816 340 A HN 0.472 nan 8.150 nan 0.000 0.444 341 F N 2.094 122.025 119.950 -0.032 0.000 2.134 341 F HA -0.178 4.350 4.527 0.002 0.000 0.299 341 F C 2.781 178.436 175.800 -0.243 0.000 1.097 341 F CA 1.538 59.414 58.000 -0.206 0.000 1.264 341 F CB -0.670 38.034 39.000 -0.493 0.000 1.001 341 F HN 0.343 nan 8.300 nan 0.000 0.479 342 S N 0.074 115.652 115.700 -0.203 0.000 2.402 342 S HA -0.170 4.301 4.470 0.002 0.000 0.229 342 S C 2.074 176.578 174.600 -0.160 0.000 1.021 342 S CA 1.093 59.121 58.200 -0.287 0.000 0.974 342 S CB -1.055 62.020 63.200 -0.208 0.000 0.800 342 S HN 0.371 nan 8.310 nan 0.000 0.484 343 L N 1.554 122.751 121.223 -0.044 0.000 2.046 343 L HA 0.167 4.508 4.340 0.002 0.000 0.208 343 L C 2.208 179.096 176.870 0.030 0.000 1.077 343 L CA 1.583 56.440 54.840 0.029 0.000 0.747 343 L CB -0.812 41.317 42.059 0.116 0.000 0.896 343 L HN 0.380 nan 8.230 nan 0.000 0.432 344 L N -0.865 120.369 121.223 0.017 0.000 2.191 344 L HA -0.198 4.143 4.340 0.002 0.000 0.212 344 L C 2.227 179.048 176.870 -0.082 0.000 1.103 344 L CA 1.165 56.018 54.840 0.021 0.000 0.769 344 L CB -0.481 41.611 42.059 0.054 0.000 0.908 344 L HN 0.436 nan 8.230 nan 0.000 0.438 345 Q N -0.314 119.366 119.800 -0.201 0.000 2.319 345 Q HA 0.149 4.490 4.340 0.002 0.000 0.202 345 Q C 1.156 177.084 176.000 -0.119 0.000 0.896 345 Q CA -0.052 55.626 55.803 -0.208 0.000 0.942 345 Q CB 0.377 28.905 28.738 -0.350 0.000 1.083 345 Q HN 0.454 nan 8.270 nan 0.000 0.510 346 G N 0.928 109.683 108.800 -0.075 0.000 2.684 346 G HA2 0.031 3.992 3.960 0.002 0.000 0.255 346 G HA3 0.031 3.992 3.960 0.002 0.000 0.255 346 G C 0.445 175.262 174.900 -0.138 0.000 1.219 346 G CA -0.293 44.763 45.100 -0.073 0.000 0.901 346 G HN -0.001 nan 8.290 nan 0.000 0.548 347 K N -0.327 119.940 120.400 -0.222 0.000 2.564 347 K HA 0.149 4.470 4.320 0.002 0.000 0.205 347 K C 1.326 177.632 176.600 -0.489 0.000 1.053 347 K CA -0.109 55.963 56.287 -0.360 0.000 1.072 347 K CB 1.087 33.355 32.500 -0.385 0.000 0.822 347 K HN 0.489 nan 8.250 nan 0.000 0.497 348 E N 0.189 120.060 120.200 -0.549 0.000 2.209 348 E HA -0.162 4.189 4.350 0.002 0.000 0.196 348 E C 1.334 177.298 176.600 -1.060 0.000 0.993 348 E CA 1.095 56.941 56.400 -0.923 0.000 0.819 348 E CB -0.398 28.336 29.700 -1.611 0.000 0.745 348 E HN 0.444 nan 8.360 nan 0.000 0.477 349 F N 0.365 119.808 119.950 -0.844 0.000 2.546 349 F HA 0.039 4.567 4.527 0.002 0.000 0.298 349 F C 1.223 176.890 175.800 -0.222 0.000 1.120 349 F CA 0.762 58.487 58.000 -0.458 0.000 1.456 349 F CB -0.086 38.831 39.000 -0.139 0.000 1.088 349 F HN -0.088 nan 8.300 nan 0.000 0.572 350 E N -0.024 119.649 120.200 -0.879 0.000 2.481 350 E HA 0.022 4.373 4.350 0.002 0.000 0.198 350 E C -0.085 176.314 176.600 -0.335 0.000 1.027 350 E CA 0.098 56.112 56.400 -0.643 0.000 0.900 350 E CB -0.074 29.176 29.700 -0.750 0.000 0.993 350 E HN 0.318 nan 8.360 nan 0.000 0.482 351 N N 2.053 120.571 118.700 -0.303 0.000 2.747 351 N HA -0.148 4.593 4.740 0.002 0.000 0.249 351 N C -0.784 174.641 175.510 -0.142 0.000 1.107 351 N CA 0.685 53.635 53.050 -0.166 0.000 0.707 351 N CB -0.992 37.458 38.487 -0.063 0.000 1.054 351 N HN 0.285 nan 8.380 nan 0.000 0.555 352 Q N 0.455 120.134 119.800 -0.202 0.000 2.247 352 Q HA 0.061 4.402 4.340 0.002 0.000 0.288 352 Q C 1.826 177.779 176.000 -0.077 0.000 1.079 352 Q CA 0.278 55.993 55.803 -0.146 0.000 0.932 352 Q CB 0.723 29.347 28.738 -0.190 0.000 1.133 352 Q HN 0.366 nan 8.270 nan 0.000 0.377 353 V N 1.143 121.055 119.914 -0.003 0.000 2.871 353 V HA -0.108 4.013 4.120 0.002 0.000 0.256 353 V C 1.295 177.466 176.094 0.129 0.000 1.082 353 V CA 1.085 63.444 62.300 0.098 0.000 1.105 353 V CB -0.321 31.605 31.823 0.171 0.000 0.713 353 V HN 0.585 nan 8.190 nan 0.000 0.473 354 L N -0.201 121.016 121.223 -0.010 0.000 2.638 354 L HA 0.530 4.871 4.340 0.002 0.000 0.195 354 L C 1.000 177.720 176.870 -0.250 0.000 1.065 354 L CA 0.875 55.604 54.840 -0.184 0.000 0.859 354 L CB -0.147 41.729 42.059 -0.304 0.000 1.269 354 L HN 0.179 nan 8.230 nan 0.000 0.484 355 N N 1.267 119.848 118.700 -0.199 0.000 3.243 355 N HA 0.048 4.789 4.740 0.002 0.000 0.310 355 N C 0.662 176.065 175.510 -0.179 0.000 1.313 355 N CA 0.121 53.050 53.050 -0.202 0.000 1.204 355 N CB 0.246 38.644 38.487 -0.149 0.000 1.483 355 N HN 0.451 nan 8.380 nan 0.000 0.553 356 K N 0.361 120.631 120.400 -0.217 0.000 2.025 356 K HA 0.031 4.352 4.320 0.002 0.000 0.207 356 K C 1.215 177.748 176.600 -0.112 0.000 1.049 356 K CA 0.921 57.092 56.287 -0.194 0.000 0.933 356 K CB 0.306 32.679 32.500 -0.212 0.000 0.714 356 K HN 0.120 nan 8.250 nan 0.000 0.438 357 R N 0.088 120.483 120.500 -0.175 0.000 2.404 357 R HA 0.169 4.510 4.340 0.002 0.000 0.237 357 R C 0.389 176.405 176.300 -0.474 0.000 0.907 357 R CA 0.259 56.249 56.100 -0.183 0.000 1.063 357 R CB 1.024 31.188 30.300 -0.226 0.000 1.134 357 R HN 0.215 nan 8.270 nan 0.000 0.529 358 S N -1.218 114.202 115.700 -0.467 0.000 2.627 358 S HA 0.290 4.761 4.470 0.002 0.000 0.268 358 S C -0.568 173.841 174.600 -0.318 0.000 1.130 358 S CA -0.955 56.890 58.200 -0.592 0.000 0.819 358 S CB 1.290 64.204 63.200 -0.476 0.000 1.100 358 S HN -0.053 nan 8.310 nan 0.000 0.465 359 V N -0.171 119.599 119.914 -0.240 0.000 2.465 359 V HA 0.619 4.740 4.120 0.002 0.000 0.279 359 V C 0.331 176.368 176.094 -0.095 0.000 1.045 359 V CA -0.837 61.386 62.300 -0.129 0.000 0.938 359 V CB 0.737 32.525 31.823 -0.059 0.000 0.986 359 V HN 0.899 nan 8.190 nan 0.000 0.467 360 M N 6.534 126.036 119.600 -0.163 0.000 2.228 360 M HA 0.371 4.852 4.480 0.002 0.000 0.351 360 M C -2.093 174.096 176.300 -0.185 0.000 1.233 360 M CA -1.696 53.470 55.300 -0.224 0.000 1.129 360 M CB 0.726 33.136 32.600 -0.317 0.000 1.604 360 M HN 0.590 nan 8.290 nan 0.000 0.457 361 P HA 0.437 nan 4.420 nan 0.000 0.281 361 P C -2.818 174.226 177.300 -0.427 0.000 1.264 361 P CA -1.652 61.022 63.100 -0.710 0.000 0.824 361 P CB -0.258 30.610 31.700 -1.386 0.000 1.092 362 P HA 0.064 nan 4.420 nan 0.000 0.270 362 P C 0.857 177.756 177.300 -0.668 0.000 1.223 362 P CA -0.029 62.667 63.100 -0.674 0.000 0.785 362 P CB 0.384 31.275 31.700 -1.348 0.000 0.923 363 K N 2.345 122.425 120.400 -0.534 0.000 2.147 363 K HA -0.205 4.116 4.320 0.002 0.000 0.205 363 K C 1.769 178.134 176.600 -0.391 0.000 1.049 363 K CA 1.743 57.678 56.287 -0.587 0.000 0.936 363 K CB -1.384 30.630 32.500 -0.811 0.000 0.722 363 K HN 0.521 nan 8.250 nan 0.000 0.446 364 Y N -1.020 119.054 120.300 -0.377 0.000 2.483 364 Y HA -0.016 4.535 4.550 0.001 0.000 0.291 364 Y C 1.541 177.363 175.900 -0.131 0.000 1.143 364 Y CA 0.475 58.403 58.100 -0.287 0.000 1.289 364 Y CB -1.165 37.071 38.460 -0.374 0.000 0.983 364 Y HN -0.127 nan 8.280 nan 0.000 0.556 365 V N 0.073 119.798 119.914 -0.315 0.000 2.720 365 V HA -0.246 3.875 4.120 0.002 0.000 0.256 365 V C 1.361 177.392 176.094 -0.104 0.000 1.082 365 V CA 1.497 63.627 62.300 -0.283 0.000 1.101 365 V CB -0.981 30.332 31.823 -0.850 0.000 0.693 365 V HN 0.372 nan 8.190 nan 0.000 0.479 366 F N 0.479 120.470 119.950 0.069 0.000 2.732 366 F HA 0.391 4.919 4.527 0.002 0.000 0.303 366 F C 1.597 177.421 175.800 0.040 0.000 1.110 366 F CA -0.156 57.882 58.000 0.063 0.000 1.355 366 F CB -0.699 38.256 39.000 -0.075 0.000 1.081 366 F HN 0.136 nan 8.300 nan 0.000 0.565 367 G N -0.520 108.410 108.800 0.217 0.000 2.588 367 G HA2 0.231 4.192 3.960 0.002 0.000 0.281 367 G HA3 0.231 4.192 3.960 0.002 0.000 0.281 367 G C -1.171 173.947 174.900 0.363 0.000 1.236 367 G CA -0.392 44.769 45.100 0.103 0.000 0.969 367 G HN 0.060 nan 8.290 nan 0.000 0.504 368 F N 0.576 120.697 119.950 0.285 0.000 2.404 368 F HA 0.656 5.185 4.527 0.002 0.000 0.358 368 F C -1.021 174.623 175.800 -0.261 0.000 1.120 368 F CA -1.973 56.128 58.000 0.169 0.000 1.144 368 F CB 0.311 39.508 39.000 0.328 0.000 1.133 368 F HN 0.159 nan 8.300 nan 0.000 0.495 369 F N 3.928 123.369 119.950 -0.848 0.000 2.458 369 F HA 0.470 4.997 4.527 0.002 0.000 0.330 369 F C -0.210 175.034 175.800 -0.927 0.000 1.082 369 F CA -0.771 56.756 58.000 -0.789 0.000 0.995 369 F CB 1.717 40.455 39.000 -0.436 0.000 1.170 369 F HN 0.386 nan 8.300 nan 0.000 0.478 370 Q N 1.384 121.024 119.800 -0.266 0.000 2.330 370 Q HA 0.668 5.009 4.340 0.002 0.000 0.269 370 Q C -0.824 175.285 176.000 0.182 0.000 1.022 370 Q CA -0.500 55.297 55.803 -0.011 0.000 0.796 370 Q CB 2.038 30.898 28.738 0.203 0.000 1.271 370 Q HN 0.812 nan 8.270 nan 0.000 0.450 371 G N 1.280 110.222 108.800 0.236 0.000 2.482 371 G HA2 0.687 4.648 3.960 0.002 0.000 0.317 371 G HA3 0.687 4.648 3.960 0.002 0.000 0.317 371 G C -1.523 173.649 174.900 0.452 0.000 1.241 371 G CA -0.625 44.688 45.100 0.356 0.000 0.967 371 G HN 0.499 nan 8.290 nan 0.000 0.482 372 V N 1.965 122.067 119.914 0.313 0.000 2.524 372 V HA 0.293 4.414 4.120 0.002 0.000 0.297 372 V C -1.179 174.990 176.094 0.125 0.000 1.035 372 V CA -0.780 61.509 62.300 -0.018 0.000 0.867 372 V CB 1.517 33.322 31.823 -0.029 0.000 1.004 372 V HN 0.696 nan 8.190 nan 0.000 0.426 373 F N 4.543 124.394 119.950 -0.164 0.000 2.439 373 F HA 0.667 5.195 4.527 0.002 0.000 0.356 373 F C 0.946 176.660 175.800 -0.142 0.000 1.161 373 F CA -0.010 57.989 58.000 -0.001 0.000 1.151 373 F CB 0.530 39.636 39.000 0.176 0.000 1.222 373 F HN 0.758 nan 8.300 nan 0.000 0.558 374 G N 2.883 111.537 108.800 -0.242 0.000 2.244 374 G HA2 -0.033 3.928 3.960 0.002 0.000 0.163 374 G HA3 -0.033 3.928 3.960 0.002 0.000 0.163 374 G C -0.283 174.545 174.900 -0.121 0.000 1.064 374 G CA -0.296 44.612 45.100 -0.320 0.000 0.757 374 G HN 0.992 nan 8.290 nan 0.000 0.484 375 T N -2.400 112.163 114.554 0.016 0.000 2.867 375 T HA 0.729 5.081 4.350 0.002 0.000 0.282 375 T C 1.079 175.859 174.700 0.133 0.000 1.000 375 T CA 0.396 62.549 62.100 0.088 0.000 1.042 375 T CB 2.058 71.044 68.868 0.197 0.000 0.973 375 T HN 0.161 nan 8.240 nan 0.000 0.465 376 S N 1.735 117.424 115.700 -0.018 0.000 2.502 376 S HA 0.336 4.808 4.470 0.002 0.000 0.215 376 S C 0.669 175.088 174.600 -0.301 0.000 1.009 376 S CA 0.114 58.272 58.200 -0.070 0.000 0.908 376 S CB -0.069 63.077 63.200 -0.090 0.000 0.801 376 S HN 1.152 nan 8.310 nan 0.000 0.505 377 S N -0.410 114.895 115.700 -0.657 0.000 2.643 377 S HA 0.442 4.913 4.470 0.002 0.000 0.266 377 S C -0.015 173.939 174.600 -1.076 0.000 1.130 377 S CA -0.767 56.780 58.200 -1.087 0.000 0.817 377 S CB 0.574 63.480 63.200 -0.490 0.000 1.107 377 S HN -0.011 nan 8.310 nan 0.000 0.471 378 L N 0.917 121.573 121.223 -0.946 0.000 1.993 378 L HA 0.501 4.842 4.340 0.002 0.000 0.206 378 L C 0.293 176.804 176.870 -0.599 0.000 1.074 378 L CA 1.482 55.916 54.840 -0.677 0.000 0.746 378 L CB -0.823 40.885 42.059 -0.585 0.000 0.896 378 L HN 0.725 nan 8.230 nan 0.000 0.435 379 L N -0.110 120.836 121.223 -0.462 0.000 2.343 379 L HA 0.323 4.664 4.340 0.002 0.000 0.275 379 L C 1.701 178.418 176.870 -0.256 0.000 1.056 379 L CA -0.605 54.021 54.840 -0.357 0.000 0.804 379 L CB 1.126 43.017 42.059 -0.281 0.000 1.203 379 L HN 0.136 nan 8.230 nan 0.000 0.440 380 R N 1.697 122.077 120.500 -0.200 0.000 2.103 380 R HA -0.203 4.138 4.340 0.002 0.000 0.242 380 R C 1.973 178.164 176.300 -0.182 0.000 1.142 380 R CA 1.673 57.680 56.100 -0.155 0.000 0.960 380 R CB -0.422 29.812 30.300 -0.110 0.000 0.858 380 R HN 0.848 nan 8.270 nan 0.000 0.439 381 A N 0.557 123.220 122.820 -0.261 0.000 2.125 381 A HA -0.130 4.191 4.320 0.002 0.000 0.219 381 A C 0.911 178.202 177.584 -0.489 0.000 1.156 381 A CA 1.164 52.974 52.037 -0.380 0.000 0.671 381 A CB -0.194 18.518 19.000 -0.480 0.000 0.794 381 A HN 0.336 nan 8.150 nan 0.000 0.459 382 H N -2.163 116.837 119.070 -0.117 0.000 2.662 382 H HA 0.287 4.844 4.556 0.002 0.000 0.268 382 H C -0.053 175.188 175.328 -0.144 0.000 1.152 382 H CA -0.343 55.634 56.048 -0.118 0.000 1.072 382 H CB -0.140 29.551 29.762 -0.119 0.000 1.660 382 H HN 0.406 nan 8.280 nan 0.000 0.584 383 M N 3.954 123.507 119.600 -0.078 0.000 2.146 383 M HA 0.198 4.679 4.480 0.002 0.000 0.352 383 M C -2.198 174.064 176.300 -0.065 0.000 1.343 383 M CA -1.319 53.920 55.300 -0.103 0.000 1.115 383 M CB 0.887 33.416 32.600 -0.119 0.000 1.657 383 M HN -0.077 nan 8.290 nan 0.000 0.471 384 P HA 0.143 nan 4.420 nan 0.000 0.269 384 P C -1.044 176.233 177.300 -0.039 0.000 1.209 384 P CA -0.251 62.825 63.100 -0.041 0.000 0.776 384 P CB 0.367 32.043 31.700 -0.041 0.000 0.876 385 A N 1.651 124.454 122.820 -0.028 0.000 2.407 385 A HA 0.601 4.922 4.320 0.002 0.000 0.248 385 A C 0.668 178.241 177.584 -0.018 0.000 1.082 385 A CA 0.587 52.612 52.037 -0.021 0.000 0.785 385 A CB -0.404 18.587 19.000 -0.014 0.000 1.020 385 A HN 0.862 nan 8.150 nan 0.000 0.489 386 G N 0.316 109.113 108.800 -0.005 0.000 2.386 386 G HA2 0.369 4.330 3.960 0.002 0.000 0.302 386 G HA3 0.369 4.330 3.960 0.002 0.000 0.302 386 G C -0.924 174.001 174.900 0.042 0.000 1.629 386 G CA -0.621 44.481 45.100 0.003 0.000 0.917 386 G HN 0.918 nan 8.290 nan 0.000 0.676 387 E N 0.793 121.052 120.200 0.099 0.000 2.417 387 E HA 0.150 4.501 4.350 0.002 0.000 0.261 387 E C 1.045 177.804 176.600 0.265 0.000 1.000 387 E CA 0.544 57.060 56.400 0.194 0.000 0.919 387 E CB 0.166 30.048 29.700 0.304 0.000 0.955 387 E HN 0.635 nan 8.360 nan 0.000 0.455 388 N N 2.819 121.632 118.700 0.189 0.000 2.828 388 N HA -0.210 4.531 4.740 0.002 0.000 0.248 388 N C -1.091 174.487 175.510 0.114 0.000 1.044 388 N CA 0.843 54.003 53.050 0.183 0.000 0.851 388 N CB -1.191 37.490 38.487 0.324 0.000 1.136 388 N HN 0.503 nan 8.380 nan 0.000 0.572 389 N N 0.725 119.460 118.700 0.058 0.000 2.407 389 N HA 0.269 5.010 4.740 0.002 0.000 0.250 389 N C 0.007 175.522 175.510 0.008 0.000 1.236 389 N CA 0.483 53.536 53.050 0.006 0.000 0.879 389 N CB 0.438 38.912 38.487 -0.021 0.000 1.088 389 N HN 0.489 nan 8.380 nan 0.000 0.450 390 I N 0.048 120.616 120.570 -0.004 0.000 2.769 390 I HA 0.326 4.497 4.170 0.002 0.000 0.298 390 I C -0.414 175.680 176.117 -0.038 0.000 1.128 390 I CA -0.569 60.733 61.300 0.003 0.000 1.031 390 I CB 1.476 39.510 38.000 0.058 0.000 1.235 390 I HN 0.587 nan 8.210 nan 0.000 0.423 391 S N 4.605 120.268 115.700 -0.062 0.000 2.654 391 S HA 0.365 4.836 4.470 0.002 0.000 0.283 391 S C 0.947 175.506 174.600 -0.068 0.000 1.180 391 S CA -0.750 57.370 58.200 -0.133 0.000 1.021 391 S CB 1.864 64.954 63.200 -0.182 0.000 1.018 391 S HN 0.476 nan 8.310 nan 0.000 0.532 392 V N 1.427 121.271 119.914 -0.117 0.000 2.324 392 V HA -0.223 3.898 4.120 0.002 0.000 0.250 392 V C 2.766 178.877 176.094 0.028 0.000 1.060 392 V CA 2.530 64.823 62.300 -0.012 0.000 1.042 392 V CB -1.254 30.512 31.823 -0.095 0.000 0.650 392 V HN 1.078 nan 8.190 nan 0.000 0.450 393 E N 0.279 120.395 120.200 -0.140 0.000 2.049 393 E HA -0.326 4.025 4.350 0.002 0.000 0.198 393 E C 2.286 178.945 176.600 0.097 0.000 1.007 393 E CA 1.948 58.359 56.400 0.018 0.000 0.809 393 E CB -0.254 29.382 29.700 -0.106 0.000 0.749 393 E HN 0.747 nan 8.360 nan 0.000 0.450 394 E N 0.172 120.384 120.200 0.020 0.000 2.153 394 E HA -0.203 4.148 4.350 0.002 0.000 0.194 394 E C 2.111 178.705 176.600 -0.011 0.000 0.988 394 E CA 1.334 57.733 56.400 -0.002 0.000 0.811 394 E CB -0.142 29.558 29.700 0.001 0.000 0.746 394 E HN 0.429 nan 8.360 nan 0.000 0.466 395 I N 0.394 121.023 120.570 0.098 0.000 2.202 395 I HA -0.232 3.939 4.170 0.002 0.000 0.242 395 I C 2.379 178.544 176.117 0.080 0.000 1.091 395 I CA 0.658 62.068 61.300 0.184 0.000 1.368 395 I CB -0.166 38.013 38.000 0.298 0.000 1.058 395 I HN 0.054 nan 8.210 nan 0.000 0.410 396 V N 0.679 120.704 119.914 0.185 0.000 2.343 396 V HA -0.265 3.856 4.120 0.002 0.000 0.247 396 V C 2.352 178.464 176.094 0.031 0.000 1.051 396 V CA 1.849 64.278 62.300 0.214 0.000 1.036 396 V CB -0.653 31.446 31.823 0.461 0.000 0.654 396 V HN 0.410 nan 8.190 nan 0.000 0.451 397 E N 0.288 120.479 120.200 -0.014 0.000 2.077 397 E HA -0.163 4.188 4.350 0.002 0.000 0.193 397 E C 2.336 178.736 176.600 -0.333 0.000 0.989 397 E CA 1.292 57.627 56.400 -0.108 0.000 0.800 397 E CB -0.539 29.118 29.700 -0.071 0.000 0.746 397 E HN 0.640 nan 8.360 nan 0.000 0.452 398 G N -0.032 108.325 108.800 -0.739 0.000 2.440 398 G HA2 -0.268 3.693 3.960 0.002 0.000 0.218 398 G HA3 -0.268 3.693 3.960 0.002 0.000 0.218 398 G C 1.089 175.372 174.900 -1.029 0.000 1.154 398 G CA 0.893 45.043 45.100 -1.584 0.000 0.767 398 G HN 0.209 nan 8.290 nan 0.000 0.552 399 Y N 0.661 120.588 120.300 -0.623 0.000 2.163 399 Y HA -0.037 4.514 4.550 0.002 0.000 0.288 399 Y C 3.220 179.120 175.900 0.001 0.000 1.136 399 Y CA 1.606 59.551 58.100 -0.258 0.000 1.147 399 Y CB -0.323 37.714 38.460 -0.706 0.000 0.987 399 Y HN 0.240 nan 8.280 nan 0.000 0.509 400 Q N -0.413 119.447 119.800 0.100 0.000 2.049 400 Q HA -0.148 4.193 4.340 0.002 0.000 0.198 400 Q C 1.855 177.894 176.000 0.065 0.000 0.971 400 Q CA 1.147 57.023 55.803 0.122 0.000 0.833 400 Q CB -0.205 28.596 28.738 0.106 0.000 0.896 400 Q HN 0.421 nan 8.270 nan 0.000 0.434 401 N N 0.986 119.683 118.700 -0.006 0.000 2.205 401 N HA -0.105 4.636 4.740 0.002 0.000 0.186 401 N C 0.845 176.364 175.510 0.014 0.000 1.015 401 N CA 0.926 53.965 53.050 -0.017 0.000 0.862 401 N CB -0.159 38.287 38.487 -0.068 0.000 0.986 401 N HN 0.241 nan 8.380 nan 0.000 0.429 402 N N 0.892 119.628 118.700 0.061 0.000 2.268 402 N HA -0.012 4.729 4.740 0.002 0.000 0.204 402 N C -0.270 175.320 175.510 0.134 0.000 1.124 402 N CA -0.005 53.126 53.050 0.135 0.000 0.838 402 N CB 0.013 38.653 38.487 0.254 0.000 0.994 402 N HN 0.127 nan 8.380 nan 0.000 0.489 403 N N 0.268 119.040 118.700 0.121 0.000 2.754 403 N HA -0.213 4.528 4.740 0.002 0.000 0.248 403 N C -1.286 174.234 175.510 0.017 0.000 1.093 403 N CA 0.286 53.368 53.050 0.054 0.000 0.699 403 N CB -1.925 36.546 38.487 -0.026 0.000 1.016 403 N HN 0.130 nan 8.380 nan 0.000 0.552 404 F N 0.381 120.418 119.950 0.143 0.000 2.396 404 F HA 0.392 4.920 4.527 0.002 0.000 0.343 404 F C -1.370 174.507 175.800 0.129 0.000 1.104 404 F CA -1.774 56.335 58.000 0.181 0.000 1.161 404 F CB 0.826 40.062 39.000 0.393 0.000 1.146 404 F HN 0.000 nan 8.300 nan 0.000 0.522 405 P HA 0.044 nan 4.420 nan 0.000 0.267 405 P C -1.076 176.314 177.300 0.150 0.000 1.209 405 P CA 0.294 63.315 63.100 -0.133 0.000 0.763 405 P CB 0.216 31.427 31.700 -0.816 0.000 0.816 406 F N 2.992 122.960 119.950 0.030 0.000 2.607 406 F HA 0.298 4.826 4.527 0.002 0.000 0.322 406 F C 0.744 176.520 175.800 -0.039 0.000 1.176 406 F CA -0.844 57.176 58.000 0.032 0.000 0.977 406 F CB 2.046 41.050 39.000 0.007 0.000 1.242 406 F HN 0.129 nan 8.300 nan 0.000 0.465 407 E N 3.138 122.902 120.200 -0.727 0.000 2.140 407 E HA 0.486 4.837 4.350 0.002 0.000 0.191 407 E C 0.809 176.798 176.600 -1.018 0.000 0.973 407 E CA 1.280 57.217 56.400 -0.772 0.000 0.829 407 E CB 0.329 29.386 29.700 -1.072 0.000 0.781 407 E HN 0.993 nan 8.360 nan 0.000 0.466 408 G N -1.311 106.557 108.800 -1.552 0.000 2.356 408 G HA2 0.189 4.150 3.960 0.002 0.000 0.266 408 G HA3 0.189 4.150 3.960 0.002 0.000 0.266 408 G C -1.694 172.951 174.900 -0.425 0.000 1.312 408 G CA -0.587 43.989 45.100 -0.873 0.000 0.922 408 G HN 0.045 nan 8.290 nan 0.000 0.480 409 L N 0.355 121.653 121.223 0.125 0.000 2.342 409 L HA 0.800 5.141 4.340 0.002 0.000 0.271 409 L C 0.480 177.539 176.870 0.315 0.000 1.008 409 L CA -0.821 54.184 54.840 0.274 0.000 0.818 409 L CB 2.312 44.559 42.059 0.314 0.000 1.296 409 L HN 1.016 nan 8.230 nan 0.000 0.427 410 A N 2.557 125.530 122.820 0.254 0.000 2.322 410 A HA 0.636 4.957 4.320 0.002 0.000 0.327 410 A C -0.567 177.255 177.584 0.397 0.000 1.394 410 A CA -0.473 51.724 52.037 0.268 0.000 0.921 410 A CB 0.328 19.204 19.000 -0.205 0.000 1.153 410 A HN 0.386 nan 8.150 nan 0.000 0.523 411 V N 3.904 124.047 119.914 0.381 0.000 2.408 411 V HA 0.143 4.264 4.120 0.002 0.000 0.267 411 V C 0.399 176.585 176.094 0.154 0.000 1.047 411 V CA -0.427 62.015 62.300 0.237 0.000 0.937 411 V CB 0.859 32.777 31.823 0.158 0.000 0.999 411 V HN 0.897 nan 8.190 nan 0.000 0.472 412 D N 2.629 123.169 120.400 0.233 0.000 2.478 412 D HA 0.200 4.841 4.640 0.002 0.000 0.274 412 D C 1.330 177.609 176.300 -0.034 0.000 1.234 412 D CA -0.108 54.037 54.000 0.242 0.000 1.069 412 D CB 1.974 43.071 40.800 0.495 0.000 1.113 412 D HN 0.333 nan 8.370 nan 0.000 0.571 413 V N -0.619 119.278 119.914 -0.029 0.000 2.913 413 V HA -0.157 3.964 4.120 0.002 0.000 0.260 413 V C 1.316 177.327 176.094 -0.138 0.000 1.098 413 V CA 1.691 63.898 62.300 -0.155 0.000 1.121 413 V CB -0.936 30.778 31.823 -0.182 0.000 0.714 413 V HN 0.455 nan 8.190 nan 0.000 0.487 414 D N 0.217 120.613 120.400 -0.007 0.000 2.392 414 D HA -0.190 4.451 4.640 0.002 0.000 0.228 414 D C 1.823 177.959 176.300 -0.274 0.000 1.003 414 D CA 1.130 55.093 54.000 -0.061 0.000 0.917 414 D CB -0.335 40.482 40.800 0.030 0.000 0.890 414 D HN 0.564 nan 8.370 nan 0.000 0.532 415 M N -0.388 118.884 119.600 -0.546 0.000 2.334 415 M HA -0.028 4.453 4.480 0.002 0.000 0.266 415 M C 0.345 176.314 176.300 -0.552 0.000 1.082 415 M CA 0.454 55.093 55.300 -1.103 0.000 1.141 415 M CB 0.164 32.135 32.600 -1.049 0.000 1.380 415 M HN -0.139 nan 8.290 nan 0.000 0.440 416 Q N 1.650 121.239 119.800 -0.352 0.000 2.417 416 Q HA 0.003 4.344 4.340 0.002 0.000 0.241 416 Q C -0.477 175.414 176.000 -0.182 0.000 1.008 416 Q CA -0.231 55.424 55.803 -0.247 0.000 0.901 416 Q CB 0.307 28.887 28.738 -0.263 0.000 1.259 416 Q HN 0.131 nan 8.270 nan 0.000 0.489 417 D N 1.910 122.219 120.400 -0.151 0.000 2.367 417 D HA -0.073 4.568 4.640 0.002 0.000 0.255 417 D C -0.243 175.962 176.300 -0.157 0.000 1.300 417 D CA 0.420 54.345 54.000 -0.125 0.000 0.959 417 D CB -0.618 40.118 40.800 -0.107 0.000 1.064 417 D HN 0.662 nan 8.370 nan 0.000 0.509 418 N N 4.360 122.986 118.700 -0.123 0.000 2.705 418 N HA -0.241 4.500 4.740 0.002 0.000 0.255 418 N C -0.003 175.432 175.510 -0.125 0.000 1.008 418 N CA 0.348 53.333 53.050 -0.109 0.000 0.742 418 N CB -0.635 37.800 38.487 -0.087 0.000 0.906 418 N HN 0.674 nan 8.380 nan 0.000 0.541 419 L N -2.869 118.270 121.223 -0.140 0.000 4.291 419 L HA -0.287 4.054 4.340 0.002 0.000 0.413 419 L C 0.019 176.798 176.870 -0.152 0.000 1.162 419 L CA 0.980 55.764 54.840 -0.093 0.000 0.961 419 L CB -1.320 40.775 42.059 0.060 0.000 2.095 419 L HN 0.395 nan 8.230 nan 0.000 0.838 420 R N 0.675 120.988 120.500 -0.311 0.000 2.205 420 R HA 0.431 4.772 4.340 0.002 0.000 0.342 420 R C 0.230 176.319 176.300 -0.352 0.000 1.058 420 R CA -0.382 55.392 56.100 -0.543 0.000 0.904 420 R CB 1.593 31.303 30.300 -0.984 0.000 1.089 420 R HN 0.056 nan 8.270 nan 0.000 0.471 421 V N 5.068 124.805 119.914 -0.295 0.000 2.763 421 V HA -0.072 4.049 4.120 0.002 0.000 0.306 421 V C 0.331 176.260 176.094 -0.275 0.000 1.059 421 V CA 0.985 63.010 62.300 -0.458 0.000 1.138 421 V CB -0.379 31.037 31.823 -0.679 0.000 0.940 421 V HN 0.928 nan 8.190 nan 0.000 0.489 422 F N 1.858 121.636 119.950 -0.287 0.000 2.411 422 F HA -0.174 4.354 4.527 0.002 0.000 0.393 422 F C 0.812 176.514 175.800 -0.163 0.000 0.576 422 F CA 1.062 58.882 58.000 -0.300 0.000 1.609 422 F CB -2.423 36.362 39.000 -0.358 0.000 2.186 422 F HN 0.828 nan 8.300 nan 0.000 0.274 423 T N -1.733 112.813 114.554 -0.013 0.000 2.937 423 T HA 0.819 5.170 4.350 0.002 0.000 0.283 423 T C 0.188 174.869 174.700 -0.031 0.000 1.012 423 T CA 0.147 62.248 62.100 0.002 0.000 0.997 423 T CB 2.775 71.621 68.868 -0.038 0.000 1.136 423 T HN 0.486 nan 8.240 nan 0.000 0.551 424 T N -1.515 113.062 114.554 0.039 0.000 2.896 424 T HA 0.681 5.032 4.350 0.002 0.000 0.297 424 T C -0.860 173.891 174.700 0.086 0.000 1.108 424 T CA -1.161 60.973 62.100 0.057 0.000 1.004 424 T CB 1.822 70.837 68.868 0.245 0.000 1.159 424 T HN 1.042 nan 8.240 nan 0.000 0.499 425 K N 0.269 120.728 120.400 0.099 0.000 2.185 425 K HA 0.640 4.961 4.320 0.002 0.000 0.240 425 K C 1.438 178.177 176.600 0.232 0.000 0.983 425 K CA -0.743 55.614 56.287 0.116 0.000 0.873 425 K CB 0.965 33.511 32.500 0.077 0.000 1.118 425 K HN 0.711 nan 8.250 nan 0.000 0.441 426 G N 1.090 109.944 108.800 0.089 0.000 2.469 426 G HA2 -0.284 3.677 3.960 0.002 0.000 0.220 426 G HA3 -0.284 3.677 3.960 0.002 0.000 0.220 426 G C 0.957 175.932 174.900 0.125 0.000 1.136 426 G CA 0.821 45.946 45.100 0.041 0.000 0.759 426 G HN 0.790 nan 8.290 nan 0.000 0.562 427 E N -0.362 119.899 120.200 0.101 0.000 2.331 427 E HA -0.047 4.304 4.350 0.002 0.000 0.199 427 E C 1.003 177.503 176.600 -0.166 0.000 1.008 427 E CA 0.543 56.924 56.400 -0.032 0.000 0.843 427 E CB -0.228 29.434 29.700 -0.063 0.000 0.761 427 E HN 0.590 nan 8.360 nan 0.000 0.507 428 F N -1.300 118.665 119.950 0.024 0.000 2.750 428 F HA 0.255 4.783 4.527 0.002 0.000 0.297 428 F C -0.425 175.240 175.800 -0.224 0.000 1.138 428 F CA -0.497 57.425 58.000 -0.130 0.000 1.346 428 F CB 0.322 39.202 39.000 -0.200 0.000 0.965 428 F HN -0.112 nan 8.300 nan 0.000 0.514 429 W N -0.470 120.776 121.300 -0.090 0.000 2.936 429 W HA 0.303 4.964 4.660 0.001 0.000 0.338 429 W C 1.441 177.901 176.519 -0.099 0.000 1.121 429 W CA -0.932 56.360 57.345 -0.088 0.000 1.209 429 W CB 1.075 30.498 29.460 -0.062 0.000 1.420 429 W HN -0.133 nan 8.180 nan 0.000 0.516 430 T N -1.763 112.889 114.554 0.164 0.000 2.833 430 T HA -0.107 4.244 4.350 0.002 0.000 0.269 430 T C 1.404 176.214 174.700 0.184 0.000 1.054 430 T CA 1.465 63.643 62.100 0.130 0.000 1.135 430 T CB -0.201 68.754 68.868 0.146 0.000 0.869 430 T HN 0.454 nan 8.240 nan 0.000 0.466 431 A N 1.056 123.957 122.820 0.136 0.000 2.307 431 A HA 0.398 4.719 4.320 0.002 0.000 0.218 431 A C 1.135 178.600 177.584 -0.199 0.000 1.228 431 A CA 0.366 52.423 52.037 0.033 0.000 0.857 431 A CB -0.901 18.124 19.000 0.040 0.000 0.897 431 A HN 0.557 nan 8.150 nan 0.000 0.495 432 N N -0.700 117.827 118.700 -0.289 0.000 2.741 432 N HA -0.196 4.545 4.740 0.002 0.000 0.250 432 N C -0.119 175.250 175.510 -0.235 0.000 1.115 432 N CA 1.510 54.299 53.050 -0.435 0.000 0.724 432 N CB -1.251 36.644 38.487 -0.986 0.000 1.090 432 N HN 0.890 nan 8.380 nan 0.000 0.558 433 R N -2.645 117.742 120.500 -0.189 0.000 2.680 433 R HA 0.653 4.994 4.340 0.002 0.000 0.269 433 R C -1.066 174.866 176.300 -0.614 0.000 1.026 433 R CA -1.019 54.909 56.100 -0.286 0.000 0.889 433 R CB 0.915 31.075 30.300 -0.233 0.000 1.241 433 R HN -0.114 nan 8.270 nan 0.000 0.463 434 V N 1.925 121.398 119.914 -0.735 0.000 2.470 434 V HA 0.441 4.562 4.120 0.002 0.000 0.276 434 V C 0.818 176.204 176.094 -1.181 0.000 1.040 434 V CA 0.417 61.940 62.300 -1.295 0.000 1.008 434 V CB 0.733 32.192 31.823 -0.606 0.000 0.990 434 V HN 0.897 nan 8.190 nan 0.000 0.477 435 G N 2.818 110.448 108.800 -1.950 0.000 2.705 435 G HA2 0.529 4.490 3.960 0.002 0.000 0.299 435 G HA3 0.529 4.490 3.960 0.002 0.000 0.299 435 G C 0.648 175.327 174.900 -0.369 0.000 1.315 435 G CA 0.245 44.833 45.100 -0.855 0.000 1.045 435 G HN 0.709 nan 8.290 nan 0.000 0.517 436 T N -3.366 111.169 114.554 -0.031 0.000 3.054 436 T HA 0.508 4.859 4.350 0.002 0.000 0.255 436 T C 0.982 175.816 174.700 0.222 0.000 1.035 436 T CA 0.724 62.883 62.100 0.099 0.000 0.941 436 T CB -0.057 68.833 68.868 0.037 0.000 1.026 436 T HN 2.233 nan 8.240 nan 0.000 0.533 437 G N -0.307 108.690 108.800 0.329 0.000 2.650 437 G HA2 0.416 4.377 3.960 0.002 0.000 0.686 437 G HA3 0.416 4.377 3.960 0.002 0.000 0.686 437 G C 0.526 175.550 174.900 0.207 0.000 1.205 437 G CA -0.203 45.082 45.100 0.308 0.000 0.781 437 G HN 1.466 nan 8.290 nan 0.000 0.648 438 G N -0.323 108.590 108.800 0.189 0.000 2.155 438 G HA2 -0.054 3.907 3.960 0.002 0.000 0.257 438 G HA3 -0.054 3.907 3.960 0.002 0.000 0.257 438 G C 0.268 175.246 174.900 0.130 0.000 0.983 438 G CA 1.390 46.575 45.100 0.141 0.000 0.676 438 G HN 1.845 nan 8.290 nan 0.000 0.528 439 D N 0.530 121.026 120.400 0.161 0.000 2.380 439 D HA 0.440 5.081 4.640 0.002 0.000 0.230 439 D C -0.123 176.263 176.300 0.143 0.000 1.154 439 D CA -2.102 51.980 54.000 0.138 0.000 0.859 439 D CB 1.343 42.227 40.800 0.140 0.000 1.045 439 D HN 0.149 nan 8.370 nan 0.000 0.495 440 P HA -0.078 nan 4.420 nan 0.000 0.222 440 P C 0.411 177.779 177.300 0.113 0.000 1.147 440 P CA 0.623 63.787 63.100 0.107 0.000 0.790 440 P CB 0.465 32.213 31.700 0.080 0.000 0.780 441 N N -0.460 118.303 118.700 0.105 0.000 2.336 441 N HA 0.001 4.742 4.740 0.002 0.000 0.189 441 N C 0.105 175.689 175.510 0.124 0.000 1.113 441 N CA 0.395 53.505 53.050 0.101 0.000 0.858 441 N CB -0.295 38.235 38.487 0.072 0.000 0.970 441 N HN 0.146 nan 8.380 nan 0.000 0.471 442 N N 0.738 119.538 118.700 0.167 0.000 2.732 442 N HA 0.146 4.887 4.740 0.002 0.000 0.247 442 N C -1.272 174.461 175.510 0.372 0.000 1.305 442 N CA -0.274 52.920 53.050 0.241 0.000 0.762 442 N CB 0.555 39.154 38.487 0.186 0.000 1.361 442 N HN -0.125 nan 8.380 nan 0.000 0.545 443 R N 0.496 121.165 120.500 0.282 0.000 2.410 443 R HA 0.418 4.759 4.340 0.002 0.000 0.288 443 R C 0.605 176.884 176.300 -0.036 0.000 1.051 443 R CA -0.486 55.726 56.100 0.185 0.000 1.021 443 R CB 0.891 31.303 30.300 0.187 0.000 1.032 443 R HN 0.616 nan 8.270 nan 0.000 0.481 444 S N 0.853 116.231 115.700 -0.536 0.000 2.624 444 S HA -0.002 4.469 4.470 0.002 0.000 0.263 444 S C 1.334 175.555 174.600 -0.633 0.000 1.287 444 S CA -0.679 56.752 58.200 -1.282 0.000 0.990 444 S CB 1.391 63.664 63.200 -1.545 0.000 0.950 444 S HN 0.476 nan 8.310 nan 0.000 0.561 445 V N 1.124 120.581 119.914 -0.763 0.000 2.370 445 V HA -0.169 3.952 4.120 0.002 0.000 0.252 445 V C 1.752 177.666 176.094 -0.301 0.000 1.068 445 V CA 2.180 64.183 62.300 -0.494 0.000 1.061 445 V CB -1.207 30.290 31.823 -0.542 0.000 0.656 445 V HN 0.813 nan 8.190 nan 0.000 0.455 446 F N 0.810 120.654 119.950 -0.177 0.000 2.163 446 F HA 0.032 4.559 4.527 0.001 0.000 0.297 446 F C 2.441 178.026 175.800 -0.358 0.000 1.094 446 F CA 1.604 59.467 58.000 -0.227 0.000 1.290 446 F CB -0.995 37.864 39.000 -0.236 0.000 1.017 446 F HN 0.229 nan 8.300 nan 0.000 0.483 447 E N -0.911 119.244 120.200 -0.074 0.000 2.072 447 E HA -0.242 4.109 4.350 0.002 0.000 0.191 447 E C 1.953 178.621 176.600 0.113 0.000 0.985 447 E CA 1.276 57.679 56.400 0.005 0.000 0.801 447 E CB -0.502 29.235 29.700 0.063 0.000 0.750 447 E HN 0.529 nan 8.360 nan 0.000 0.452 448 W N 1.636 122.894 121.300 -0.070 0.000 2.338 448 W HA -0.234 4.426 4.660 0.001 0.000 0.304 448 W C 2.335 178.867 176.519 0.022 0.000 1.212 448 W CA 2.151 59.485 57.345 -0.018 0.000 1.264 448 W CB -0.242 29.186 29.460 -0.053 0.000 1.142 448 W HN 0.036 nan 8.180 nan 0.000 0.512 449 A N -0.458 122.510 122.820 0.247 0.000 1.877 449 A HA -0.270 4.051 4.320 0.002 0.000 0.216 449 A C 1.814 179.428 177.584 0.051 0.000 1.186 449 A CA 2.010 54.112 52.037 0.110 0.000 0.620 449 A CB -1.404 17.735 19.000 0.232 0.000 0.822 449 A HN 0.468 nan 8.150 nan 0.000 0.443 450 H N 0.627 119.733 119.070 0.061 0.000 2.321 450 H HA -0.140 4.417 4.556 0.002 0.000 0.295 450 H C 1.473 176.782 175.328 -0.031 0.000 1.102 450 H CA 1.780 57.852 56.048 0.040 0.000 1.266 450 H CB -0.465 29.340 29.762 0.072 0.000 1.363 450 H HN 0.459 nan 8.280 nan 0.000 0.492 451 D N 0.431 120.859 120.400 0.047 0.000 2.310 451 D HA -0.082 4.559 4.640 0.002 0.000 0.212 451 D C 1.494 177.692 176.300 -0.170 0.000 0.965 451 D CA 0.596 54.554 54.000 -0.070 0.000 0.879 451 D CB 0.110 40.846 40.800 -0.106 0.000 0.921 451 D HN 0.255 nan 8.370 nan 0.000 0.510 452 K N -0.265 119.984 120.400 -0.251 0.000 2.404 452 K HA 0.161 4.482 4.320 0.002 0.000 0.194 452 K C 1.086 177.644 176.600 -0.070 0.000 1.023 452 K CA 0.233 56.375 56.287 -0.241 0.000 1.094 452 K CB 0.835 33.087 32.500 -0.413 0.000 0.841 452 K HN 0.132 nan 8.250 nan 0.000 0.523 453 G N 1.609 110.399 108.800 -0.015 0.000 2.136 453 G HA2 -0.250 3.711 3.960 0.002 0.000 0.242 453 G HA3 -0.250 3.711 3.960 0.002 0.000 0.242 453 G C 0.031 174.960 174.900 0.049 0.000 0.989 453 G CA 0.190 45.314 45.100 0.039 0.000 0.682 453 G HN 0.216 nan 8.290 nan 0.000 0.522 454 L N -0.637 120.613 121.223 0.045 0.000 2.331 454 L HA 0.909 5.250 4.340 0.002 0.000 0.268 454 L C 0.753 177.684 176.870 0.102 0.000 1.015 454 L CA -1.470 53.365 54.840 -0.008 0.000 0.807 454 L CB 1.804 43.829 42.059 -0.057 0.000 1.293 454 L HN 0.254 nan 8.230 nan 0.000 0.451 455 V N -2.684 117.236 119.914 0.011 0.000 3.001 455 V HA 0.729 4.851 4.120 0.002 0.000 0.314 455 V C -0.767 175.459 176.094 0.221 0.000 1.099 455 V CA -0.787 61.560 62.300 0.078 0.000 0.989 455 V CB 1.684 33.308 31.823 -0.331 0.000 1.040 455 V HN 0.866 nan 8.190 nan 0.000 0.434 456 C N 2.933 122.384 119.300 0.252 0.000 2.626 456 C HA 0.778 5.239 4.460 0.002 0.000 0.310 456 C C -0.136 174.849 174.990 -0.008 0.000 1.191 456 C CA -0.618 58.553 59.018 0.253 0.000 1.517 456 C CB 1.463 29.411 27.740 0.347 0.000 2.102 456 C HN 1.112 nan 8.230 nan 0.000 0.479 457 Q N 0.806 120.425 119.800 -0.301 0.000 2.215 457 Q HA 0.834 5.175 4.340 0.002 0.000 0.256 457 Q C -0.676 175.172 176.000 -0.252 0.000 0.972 457 Q CA -0.279 55.116 55.803 -0.679 0.000 0.889 457 Q CB 1.776 29.762 28.738 -1.254 0.000 1.281 457 Q HN 0.640 nan 8.270 nan 0.000 0.456 458 T N 0.496 114.754 114.554 -0.493 0.000 2.896 458 T HA 0.262 4.613 4.350 0.002 0.000 0.297 458 T C -1.218 172.631 174.700 -1.417 0.000 1.108 458 T CA -0.826 60.858 62.100 -0.692 0.000 1.004 458 T CB 1.437 70.102 68.868 -0.338 0.000 1.159 458 T HN 0.680 nan 8.240 nan 0.000 0.499 459 N N 3.579 121.268 118.700 -1.685 0.000 2.405 459 N HA 0.158 4.899 4.740 0.002 0.000 0.260 459 N C -0.644 174.286 175.510 -0.967 0.000 1.152 459 N CA -0.224 51.767 53.050 -1.765 0.000 0.948 459 N CB -0.081 37.800 38.487 -1.009 0.000 1.111 459 N HN 0.446 nan 8.380 nan 0.000 0.485 460 I N 3.682 123.758 120.570 -0.824 0.000 2.306 460 I HA 0.124 4.295 4.170 0.002 0.000 0.288 460 I C 0.992 176.903 176.117 -0.344 0.000 1.036 460 I CA -0.487 60.446 61.300 -0.612 0.000 1.221 460 I CB -0.018 37.696 38.000 -0.477 0.000 1.385 460 I HN 0.385 nan 8.210 nan 0.000 0.472 461 T N 1.801 116.123 114.554 -0.387 0.000 2.847 461 T HA 0.256 4.607 4.350 0.002 0.000 0.279 461 T C 0.886 175.534 174.700 -0.087 0.000 0.984 461 T CA -0.690 61.266 62.100 -0.240 0.000 0.988 461 T CB 1.434 69.951 68.868 -0.586 0.000 1.040 461 T HN 0.745 nan 8.240 nan 0.000 0.528 462 C N 0.015 119.369 119.300 0.091 0.000 2.760 462 C HA 0.611 5.072 4.460 0.002 0.000 0.293 462 C C 0.177 175.313 174.990 0.243 0.000 1.383 462 C CA -1.435 57.729 59.018 0.243 0.000 1.771 462 C CB -2.415 25.540 27.740 0.358 0.000 2.353 462 C HN 0.736 nan 8.230 nan 0.000 0.578 463 F N -0.138 119.869 119.950 0.096 0.000 2.469 463 F HA 0.852 5.380 4.527 0.002 0.000 0.332 463 F C -0.751 175.002 175.800 -0.078 0.000 1.103 463 F CA -1.737 56.138 58.000 -0.208 0.000 0.979 463 F CB 0.697 39.526 39.000 -0.285 0.000 1.137 463 F HN -0.264 nan 8.300 nan 0.000 0.463 464 L N 4.532 125.782 121.223 0.046 0.000 2.276 464 L HA 0.414 4.755 4.340 0.002 0.000 0.286 464 L C 0.299 177.317 176.870 0.247 0.000 1.024 464 L CA -0.566 54.404 54.840 0.216 0.000 0.826 464 L CB 0.900 43.083 42.059 0.206 0.000 1.211 464 L HN 0.868 nan 8.230 nan 0.000 0.422 465 R N 2.038 122.744 120.500 0.343 0.000 2.504 465 R HA -0.106 4.235 4.340 0.002 0.000 0.291 465 R C 0.751 177.168 176.300 0.196 0.000 0.974 465 R CA 0.478 56.703 56.100 0.208 0.000 1.077 465 R CB 0.431 30.770 30.300 0.065 0.000 0.926 465 R HN 0.595 nan 8.270 nan 0.000 0.407 466 N N 1.632 120.387 118.700 0.091 0.000 2.454 466 N HA -0.072 4.669 4.740 0.002 0.000 0.177 466 N C -0.828 174.714 175.510 0.053 0.000 1.049 466 N CA 0.557 53.643 53.050 0.061 0.000 0.887 466 N CB 0.402 38.895 38.487 0.010 0.000 1.095 466 N HN 0.712 nan 8.380 nan 0.000 0.446 467 D N 0.111 120.538 120.400 0.045 0.000 2.517 467 D HA 0.078 4.719 4.640 0.002 0.000 0.220 467 D C -0.403 175.918 176.300 0.034 0.000 1.158 467 D CA -0.170 53.853 54.000 0.038 0.000 0.992 467 D CB -0.233 40.593 40.800 0.042 0.000 1.058 467 D HN 0.075 nan 8.370 nan 0.000 0.516 468 N N 1.618 120.344 118.700 0.044 0.000 2.270 468 N HA -0.051 4.690 4.740 0.002 0.000 0.198 468 N C -0.401 175.124 175.510 0.024 0.000 1.117 468 N CA -0.086 52.988 53.050 0.040 0.000 0.845 468 N CB 0.198 38.741 38.487 0.092 0.000 0.980 468 N HN 0.521 nan 8.380 nan 0.000 0.486 469 E N 0.144 120.356 120.200 0.020 0.000 2.160 469 E HA -0.272 4.079 4.350 0.002 0.000 0.180 469 E C 1.026 177.632 176.600 0.011 0.000 1.452 469 E CA 0.313 56.720 56.400 0.012 0.000 0.683 469 E CB -1.528 28.177 29.700 0.007 0.000 1.072 469 E HN 0.534 nan 8.360 nan 0.000 0.332 470 G N 0.179 108.988 108.800 0.015 0.000 2.347 470 G HA2 -0.414 3.548 3.960 0.002 0.000 0.247 470 G HA3 -0.414 3.548 3.960 0.002 0.000 0.247 470 G C 0.321 175.230 174.900 0.016 0.000 1.037 470 G CA 0.441 45.549 45.100 0.012 0.000 0.622 470 G HN 0.411 nan 8.290 nan 0.000 0.521 471 Q N 1.312 121.123 119.800 0.020 0.000 2.352 471 Q HA 0.316 4.657 4.340 0.002 0.000 0.260 471 Q C -0.755 175.279 176.000 0.056 0.000 0.976 471 Q CA -0.184 55.635 55.803 0.027 0.000 0.881 471 Q CB 0.541 29.288 28.738 0.016 0.000 1.235 471 Q HN 0.337 nan 8.270 nan 0.000 0.419 472 D N 2.018 122.453 120.400 0.057 0.000 2.312 472 D HA 0.063 4.704 4.640 0.002 0.000 0.252 472 D C -1.006 175.388 176.300 0.156 0.000 1.150 472 D CA 0.291 54.339 54.000 0.080 0.000 0.870 472 D CB 0.343 41.171 40.800 0.047 0.000 1.153 472 D HN 0.335 nan 8.370 nan 0.000 0.457 473 Y N 3.159 123.464 120.300 0.010 0.000 2.646 473 Y HA 0.110 4.661 4.550 0.002 0.000 0.334 473 Y C 1.090 177.010 175.900 0.034 0.000 1.004 473 Y CA -0.938 57.172 58.100 0.017 0.000 1.301 473 Y CB 0.613 39.084 38.460 0.020 0.000 1.093 473 Y HN 0.355 nan 8.280 nan 0.000 0.530 474 E N 2.755 122.917 120.200 -0.063 0.000 2.130 474 E HA -0.140 4.211 4.350 0.002 0.000 0.196 474 E C 1.187 177.642 176.600 -0.241 0.000 0.998 474 E CA 1.827 58.154 56.400 -0.121 0.000 0.806 474 E CB 0.292 29.961 29.700 -0.051 0.000 0.738 474 E HN 0.608 nan 8.360 nan 0.000 0.459 475 V N 2.360 121.969 119.914 -0.508 0.000 2.343 475 V HA -0.248 3.873 4.120 0.002 0.000 0.247 475 V C 2.599 178.572 176.094 -0.202 0.000 1.051 475 V CA 1.993 64.085 62.300 -0.347 0.000 1.036 475 V CB -0.823 30.797 31.823 -0.340 0.000 0.654 475 V HN 0.373 nan 8.190 nan 0.000 0.451 476 N N -0.039 118.291 118.700 -0.616 0.000 2.216 476 N HA -0.184 4.557 4.740 0.002 0.000 0.183 476 N C 1.971 177.422 175.510 -0.099 0.000 1.017 476 N CA 1.536 54.455 53.050 -0.218 0.000 0.861 476 N CB 0.021 38.449 38.487 -0.098 0.000 0.986 476 N HN 0.592 nan 8.380 nan 0.000 0.428 477 Q N -0.312 119.422 119.800 -0.110 0.000 2.030 477 Q HA -0.132 4.209 4.340 0.002 0.000 0.204 477 Q C 2.100 178.092 176.000 -0.015 0.000 0.986 477 Q CA 2.521 58.300 55.803 -0.041 0.000 0.843 477 Q CB -0.201 28.519 28.738 -0.029 0.000 0.904 477 Q HN 0.610 nan 8.270 nan 0.000 0.420 478 T N -0.673 113.897 114.554 0.026 0.000 2.904 478 T HA -0.105 4.246 4.350 0.002 0.000 0.267 478 T C 1.803 176.441 174.700 -0.104 0.000 1.059 478 T CA 0.783 62.917 62.100 0.056 0.000 1.137 478 T CB -0.332 68.673 68.868 0.229 0.000 0.879 478 T HN 0.148 nan 8.240 nan 0.000 0.467 479 L N 1.370 122.495 121.223 -0.162 0.000 1.990 479 L HA -0.084 4.258 4.340 0.002 0.000 0.213 479 L C 2.851 179.635 176.870 -0.144 0.000 1.072 479 L CA 1.815 56.371 54.840 -0.473 0.000 0.755 479 L CB -0.529 41.346 42.059 -0.308 0.000 0.889 479 L HN 0.143 nan 8.230 nan 0.000 0.432 480 R N -0.663 119.839 120.500 0.003 0.000 2.097 480 R HA -0.252 4.089 4.340 0.002 0.000 0.236 480 R C 2.273 178.642 176.300 0.115 0.000 1.135 480 R CA 1.814 57.993 56.100 0.131 0.000 0.934 480 R CB -0.643 29.659 30.300 0.003 0.000 0.846 480 R HN 0.436 nan 8.270 nan 0.000 0.431 481 E N 1.039 121.246 120.200 0.013 0.000 2.070 481 E HA -0.190 4.162 4.350 0.002 0.000 0.197 481 E C 1.594 178.171 176.600 -0.039 0.000 1.004 481 E CA 1.643 58.041 56.400 -0.003 0.000 0.805 481 E CB -0.004 29.691 29.700 -0.009 0.000 0.744 481 E HN 0.221 nan 8.360 nan 0.000 0.451 482 R N 0.020 120.460 120.500 -0.101 0.000 2.310 482 R HA 0.138 4.479 4.340 0.002 0.000 0.202 482 R C 0.013 176.184 176.300 -0.214 0.000 0.933 482 R CA 0.481 56.494 56.100 -0.145 0.000 1.054 482 R CB -0.052 30.139 30.300 -0.181 0.000 0.985 482 R HN 0.233 nan 8.270 nan 0.000 0.489 483 Q N 0.527 120.191 119.800 -0.227 0.000 2.453 483 Q HA -0.175 4.166 4.340 0.002 0.000 0.330 483 Q C -0.036 175.602 176.000 -0.603 0.000 1.417 483 Q CA 0.290 55.795 55.803 -0.497 0.000 0.902 483 Q CB -1.434 27.072 28.738 -0.386 0.000 1.154 483 Q HN 0.451 nan 8.270 nan 0.000 0.395 484 L N -0.348 120.544 121.223 -0.552 0.000 2.728 484 L HA 0.167 4.508 4.340 0.002 0.000 0.238 484 L C 0.584 177.192 176.870 -0.437 0.000 1.143 484 L CA -0.378 54.158 54.840 -0.506 0.000 0.937 484 L CB -0.106 41.582 42.059 -0.619 0.000 1.225 484 L HN 0.344 nan 8.230 nan 0.000 0.507 485 Y N -1.769 118.382 120.300 -0.249 0.000 2.304 485 Y HA 0.434 4.985 4.550 0.002 0.000 0.327 485 Y C 0.735 176.595 175.900 -0.067 0.000 1.209 485 Y CA -1.315 56.697 58.100 -0.147 0.000 1.299 485 Y CB -0.263 38.153 38.460 -0.074 0.000 1.249 485 Y HN -0.191 nan 8.280 nan 0.000 0.519 486 T N 5.077 119.736 114.554 0.175 0.000 2.902 486 T HA 0.064 4.415 4.350 0.002 0.000 0.301 486 T C 0.258 175.137 174.700 0.298 0.000 1.012 486 T CA -0.601 61.574 62.100 0.126 0.000 1.151 486 T CB 0.091 69.006 68.868 0.079 0.000 0.946 486 T HN 0.452 nan 8.240 nan 0.000 0.542 487 K N 2.914 123.424 120.400 0.182 0.000 2.140 487 K HA 0.134 4.455 4.320 0.002 0.000 0.237 487 K C 1.042 177.828 176.600 0.311 0.000 1.045 487 K CA -0.579 55.864 56.287 0.260 0.000 0.896 487 K CB 0.235 32.820 32.500 0.142 0.000 1.122 487 K HN 0.642 nan 8.250 nan 0.000 0.503 488 N N 0.602 119.493 118.700 0.319 0.000 2.376 488 N HA 0.023 4.764 4.740 0.002 0.000 0.249 488 N C -0.887 174.865 175.510 0.403 0.000 1.140 488 N CA -0.186 53.129 53.050 0.441 0.000 0.870 488 N CB 0.016 38.697 38.487 0.324 0.000 1.124 488 N HN 0.232 nan 8.380 nan 0.000 0.505 489 D N 0.437 121.015 120.400 0.297 0.000 2.283 489 D HA 0.392 5.033 4.640 0.002 0.000 0.248 489 D C 0.148 176.598 176.300 0.249 0.000 1.072 489 D CA 0.037 54.154 54.000 0.195 0.000 0.929 489 D CB 1.659 42.523 40.800 0.106 0.000 1.182 489 D HN 0.424 nan 8.370 nan 0.000 0.433 490 S N -0.299 115.480 115.700 0.131 0.000 2.588 490 S HA 0.338 4.809 4.470 0.002 0.000 0.269 490 S C 0.189 174.819 174.600 0.050 0.000 1.157 490 S CA -0.842 57.422 58.200 0.106 0.000 0.824 490 S CB 0.699 63.954 63.200 0.093 0.000 1.126 490 S HN 0.313 nan 8.310 nan 0.000 0.464 491 L N 0.993 122.257 121.223 0.067 0.000 2.591 491 L HA 0.204 4.545 4.340 0.002 0.000 0.228 491 L C 1.997 178.920 176.870 0.088 0.000 1.133 491 L CA 0.995 55.895 54.840 0.100 0.000 0.880 491 L CB -0.165 42.004 42.059 0.184 0.000 1.033 491 L HN 1.001 nan 8.230 nan 0.000 0.450 492 T N -2.255 112.315 114.554 0.027 0.000 3.043 492 T HA 0.188 4.539 4.350 0.002 0.000 0.272 492 T C 1.241 175.911 174.700 -0.050 0.000 0.990 492 T CA 0.549 62.653 62.100 0.007 0.000 0.897 492 T CB 0.358 69.202 68.868 -0.041 0.000 1.111 492 T HN 0.397 nan 8.240 nan 0.000 0.529 493 G N 2.079 110.830 108.800 -0.082 0.000 2.198 493 G HA2 -0.238 3.724 3.960 0.002 0.000 0.260 493 G HA3 -0.238 3.724 3.960 0.002 0.000 0.260 493 G C 0.056 174.830 174.900 -0.210 0.000 1.025 493 G CA 0.430 45.459 45.100 -0.118 0.000 0.769 493 G HN 0.713 nan 8.290 nan 0.000 0.507 494 T N 0.454 114.808 114.554 -0.332 0.000 2.851 494 T HA 0.397 4.748 4.350 0.002 0.000 0.298 494 T C 0.042 174.288 174.700 -0.755 0.000 0.977 494 T CA 0.224 62.030 62.100 -0.490 0.000 1.126 494 T CB 1.740 70.289 68.868 -0.530 0.000 0.916 494 T HN 0.263 nan 8.240 nan 0.000 0.529 495 D N 1.822 121.917 120.400 -0.508 0.000 2.456 495 D HA 0.240 4.881 4.640 0.002 0.000 0.219 495 D C 0.163 176.246 176.300 -0.363 0.000 1.126 495 D CA -0.917 52.836 54.000 -0.413 0.000 0.890 495 D CB 0.016 40.691 40.800 -0.209 0.000 1.025 495 D HN 0.350 nan 8.370 nan 0.000 0.511 496 F N 2.309 122.175 119.950 -0.140 0.000 2.502 496 F HA 0.264 4.792 4.527 0.002 0.000 0.298 496 F C 1.840 177.537 175.800 -0.172 0.000 1.111 496 F CA 0.791 58.664 58.000 -0.212 0.000 1.445 496 F CB -0.462 38.355 39.000 -0.305 0.000 1.081 496 F HN 0.515 nan 8.300 nan 0.000 0.558 497 G N 0.093 108.895 108.800 0.003 0.000 2.381 497 G HA2 0.279 4.240 3.960 0.002 0.000 0.672 497 G HA3 0.279 4.240 3.960 0.002 0.000 0.672 497 G C -1.564 173.312 174.900 -0.041 0.000 1.324 497 G CA -0.634 44.455 45.100 -0.019 0.000 0.975 497 G HN 0.103 nan 8.290 nan 0.000 0.593 498 M N 0.080 119.657 119.600 -0.037 0.000 2.562 498 M HA 0.765 5.246 4.480 0.002 0.000 0.281 498 M C -0.108 176.176 176.300 -0.027 0.000 1.195 498 M CA 0.247 55.528 55.300 -0.032 0.000 0.888 498 M CB 1.874 34.460 32.600 -0.024 0.000 1.731 498 M HN 1.972 nan 8.290 nan 0.000 0.493 499 T N -1.361 113.179 114.554 -0.023 0.000 2.907 499 T HA 0.570 4.922 4.350 0.002 0.000 0.290 499 T C -0.004 174.688 174.700 -0.014 0.000 1.066 499 T CA -0.594 61.497 62.100 -0.015 0.000 1.012 499 T CB 1.226 70.090 68.868 -0.007 0.000 1.184 499 T HN 0.593 nan 8.240 nan 0.000 0.522 500 D N 0.211 120.605 120.400 -0.009 0.000 2.309 500 D HA -0.035 4.606 4.640 0.002 0.000 0.212 500 D C 1.373 177.667 176.300 -0.011 0.000 0.968 500 D CA 0.854 54.849 54.000 -0.009 0.000 0.882 500 D CB -0.043 40.754 40.800 -0.005 0.000 0.918 500 D HN 0.525 nan 8.370 nan 0.000 0.503 501 D N -0.151 120.242 120.400 -0.011 0.000 2.144 501 D HA 0.029 4.670 4.640 0.002 0.000 0.200 501 D C 1.535 177.815 176.300 -0.033 0.000 0.978 501 D CA 1.293 55.284 54.000 -0.016 0.000 0.833 501 D CB -0.082 40.711 40.800 -0.010 0.000 0.961 501 D HN 0.257 nan 8.370 nan 0.000 0.470 502 G N 0.913 109.688 108.800 -0.042 0.000 2.645 502 G HA2 -0.235 3.726 3.960 0.002 0.000 0.239 502 G HA3 -0.235 3.726 3.960 0.002 0.000 0.239 502 G C -2.534 172.292 174.900 -0.123 0.000 1.331 502 G CA -0.688 44.374 45.100 -0.064 0.000 0.890 502 G HN 0.079 nan 8.290 nan 0.000 0.572 503 P HA 0.254 nan 4.420 nan 0.000 0.269 503 P C 1.139 178.397 177.300 -0.071 0.000 1.209 503 P CA 0.623 63.639 63.100 -0.139 0.000 0.776 503 P CB 0.873 32.434 31.700 -0.231 0.000 0.876 504 S N 0.370 116.061 115.700 -0.016 0.000 2.474 504 S HA -0.151 4.320 4.470 0.002 0.000 0.235 504 S C 0.997 175.619 174.600 0.037 0.000 0.997 504 S CA 1.153 59.356 58.200 0.005 0.000 0.949 504 S CB -0.771 62.435 63.200 0.009 0.000 0.766 504 S HN 0.597 nan 8.310 nan 0.000 0.517 505 D N 1.183 121.628 120.400 0.075 0.000 2.424 505 D HA 0.431 5.072 4.640 0.002 0.000 0.220 505 D C 0.204 176.638 176.300 0.224 0.000 1.150 505 D CA -0.200 53.883 54.000 0.139 0.000 0.831 505 D CB 0.051 40.945 40.800 0.156 0.000 0.981 505 D HN 0.445 nan 8.370 nan 0.000 0.500 506 A N 0.238 123.132 122.820 0.123 0.000 2.325 506 A HA 0.472 4.793 4.320 0.002 0.000 0.333 506 A C -1.212 176.483 177.584 0.185 0.000 1.155 506 A CA -0.869 51.242 52.037 0.122 0.000 0.814 506 A CB 0.843 19.624 19.000 -0.364 0.000 1.206 506 A HN 0.270 nan 8.150 nan 0.000 0.482 507 Y N 2.079 122.495 120.300 0.193 0.000 2.436 507 Y HA 0.469 5.020 4.550 0.002 0.000 0.336 507 Y C -0.351 175.670 175.900 0.201 0.000 1.049 507 Y CA 0.261 58.481 58.100 0.201 0.000 1.294 507 Y CB 0.245 38.832 38.460 0.212 0.000 1.179 507 Y HN 0.462 nan 8.280 nan 0.000 0.520 508 I N 7.200 127.756 120.570 -0.023 0.000 2.390 508 I HA 0.376 4.547 4.170 0.002 0.000 0.283 508 I C 0.570 176.720 176.117 0.056 0.000 1.016 508 I CA -0.496 60.860 61.300 0.093 0.000 1.151 508 I CB 1.079 39.078 38.000 -0.002 0.000 1.293 508 I HN 0.754 nan 8.210 nan 0.000 0.458 509 G N 3.537 112.596 108.800 0.432 0.000 2.531 509 G HA2 0.478 4.439 3.960 0.002 0.000 0.313 509 G HA3 0.478 4.439 3.960 0.002 0.000 0.313 509 G C -1.508 173.523 174.900 0.218 0.000 1.238 509 G CA -0.219 45.087 45.100 0.344 0.000 0.994 509 G HN 0.616 nan 8.290 nan 0.000 0.493 510 H N -1.651 117.418 119.070 -0.001 0.000 2.768 510 H HA 0.659 5.216 4.556 0.002 0.000 0.371 510 H C -1.229 174.018 175.328 -0.135 0.000 1.151 510 H CA -0.587 55.417 56.048 -0.073 0.000 1.165 510 H CB 1.817 31.529 29.762 -0.084 0.000 1.722 510 H HN 0.297 nan 8.280 nan 0.000 0.543 511 L N 3.308 124.202 121.223 -0.549 0.000 2.356 511 L HA 0.302 4.644 4.340 0.002 0.000 0.277 511 L C -1.006 175.667 176.870 -0.329 0.000 0.996 511 L CA -0.474 54.088 54.840 -0.463 0.000 0.822 511 L CB 1.818 43.424 42.059 -0.755 0.000 1.256 511 L HN 0.634 nan 8.230 nan 0.000 0.413 512 D N 1.267 121.578 120.400 -0.149 0.000 2.446 512 D HA 0.225 4.866 4.640 0.002 0.000 0.251 512 D C 0.146 176.447 176.300 0.001 0.000 1.137 512 D CA -0.233 53.781 54.000 0.023 0.000 0.890 512 D CB 0.706 41.586 40.800 0.133 0.000 1.071 512 D HN 0.339 nan 8.370 nan 0.000 0.528 513 Y N 2.239 122.583 120.300 0.073 0.000 2.516 513 Y HA 0.257 4.808 4.550 0.002 0.000 0.291 513 Y C 1.635 177.646 175.900 0.185 0.000 1.131 513 Y CA 0.935 59.133 58.100 0.163 0.000 1.281 513 Y CB 0.405 39.008 38.460 0.238 0.000 1.013 513 Y HN 0.594 nan 8.280 nan 0.000 0.554 514 G N -1.196 107.761 108.800 0.262 0.000 2.784 514 G HA2 0.278 4.239 3.960 0.002 0.000 0.686 514 G HA3 0.278 4.239 3.960 0.002 0.000 0.686 514 G C 0.237 175.238 174.900 0.167 0.000 1.156 514 G CA -0.585 44.632 45.100 0.195 0.000 0.757 514 G HN 0.875 nan 8.290 nan 0.000 0.642 515 G N -0.405 108.463 108.800 0.113 0.000 2.182 515 G HA2 0.423 4.385 3.960 0.002 0.000 0.248 515 G HA3 0.423 4.385 3.960 0.002 0.000 0.248 515 G C 1.897 176.829 174.900 0.053 0.000 1.042 515 G CA 0.992 46.132 45.100 0.067 0.000 0.775 515 G HN 3.166 nan 8.290 nan 0.000 0.501 516 G N -2.531 106.313 108.800 0.073 0.000 2.225 516 G HA2 -0.010 3.951 3.960 0.002 0.000 0.254 516 G HA3 -0.010 3.951 3.960 0.002 0.000 0.254 516 G C 0.976 175.917 174.900 0.069 0.000 0.988 516 G CA 1.130 46.268 45.100 0.063 0.000 0.625 516 G HN 2.247 nan 8.290 nan 0.000 0.527 517 V N 0.138 120.105 119.914 0.087 0.000 2.287 517 V HA 0.697 4.818 4.120 0.002 0.000 0.246 517 V C 0.007 176.194 176.094 0.154 0.000 1.165 517 V CA 0.241 62.596 62.300 0.092 0.000 1.088 517 V CB -0.010 31.857 31.823 0.072 0.000 1.242 517 V HN 0.863 nan 8.190 nan 0.000 0.497 518 E N 3.911 124.165 120.200 0.089 0.000 2.430 518 E HA 0.814 5.165 4.350 0.002 0.000 0.279 518 E C -1.113 175.425 176.600 -0.103 0.000 1.003 518 E CA -0.860 55.550 56.400 0.017 0.000 0.801 518 E CB 2.235 31.994 29.700 0.098 0.000 1.313 518 E HN 0.879 nan 8.360 nan 0.000 0.459 519 C N -0.085 118.987 119.300 -0.380 0.000 3.241 519 C HA 0.553 5.014 4.460 0.002 0.000 0.348 519 C C -1.079 173.619 174.990 -0.487 0.000 1.180 519 C CA -1.021 57.824 59.018 -0.288 0.000 1.273 519 C CB 0.883 28.564 27.740 -0.099 0.000 1.620 519 C HN 0.775 nan 8.230 nan 0.000 0.510 520 D N 1.298 121.626 120.400 -0.120 0.000 2.362 520 D HA 0.595 5.236 4.640 0.002 0.000 0.242 520 D C 0.265 176.531 176.300 -0.057 0.000 1.132 520 D CA 0.751 54.758 54.000 0.011 0.000 0.907 520 D CB 1.479 42.334 40.800 0.092 0.000 1.195 520 D HN 1.178 nan 8.370 nan 0.000 0.429 521 A N 1.142 123.926 122.820 -0.060 0.000 2.556 521 A HA 0.693 5.015 4.320 0.002 0.000 0.294 521 A C -0.962 176.487 177.584 -0.225 0.000 1.091 521 A CA -0.714 51.223 52.037 -0.166 0.000 0.704 521 A CB 1.092 19.895 19.000 -0.329 0.000 1.300 521 A HN 0.454 nan 8.150 nan 0.000 0.406 522 L N -0.193 120.857 121.223 -0.289 0.000 2.331 522 L HA 0.775 5.116 4.340 0.002 0.000 0.268 522 L C -1.158 175.409 176.870 -0.504 0.000 1.015 522 L CA -0.593 54.135 54.840 -0.187 0.000 0.807 522 L CB 1.408 43.424 42.059 -0.071 0.000 1.293 522 L HN 0.695 nan 8.230 nan 0.000 0.451 523 F N -0.387 119.630 119.950 0.113 0.000 2.578 523 F HA 0.447 4.976 4.527 0.002 0.000 0.311 523 F C -2.387 173.368 175.800 -0.075 0.000 1.094 523 F CA -2.389 55.644 58.000 0.055 0.000 0.923 523 F CB 1.515 40.539 39.000 0.041 0.000 1.230 523 F HN 0.132 nan 8.300 nan 0.000 0.450 524 P HA 0.010 nan 4.420 nan 0.000 0.271 524 P C -0.631 176.278 177.300 -0.650 0.000 1.216 524 P CA -0.039 62.674 63.100 -0.645 0.000 0.771 524 P CB 0.604 31.456 31.700 -1.413 0.000 0.864 525 D N 2.608 122.764 120.400 -0.407 0.000 2.558 525 D HA 0.048 4.689 4.640 0.002 0.000 0.221 525 D C 0.482 176.666 176.300 -0.194 0.000 1.143 525 D CA -0.218 53.640 54.000 -0.236 0.000 1.010 525 D CB -0.375 40.320 40.800 -0.174 0.000 1.068 525 D HN 0.310 nan 8.370 nan 0.000 0.511 526 W N 1.966 123.241 121.300 -0.043 0.000 2.341 526 W HA -0.103 4.558 4.660 0.001 0.000 0.283 526 W C 2.418 178.900 176.519 -0.062 0.000 1.215 526 W CA 0.709 58.002 57.345 -0.086 0.000 1.211 526 W CB -0.259 29.094 29.460 -0.178 0.000 1.131 526 W HN 0.438 nan 8.180 nan 0.000 0.552 527 G N 0.535 109.420 108.800 0.141 0.000 2.470 527 G HA2 -0.167 3.794 3.960 0.002 0.000 0.220 527 G HA3 -0.167 3.794 3.960 0.002 0.000 0.220 527 G C 0.715 175.649 174.900 0.057 0.000 1.121 527 G CA -0.197 44.953 45.100 0.082 0.000 0.766 527 G HN 0.126 nan 8.290 nan 0.000 0.553 528 R N 0.967 121.482 120.500 0.025 0.000 2.489 528 R HA 0.136 4.477 4.340 0.002 0.000 0.287 528 R C -1.342 174.984 176.300 0.043 0.000 1.053 528 R CA -1.033 55.072 56.100 0.007 0.000 1.036 528 R CB 0.750 31.021 30.300 -0.048 0.000 0.966 528 R HN 0.110 nan 8.270 nan 0.000 0.432 529 P HA -0.178 nan 4.420 nan 0.000 0.231 529 P C 0.168 177.506 177.300 0.064 0.000 1.158 529 P CA 1.048 64.185 63.100 0.061 0.000 0.763 529 P CB 0.320 32.051 31.700 0.051 0.000 0.805 530 D N -0.281 120.145 120.400 0.043 0.000 2.183 530 D HA -0.057 4.584 4.640 0.002 0.000 0.205 530 D C 1.959 178.310 176.300 0.085 0.000 0.962 530 D CA 0.626 54.650 54.000 0.039 0.000 0.849 530 D CB 0.040 40.828 40.800 -0.020 0.000 0.978 530 D HN -0.070 nan 8.370 nan 0.000 0.488 531 V N 1.507 121.471 119.914 0.083 0.000 2.358 531 V HA -0.187 3.934 4.120 0.002 0.000 0.246 531 V C 2.713 179.020 176.094 0.355 0.000 1.047 531 V CA 1.622 64.010 62.300 0.147 0.000 1.035 531 V CB -0.846 30.975 31.823 -0.003 0.000 0.658 531 V HN 0.176 nan 8.190 nan 0.000 0.452 532 A N 0.649 123.654 122.820 0.309 0.000 1.892 532 A HA -0.338 3.983 4.320 0.002 0.000 0.218 532 A C 2.215 179.996 177.584 0.329 0.000 1.188 532 A CA 2.464 54.714 52.037 0.354 0.000 0.631 532 A CB -0.615 18.516 19.000 0.219 0.000 0.822 532 A HN 0.668 nan 8.150 nan 0.000 0.447 533 E N -1.073 119.272 120.200 0.240 0.000 2.058 533 E HA -0.261 4.090 4.350 0.002 0.000 0.194 533 E C 1.778 178.501 176.600 0.205 0.000 0.997 533 E CA 1.930 58.439 56.400 0.181 0.000 0.801 533 E CB -0.642 29.143 29.700 0.141 0.000 0.746 533 E HN 0.731 nan 8.360 nan 0.000 0.450 534 W N 0.328 121.685 121.300 0.094 0.000 2.388 534 W HA -0.118 4.543 4.660 0.002 0.000 0.294 534 W C 2.066 178.651 176.519 0.110 0.000 1.212 534 W CA 1.656 59.040 57.345 0.065 0.000 1.271 534 W CB -0.533 28.953 29.460 0.045 0.000 1.126 534 W HN 0.295 nan 8.180 nan 0.000 0.535 535 W N 1.246 122.536 121.300 -0.018 0.000 2.378 535 W HA -0.083 4.578 4.660 0.002 0.000 0.313 535 W C 2.082 178.503 176.519 -0.163 0.000 1.197 535 W CA 1.917 59.126 57.345 -0.228 0.000 1.304 535 W CB -0.935 28.732 29.460 0.346 0.000 1.148 535 W HN 0.014 nan 8.180 nan 0.000 0.494 536 G N 0.842 109.636 108.800 -0.009 0.000 2.432 536 G HA2 -0.329 3.632 3.960 0.002 0.000 0.219 536 G HA3 -0.329 3.632 3.960 0.002 0.000 0.219 536 G C 1.388 176.178 174.900 -0.184 0.000 1.135 536 G CA 0.900 45.940 45.100 -0.101 0.000 0.767 536 G HN 0.233 nan 8.290 nan 0.000 0.550 537 N N 0.990 119.530 118.700 -0.267 0.000 2.289 537 N HA -0.084 4.657 4.740 0.002 0.000 0.184 537 N C 1.839 177.051 175.510 -0.497 0.000 1.016 537 N CA 0.581 53.453 53.050 -0.297 0.000 0.872 537 N CB -0.161 38.177 38.487 -0.249 0.000 0.973 537 N HN 0.210 nan 8.380 nan 0.000 0.433 538 N N 0.167 118.340 118.700 -0.878 0.000 2.223 538 N HA -0.125 4.616 4.740 0.002 0.000 0.185 538 N C 1.323 176.044 175.510 -1.315 0.000 1.016 538 N CA 0.680 52.893 53.050 -1.395 0.000 0.863 538 N CB -0.452 36.546 38.487 -2.481 0.000 0.983 538 N HN 0.433 nan 8.380 nan 0.000 0.429 539 Y N 1.488 121.195 120.300 -0.989 0.000 2.421 539 Y HA -0.035 4.516 4.550 0.001 0.000 0.292 539 Y C 2.183 177.684 175.900 -0.666 0.000 1.136 539 Y CA 0.786 58.410 58.100 -0.793 0.000 1.255 539 Y CB 0.026 38.048 38.460 -0.730 0.000 0.991 539 Y HN -0.007 nan 8.280 nan 0.000 0.552 540 K N 0.540 120.791 120.400 -0.248 0.000 2.113 540 K HA -0.230 4.091 4.320 0.002 0.000 0.208 540 K C 1.727 178.263 176.600 -0.106 0.000 1.047 540 K CA 1.680 57.916 56.287 -0.085 0.000 0.928 540 K CB -0.166 32.287 32.500 -0.078 0.000 0.716 540 K HN 0.374 nan 8.250 nan 0.000 0.446 541 K N 0.352 120.626 120.400 -0.211 0.000 2.283 541 K HA -0.086 4.235 4.320 0.002 0.000 0.202 541 K C 1.894 178.464 176.600 -0.049 0.000 1.048 541 K CA 0.863 57.081 56.287 -0.115 0.000 0.948 541 K CB 0.065 32.473 32.500 -0.153 0.000 0.742 541 K HN 0.122 nan 8.250 nan 0.000 0.458 542 L N -1.044 120.083 121.223 -0.160 0.000 2.286 542 L HA 0.058 4.399 4.340 0.002 0.000 0.203 542 L C 1.769 178.609 176.870 -0.051 0.000 1.068 542 L CA 0.173 54.928 54.840 -0.142 0.000 0.811 542 L CB -0.142 41.721 42.059 -0.327 0.000 0.989 542 L HN -0.021 nan 8.230 nan 0.000 0.467 543 F N 0.782 120.724 119.950 -0.014 0.000 2.202 543 F HA -0.203 4.325 4.527 0.001 0.000 0.301 543 F C 2.844 178.670 175.800 0.044 0.000 1.082 543 F CA 1.249 59.253 58.000 0.005 0.000 1.313 543 F CB -1.293 37.721 39.000 0.024 0.000 1.024 543 F HN 0.152 nan 8.300 nan 0.000 0.495 544 S N 0.276 116.104 115.700 0.214 0.000 2.607 544 S HA -0.002 4.469 4.470 0.002 0.000 0.224 544 S C 1.286 175.998 174.600 0.187 0.000 0.969 544 S CA 0.532 58.835 58.200 0.171 0.000 0.927 544 S CB -1.180 62.094 63.200 0.123 0.000 0.772 544 S HN 0.581 nan 8.310 nan 0.000 0.533 545 I N -3.582 117.110 120.570 0.203 0.000 3.936 545 I HA 0.674 4.845 4.170 0.002 0.000 0.330 545 I C 1.073 177.319 176.117 0.215 0.000 1.509 545 I CA -0.119 61.311 61.300 0.216 0.000 1.126 545 I CB 0.042 38.196 38.000 0.257 0.000 1.115 545 I HN 0.253 nan 8.210 nan 0.000 0.424 546 G N 1.780 110.703 108.800 0.205 0.000 2.176 546 G HA2 -0.251 3.710 3.960 0.002 0.000 0.232 546 G HA3 -0.251 3.710 3.960 0.002 0.000 0.232 546 G C -0.083 174.852 174.900 0.059 0.000 0.986 546 G CA 0.027 45.239 45.100 0.187 0.000 0.643 546 G HN 0.404 nan 8.290 nan 0.000 0.522 547 L N 1.526 122.649 121.223 -0.167 0.000 2.525 547 L HA 0.394 4.735 4.340 0.002 0.000 0.278 547 L C 1.047 177.942 176.870 0.041 0.000 1.218 547 L CA 1.064 55.576 54.840 -0.548 0.000 0.878 547 L CB 0.466 42.088 42.059 -0.729 0.000 1.127 547 L HN 0.222 nan 8.230 nan 0.000 0.492 548 D N 4.269 124.704 120.400 0.058 0.000 2.414 548 D HA 0.105 4.746 4.640 0.002 0.000 0.237 548 D C 0.096 176.645 176.300 0.415 0.000 0.975 548 D CA 1.356 55.510 54.000 0.257 0.000 0.917 548 D CB 0.217 41.148 40.800 0.218 0.000 1.061 548 D HN 0.500 nan 8.370 nan 0.000 0.480 549 F N -0.029 119.980 119.950 0.099 0.000 2.726 549 F HA 0.587 5.114 4.527 0.001 0.000 0.324 549 F C -0.954 174.899 175.800 0.089 0.000 1.140 549 F CA -1.390 56.704 58.000 0.157 0.000 0.964 549 F CB 1.422 40.546 39.000 0.206 0.000 1.399 549 F HN -0.203 nan 8.300 nan 0.000 0.491 550 V N -0.907 119.002 119.914 -0.009 0.000 3.001 550 V HA 0.793 4.914 4.120 0.002 0.000 0.314 550 V C -1.903 174.110 176.094 -0.135 0.000 1.099 550 V CA -0.924 61.282 62.300 -0.157 0.000 0.989 550 V CB 1.675 33.516 31.823 0.030 0.000 1.040 550 V HN 1.221 nan 8.190 nan 0.000 0.434 551 W N 2.486 123.599 121.300 -0.311 0.000 2.739 551 W HA 0.761 5.422 4.660 0.002 0.000 0.331 551 W C -0.965 175.491 176.519 -0.104 0.000 1.049 551 W CA -0.847 56.344 57.345 -0.256 0.000 1.234 551 W CB 1.612 30.793 29.460 -0.465 0.000 1.404 551 W HN 0.617 nan 8.180 nan 0.000 0.477 552 Q N 4.167 124.092 119.800 0.207 0.000 2.279 552 Q HA 0.228 4.569 4.340 0.002 0.000 0.256 552 Q C -1.000 175.214 176.000 0.357 0.000 0.937 552 Q CA -0.044 55.859 55.803 0.166 0.000 0.933 552 Q CB 1.807 30.621 28.738 0.126 0.000 1.189 552 Q HN 0.612 nan 8.270 nan 0.000 0.417 553 D N 2.166 122.723 120.400 0.261 0.000 2.423 553 D HA 0.358 4.999 4.640 0.002 0.000 0.235 553 D C 0.175 176.616 176.300 0.235 0.000 1.011 553 D CA -0.510 53.709 54.000 0.365 0.000 0.963 553 D CB 0.876 41.934 40.800 0.430 0.000 1.349 553 D HN 0.295 nan 8.370 nan 0.000 0.508 554 M N 0.868 120.597 119.600 0.214 0.000 2.360 554 M HA -0.167 4.314 4.480 0.002 0.000 0.202 554 M C 0.788 177.192 176.300 0.173 0.000 0.390 554 M CA 0.840 56.253 55.300 0.188 0.000 0.470 554 M CB -3.115 29.663 32.600 0.296 0.000 1.637 554 M HN 0.544 nan 8.290 nan 0.000 0.885 555 T N -4.753 109.882 114.554 0.135 0.000 3.169 555 T HA 0.272 4.624 4.350 0.002 0.000 0.250 555 T C 1.576 176.368 174.700 0.154 0.000 1.111 555 T CA 0.459 62.653 62.100 0.156 0.000 1.010 555 T CB 0.046 68.975 68.868 0.101 0.000 0.984 555 T HN 0.310 nan 8.240 nan 0.000 0.537 556 V N 1.789 121.712 119.914 0.016 0.000 2.287 556 V HA 0.007 4.128 4.120 0.002 0.000 0.248 556 V C -1.328 174.540 176.094 -0.376 0.000 1.053 556 V CA 0.903 63.127 62.300 -0.126 0.000 1.027 556 V CB -1.689 30.002 31.823 -0.220 0.000 0.646 556 V HN 0.502 nan 8.190 nan 0.000 0.447 557 P HA 0.277 nan 4.420 nan 0.000 0.282 557 P C -0.471 176.653 177.300 -0.292 0.000 1.262 557 P CA 0.126 63.067 63.100 -0.266 0.000 0.773 557 P CB 0.982 32.513 31.700 -0.282 0.000 0.879 558 A N 5.531 128.277 122.820 -0.123 0.000 2.540 558 A HA 0.360 4.681 4.320 0.002 0.000 0.239 558 A C 0.351 177.824 177.584 -0.185 0.000 1.061 558 A CA 0.431 52.370 52.037 -0.163 0.000 0.758 558 A CB -0.478 18.478 19.000 -0.073 0.000 0.991 558 A HN 0.570 nan 8.150 nan 0.000 0.502 559 M N 2.201 121.650 119.600 -0.251 0.000 2.593 559 M HA 0.368 4.849 4.480 0.002 0.000 0.290 559 M C -0.128 176.070 176.300 -0.170 0.000 1.244 559 M CA -0.485 54.689 55.300 -0.211 0.000 0.857 559 M CB 2.111 34.554 32.600 -0.262 0.000 1.738 559 M HN 0.822 nan 8.290 nan 0.000 0.461 560 M N 4.387 123.927 119.600 -0.100 0.000 2.248 560 M HA 0.170 4.651 4.480 0.002 0.000 0.345 560 M C -2.053 174.249 176.300 0.003 0.000 1.243 560 M CA -0.995 54.292 55.300 -0.020 0.000 1.090 560 M CB 0.590 33.237 32.600 0.079 0.000 1.683 560 M HN 0.204 nan 8.290 nan 0.000 0.450 561 P HA -0.056 nan 4.420 nan 0.000 0.264 561 P C -1.395 176.048 177.300 0.239 0.000 1.183 561 P CA 0.781 63.944 63.100 0.105 0.000 0.763 561 P CB 0.221 32.090 31.700 0.282 0.000 0.807 562 H N 1.446 120.577 119.070 0.102 0.000 3.029 562 H HA 0.290 4.848 4.556 0.002 0.000 0.358 562 H C -1.289 174.279 175.328 0.400 0.000 1.129 562 H CA -0.802 55.364 56.048 0.196 0.000 1.230 562 H CB 2.105 31.957 29.762 0.150 0.000 1.827 562 H HN 0.355 nan 8.280 nan 0.000 0.530 563 K N 5.851 126.110 120.400 -0.236 0.000 2.206 563 K HA 0.250 4.571 4.320 0.002 0.000 0.264 563 K C 0.005 176.340 176.600 -0.440 0.000 0.967 563 K CA -0.808 55.416 56.287 -0.104 0.000 0.844 563 K CB 0.913 33.248 32.500 -0.276 0.000 1.099 563 K HN 0.415 nan 8.250 nan 0.000 0.441 564 I N 3.505 123.985 120.570 -0.150 0.000 2.826 564 I HA -0.098 4.073 4.170 0.002 0.000 0.295 564 I C 1.509 177.530 176.117 -0.160 0.000 1.213 564 I CA 1.829 63.013 61.300 -0.193 0.000 1.436 564 I CB -0.116 37.800 38.000 -0.140 0.000 1.348 564 I HN 1.136 nan 8.210 nan 0.000 0.570 565 G N 5.200 113.936 108.800 -0.107 0.000 2.234 565 G HA2 -0.197 3.764 3.960 0.002 0.000 0.235 565 G HA3 -0.197 3.764 3.960 0.002 0.000 0.235 565 G C 0.154 175.017 174.900 -0.060 0.000 0.997 565 G CA -0.161 44.892 45.100 -0.079 0.000 0.623 565 G HN 0.537 nan 8.290 nan 0.000 0.514 566 D N 1.599 121.947 120.400 -0.088 0.000 2.354 566 D HA 0.474 5.115 4.640 0.002 0.000 0.247 566 D C 0.311 176.694 176.300 0.137 0.000 1.138 566 D CA -0.398 53.588 54.000 -0.024 0.000 0.958 566 D CB 0.459 41.204 40.800 -0.092 0.000 1.144 566 D HN 0.141 nan 8.370 nan 0.000 0.458 567 D N 0.272 120.721 120.400 0.082 0.000 2.423 567 D HA 0.020 4.661 4.640 0.002 0.000 0.238 567 D C 1.598 177.952 176.300 0.089 0.000 1.142 567 D CA -0.081 53.955 54.000 0.059 0.000 0.884 567 D CB 0.726 41.520 40.800 -0.009 0.000 1.199 567 D HN 0.281 nan 8.370 nan 0.000 0.438 568 I N 1.328 121.866 120.570 -0.053 0.000 2.315 568 I HA -0.310 3.861 4.170 0.002 0.000 0.251 568 I C 1.736 177.646 176.117 -0.345 0.000 1.125 568 I CA 1.052 62.200 61.300 -0.254 0.000 1.392 568 I CB -0.252 37.644 38.000 -0.174 0.000 1.065 568 I HN 0.379 nan 8.210 nan 0.000 0.424 569 N N 0.549 119.011 118.700 -0.396 0.000 2.322 569 N HA 0.012 4.753 4.740 0.002 0.000 0.194 569 N C -0.128 175.213 175.510 -0.282 0.000 1.126 569 N CA 0.163 52.786 53.050 -0.713 0.000 0.845 569 N CB -0.073 38.055 38.487 -0.599 0.000 0.976 569 N HN 0.066 nan 8.380 nan 0.000 0.475 570 V N 1.163 121.029 119.914 -0.080 0.000 2.398 570 V HA 0.261 4.382 4.120 0.002 0.000 0.286 570 V C 0.050 176.203 176.094 0.099 0.000 1.026 570 V CA -0.873 61.435 62.300 0.013 0.000 0.868 570 V CB 1.346 33.180 31.823 0.017 0.000 0.982 570 V HN 0.106 nan 8.190 nan 0.000 0.443 571 K N 5.530 125.978 120.400 0.080 0.000 2.118 571 K HA 0.558 4.879 4.320 0.002 0.000 0.267 571 K C -2.495 174.159 176.600 0.089 0.000 0.991 571 K CA -1.478 54.882 56.287 0.121 0.000 0.916 571 K CB 0.625 33.195 32.500 0.116 0.000 1.041 571 K HN 0.398 nan 8.250 nan 0.000 0.455 572 P HA -0.027 nan 4.420 nan 0.000 0.275 572 P C -0.721 176.645 177.300 0.109 0.000 1.266 572 P CA -0.506 62.635 63.100 0.068 0.000 0.793 572 P CB 0.417 32.230 31.700 0.189 0.000 1.074 573 D N -0.266 120.187 120.400 0.088 0.000 2.472 573 D HA -0.036 4.605 4.640 0.002 0.000 0.237 573 D C 1.550 177.963 176.300 0.188 0.000 1.141 573 D CA 0.527 54.600 54.000 0.121 0.000 0.875 573 D CB 0.878 41.743 40.800 0.110 0.000 1.192 573 D HN 0.482 nan 8.370 nan 0.000 0.450 574 G N 3.607 112.512 108.800 0.174 0.000 2.479 574 G HA2 -0.270 3.691 3.960 0.002 0.000 0.220 574 G HA3 -0.270 3.691 3.960 0.002 0.000 0.220 574 G C 1.338 176.432 174.900 0.323 0.000 1.115 574 G CA 0.179 45.412 45.100 0.223 0.000 0.757 574 G HN 0.525 nan 8.290 nan 0.000 0.560 575 N N -1.033 117.846 118.700 0.298 0.000 2.463 575 N HA 0.016 4.757 4.740 0.002 0.000 0.181 575 N C -0.162 175.467 175.510 0.198 0.000 1.078 575 N CA 0.018 53.270 53.050 0.337 0.000 0.902 575 N CB 0.167 38.831 38.487 0.296 0.000 0.970 575 N HN 0.508 nan 8.380 nan 0.000 0.451 576 W N 3.273 124.557 121.300 -0.028 0.000 2.469 576 W HA 0.385 5.046 4.660 0.002 0.000 0.320 576 W C -2.239 174.030 176.519 -0.416 0.000 1.086 576 W CA -1.690 55.558 57.345 -0.163 0.000 1.211 576 W CB 1.160 30.542 29.460 -0.130 0.000 1.298 576 W HN -0.106 nan 8.180 nan 0.000 0.525 577 P HA 0.348 nan 4.420 nan 0.000 0.279 577 P C -1.470 175.416 177.300 -0.689 0.000 1.276 577 P CA -0.263 61.822 63.100 -1.692 0.000 0.801 577 P CB 1.762 32.371 31.700 -1.819 0.000 1.127 578 N N -2.659 115.755 118.700 -0.477 0.000 3.106 578 N HA 0.448 5.189 4.740 0.002 0.000 0.253 578 N C 0.615 175.999 175.510 -0.211 0.000 1.506 578 N CA -0.673 52.213 53.050 -0.274 0.000 0.876 578 N CB -0.259 38.118 38.487 -0.183 0.000 1.452 578 N HN 0.173 nan 8.380 nan 0.000 0.542 579 A N -0.517 122.147 122.820 -0.260 0.000 1.908 579 A HA -0.161 4.160 4.320 0.002 0.000 0.218 579 A C 1.063 178.602 177.584 -0.075 0.000 1.181 579 A CA 1.859 53.760 52.037 -0.228 0.000 0.627 579 A CB -0.874 17.824 19.000 -0.504 0.000 0.818 579 A HN 0.736 nan 8.150 nan 0.000 0.445 580 D N -0.898 119.485 120.400 -0.028 0.000 2.340 580 D HA 0.049 4.690 4.640 0.002 0.000 0.220 580 D C -0.418 175.927 176.300 0.075 0.000 1.039 580 D CA 0.536 54.577 54.000 0.067 0.000 0.866 580 D CB 0.276 41.147 40.800 0.119 0.000 0.913 580 D HN 0.318 nan 8.370 nan 0.000 0.523 581 D N 0.285 120.714 120.400 0.049 0.000 2.978 581 D HA 0.162 4.804 4.640 0.002 0.000 0.268 581 D C -2.741 173.568 176.300 0.015 0.000 1.252 581 D CA -1.576 52.502 54.000 0.130 0.000 0.771 581 D CB 1.273 42.229 40.800 0.260 0.000 1.361 581 D HN -0.105 nan 8.370 nan 0.000 0.558 582 P HA 0.072 nan 4.420 nan 0.000 0.273 582 P C 1.104 178.361 177.300 -0.071 0.000 1.250 582 P CA -0.199 62.865 63.100 -0.060 0.000 0.793 582 P CB 0.922 32.650 31.700 0.048 0.000 1.011 583 S N 1.097 116.711 115.700 -0.143 0.000 2.368 583 S HA -0.192 4.279 4.470 0.002 0.000 0.225 583 S C 0.650 175.400 174.600 0.249 0.000 1.030 583 S CA 1.385 59.545 58.200 -0.066 0.000 0.999 583 S CB -1.275 61.967 63.200 0.070 0.000 0.844 583 S HN 0.503 nan 8.310 nan 0.000 0.459 584 N N 0.877 119.716 118.700 0.233 0.000 2.710 584 N HA -0.181 4.561 4.740 0.002 0.000 0.249 584 N C 0.670 176.339 175.510 0.264 0.000 1.059 584 N CA 1.312 54.503 53.050 0.234 0.000 0.720 584 N CB -2.009 36.599 38.487 0.201 0.000 0.983 584 N HN 0.953 nan 8.380 nan 0.000 0.544 585 G N -1.289 107.708 108.800 0.330 0.000 2.143 585 G HA2 -0.366 3.595 3.960 0.002 0.000 0.249 585 G HA3 -0.366 3.595 3.960 0.002 0.000 0.249 585 G C 0.620 175.717 174.900 0.329 0.000 0.981 585 G CA 0.680 45.984 45.100 0.341 0.000 0.665 585 G HN 0.555 nan 8.290 nan 0.000 0.528 586 Q N -1.653 118.371 119.800 0.374 0.000 2.352 586 Q HA 0.280 4.621 4.340 0.002 0.000 0.212 586 Q C 0.530 176.865 176.000 0.559 0.000 0.888 586 Q CA -0.091 55.949 55.803 0.395 0.000 0.934 586 Q CB 0.688 29.669 28.738 0.405 0.000 1.093 586 Q HN 0.528 nan 8.270 nan 0.000 0.523 587 Y N 2.115 122.585 120.300 0.285 0.000 2.352 587 Y HA 0.113 4.664 4.550 0.002 0.000 0.326 587 Y C 0.813 176.713 175.900 0.001 0.000 1.166 587 Y CA -1.342 56.764 58.100 0.010 0.000 1.182 587 Y CB 0.797 38.824 38.460 -0.722 0.000 1.216 587 Y HN 0.063 nan 8.280 nan 0.000 0.474 588 N N 1.930 120.227 118.700 -0.672 0.000 2.353 588 N HA -0.087 4.654 4.740 0.002 0.000 0.185 588 N C -0.228 174.988 175.510 -0.489 0.000 1.098 588 N CA 0.161 52.791 53.050 -0.700 0.000 0.872 588 N CB -0.533 37.302 38.487 -1.087 0.000 0.970 588 N HN 0.809 nan 8.380 nan 0.000 0.467 589 W N 1.724 122.472 121.300 -0.920 0.000 5.770 589 W HA -0.262 4.399 4.660 0.002 0.000 0.389 589 W C -0.128 176.121 176.519 -0.449 0.000 1.469 589 W CA 0.648 57.770 57.345 -0.371 0.000 0.975 589 W CB -2.492 27.096 29.460 0.213 0.000 2.622 589 W HN 0.162 nan 8.180 nan 0.000 1.500 590 K N -1.910 118.201 120.400 -0.482 0.000 3.071 590 K HA -0.242 4.079 4.320 0.002 0.000 0.265 590 K C 0.341 176.682 176.600 -0.432 0.000 1.060 590 K CA 1.250 57.282 56.287 -0.425 0.000 0.767 590 K CB -1.482 30.735 32.500 -0.472 0.000 1.241 590 K HN 0.440 nan 8.250 nan 0.000 0.486 591 T N -2.133 112.179 114.554 -0.404 0.000 2.646 591 T HA 0.309 4.660 4.350 0.002 0.000 0.297 591 T C -1.328 173.101 174.700 -0.452 0.000 1.363 591 T CA -0.797 61.035 62.100 -0.448 0.000 1.056 591 T CB 0.347 68.975 68.868 -0.400 0.000 1.779 591 T HN 0.106 nan 8.240 nan 0.000 0.459 592 Y N 2.150 122.125 120.300 -0.541 0.000 2.811 592 Y HA 0.172 4.723 4.550 0.002 0.000 0.334 592 Y C 1.109 176.824 175.900 -0.307 0.000 1.247 592 Y CA 0.654 58.395 58.100 -0.598 0.000 1.526 592 Y CB -0.176 37.848 38.460 -0.727 0.000 1.284 592 Y HN 0.519 nan 8.280 nan 0.000 0.586 593 H N 5.480 124.608 119.070 0.096 0.000 3.070 593 H HA -0.012 4.545 4.556 0.002 0.000 0.313 593 H C -1.462 173.921 175.328 0.092 0.000 0.997 593 H CA -0.821 55.330 56.048 0.172 0.000 1.438 593 H CB 0.393 30.372 29.762 0.361 0.000 1.455 593 H HN 0.449 nan 8.280 nan 0.000 0.575 594 P HA -0.146 nan 4.420 nan 0.000 0.226 594 P C 0.647 178.055 177.300 0.181 0.000 1.146 594 P CA 1.000 64.237 63.100 0.228 0.000 0.773 594 P CB 0.323 32.266 31.700 0.404 0.000 0.772 595 Q N -1.022 118.817 119.800 0.064 0.000 2.435 595 Q HA 0.035 4.376 4.340 0.002 0.000 0.207 595 Q C 0.788 176.840 176.000 0.087 0.000 0.956 595 Q CA 0.134 55.840 55.803 -0.161 0.000 0.917 595 Q CB -0.667 27.901 28.738 -0.284 0.000 0.997 595 Q HN 0.126 nan 8.270 nan 0.000 0.497 596 V N 1.518 121.448 119.914 0.026 0.000 2.599 596 V HA -0.002 4.119 4.120 0.002 0.000 0.300 596 V C -0.214 175.794 176.094 -0.143 0.000 1.034 596 V CA -0.064 62.181 62.300 -0.092 0.000 1.115 596 V CB 0.166 31.667 31.823 -0.535 0.000 0.934 596 V HN 0.257 nan 8.190 nan 0.000 0.485 597 L N 8.090 129.286 121.223 -0.046 0.000 2.385 597 L HA 0.330 4.671 4.340 0.002 0.000 0.281 597 L C -0.023 176.757 176.870 -0.150 0.000 1.106 597 L CA -0.051 54.736 54.840 -0.088 0.000 0.856 597 L CB 0.965 43.012 42.059 -0.020 0.000 1.186 597 L HN 0.703 nan 8.230 nan 0.000 0.453 598 V N 0.054 119.851 119.914 -0.195 0.000 2.667 598 V HA 0.496 4.617 4.120 0.002 0.000 0.308 598 V C 0.377 176.405 176.094 -0.109 0.000 1.048 598 V CA -0.680 61.501 62.300 -0.199 0.000 0.928 598 V CB 1.627 33.280 31.823 -0.282 0.000 1.004 598 V HN 0.610 nan 8.190 nan 0.000 0.444 599 T N 3.223 117.731 114.554 -0.077 0.000 2.867 599 T HA 0.048 4.400 4.350 0.002 0.000 0.297 599 T C 0.039 174.737 174.700 -0.004 0.000 0.989 599 T CA 0.488 62.568 62.100 -0.034 0.000 1.159 599 T CB -0.120 68.731 68.868 -0.028 0.000 0.928 599 T HN 0.963 nan 8.240 nan 0.000 0.538 600 D N 2.726 123.142 120.400 0.026 0.000 2.520 600 D HA -0.018 4.624 4.640 0.002 0.000 0.243 600 D C 0.797 177.127 176.300 0.050 0.000 1.160 600 D CA 0.374 54.409 54.000 0.058 0.000 0.877 600 D CB 0.542 41.439 40.800 0.161 0.000 1.150 600 D HN 0.498 nan 8.370 nan 0.000 0.494 601 M N 3.031 122.633 119.600 0.004 0.000 2.441 601 M HA 0.089 4.570 4.480 0.002 0.000 0.244 601 M C 1.697 177.948 176.300 -0.082 0.000 1.122 601 M CA 0.148 55.442 55.300 -0.011 0.000 1.041 601 M CB 0.459 33.052 32.600 -0.012 0.000 1.438 601 M HN 0.228 nan 8.290 nan 0.000 0.484 602 R N -0.606 119.794 120.500 -0.166 0.000 2.112 602 R HA 0.040 4.381 4.340 0.002 0.000 0.216 602 R C -0.361 175.614 176.300 -0.543 0.000 1.080 602 R CA 0.823 56.658 56.100 -0.440 0.000 0.996 602 R CB 0.316 30.214 30.300 -0.669 0.000 0.902 602 R HN 0.189 nan 8.270 nan 0.000 0.449 603 Y N 0.810 121.128 120.300 0.030 0.000 2.402 603 Y HA 0.261 4.812 4.550 0.002 0.000 0.325 603 Y C -0.476 175.469 175.900 0.075 0.000 1.009 603 Y CA -1.531 56.587 58.100 0.031 0.000 1.278 603 Y CB 1.159 39.614 38.460 -0.008 0.000 1.105 603 Y HN -0.148 nan 8.280 nan 0.000 0.476 604 E N 2.007 122.310 120.200 0.172 0.000 2.442 604 E HA 0.039 4.391 4.350 0.002 0.000 0.262 604 E C 0.018 176.710 176.600 0.153 0.000 1.004 604 E CA 0.607 57.087 56.400 0.133 0.000 0.928 604 E CB 0.118 29.877 29.700 0.098 0.000 0.937 604 E HN 0.641 nan 8.360 nan 0.000 0.446 605 N N 1.896 120.671 118.700 0.124 0.000 2.708 605 N HA -0.287 4.454 4.740 0.002 0.000 0.249 605 N C -0.861 174.747 175.510 0.164 0.000 1.097 605 N CA 0.852 53.968 53.050 0.110 0.000 0.710 605 N CB -1.189 37.350 38.487 0.087 0.000 1.032 605 N HN 0.494 nan 8.380 nan 0.000 0.551 606 H N -0.285 118.821 119.070 0.061 0.000 2.528 606 H HA 0.465 5.022 4.556 0.002 0.000 0.256 606 H C 1.096 176.450 175.328 0.043 0.000 1.204 606 H CA 0.804 56.881 56.048 0.049 0.000 0.955 606 H CB -0.323 29.480 29.762 0.069 0.000 1.817 606 H HN 0.491 nan 8.280 nan 0.000 0.579 607 G N 1.079 109.850 108.800 -0.049 0.000 2.601 607 G HA2 -0.297 3.664 3.960 0.002 0.000 0.252 607 G HA3 -0.297 3.664 3.960 0.002 0.000 0.252 607 G C -0.397 174.478 174.900 -0.041 0.000 1.294 607 G CA -0.122 44.929 45.100 -0.082 0.000 0.912 607 G HN 0.578 nan 8.290 nan 0.000 0.574 608 R N 0.136 120.606 120.500 -0.049 0.000 2.856 608 R HA 0.767 5.108 4.340 0.002 0.000 0.258 608 R C -0.456 175.826 176.300 -0.030 0.000 1.066 608 R CA -0.802 55.276 56.100 -0.037 0.000 1.045 608 R CB 1.697 31.970 30.300 -0.045 0.000 1.178 608 R HN 0.617 nan 8.270 nan 0.000 0.499 609 E N 0.457 120.622 120.200 -0.058 0.000 2.392 609 E HA 0.277 4.628 4.350 0.002 0.000 0.279 609 E C -2.766 173.714 176.600 -0.200 0.000 0.964 609 E CA -2.169 54.172 56.400 -0.099 0.000 0.777 609 E CB 2.011 31.684 29.700 -0.045 0.000 1.249 609 E HN 0.258 nan 8.360 nan 0.000 0.449 610 P HA 0.022 nan 4.420 nan 0.000 0.266 610 P C 0.709 177.850 177.300 -0.266 0.000 1.195 610 P CA -0.010 62.914 63.100 -0.294 0.000 0.768 610 P CB 0.414 31.874 31.700 -0.400 0.000 0.838 611 M N 4.886 124.358 119.600 -0.213 0.000 2.358 611 M HA -0.115 4.366 4.480 0.002 0.000 0.264 611 M C 1.582 177.779 176.300 -0.171 0.000 1.064 611 M CA 1.538 56.706 55.300 -0.219 0.000 1.093 611 M CB -1.238 31.185 32.600 -0.295 0.000 1.401 611 M HN 0.140 nan 8.290 nan 0.000 0.440 612 V N 0.278 120.117 119.914 -0.126 0.000 2.568 612 V HA -0.254 3.867 4.120 0.002 0.000 0.253 612 V C 2.132 178.058 176.094 -0.280 0.000 1.072 612 V CA 2.496 64.729 62.300 -0.112 0.000 1.084 612 V CB -1.033 30.789 31.823 -0.001 0.000 0.676 612 V HN 0.824 nan 8.190 nan 0.000 0.469 613 T N -1.083 113.219 114.554 -0.421 0.000 3.035 613 T HA -0.155 4.196 4.350 0.002 0.000 0.268 613 T C 1.113 175.700 174.700 -0.189 0.000 1.109 613 T CA 1.350 63.221 62.100 -0.381 0.000 1.119 613 T CB -0.218 68.475 68.868 -0.292 0.000 0.900 613 T HN 0.825 nan 8.240 nan 0.000 0.503 614 Q N -0.746 118.946 119.800 -0.181 0.000 1.986 614 Q HA 0.354 4.695 4.340 0.002 0.000 0.225 614 Q C 1.437 177.337 176.000 -0.167 0.000 0.836 614 Q CA -0.610 55.087 55.803 -0.176 0.000 1.008 614 Q CB -0.066 28.580 28.738 -0.154 0.000 1.253 614 Q HN 0.288 nan 8.270 nan 0.000 0.415 615 R N 1.518 121.919 120.500 -0.166 0.000 2.119 615 R HA -0.130 4.211 4.340 0.002 0.000 0.246 615 R C 0.451 176.647 176.300 -0.173 0.000 1.146 615 R CA 2.136 58.129 56.100 -0.178 0.000 0.962 615 R CB 0.102 30.259 30.300 -0.238 0.000 0.863 615 R HN 0.261 nan 8.270 nan 0.000 0.442 616 N N 0.239 118.809 118.700 -0.216 0.000 2.383 616 N HA -0.011 4.730 4.740 0.002 0.000 0.192 616 N C 0.971 176.322 175.510 -0.265 0.000 1.141 616 N CA 0.379 53.295 53.050 -0.225 0.000 0.851 616 N CB 0.317 38.655 38.487 -0.248 0.000 0.976 616 N HN 0.371 nan 8.380 nan 0.000 0.465 617 I N -0.317 120.107 120.570 -0.244 0.000 3.956 617 I HA -0.024 4.147 4.170 0.002 0.000 0.333 617 I C 1.920 178.013 176.117 -0.039 0.000 1.302 617 I CA 0.070 61.245 61.300 -0.208 0.000 1.122 617 I CB 0.039 37.857 38.000 -0.304 0.000 1.013 617 I HN 0.162 nan 8.210 nan 0.000 0.405 618 H N 1.354 120.361 119.070 -0.106 0.000 2.299 618 H HA -0.086 4.471 4.556 0.002 0.000 0.302 618 H C 2.011 177.226 175.328 -0.189 0.000 1.078 618 H CA 1.930 57.915 56.048 -0.104 0.000 1.323 618 H CB 0.299 30.034 29.762 -0.046 0.000 1.381 618 H HN 0.406 nan 8.280 nan 0.000 0.498 619 A N 0.335 123.139 122.820 -0.026 0.000 1.969 619 A HA -0.194 4.127 4.320 0.002 0.000 0.218 619 A C 2.375 179.865 177.584 -0.157 0.000 1.169 619 A CA 1.259 53.230 52.037 -0.110 0.000 0.635 619 A CB -1.237 17.788 19.000 0.042 0.000 0.810 619 A HN 0.667 nan 8.150 nan 0.000 0.445 620 Y N 1.232 121.448 120.300 -0.141 0.000 2.128 620 Y HA -0.234 4.317 4.550 0.002 0.000 0.284 620 Y C 2.602 178.326 175.900 -0.294 0.000 1.154 620 Y CA 2.532 60.602 58.100 -0.050 0.000 1.149 620 Y CB -0.512 38.002 38.460 0.089 0.000 0.976 620 Y HN 0.307 nan 8.280 nan 0.000 0.505 621 T N 1.485 115.946 114.554 -0.156 0.000 2.821 621 T HA -0.168 4.184 4.350 0.002 0.000 0.267 621 T C 1.772 176.015 174.700 -0.762 0.000 1.046 621 T CA 1.626 63.515 62.100 -0.350 0.000 1.139 621 T CB -0.591 68.133 68.868 -0.240 0.000 0.871 621 T HN 0.501 nan 8.240 nan 0.000 0.454 622 L N -0.169 120.379 121.223 -1.126 0.000 2.156 622 L HA 0.154 4.496 4.340 0.002 0.000 0.208 622 L C 2.347 178.707 176.870 -0.849 0.000 1.095 622 L CA 1.186 55.086 54.840 -1.567 0.000 0.770 622 L CB -1.231 39.580 42.059 -2.079 0.000 0.914 622 L HN 0.119 nan 8.230 nan 0.000 0.439 623 C N 0.255 119.139 119.300 -0.695 0.000 2.440 623 C HA -0.116 4.345 4.460 0.002 0.000 0.278 623 C C 2.760 177.167 174.990 -0.972 0.000 1.295 623 C CA 1.171 59.834 59.018 -0.591 0.000 1.738 623 C CB -0.845 26.657 27.740 -0.396 0.000 1.987 623 C HN 0.748 nan 8.230 nan 0.000 0.492 624 E N 0.856 120.146 120.200 -1.517 0.000 2.051 624 E HA -0.183 4.169 4.350 0.002 0.000 0.192 624 E C 2.136 178.362 176.600 -0.623 0.000 0.991 624 E CA 1.608 57.057 56.400 -1.586 0.000 0.799 624 E CB -0.012 28.975 29.700 -1.188 0.000 0.748 624 E HN 0.575 nan 8.360 nan 0.000 0.449 625 S N -0.137 115.307 115.700 -0.426 0.000 2.368 625 S HA -0.129 4.342 4.470 0.002 0.000 0.225 625 S C 2.044 176.660 174.600 0.027 0.000 1.030 625 S CA 1.532 59.677 58.200 -0.092 0.000 0.999 625 S CB -0.390 62.840 63.200 0.051 0.000 0.844 625 S HN 0.346 nan 8.310 nan 0.000 0.459 626 T N 1.887 116.437 114.554 -0.007 0.000 2.746 626 T HA -0.094 4.257 4.350 0.002 0.000 0.267 626 T C 1.943 176.518 174.700 -0.207 0.000 1.039 626 T CA 1.508 63.575 62.100 -0.055 0.000 1.142 626 T CB -0.225 68.648 68.868 0.009 0.000 0.866 626 T HN 0.225 nan 8.240 nan 0.000 0.444 627 R N 1.643 122.025 120.500 -0.196 0.000 2.070 627 R HA 0.012 4.353 4.340 0.002 0.000 0.233 627 R C 2.253 178.502 176.300 -0.085 0.000 1.137 627 R CA 1.831 57.858 56.100 -0.123 0.000 0.945 627 R CB -0.412 29.868 30.300 -0.033 0.000 0.845 627 R HN 0.341 nan 8.270 nan 0.000 0.430 628 K N -0.560 119.794 120.400 -0.077 0.000 2.005 628 K HA -0.082 4.239 4.320 0.002 0.000 0.206 628 K C 1.745 178.327 176.600 -0.031 0.000 1.044 628 K CA 1.690 57.955 56.287 -0.037 0.000 0.942 628 K CB -0.001 32.488 32.500 -0.019 0.000 0.727 628 K HN 0.081 nan 8.250 nan 0.000 0.439 629 E N -0.704 119.485 120.200 -0.017 0.000 2.170 629 E HA 0.022 4.373 4.350 0.002 0.000 0.191 629 E C 1.648 178.214 176.600 -0.056 0.000 0.981 629 E CA 0.967 57.367 56.400 0.001 0.000 0.830 629 E CB 0.063 29.805 29.700 0.072 0.000 0.775 629 E HN 0.503 nan 8.360 nan 0.000 0.470 630 G N -0.075 108.630 108.800 -0.158 0.000 2.411 630 G HA2 -0.055 3.906 3.960 0.002 0.000 0.213 630 G HA3 -0.055 3.906 3.960 0.002 0.000 0.213 630 G C 1.512 176.294 174.900 -0.196 0.000 1.166 630 G CA 0.352 45.206 45.100 -0.411 0.000 0.802 630 G HN 0.130 nan 8.290 nan 0.000 0.533 631 I N -0.564 119.921 120.570 -0.141 0.000 3.132 631 I HA 0.055 4.226 4.170 0.002 0.000 0.255 631 I C 2.597 178.672 176.117 -0.070 0.000 1.118 631 I CA 0.151 61.410 61.300 -0.068 0.000 1.463 631 I CB -0.016 37.934 38.000 -0.082 0.000 1.356 631 I HN -0.056 nan 8.210 nan 0.000 0.463 632 V N 1.275 121.154 119.914 -0.058 0.000 2.261 632 V HA -0.267 3.854 4.120 0.002 0.000 0.246 632 V C 2.019 178.094 176.094 -0.031 0.000 1.047 632 V CA 1.907 64.182 62.300 -0.042 0.000 1.015 632 V CB -0.697 31.107 31.823 -0.032 0.000 0.642 632 V HN 0.407 nan 8.190 nan 0.000 0.446 633 E N 0.120 120.306 120.200 -0.022 0.000 2.515 633 E HA -0.099 4.252 4.350 0.002 0.000 0.201 633 E C 0.772 177.372 176.600 0.000 0.000 1.071 633 E CA 0.344 56.739 56.400 -0.009 0.000 0.880 633 E CB -0.061 29.638 29.700 -0.003 0.000 0.828 633 E HN 0.507 nan 8.360 nan 0.000 0.540 634 N N -0.541 118.160 118.700 0.002 0.000 2.238 634 N HA 0.153 4.894 4.740 0.002 0.000 0.235 634 N C 0.725 176.214 175.510 -0.035 0.000 1.209 634 N CA 0.115 53.185 53.050 0.033 0.000 0.879 634 N CB 0.900 39.489 38.487 0.170 0.000 1.136 634 N HN 0.052 nan 8.380 nan 0.000 0.517 635 A N 0.428 123.212 122.820 -0.059 0.000 1.986 635 A HA -0.174 4.147 4.320 0.002 0.000 0.220 635 A C 1.652 179.206 177.584 -0.051 0.000 1.171 635 A CA 1.513 53.503 52.037 -0.079 0.000 0.640 635 A CB -0.130 18.840 19.000 -0.050 0.000 0.811 635 A HN 0.071 nan 8.150 nan 0.000 0.451 636 D N -0.798 119.590 120.400 -0.020 0.000 2.178 636 D HA -0.066 4.575 4.640 0.002 0.000 0.202 636 D C 1.844 178.150 176.300 0.010 0.000 0.974 636 D CA 1.747 55.745 54.000 -0.004 0.000 0.841 636 D CB -0.416 40.387 40.800 0.006 0.000 0.953 636 D HN 0.427 nan 8.370 nan 0.000 0.478 637 T N 0.417 114.987 114.554 0.026 0.000 3.043 637 T HA 0.084 4.436 4.350 0.002 0.000 0.263 637 T C 1.085 175.822 174.700 0.062 0.000 1.094 637 T CA -0.113 62.032 62.100 0.075 0.000 1.127 637 T CB 0.169 69.129 68.868 0.153 0.000 0.905 637 T HN 0.047 nan 8.240 nan 0.000 0.490 638 L N 2.649 123.836 121.223 -0.059 0.000 2.490 638 L HA 0.055 4.396 4.340 0.002 0.000 0.274 638 L C 2.054 178.921 176.870 -0.004 0.000 1.201 638 L CA -0.148 54.623 54.840 -0.114 0.000 0.869 638 L CB 0.678 42.594 42.059 -0.238 0.000 1.123 638 L HN 0.317 nan 8.230 nan 0.000 0.484 639 T N -0.353 114.238 114.554 0.061 0.000 2.739 639 T HA -0.070 4.281 4.350 0.002 0.000 0.246 639 T C 1.637 176.312 174.700 -0.042 0.000 1.058 639 T CA 0.502 62.638 62.100 0.059 0.000 1.184 639 T CB -0.044 68.926 68.868 0.170 0.000 0.887 639 T HN 0.494 nan 8.240 nan 0.000 0.408 640 K N -0.264 120.089 120.400 -0.079 0.000 2.128 640 K HA 0.267 4.588 4.320 0.002 0.000 0.202 640 K C -0.506 175.784 176.600 -0.516 0.000 1.050 640 K CA 0.348 56.437 56.287 -0.331 0.000 0.966 640 K CB 0.209 32.447 32.500 -0.438 0.000 0.759 640 K HN 0.350 nan 8.250 nan 0.000 0.454 641 F N 0.184 120.138 119.950 0.007 0.000 2.507 641 F HA 0.387 4.916 4.527 0.003 0.000 0.328 641 F C 0.788 176.580 175.800 -0.013 0.000 1.136 641 F CA -0.930 57.093 58.000 0.038 0.000 0.930 641 F CB 1.748 40.850 39.000 0.170 0.000 1.166 641 F HN -0.230 nan 8.300 nan 0.000 0.436 642 R N 0.593 121.148 120.500 0.092 0.000 2.148 642 R HA 0.030 4.371 4.340 0.002 0.000 0.223 642 R C 0.963 177.270 176.300 0.011 0.000 1.088 642 R CA 0.488 56.596 56.100 0.014 0.000 0.985 642 R CB 0.123 30.420 30.300 -0.005 0.000 0.880 642 R HN 0.473 nan 8.270 nan 0.000 0.451 643 R N 0.935 121.473 120.500 0.062 0.000 2.438 643 R HA 0.119 4.460 4.340 0.002 0.000 0.287 643 R C -0.479 175.827 176.300 0.011 0.000 1.077 643 R CA 0.217 56.325 56.100 0.013 0.000 1.034 643 R CB 1.125 31.419 30.300 -0.010 0.000 0.993 643 R HN -0.048 nan 8.270 nan 0.000 0.459 644 S N 1.966 117.662 115.700 -0.008 0.000 2.851 644 S HA 0.605 5.076 4.470 0.002 0.000 0.313 644 S C -2.001 172.679 174.600 0.134 0.000 1.163 644 S CA -0.561 57.674 58.200 0.059 0.000 0.850 644 S CB 1.047 64.248 63.200 0.001 0.000 1.245 644 S HN 0.515 nan 8.310 nan 0.000 0.558 645 Y N -0.293 120.022 120.300 0.025 0.000 2.656 645 Y HA 0.618 5.169 4.550 0.002 0.000 0.334 645 Y C -1.680 174.286 175.900 0.110 0.000 1.179 645 Y CA -0.883 57.210 58.100 -0.011 0.000 1.050 645 Y CB 1.101 39.462 38.460 -0.166 0.000 1.308 645 Y HN 0.646 nan 8.280 nan 0.000 0.456 646 I N 5.057 125.365 120.570 -0.437 0.000 2.465 646 I HA 0.428 4.599 4.170 0.002 0.000 0.291 646 I C -1.099 174.799 176.117 -0.365 0.000 1.014 646 I CA -0.790 60.351 61.300 -0.265 0.000 1.093 646 I CB 1.689 39.541 38.000 -0.246 0.000 1.267 646 I HN 0.313 nan 8.210 nan 0.000 0.431 647 I N 4.668 125.143 120.570 -0.158 0.000 2.354 647 I HA 0.287 4.458 4.170 0.002 0.000 0.286 647 I C 0.094 176.255 176.117 0.073 0.000 1.007 647 I CA -0.075 61.106 61.300 -0.199 0.000 1.167 647 I CB 1.332 39.026 38.000 -0.510 0.000 1.320 647 I HN 0.477 nan 8.210 nan 0.000 0.458 648 S N 5.458 121.188 115.700 0.050 0.000 2.565 648 S HA 0.429 4.900 4.470 0.002 0.000 0.290 648 S C 1.068 175.672 174.600 0.005 0.000 1.150 648 S CA -0.493 57.774 58.200 0.111 0.000 1.058 648 S CB 1.803 65.013 63.200 0.017 0.000 1.032 648 S HN 0.696 nan 8.310 nan 0.000 0.510 649 R N 1.966 122.386 120.500 -0.134 0.000 2.173 649 R HA 0.206 4.547 4.340 0.002 0.000 0.208 649 R C 0.874 176.975 176.300 -0.332 0.000 1.035 649 R CA 0.692 56.362 56.100 -0.718 0.000 1.004 649 R CB -0.141 29.669 30.300 -0.816 0.000 0.917 649 R HN 0.681 nan 8.270 nan 0.000 0.462 650 G N -1.348 107.417 108.800 -0.057 0.000 2.630 650 G HA2 0.613 4.574 3.960 0.002 0.000 0.296 650 G HA3 0.613 4.574 3.960 0.002 0.000 0.296 650 G C -0.953 174.067 174.900 0.200 0.000 1.285 650 G CA -0.181 44.980 45.100 0.101 0.000 0.958 650 G HN 0.349 nan 8.290 nan 0.000 0.479 651 G N -1.734 107.217 108.800 0.251 0.000 2.327 651 G HA2 0.497 4.458 3.960 0.002 0.000 0.291 651 G HA3 0.497 4.458 3.960 0.002 0.000 0.291 651 G C -2.312 172.542 174.900 -0.075 0.000 1.290 651 G CA -0.481 44.763 45.100 0.240 0.000 0.857 651 G HN 1.216 nan 8.290 nan 0.000 0.520 652 Y N -0.078 120.097 120.300 -0.207 0.000 2.605 652 Y HA 0.683 5.234 4.550 0.002 0.000 0.343 652 Y C 0.368 176.084 175.900 -0.308 0.000 1.036 652 Y CA -1.865 55.985 58.100 -0.417 0.000 1.065 652 Y CB 1.313 39.646 38.460 -0.211 0.000 1.288 652 Y HN 0.589 nan 8.280 nan 0.000 0.481 653 I N 3.870 123.876 120.570 -0.939 0.000 3.114 653 I HA 0.023 4.194 4.170 0.002 0.000 0.320 653 I C 1.257 177.122 176.117 -0.421 0.000 1.230 653 I CA 2.321 63.209 61.300 -0.687 0.000 1.440 653 I CB -0.693 36.737 38.000 -0.950 0.000 1.334 653 I HN 0.937 nan 8.210 nan 0.000 0.532 654 G N 5.069 113.746 108.800 -0.206 0.000 2.255 654 G HA2 -0.258 3.703 3.960 0.002 0.000 0.196 654 G HA3 -0.258 3.703 3.960 0.002 0.000 0.196 654 G C 0.908 175.741 174.900 -0.112 0.000 0.998 654 G CA 0.209 45.286 45.100 -0.039 0.000 0.656 654 G HN 0.520 nan 8.290 nan 0.000 0.490 655 N N 1.019 119.721 118.700 0.002 0.000 2.443 655 N HA -0.062 4.680 4.740 0.002 0.000 0.184 655 N C 2.384 177.710 175.510 -0.305 0.000 1.037 655 N CA 1.602 54.611 53.050 -0.069 0.000 0.896 655 N CB -0.062 38.587 38.487 0.270 0.000 0.959 655 N HN 0.698 nan 8.380 nan 0.000 0.442 656 Q N -0.388 119.198 119.800 -0.356 0.000 2.364 656 Q HA -0.168 4.173 4.340 0.002 0.000 0.209 656 Q C 0.571 176.220 176.000 -0.584 0.000 0.977 656 Q CA 1.529 57.073 55.803 -0.432 0.000 0.885 656 Q CB -0.630 27.838 28.738 -0.449 0.000 0.941 656 Q HN 0.605 nan 8.270 nan 0.000 0.464 657 H N -0.975 117.720 119.070 -0.625 0.000 2.548 657 H HA 0.100 4.657 4.556 0.002 0.000 0.268 657 H C 0.517 175.480 175.328 -0.609 0.000 0.975 657 H CA 0.954 56.612 56.048 -0.649 0.000 1.195 657 H CB 0.164 29.494 29.762 -0.721 0.000 1.397 657 H HN 0.233 nan 8.280 nan 0.000 0.572 658 F N -1.175 118.665 119.950 -0.183 0.000 2.622 658 F HA 0.431 4.959 4.527 0.002 0.000 0.288 658 F C 1.524 177.097 175.800 -0.378 0.000 1.120 658 F CA 0.563 58.410 58.000 -0.255 0.000 1.423 658 F CB 0.323 39.148 39.000 -0.291 0.000 1.127 658 F HN 0.184 nan 8.300 nan 0.000 0.588 659 G N -0.811 107.794 108.800 -0.326 0.000 2.441 659 G HA2 0.398 4.359 3.960 0.002 0.000 0.222 659 G HA3 0.398 4.359 3.960 0.002 0.000 0.222 659 G C -0.502 174.132 174.900 -0.443 0.000 1.254 659 G CA -0.313 44.335 45.100 -0.754 0.000 0.959 659 G HN 0.399 nan 8.290 nan 0.000 0.474 660 G N -1.181 107.341 108.800 -0.464 0.000 2.971 660 G HA2 0.723 4.684 3.960 0.002 0.000 0.235 660 G HA3 0.723 4.684 3.960 0.002 0.000 0.235 660 G C -0.476 174.304 174.900 -0.199 0.000 1.351 660 G CA -0.652 44.350 45.100 -0.164 0.000 1.039 660 G HN 0.642 nan 8.290 nan 0.000 0.563 661 M N -0.574 118.921 119.600 -0.175 0.000 2.520 661 M HA 0.355 4.837 4.480 0.002 0.000 0.283 661 M C -1.918 174.359 176.300 -0.038 0.000 1.237 661 M CA -0.329 54.887 55.300 -0.141 0.000 0.885 661 M CB 2.654 35.114 32.600 -0.234 0.000 1.727 661 M HN 0.864 nan 8.290 nan 0.000 0.468 662 W N 1.054 122.222 121.300 -0.220 0.000 2.844 662 W HA 0.722 5.383 4.660 0.002 0.000 0.340 662 W C -1.337 175.131 176.519 -0.086 0.000 1.093 662 W CA -0.989 56.321 57.345 -0.057 0.000 1.212 662 W CB 0.705 30.168 29.460 0.004 0.000 1.422 662 W HN 0.270 nan 8.180 nan 0.000 0.515 663 V N 6.506 126.315 119.914 -0.174 0.000 2.052 663 V HA 0.330 4.451 4.120 0.002 0.000 0.281 663 V C 1.349 177.204 176.094 -0.397 0.000 1.668 663 V CA 0.621 62.757 62.300 -0.273 0.000 1.621 663 V CB -1.299 30.551 31.823 0.046 0.000 1.488 663 V HN 1.241 nan 8.190 nan 0.000 0.513 664 G N 2.874 110.835 108.800 -1.398 0.000 2.602 664 G HA2 -0.282 3.679 3.960 0.002 0.000 0.306 664 G HA3 -0.282 3.679 3.960 0.002 0.000 0.306 664 G C -0.174 174.693 174.900 -0.056 0.000 1.301 664 G CA 0.449 44.906 45.100 -1.071 0.000 0.974 664 G HN 0.594 nan 8.290 nan 0.000 0.547 665 D N 2.329 122.803 120.400 0.123 0.000 2.456 665 D HA 0.392 5.034 4.640 0.002 0.000 0.219 665 D C 0.898 177.231 176.300 0.055 0.000 1.126 665 D CA -0.219 53.843 54.000 0.104 0.000 0.890 665 D CB 0.325 41.159 40.800 0.057 0.000 1.025 665 D HN 0.592 nan 8.370 nan 0.000 0.511 666 N N 0.276 118.982 118.700 0.009 0.000 2.374 666 N HA 0.314 5.055 4.740 0.002 0.000 0.284 666 N C -0.061 175.135 175.510 -0.523 0.000 1.280 666 N CA -0.530 52.252 53.050 -0.446 0.000 0.963 666 N CB 0.622 39.077 38.487 -0.053 0.000 1.141 666 N HN 0.140 nan 8.380 nan 0.000 0.565 667 S N -3.035 111.946 115.700 -1.197 0.000 2.851 667 S HA 0.564 5.036 4.470 0.002 0.000 0.317 667 S C -1.058 173.353 174.600 -0.314 0.000 1.144 667 S CA -0.710 57.084 58.200 -0.676 0.000 0.862 667 S CB 0.493 63.325 63.200 -0.613 0.000 1.259 667 S HN 0.554 nan 8.310 nan 0.000 0.564 668 T N 2.082 116.611 114.554 -0.042 0.000 3.400 668 T HA 0.490 4.841 4.350 0.002 0.000 0.362 668 T C -0.392 174.273 174.700 -0.059 0.000 1.823 668 T CA -0.367 61.733 62.100 -0.000 0.000 1.374 668 T CB -0.532 68.258 68.868 -0.131 0.000 1.130 668 T HN 0.713 nan 8.240 nan 0.000 0.744 669 T N -2.444 112.227 114.554 0.195 0.000 2.864 669 T HA 0.442 4.793 4.350 0.002 0.000 0.299 669 T C 1.286 176.015 174.700 0.049 0.000 1.166 669 T CA -0.723 61.456 62.100 0.130 0.000 1.007 669 T CB 1.580 70.598 68.868 0.250 0.000 1.219 669 T HN -0.082 nan 8.240 nan 0.000 0.506 670 S N 0.857 116.544 115.700 -0.022 0.000 2.370 670 S HA -0.158 4.313 4.470 0.002 0.000 0.226 670 S C 1.868 176.299 174.600 -0.280 0.000 1.033 670 S CA 1.857 59.944 58.200 -0.187 0.000 1.011 670 S CB -0.826 62.286 63.200 -0.147 0.000 0.852 670 S HN 0.805 nan 8.310 nan 0.000 0.457 671 N N -0.031 118.566 118.700 -0.171 0.000 2.137 671 N HA -0.149 4.592 4.740 0.002 0.000 0.190 671 N C 1.400 176.677 175.510 -0.388 0.000 1.017 671 N CA 1.447 54.365 53.050 -0.221 0.000 0.859 671 N CB -0.249 38.165 38.487 -0.121 0.000 1.002 671 N HN 0.409 nan 8.380 nan 0.000 0.428 672 Y N 0.951 121.149 120.300 -0.169 0.000 2.373 672 Y HA 0.001 4.552 4.550 0.002 0.000 0.293 672 Y C 1.977 177.783 175.900 -0.158 0.000 1.129 672 Y CA 0.561 58.596 58.100 -0.108 0.000 1.226 672 Y CB -0.102 38.377 38.460 0.031 0.000 1.000 672 Y HN 0.099 nan 8.280 nan 0.000 0.549 673 I N -0.333 120.073 120.570 -0.274 0.000 2.202 673 I HA -0.339 3.832 4.170 0.002 0.000 0.242 673 I C 2.150 178.151 176.117 -0.193 0.000 1.091 673 I CA 1.397 62.437 61.300 -0.433 0.000 1.368 673 I CB -0.502 37.139 38.000 -0.598 0.000 1.058 673 I HN 0.249 nan 8.210 nan 0.000 0.410 674 Q N 0.323 119.998 119.800 -0.209 0.000 2.077 674 Q HA -0.252 4.089 4.340 0.002 0.000 0.206 674 Q C 2.311 178.300 176.000 -0.019 0.000 0.989 674 Q CA 1.768 57.504 55.803 -0.112 0.000 0.853 674 Q CB -0.242 28.422 28.738 -0.122 0.000 0.907 674 Q HN 0.508 nan 8.270 nan 0.000 0.418 675 M N -0.078 119.484 119.600 -0.064 0.000 2.159 675 M HA -0.183 4.298 4.480 0.002 0.000 0.263 675 M C 2.388 178.740 176.300 0.086 0.000 1.063 675 M CA 1.326 56.623 55.300 -0.006 0.000 1.110 675 M CB -0.245 32.304 32.600 -0.085 0.000 1.374 675 M HN 0.371 nan 8.290 nan 0.000 0.411 676 M N 0.604 120.273 119.600 0.116 0.000 2.117 676 M HA -0.219 4.262 4.480 0.002 0.000 0.262 676 M C 1.878 178.225 176.300 0.078 0.000 1.065 676 M CA 1.871 57.266 55.300 0.159 0.000 1.114 676 M CB -0.182 32.543 32.600 0.209 0.000 1.361 676 M HN 0.188 nan 8.290 nan 0.000 0.408 677 I N 0.692 121.283 120.570 0.034 0.000 2.142 677 I HA -0.234 3.937 4.170 0.002 0.000 0.240 677 I C 2.778 178.886 176.117 -0.015 0.000 1.078 677 I CA 1.308 62.593 61.300 -0.024 0.000 1.343 677 I CB -0.778 37.244 38.000 0.036 0.000 1.046 677 I HN 0.436 nan 8.210 nan 0.000 0.405 678 A N 0.960 123.808 122.820 0.046 0.000 1.908 678 A HA -0.237 4.084 4.320 0.002 0.000 0.218 678 A C 2.061 179.676 177.584 0.052 0.000 1.181 678 A CA 2.076 54.154 52.037 0.069 0.000 0.627 678 A CB -0.765 18.298 19.000 0.105 0.000 0.818 678 A HN 0.421 nan 8.150 nan 0.000 0.445 679 N N 0.406 119.133 118.700 0.046 0.000 2.149 679 N HA -0.153 4.588 4.740 0.002 0.000 0.188 679 N C 1.642 177.157 175.510 0.010 0.000 1.019 679 N CA 1.320 54.389 53.050 0.030 0.000 0.857 679 N CB -0.576 37.934 38.487 0.037 0.000 0.997 679 N HN 0.587 nan 8.380 nan 0.000 0.426 680 N N 0.817 119.512 118.700 -0.008 0.000 2.216 680 N HA 0.016 4.757 4.740 0.002 0.000 0.183 680 N C 1.752 177.225 175.510 -0.062 0.000 1.017 680 N CA 0.500 53.525 53.050 -0.042 0.000 0.861 680 N CB 0.103 38.537 38.487 -0.089 0.000 0.986 680 N HN 0.225 nan 8.380 nan 0.000 0.428 681 I N 1.154 121.687 120.570 -0.063 0.000 2.252 681 I HA -0.220 3.951 4.170 0.002 0.000 0.245 681 I C 1.675 177.812 176.117 0.034 0.000 1.102 681 I CA 0.844 62.132 61.300 -0.021 0.000 1.385 681 I CB -0.220 37.793 38.000 0.022 0.000 1.064 681 I HN 0.071 nan 8.210 nan 0.000 0.414 682 N N 0.125 118.859 118.700 0.057 0.000 2.300 682 N HA -0.042 4.699 4.740 0.002 0.000 0.179 682 N C 1.829 177.396 175.510 0.095 0.000 1.016 682 N CA 1.038 54.148 53.050 0.100 0.000 0.876 682 N CB -0.093 38.458 38.487 0.108 0.000 0.979 682 N HN 0.208 nan 8.380 nan 0.000 0.432 683 M N 0.877 120.495 119.600 0.031 0.000 2.132 683 M HA -0.022 4.459 4.480 0.002 0.000 0.263 683 M C 1.603 177.888 176.300 -0.026 0.000 1.065 683 M CA 0.850 56.133 55.300 -0.027 0.000 1.122 683 M CB -1.074 31.457 32.600 -0.115 0.000 1.365 683 M HN 0.181 nan 8.290 nan 0.000 0.411 684 N N 0.848 119.537 118.700 -0.018 0.000 2.104 684 N HA -0.165 4.576 4.740 0.002 0.000 0.190 684 N C 1.663 177.185 175.510 0.020 0.000 1.024 684 N CA 1.807 54.845 53.050 -0.021 0.000 0.853 684 N CB -0.192 38.279 38.487 -0.027 0.000 1.008 684 N HN 0.509 nan 8.380 nan 0.000 0.424 685 M N -1.120 118.531 119.600 0.086 0.000 2.595 685 M HA 0.187 4.668 4.480 0.002 0.000 0.248 685 M C 0.678 177.183 176.300 0.342 0.000 1.119 685 M CA 0.921 56.326 55.300 0.175 0.000 1.079 685 M CB 0.416 33.113 32.600 0.162 0.000 1.472 685 M HN -0.218 nan 8.290 nan 0.000 0.501 686 S N 0.067 115.910 115.700 0.237 0.000 2.614 686 S HA 0.183 4.655 4.470 0.002 0.000 0.230 686 S C 0.568 175.111 174.600 -0.094 0.000 0.952 686 S CA -0.092 58.212 58.200 0.174 0.000 0.949 686 S CB -0.684 62.680 63.200 0.273 0.000 0.786 686 S HN 0.751 nan 8.310 nan 0.000 0.478 687 C N 1.296 120.532 119.300 -0.107 0.000 4.417 687 C HA -0.115 4.346 4.460 0.002 0.000 0.284 687 C C 0.055 174.911 174.990 -0.223 0.000 1.379 687 C CA -0.210 58.673 59.018 -0.224 0.000 1.918 687 C CB -2.299 25.185 27.740 -0.427 0.000 1.280 687 C HN 0.569 nan 8.230 nan 0.000 0.783 688 L N 2.461 123.584 121.223 -0.167 0.000 2.356 688 L HA 0.382 4.723 4.340 0.002 0.000 0.264 688 L C -0.939 175.839 176.870 -0.152 0.000 1.029 688 L CA -1.397 53.322 54.840 -0.202 0.000 0.897 688 L CB 1.234 43.101 42.059 -0.321 0.000 1.256 688 L HN -0.014 nan 8.230 nan 0.000 0.444 689 P HA -0.035 nan 4.420 nan 0.000 0.217 689 P C 0.760 178.054 177.300 -0.010 0.000 1.153 689 P CA 0.362 63.420 63.100 -0.070 0.000 0.843 689 P CB 0.997 32.646 31.700 -0.084 0.000 0.794 690 L N 1.354 122.576 121.223 -0.001 0.000 2.395 690 L HA 0.284 4.625 4.340 0.002 0.000 0.268 690 L C -0.308 176.598 176.870 0.059 0.000 1.223 690 L CA -0.348 54.532 54.840 0.067 0.000 1.093 690 L CB -0.050 42.039 42.059 0.051 0.000 1.349 690 L HN -0.191 nan 8.230 nan 0.000 0.427 691 V N 3.302 123.284 119.914 0.113 0.000 3.078 691 V HA 1.009 5.130 4.120 0.002 0.000 0.311 691 V C -0.144 176.123 176.094 0.288 0.000 1.138 691 V CA 0.122 62.493 62.300 0.119 0.000 1.007 691 V CB 2.201 34.020 31.823 -0.006 0.000 1.045 691 V HN 0.616 nan 8.190 nan 0.000 0.432 692 G N 2.379 111.415 108.800 0.394 0.000 2.548 692 G HA2 0.647 4.608 3.960 0.002 0.000 0.301 692 G HA3 0.647 4.608 3.960 0.002 0.000 0.301 692 G C -1.475 173.701 174.900 0.461 0.000 1.349 692 G CA -0.177 45.187 45.100 0.441 0.000 0.792 692 G HN 0.981 nan 8.290 nan 0.000 0.481 693 S N -0.256 115.690 115.700 0.411 0.000 2.570 693 S HA 0.555 5.027 4.470 0.002 0.000 0.286 693 S C -1.382 173.442 174.600 0.373 0.000 1.099 693 S CA -0.779 57.678 58.200 0.428 0.000 0.913 693 S CB 1.856 65.298 63.200 0.404 0.000 1.085 693 S HN 0.538 nan 8.310 nan 0.000 0.480 694 D N 2.079 122.705 120.400 0.377 0.000 2.472 694 D HA 0.085 4.726 4.640 0.002 0.000 0.248 694 D C -0.014 176.317 176.300 0.053 0.000 1.174 694 D CA 0.281 54.423 54.000 0.236 0.000 0.883 694 D CB 0.165 41.165 40.800 0.334 0.000 1.149 694 D HN 0.243 nan 8.370 nan 0.000 0.488 695 I N 1.983 122.532 120.570 -0.034 0.000 2.452 695 I HA 0.163 4.334 4.170 0.002 0.000 0.287 695 I C 1.756 177.568 176.117 -0.509 0.000 1.079 695 I CA 0.423 61.605 61.300 -0.197 0.000 1.387 695 I CB 0.179 38.148 38.000 -0.053 0.000 1.404 695 I HN 0.709 nan 8.210 nan 0.000 0.522 696 G N 4.565 112.518 108.800 -1.412 0.000 2.217 696 G HA2 -0.063 3.898 3.960 0.002 0.000 0.246 696 G HA3 -0.063 3.898 3.960 0.002 0.000 0.246 696 G C 0.623 175.049 174.900 -0.789 0.000 0.990 696 G CA 0.199 44.681 45.100 -1.029 0.000 0.627 696 G HN 1.628 nan 8.290 nan 0.000 0.522 697 G N -1.646 106.752 108.800 -0.671 0.000 2.895 697 G HA2 0.183 4.144 3.960 0.002 0.000 0.686 697 G HA3 0.183 4.144 3.960 0.002 0.000 0.686 697 G C 0.144 175.036 174.900 -0.013 0.000 1.108 697 G CA 0.132 45.121 45.100 -0.184 0.000 0.761 697 G HN 1.457 nan 8.290 nan 0.000 0.611 698 F N 2.100 122.021 119.950 -0.047 0.000 2.094 698 F HA 0.215 4.743 4.527 0.002 0.000 0.291 698 F C 2.209 178.047 175.800 0.064 0.000 1.109 698 F CA 2.248 60.264 58.000 0.025 0.000 1.221 698 F CB -0.173 38.870 39.000 0.071 0.000 1.014 698 F HN 0.940 nan 8.300 nan 0.000 0.473 699 T N -0.919 113.685 114.554 0.083 0.000 2.847 699 T HA 0.362 4.713 4.350 0.002 0.000 0.279 699 T C 0.404 175.140 174.700 0.059 0.000 0.984 699 T CA -0.669 61.459 62.100 0.048 0.000 0.988 699 T CB 1.015 69.972 68.868 0.148 0.000 1.040 699 T HN 0.141 nan 8.240 nan 0.000 0.528 700 S N 0.798 116.548 115.700 0.084 0.000 2.569 700 S HA 0.187 4.658 4.470 0.002 0.000 0.274 700 S C 0.272 174.965 174.600 0.154 0.000 1.353 700 S CA -0.073 58.187 58.200 0.099 0.000 1.023 700 S CB -0.172 63.059 63.200 0.052 0.000 0.876 700 S HN 0.960 nan 8.310 nan 0.000 0.540 701 Y N -1.004 119.317 120.300 0.034 0.000 2.494 701 Y HA 0.437 4.988 4.550 0.002 0.000 0.271 701 Y C 0.200 176.138 175.900 0.064 0.000 1.113 701 Y CA -0.632 57.505 58.100 0.060 0.000 1.240 701 Y CB -0.014 38.490 38.460 0.075 0.000 1.268 701 Y HN 0.461 nan 8.280 nan 0.000 0.510 702 D N 2.413 122.353 120.400 -0.767 0.000 2.338 702 D HA 0.029 4.670 4.640 0.002 0.000 0.255 702 D C 0.234 176.418 176.300 -0.193 0.000 1.237 702 D CA 0.255 53.947 54.000 -0.514 0.000 0.883 702 D CB 0.628 41.044 40.800 -0.639 0.000 1.087 702 D HN 0.341 nan 8.370 nan 0.000 0.485 703 N N 3.038 121.693 118.700 -0.075 0.000 2.396 703 N HA -0.123 4.618 4.740 0.002 0.000 0.180 703 N C 0.912 176.402 175.510 -0.033 0.000 1.028 703 N CA 0.757 53.793 53.050 -0.024 0.000 0.893 703 N CB 0.308 38.805 38.487 0.017 0.000 0.967 703 N HN 0.507 nan 8.380 nan 0.000 0.440 704 E N -0.171 119.998 120.200 -0.051 0.000 2.276 704 E HA 0.097 4.448 4.350 0.002 0.000 0.193 704 E C 0.011 176.573 176.600 -0.064 0.000 0.983 704 E CA 0.347 56.721 56.400 -0.044 0.000 0.861 704 E CB 0.224 29.904 29.700 -0.033 0.000 0.817 704 E HN 0.089 nan 8.360 nan 0.000 0.485 705 N N 0.292 118.930 118.700 -0.102 0.000 2.621 705 N HA -0.005 4.736 4.740 0.002 0.000 0.271 705 N C 0.134 175.549 175.510 -0.159 0.000 1.181 705 N CA -0.073 52.905 53.050 -0.120 0.000 0.805 705 N CB 0.846 39.256 38.487 -0.129 0.000 1.351 705 N HN 0.016 nan 8.380 nan 0.000 0.539 706 Q N 1.925 121.661 119.800 -0.107 0.000 2.234 706 Q HA -0.096 4.245 4.340 0.002 0.000 0.206 706 Q C 0.588 176.526 176.000 -0.103 0.000 0.980 706 Q CA 1.215 56.967 55.803 -0.086 0.000 0.869 706 Q CB 0.020 28.776 28.738 0.029 0.000 0.912 706 Q HN 0.434 nan 8.270 nan 0.000 0.436 707 R N 0.680 121.093 120.500 -0.144 0.000 2.276 707 R HA 0.057 4.398 4.340 0.002 0.000 0.203 707 R C 0.157 176.344 176.300 -0.189 0.000 1.017 707 R CA 0.696 56.694 56.100 -0.170 0.000 1.010 707 R CB -0.019 30.077 30.300 -0.339 0.000 0.900 707 R HN 0.185 nan 8.270 nan 0.000 0.469 708 T N 3.856 118.280 114.554 -0.216 0.000 2.793 708 T HA 0.072 4.423 4.350 0.002 0.000 0.289 708 T C -2.272 172.344 174.700 -0.140 0.000 0.956 708 T CA -0.895 61.082 62.100 -0.205 0.000 1.177 708 T CB 0.788 69.517 68.868 -0.231 0.000 0.897 708 T HN -0.011 nan 8.240 nan 0.000 0.533 709 P HA 0.111 nan 4.420 nan 0.000 0.272 709 P C 0.325 177.702 177.300 0.129 0.000 1.230 709 P CA -0.835 62.134 63.100 -0.218 0.000 0.788 709 P CB 0.377 31.598 31.700 -0.798 0.000 0.949 710 C N 2.824 122.196 119.300 0.120 0.000 2.563 710 C HA 0.109 4.570 4.460 0.002 0.000 0.411 710 C C 1.150 176.224 174.990 0.139 0.000 1.386 710 C CA 0.447 59.496 59.018 0.051 0.000 1.703 710 C CB -1.564 26.147 27.740 -0.047 0.000 2.596 710 C HN 0.778 nan 8.230 nan 0.000 0.605 711 T N 3.616 118.213 114.554 0.072 0.000 2.856 711 T HA 0.338 4.689 4.350 0.002 0.000 0.306 711 T C 1.407 176.121 174.700 0.023 0.000 1.062 711 T CA 0.084 62.256 62.100 0.119 0.000 1.083 711 T CB 1.143 70.058 68.868 0.079 0.000 0.984 711 T HN 1.050 nan 8.240 nan 0.000 0.542 712 G N 0.642 109.492 108.800 0.084 0.000 2.440 712 G HA2 -0.260 3.701 3.960 0.002 0.000 0.218 712 G HA3 -0.260 3.701 3.960 0.002 0.000 0.218 712 G C 1.156 175.982 174.900 -0.123 0.000 1.154 712 G CA 1.119 46.169 45.100 -0.084 0.000 0.767 712 G HN 0.924 nan 8.290 nan 0.000 0.552 713 D N -0.530 119.851 120.400 -0.031 0.000 2.123 713 D HA -0.055 4.586 4.640 0.002 0.000 0.200 713 D C 2.320 178.598 176.300 -0.036 0.000 0.976 713 D CA 0.513 54.500 54.000 -0.022 0.000 0.831 713 D CB -0.166 40.645 40.800 0.018 0.000 0.974 713 D HN 0.167 nan 8.370 nan 0.000 0.469 714 L N 0.014 121.218 121.223 -0.031 0.000 2.093 714 L HA -0.018 4.323 4.340 0.002 0.000 0.208 714 L C 2.125 179.006 176.870 0.020 0.000 1.085 714 L CA 1.378 56.212 54.840 -0.009 0.000 0.755 714 L CB -0.573 41.474 42.059 -0.020 0.000 0.904 714 L HN 0.171 nan 8.230 nan 0.000 0.435 715 M N -1.443 118.095 119.600 -0.104 0.000 2.117 715 M HA -0.140 4.341 4.480 0.002 0.000 0.262 715 M C 2.039 178.281 176.300 -0.097 0.000 1.065 715 M CA 1.900 57.100 55.300 -0.168 0.000 1.114 715 M CB -0.602 31.656 32.600 -0.570 0.000 1.361 715 M HN 0.067 nan 8.290 nan 0.000 0.408 716 V N 0.700 120.536 119.914 -0.130 0.000 2.287 716 V HA -0.286 3.835 4.120 0.002 0.000 0.248 716 V C 2.617 178.651 176.094 -0.100 0.000 1.053 716 V CA 1.826 64.063 62.300 -0.105 0.000 1.027 716 V CB -0.876 30.892 31.823 -0.093 0.000 0.646 716 V HN 0.416 nan 8.190 nan 0.000 0.447 717 R N -1.165 119.298 120.500 -0.063 0.000 2.096 717 R HA -0.135 4.206 4.340 0.002 0.000 0.235 717 R C 2.092 178.380 176.300 -0.018 0.000 1.127 717 R CA 1.421 57.480 56.100 -0.068 0.000 0.968 717 R CB -1.096 29.167 30.300 -0.062 0.000 0.861 717 R HN 0.535 nan 8.270 nan 0.000 0.440 718 Y N 0.947 121.219 120.300 -0.047 0.000 2.097 718 Y HA -0.201 4.350 4.550 0.002 0.000 0.282 718 Y C 2.517 178.456 175.900 0.066 0.000 1.152 718 Y CA 1.249 59.355 58.100 0.010 0.000 1.136 718 Y CB -0.479 37.977 38.460 -0.006 0.000 0.975 718 Y HN -0.248 nan 8.280 nan 0.000 0.498 719 V N -0.089 119.966 119.914 0.235 0.000 2.343 719 V HA -0.337 3.785 4.120 0.002 0.000 0.247 719 V C 2.080 178.273 176.094 0.165 0.000 1.051 719 V CA 2.196 64.650 62.300 0.257 0.000 1.036 719 V CB -0.624 31.291 31.823 0.153 0.000 0.654 719 V HN 0.450 nan 8.190 nan 0.000 0.451 720 Q N -0.290 119.450 119.800 -0.099 0.000 2.119 720 Q HA -0.101 4.240 4.340 0.002 0.000 0.201 720 Q C 2.355 178.355 176.000 -0.000 0.000 0.972 720 Q CA 1.586 57.218 55.803 -0.286 0.000 0.847 720 Q CB -0.359 28.031 28.738 -0.580 0.000 0.903 720 Q HN 0.671 nan 8.270 nan 0.000 0.433 721 A N 0.467 123.328 122.820 0.068 0.000 2.014 721 A HA -0.009 4.312 4.320 0.002 0.000 0.218 721 A C 2.009 179.741 177.584 0.247 0.000 1.163 721 A CA 1.397 53.527 52.037 0.156 0.000 0.652 721 A CB -0.378 18.671 19.000 0.082 0.000 0.808 721 A HN 0.431 nan 8.150 nan 0.000 0.449 722 G N -1.245 107.725 108.800 0.283 0.000 3.126 722 G HA2 0.078 4.039 3.960 0.002 0.000 0.224 722 G HA3 0.078 4.039 3.960 0.002 0.000 0.224 722 G C 1.265 176.282 174.900 0.195 0.000 1.142 722 G CA 0.801 46.108 45.100 0.345 0.000 0.759 722 G HN 0.813 nan 8.290 nan 0.000 0.550 723 C N -0.867 118.463 119.300 0.050 0.000 2.472 723 C HA 0.374 4.835 4.460 0.002 0.000 0.278 723 C C 1.700 176.597 174.990 -0.154 0.000 1.447 723 C CA -0.013 58.794 59.018 -0.351 0.000 1.773 723 C CB -0.936 26.825 27.740 0.035 0.000 1.793 723 C HN 0.225 nan 8.230 nan 0.000 0.544 724 L N 0.225 121.515 121.223 0.111 0.000 3.229 724 L HA 0.418 4.759 4.340 0.002 0.000 0.286 724 L C 0.097 177.082 176.870 0.193 0.000 1.239 724 L CA -0.122 54.830 54.840 0.188 0.000 1.035 724 L CB -0.001 42.261 42.059 0.338 0.000 1.408 724 L HN 0.255 nan 8.230 nan 0.000 0.593 725 L N 0.449 121.769 121.223 0.161 0.000 2.399 725 L HA 0.267 4.608 4.340 0.002 0.000 0.266 725 L C -1.230 175.786 176.870 0.243 0.000 1.114 725 L CA -1.665 53.266 54.840 0.152 0.000 0.804 725 L CB 0.849 42.989 42.059 0.134 0.000 1.146 725 L HN -0.187 nan 8.230 nan 0.000 0.451 726 P HA -0.174 nan 4.420 nan 0.000 0.215 726 P C -0.368 177.231 177.300 0.499 0.000 1.157 726 P CA 1.191 64.547 63.100 0.425 0.000 0.868 726 P CB 0.156 32.057 31.700 0.335 0.000 0.788 727 W N 0.438 121.872 121.300 0.224 0.000 2.329 727 W HA 0.445 5.106 4.660 0.002 0.000 0.312 727 W C -1.751 174.992 176.519 0.374 0.000 1.054 727 W CA -0.905 56.572 57.345 0.219 0.000 1.245 727 W CB 0.795 30.338 29.460 0.138 0.000 1.255 727 W HN -0.234 nan 8.180 nan 0.000 0.436 728 F N 8.262 127.975 119.950 -0.396 0.000 2.552 728 F HA 0.438 4.966 4.527 0.002 0.000 0.369 728 F C -0.939 174.695 175.800 -0.276 0.000 1.112 728 F CA -0.958 56.948 58.000 -0.158 0.000 1.129 728 F CB 0.383 39.476 39.000 0.156 0.000 1.360 728 F HN 0.451 nan 8.300 nan 0.000 0.473 729 R N 4.558 124.696 120.500 -0.604 0.000 2.533 729 R HA 0.297 4.638 4.340 0.002 0.000 0.288 729 R C -1.547 174.610 176.300 -0.239 0.000 1.039 729 R CA -0.638 55.136 56.100 -0.543 0.000 0.909 729 R CB 1.186 31.039 30.300 -0.745 0.000 1.195 729 R HN 0.528 nan 8.270 nan 0.000 0.438 730 N N 3.105 121.740 118.700 -0.108 0.000 2.408 730 N HA 0.070 4.811 4.740 0.002 0.000 0.257 730 N C -1.610 174.003 175.510 0.172 0.000 1.064 730 N CA 0.195 53.286 53.050 0.069 0.000 0.952 730 N CB 0.692 39.315 38.487 0.226 0.000 1.093 730 N HN 0.650 nan 8.380 nan 0.000 0.490 731 H N 3.140 122.272 119.070 0.103 0.000 2.865 731 H HA 0.440 4.997 4.556 0.002 0.000 0.362 731 H C -1.450 174.109 175.328 0.384 0.000 1.114 731 H CA -0.599 55.567 56.048 0.197 0.000 1.208 731 H CB 0.641 30.412 29.762 0.015 0.000 1.727 731 H HN 0.528 nan 8.280 nan 0.000 0.534 732 Y N 0.981 121.069 120.300 -0.354 0.000 2.638 732 Y HA 0.418 4.969 4.550 0.002 0.000 0.335 732 Y C -1.465 173.953 175.900 -0.804 0.000 1.155 732 Y CA -1.357 56.401 58.100 -0.570 0.000 1.046 732 Y CB 1.131 39.418 38.460 -0.288 0.000 1.303 732 Y HN 0.516 nan 8.280 nan 0.000 0.460 733 D N 2.073 121.781 120.400 -1.153 0.000 2.316 733 D HA 0.206 4.847 4.640 0.002 0.000 0.245 733 D C -0.856 175.246 176.300 -0.330 0.000 1.171 733 D CA -0.209 53.378 54.000 -0.689 0.000 0.856 733 D CB 0.723 41.204 40.800 -0.530 0.000 1.090 733 D HN 0.678 nan 8.370 nan 0.000 0.476 734 R N 4.395 124.653 120.500 -0.403 0.000 2.295 734 R HA 0.199 4.540 4.340 0.002 0.000 0.324 734 R C -0.799 175.441 176.300 -0.101 0.000 0.968 734 R CA -0.901 55.095 56.100 -0.173 0.000 0.837 734 R CB 0.509 30.641 30.300 -0.279 0.000 1.133 734 R HN 0.537 nan 8.270 nan 0.000 0.450 735 W N 8.278 129.510 121.300 -0.112 0.000 2.505 735 W HA 0.107 4.768 4.660 0.002 0.000 0.332 735 W C -0.266 176.178 176.519 -0.124 0.000 1.434 735 W CA 0.042 57.309 57.345 -0.131 0.000 1.320 735 W CB 0.256 29.674 29.460 -0.070 0.000 1.363 735 W HN 0.515 nan 8.180 nan 0.000 0.565 736 I N 2.124 122.345 120.570 -0.583 0.000 3.042 736 I HA 0.367 4.538 4.170 0.002 0.000 0.310 736 I C 0.992 176.420 176.117 -1.148 0.000 1.117 736 I CA -0.994 59.991 61.300 -0.526 0.000 1.003 736 I CB 2.101 39.929 38.000 -0.286 0.000 1.228 736 I HN 0.522 nan 8.210 nan 0.000 0.443 737 E N 1.753 121.555 120.200 -0.663 0.000 2.097 737 E HA -0.235 4.116 4.350 0.002 0.000 0.196 737 E C 1.626 177.960 176.600 -0.444 0.000 1.000 737 E CA 2.452 58.550 56.400 -0.503 0.000 0.804 737 E CB 0.118 29.753 29.700 -0.107 0.000 0.740 737 E HN 0.817 nan 8.360 nan 0.000 0.454 738 S N -0.794 114.689 115.700 -0.362 0.000 2.593 738 S HA 0.051 4.522 4.470 0.002 0.000 0.217 738 S C 0.802 175.199 174.600 -0.338 0.000 0.966 738 S CA -0.094 57.942 58.200 -0.274 0.000 0.914 738 S CB 0.314 63.401 63.200 -0.189 0.000 0.776 738 S HN 0.115 nan 8.310 nan 0.000 0.523 739 K N 2.049 122.131 120.400 -0.530 0.000 3.088 739 K HA 0.079 4.400 4.320 0.002 0.000 0.193 739 K C -1.488 174.576 176.600 -0.893 0.000 1.176 739 K CA -0.123 55.799 56.287 -0.607 0.000 0.907 739 K CB 0.266 32.375 32.500 -0.650 0.000 1.139 739 K HN 0.215 nan 8.250 nan 0.000 0.597 740 D N 2.245 122.185 120.400 -0.766 0.000 2.977 740 D HA -0.004 4.637 4.640 0.002 0.000 0.241 740 D C -0.266 175.816 176.300 -0.365 0.000 1.206 740 D CA 0.182 53.593 54.000 -0.982 0.000 0.902 740 D CB -0.503 40.053 40.800 -0.406 0.000 1.131 740 D HN 0.530 nan 8.370 nan 0.000 0.447 741 H N -2.997 115.915 119.070 -0.264 0.000 2.961 741 H HA 0.771 5.328 4.556 0.002 0.000 0.371 741 H C 0.410 175.781 175.328 0.071 0.000 1.190 741 H CA -0.730 55.353 56.048 0.058 0.000 1.138 741 H CB 1.707 31.508 29.762 0.066 0.000 1.816 741 H HN 0.240 nan 8.280 nan 0.000 0.551 742 G N 0.731 109.714 108.800 0.305 0.000 2.373 742 G HA2 0.020 3.982 3.960 0.002 0.000 0.634 742 G HA3 0.020 3.982 3.960 0.002 0.000 0.634 742 G C -1.462 173.558 174.900 0.200 0.000 1.267 742 G CA -0.934 44.279 45.100 0.188 0.000 1.008 742 G HN 0.728 nan 8.290 nan 0.000 0.497 743 K N -0.320 120.175 120.400 0.159 0.000 2.095 743 K HA 0.487 4.808 4.320 0.002 0.000 0.252 743 K C 0.479 177.156 176.600 0.128 0.000 0.977 743 K CA -0.724 55.616 56.287 0.088 0.000 0.900 743 K CB 1.285 33.800 32.500 0.026 0.000 1.060 743 K HN 0.373 nan 8.250 nan 0.000 0.449 744 D N 0.252 120.628 120.400 -0.041 0.000 2.117 744 D HA -0.090 4.551 4.640 0.002 0.000 0.197 744 D C 0.048 176.439 176.300 0.153 0.000 0.987 744 D CA 1.724 55.734 54.000 0.018 0.000 0.829 744 D CB 0.028 40.772 40.800 -0.094 0.000 0.961 744 D HN 0.482 nan 8.370 nan 0.000 0.460 745 Y N -3.554 116.738 120.300 -0.013 0.000 2.741 745 Y HA 0.453 5.004 4.550 0.002 0.000 0.339 745 Y C -0.114 175.468 175.900 -0.529 0.000 1.226 745 Y CA -0.920 57.076 58.100 -0.173 0.000 1.072 745 Y CB 0.855 39.193 38.460 -0.204 0.000 1.331 745 Y HN -0.236 nan 8.280 nan 0.000 0.453 746 Q N -0.429 119.088 119.800 -0.471 0.000 1.719 746 Q HA 0.223 4.564 4.340 0.002 0.000 0.171 746 Q C -1.133 174.765 176.000 -0.170 0.000 0.727 746 Q CA -0.066 55.454 55.803 -0.470 0.000 0.786 746 Q CB 0.520 28.587 28.738 -1.119 0.000 1.209 746 Q HN 0.786 nan 8.270 nan 0.000 0.383 747 E N 0.888 120.923 120.200 -0.275 0.000 2.415 747 E HA -0.016 4.336 4.350 0.002 0.000 0.262 747 E C 0.803 177.175 176.600 -0.378 0.000 1.038 747 E CA 0.247 56.437 56.400 -0.349 0.000 0.921 747 E CB 0.581 29.747 29.700 -0.890 0.000 0.950 747 E HN 0.284 nan 8.360 nan 0.000 0.438 748 L N 1.768 122.848 121.223 -0.238 0.000 2.131 748 L HA -0.184 4.157 4.340 0.002 0.000 0.210 748 L C 1.937 178.667 176.870 -0.233 0.000 1.092 748 L CA 1.087 55.842 54.840 -0.141 0.000 0.759 748 L CB -0.648 41.280 42.059 -0.219 0.000 0.903 748 L HN 0.740 nan 8.230 nan 0.000 0.435 749 Y N -2.711 117.244 120.300 -0.575 0.000 2.616 749 Y HA 0.025 4.576 4.550 0.002 0.000 0.296 749 Y C 2.039 177.806 175.900 -0.223 0.000 1.154 749 Y CA 0.177 58.086 58.100 -0.319 0.000 1.325 749 Y CB -0.426 37.744 38.460 -0.484 0.000 1.007 749 Y HN 0.051 nan 8.280 nan 0.000 0.542 750 M N 0.132 119.353 119.600 -0.633 0.000 2.505 750 M HA 0.131 4.612 4.480 0.002 0.000 0.230 750 M C -1.179 174.704 176.300 -0.696 0.000 1.153 750 M CA 0.146 55.009 55.300 -0.728 0.000 0.997 750 M CB -0.960 30.980 32.600 -1.099 0.000 1.606 750 M HN 0.349 nan 8.290 nan 0.000 0.481 751 Y N 0.545 120.777 120.300 -0.114 0.000 2.863 751 Y HA 0.290 4.841 4.550 0.002 0.000 0.348 751 Y C -1.583 174.333 175.900 0.026 0.000 1.028 751 Y CA -1.963 56.129 58.100 -0.013 0.000 1.213 751 Y CB 0.326 38.798 38.460 0.020 0.000 1.120 751 Y HN 0.084 nan 8.280 nan 0.000 0.598 752 P HA -0.175 nan 4.420 nan 0.000 0.215 752 P C 0.732 178.093 177.300 0.102 0.000 1.153 752 P CA 1.565 64.716 63.100 0.085 0.000 0.853 752 P CB 0.581 32.302 31.700 0.034 0.000 0.788 753 N N -0.006 118.759 118.700 0.108 0.000 2.396 753 N HA -0.102 4.639 4.740 0.002 0.000 0.180 753 N C 1.135 176.703 175.510 0.098 0.000 1.028 753 N CA 1.013 54.118 53.050 0.091 0.000 0.893 753 N CB -0.215 38.323 38.487 0.084 0.000 0.967 753 N HN 0.304 nan 8.380 nan 0.000 0.440 754 E N -0.282 119.999 120.200 0.135 0.000 2.498 754 E HA 0.220 4.571 4.350 0.002 0.000 0.203 754 E C 1.526 178.215 176.600 0.149 0.000 1.013 754 E CA -0.215 56.254 56.400 0.114 0.000 0.927 754 E CB 0.213 29.956 29.700 0.071 0.000 1.012 754 E HN 0.193 nan 8.360 nan 0.000 0.482 755 M N 0.734 120.443 119.600 0.181 0.000 2.108 755 M HA -0.221 4.261 4.480 0.002 0.000 0.261 755 M C 0.714 177.090 176.300 0.126 0.000 1.066 755 M CA 1.647 57.090 55.300 0.238 0.000 1.107 755 M CB 0.119 32.858 32.600 0.232 0.000 1.356 755 M HN 0.017 nan 8.290 nan 0.000 0.406 756 D N -0.249 120.188 120.400 0.061 0.000 2.092 756 D HA -0.153 4.488 4.640 0.002 0.000 0.193 756 D C 1.866 178.185 176.300 0.032 0.000 0.994 756 D CA 2.033 56.035 54.000 0.005 0.000 0.828 756 D CB -0.645 40.157 40.800 0.003 0.000 0.963 756 D HN 0.365 nan 8.370 nan 0.000 0.450 757 T N 1.079 115.687 114.554 0.091 0.000 2.746 757 T HA -0.079 4.272 4.350 0.002 0.000 0.267 757 T C 2.217 177.078 174.700 0.268 0.000 1.039 757 T CA 0.615 62.820 62.100 0.175 0.000 1.142 757 T CB -0.296 68.665 68.868 0.155 0.000 0.866 757 T HN 0.109 nan 8.240 nan 0.000 0.444 758 L N 0.368 121.724 121.223 0.221 0.000 2.017 758 L HA -0.074 4.267 4.340 0.002 0.000 0.208 758 L C 2.882 179.948 176.870 0.327 0.000 1.073 758 L CA 1.435 56.454 54.840 0.298 0.000 0.745 758 L CB -0.517 41.754 42.059 0.353 0.000 0.894 758 L HN 0.151 nan 8.230 nan 0.000 0.432 759 R N 1.221 121.766 120.500 0.077 0.000 2.083 759 R HA -0.217 4.124 4.340 0.002 0.000 0.237 759 R C 2.410 178.661 176.300 -0.081 0.000 1.137 759 R CA 2.026 57.934 56.100 -0.319 0.000 0.951 759 R CB -0.145 29.689 30.300 -0.777 0.000 0.851 759 R HN 0.407 nan 8.270 nan 0.000 0.434 760 K N -0.961 119.419 120.400 -0.034 0.000 2.211 760 K HA -0.129 4.192 4.320 0.002 0.000 0.203 760 K C 1.685 178.236 176.600 -0.082 0.000 1.050 760 K CA 1.386 57.624 56.287 -0.081 0.000 0.945 760 K CB -0.272 32.138 32.500 -0.150 0.000 0.732 760 K HN 0.145 nan 8.250 nan 0.000 0.451 761 F N 1.603 121.579 119.950 0.043 0.000 2.259 761 F HA -0.072 4.456 4.527 0.002 0.000 0.298 761 F C 2.192 178.099 175.800 0.179 0.000 1.088 761 F CA 0.668 58.733 58.000 0.108 0.000 1.358 761 F CB 0.047 39.098 39.000 0.085 0.000 1.040 761 F HN -0.206 nan 8.300 nan 0.000 0.505 762 V N -0.338 119.757 119.914 0.302 0.000 2.379 762 V HA -0.228 3.893 4.120 0.002 0.000 0.245 762 V C 2.024 178.224 176.094 0.177 0.000 1.044 762 V CA 1.740 64.198 62.300 0.263 0.000 1.036 762 V CB -0.643 31.313 31.823 0.222 0.000 0.664 762 V HN 0.278 nan 8.190 nan 0.000 0.453 763 E N -0.171 120.079 120.200 0.083 0.000 2.058 763 E HA -0.265 4.086 4.350 0.002 0.000 0.194 763 E C 2.048 178.722 176.600 0.122 0.000 0.997 763 E CA 1.730 58.170 56.400 0.066 0.000 0.801 763 E CB -0.306 29.404 29.700 0.017 0.000 0.746 763 E HN 0.580 nan 8.360 nan 0.000 0.450 764 F N 2.026 121.924 119.950 -0.087 0.000 2.095 764 F HA -0.226 4.303 4.527 0.002 0.000 0.298 764 F C 2.428 178.168 175.800 -0.100 0.000 1.104 764 F CA 1.818 59.699 58.000 -0.200 0.000 1.232 764 F CB -0.134 38.663 39.000 -0.338 0.000 0.987 764 F HN -0.202 nan 8.300 nan 0.000 0.475 765 R N -1.225 119.275 120.500 -0.000 0.000 2.081 765 R HA -0.221 4.120 4.340 0.002 0.000 0.235 765 R C 2.266 178.596 176.300 0.050 0.000 1.131 765 R CA 1.887 57.972 56.100 -0.025 0.000 0.960 765 R CB -0.823 29.516 30.300 0.065 0.000 0.856 765 R HN 0.330 nan 8.270 nan 0.000 0.436 766 Y N 0.726 121.003 120.300 -0.039 0.000 2.181 766 Y HA -0.094 4.457 4.550 0.002 0.000 0.288 766 Y C 2.476 178.320 175.900 -0.094 0.000 1.146 766 Y CA 1.394 59.477 58.100 -0.029 0.000 1.164 766 Y CB -0.234 38.263 38.460 0.062 0.000 0.982 766 Y HN 0.037 nan 8.280 nan 0.000 0.515 767 R N -1.640 118.865 120.500 0.007 0.000 2.127 767 R HA -0.213 4.128 4.340 0.002 0.000 0.238 767 R C 0.752 177.030 176.300 -0.036 0.000 1.134 767 R CA 1.328 57.345 56.100 -0.139 0.000 0.975 767 R CB -0.401 29.756 30.300 -0.238 0.000 0.865 767 R HN 0.312 nan 8.270 nan 0.000 0.447 768 W N 2.362 123.509 121.300 -0.255 0.000 3.269 768 W HA 0.094 4.755 4.660 0.002 0.000 0.413 768 W C 1.409 177.770 176.519 -0.263 0.000 1.057 768 W CA -0.581 56.606 57.345 -0.263 0.000 1.953 768 W CB -0.439 28.816 29.460 -0.342 0.000 1.053 768 W HN 0.266 nan 8.180 nan 0.000 0.753 769 Q N -0.307 119.436 119.800 -0.095 0.000 2.135 769 Q HA -0.210 4.131 4.340 0.002 0.000 0.204 769 Q C 1.127 176.991 176.000 -0.226 0.000 0.981 769 Q CA 1.490 57.151 55.803 -0.237 0.000 0.856 769 Q CB -0.338 28.177 28.738 -0.372 0.000 0.902 769 Q HN 0.098 nan 8.270 nan 0.000 0.425 770 E N 0.987 121.098 120.200 -0.148 0.000 2.152 770 E HA -0.058 4.293 4.350 0.002 0.000 0.192 770 E C 2.325 178.853 176.600 -0.119 0.000 0.983 770 E CA 0.849 57.199 56.400 -0.084 0.000 0.818 770 E CB -0.216 29.439 29.700 -0.075 0.000 0.758 770 E HN 0.255 nan 8.360 nan 0.000 0.467 771 V N 1.831 121.630 119.914 -0.192 0.000 2.255 771 V HA -0.269 3.852 4.120 0.002 0.000 0.247 771 V C 2.530 178.460 176.094 -0.274 0.000 1.051 771 V CA 1.603 63.733 62.300 -0.283 0.000 1.018 771 V CB -0.627 30.890 31.823 -0.510 0.000 0.641 771 V HN 0.186 nan 8.190 nan 0.000 0.445 772 L N -1.734 119.287 121.223 -0.335 0.000 2.017 772 L HA -0.199 4.142 4.340 0.002 0.000 0.208 772 L C 2.519 178.971 176.870 -0.697 0.000 1.073 772 L CA 1.867 56.377 54.840 -0.550 0.000 0.745 772 L CB -0.715 40.890 42.059 -0.758 0.000 0.894 772 L HN 0.323 nan 8.230 nan 0.000 0.432 773 Y N 0.826 120.679 120.300 -0.744 0.000 2.181 773 Y HA -0.244 4.307 4.550 0.002 0.000 0.288 773 Y C 2.751 178.494 175.900 -0.263 0.000 1.146 773 Y CA 1.784 59.584 58.100 -0.499 0.000 1.164 773 Y CB -0.596 37.713 38.460 -0.250 0.000 0.982 773 Y HN 0.084 nan 8.280 nan 0.000 0.515 774 T N 0.128 114.624 114.554 -0.097 0.000 2.777 774 T HA -0.138 4.213 4.350 0.002 0.000 0.266 774 T C 2.150 176.806 174.700 -0.074 0.000 1.040 774 T CA 1.291 63.368 62.100 -0.039 0.000 1.141 774 T CB -0.680 68.209 68.868 0.035 0.000 0.868 774 T HN 0.422 nan 8.240 nan 0.000 0.444 775 A N 1.344 124.077 122.820 -0.144 0.000 1.908 775 A HA -0.134 4.187 4.320 0.002 0.000 0.218 775 A C 2.225 179.703 177.584 -0.176 0.000 1.181 775 A CA 1.981 53.931 52.037 -0.145 0.000 0.627 775 A CB -0.649 18.252 19.000 -0.166 0.000 0.818 775 A HN 0.438 nan 8.150 nan 0.000 0.445 776 M N -1.670 117.799 119.600 -0.220 0.000 2.175 776 M HA -0.080 4.401 4.480 0.002 0.000 0.264 776 M C 1.925 178.012 176.300 -0.356 0.000 1.063 776 M CA 1.802 56.979 55.300 -0.205 0.000 1.119 776 M CB -0.770 31.804 32.600 -0.043 0.000 1.377 776 M HN 0.533 nan 8.290 nan 0.000 0.415 777 Y N 0.589 120.529 120.300 -0.601 0.000 2.165 777 Y HA -0.251 4.300 4.550 0.002 0.000 0.286 777 Y C 2.071 177.666 175.900 -0.509 0.000 1.155 777 Y CA 2.244 59.894 58.100 -0.750 0.000 1.164 777 Y CB -0.557 37.303 38.460 -0.999 0.000 0.978 777 Y HN 0.406 nan 8.280 nan 0.000 0.513 778 Q N 0.025 119.535 119.800 -0.482 0.000 2.170 778 Q HA -0.214 4.127 4.340 0.002 0.000 0.203 778 Q C 2.195 177.971 176.000 -0.373 0.000 0.976 778 Q CA 1.330 56.909 55.803 -0.373 0.000 0.858 778 Q CB -0.294 28.430 28.738 -0.023 0.000 0.907 778 Q HN 0.570 nan 8.270 nan 0.000 0.433 779 N N 0.351 118.846 118.700 -0.341 0.000 2.109 779 N HA -0.124 4.617 4.740 0.002 0.000 0.188 779 N C 1.710 176.977 175.510 -0.405 0.000 1.034 779 N CA 1.319 54.189 53.050 -0.300 0.000 0.846 779 N CB -0.006 38.342 38.487 -0.231 0.000 1.010 779 N HN 0.187 nan 8.380 nan 0.000 0.425 780 A N 0.591 123.114 122.820 -0.494 0.000 1.978 780 A HA -0.004 4.317 4.320 0.002 0.000 0.220 780 A C 2.253 179.489 177.584 -0.579 0.000 1.170 780 A CA 2.062 53.800 52.037 -0.498 0.000 0.636 780 A CB -0.609 18.095 19.000 -0.493 0.000 0.810 780 A HN 0.512 nan 8.150 nan 0.000 0.448 781 A N -1.868 120.409 122.820 -0.905 0.000 1.924 781 A HA 0.400 4.721 4.320 0.002 0.000 0.211 781 A C 1.462 178.546 177.584 -0.835 0.000 1.198 781 A CA 1.079 52.473 52.037 -1.071 0.000 0.657 781 A CB -0.154 17.732 19.000 -1.858 0.000 0.852 781 A HN 0.460 nan 8.150 nan 0.000 0.454 782 F N -1.223 118.548 119.950 -0.298 0.000 2.706 782 F HA 0.420 4.948 4.527 0.002 0.000 0.308 782 F C 1.715 177.427 175.800 -0.147 0.000 1.095 782 F CA -0.216 57.680 58.000 -0.174 0.000 1.244 782 F CB -0.081 38.833 39.000 -0.144 0.000 1.063 782 F HN 0.327 nan 8.300 nan 0.000 0.582 783 G N 1.066 109.810 108.800 -0.094 0.000 2.148 783 G HA2 -0.326 3.635 3.960 0.002 0.000 0.254 783 G HA3 -0.326 3.635 3.960 0.002 0.000 0.254 783 G C 0.330 175.190 174.900 -0.067 0.000 0.981 783 G CA -0.173 44.861 45.100 -0.110 0.000 0.670 783 G HN 0.339 nan 8.290 nan 0.000 0.528 784 K N 1.778 122.158 120.400 -0.032 0.000 2.416 784 K HA 0.291 4.612 4.320 0.002 0.000 0.283 784 K C -1.964 174.594 176.600 -0.071 0.000 1.037 784 K CA -1.126 55.147 56.287 -0.025 0.000 0.995 784 K CB 0.810 33.314 32.500 0.006 0.000 0.938 784 K HN 0.161 nan 8.250 nan 0.000 0.475 785 P HA -0.052 nan 4.420 nan 0.000 0.268 785 P C 0.523 177.768 177.300 -0.091 0.000 1.204 785 P CA 0.299 63.357 63.100 -0.070 0.000 0.768 785 P CB 0.609 32.285 31.700 -0.040 0.000 0.842 786 I N 2.482 123.005 120.570 -0.079 0.000 2.113 786 I HA -0.138 4.033 4.170 0.002 0.000 0.238 786 I C 1.217 177.291 176.117 -0.072 0.000 1.070 786 I CA 1.326 62.580 61.300 -0.076 0.000 1.332 786 I CB -0.225 37.754 38.000 -0.035 0.000 1.044 786 I HN 0.236 nan 8.210 nan 0.000 0.402 787 I N 2.631 123.172 120.570 -0.047 0.000 2.342 787 I HA 0.142 4.313 4.170 0.002 0.000 0.291 787 I C -0.049 176.051 176.117 -0.029 0.000 1.010 787 I CA -0.282 61.004 61.300 -0.024 0.000 1.308 787 I CB 0.688 38.633 38.000 -0.090 0.000 1.400 787 I HN 0.080 nan 8.210 nan 0.000 0.488 788 K N 5.343 125.734 120.400 -0.015 0.000 2.211 788 K HA 0.555 4.876 4.320 0.002 0.000 0.275 788 K C -0.067 176.591 176.600 0.097 0.000 1.024 788 K CA -0.562 55.707 56.287 -0.030 0.000 0.887 788 K CB 1.758 34.123 32.500 -0.223 0.000 1.084 788 K HN 0.666 nan 8.250 nan 0.000 0.463 789 A N 2.064 124.930 122.820 0.076 0.000 2.531 789 A HA 0.234 4.555 4.320 0.002 0.000 0.236 789 A C 1.437 179.100 177.584 0.132 0.000 1.062 789 A CA 0.658 52.751 52.037 0.093 0.000 0.760 789 A CB 0.110 19.105 19.000 -0.008 0.000 0.995 789 A HN 0.842 nan 8.150 nan 0.000 0.501 790 A N 1.808 124.719 122.820 0.152 0.000 2.024 790 A HA -0.073 4.248 4.320 0.002 0.000 0.220 790 A C 2.211 179.873 177.584 0.131 0.000 1.164 790 A CA 2.164 54.294 52.037 0.155 0.000 0.643 790 A CB -0.873 18.199 19.000 0.119 0.000 0.806 790 A HN 1.161 nan 8.150 nan 0.000 0.451 791 S N -0.061 115.659 115.700 0.033 0.000 2.442 791 S HA -0.103 4.368 4.470 0.002 0.000 0.236 791 S C 1.671 176.256 174.600 -0.026 0.000 1.007 791 S CA 1.480 59.646 58.200 -0.057 0.000 0.965 791 S CB -0.437 62.574 63.200 -0.315 0.000 0.773 791 S HN 0.625 nan 8.310 nan 0.000 0.504 792 M N -0.060 119.576 119.600 0.061 0.000 2.562 792 M HA 0.104 4.585 4.480 0.002 0.000 0.257 792 M C 0.256 176.645 176.300 0.149 0.000 1.099 792 M CA 0.509 55.879 55.300 0.117 0.000 1.099 792 M CB -0.188 32.543 32.600 0.218 0.000 1.427 792 M HN 0.256 nan 8.290 nan 0.000 0.489 793 Y N 2.834 123.185 120.300 0.085 0.000 2.531 793 Y HA 0.104 4.655 4.550 0.002 0.000 0.347 793 Y C 0.154 176.021 175.900 -0.055 0.000 1.024 793 Y CA -0.634 57.456 58.100 -0.017 0.000 1.306 793 Y CB 0.156 38.671 38.460 0.092 0.000 1.149 793 Y HN 0.119 nan 8.280 nan 0.000 0.527 794 N N 4.106 122.661 118.700 -0.241 0.000 2.408 794 N HA 0.089 4.830 4.740 0.002 0.000 0.260 794 N C -0.357 175.128 175.510 -0.041 0.000 1.242 794 N CA -0.179 52.795 53.050 -0.127 0.000 0.959 794 N CB 0.442 38.814 38.487 -0.192 0.000 1.201 794 N HN 0.751 nan 8.380 nan 0.000 0.511 795 N N -0.622 118.071 118.700 -0.011 0.000 2.721 795 N HA -0.202 4.539 4.740 0.002 0.000 0.249 795 N C -1.463 174.105 175.510 0.097 0.000 1.072 795 N CA 0.608 53.672 53.050 0.023 0.000 0.710 795 N CB -0.711 37.771 38.487 -0.007 0.000 0.993 795 N HN 0.498 nan 8.380 nan 0.000 0.547 796 D N -0.221 120.254 120.400 0.124 0.000 2.575 796 D HA 0.211 4.852 4.640 0.002 0.000 0.250 796 D C 0.367 176.703 176.300 0.059 0.000 1.279 796 D CA -0.392 53.698 54.000 0.151 0.000 0.925 796 D CB 0.868 41.836 40.800 0.280 0.000 1.261 796 D HN 0.157 nan 8.370 nan 0.000 0.567 797 S N 2.499 118.208 115.700 0.016 0.000 2.650 797 S HA 0.076 4.547 4.470 0.002 0.000 0.219 797 S C 0.804 175.338 174.600 -0.110 0.000 0.960 797 S CA -0.036 58.143 58.200 -0.035 0.000 0.925 797 S CB 0.114 63.298 63.200 -0.027 0.000 0.775 797 S HN 0.401 nan 8.310 nan 0.000 0.525 798 N N 0.889 119.476 118.700 -0.188 0.000 2.257 798 N HA 0.106 4.847 4.740 0.002 0.000 0.200 798 N C 1.639 176.871 175.510 -0.463 0.000 1.163 798 N CA 0.993 53.769 53.050 -0.458 0.000 0.891 798 N CB 0.986 38.909 38.487 -0.939 0.000 1.067 798 N HN 0.452 nan 8.380 nan 0.000 0.497 799 V N -0.192 119.612 119.914 -0.183 0.000 2.759 799 V HA -0.055 4.066 4.120 0.002 0.000 0.256 799 V C 2.396 178.450 176.094 -0.068 0.000 1.080 799 V CA 1.160 63.419 62.300 -0.069 0.000 1.101 799 V CB -0.652 31.210 31.823 0.064 0.000 0.698 799 V HN 0.094 nan 8.190 nan 0.000 0.477 800 R N 1.333 121.798 120.500 -0.059 0.000 2.073 800 R HA -0.219 4.122 4.340 0.002 0.000 0.234 800 R C 2.588 178.866 176.300 -0.036 0.000 1.134 800 R CA 2.134 58.230 56.100 -0.006 0.000 0.952 800 R CB -0.354 29.947 30.300 0.001 0.000 0.850 800 R HN 0.570 nan 8.270 nan 0.000 0.433 801 R N 0.337 120.774 120.500 -0.105 0.000 2.152 801 R HA -0.047 4.294 4.340 0.002 0.000 0.232 801 R C 1.501 177.733 176.300 -0.114 0.000 1.117 801 R CA 1.875 57.910 56.100 -0.108 0.000 0.981 801 R CB -0.384 29.828 30.300 -0.147 0.000 0.870 801 R HN 0.285 nan 8.270 nan 0.000 0.451 802 A N 1.005 123.714 122.820 -0.184 0.000 2.275 802 A HA 0.007 4.328 4.320 0.002 0.000 0.212 802 A C 1.695 179.234 177.584 -0.075 0.000 1.201 802 A CA 0.344 52.218 52.037 -0.272 0.000 0.843 802 A CB -0.390 18.247 19.000 -0.605 0.000 0.873 802 A HN 0.659 nan 8.150 nan 0.000 0.492 803 Q N -0.045 119.769 119.800 0.024 0.000 2.436 803 Q HA -0.122 4.219 4.340 0.002 0.000 0.209 803 Q C 0.612 176.716 176.000 0.174 0.000 0.965 803 Q CA 1.115 56.992 55.803 0.123 0.000 0.910 803 Q CB -0.404 28.423 28.738 0.149 0.000 0.980 803 Q HN 0.472 nan 8.270 nan 0.000 0.491 804 N N 2.034 120.829 118.700 0.159 0.000 2.244 804 N HA -0.111 4.630 4.740 0.002 0.000 0.183 804 N C 0.267 175.900 175.510 0.205 0.000 1.016 804 N CA 1.771 54.923 53.050 0.169 0.000 0.866 804 N CB 0.121 38.698 38.487 0.151 0.000 0.980 804 N HN 0.685 nan 8.380 nan 0.000 0.430 805 D N -2.958 117.605 120.400 0.270 0.000 2.497 805 D HA 0.048 4.689 4.640 0.002 0.000 0.256 805 D C -0.463 176.002 176.300 0.275 0.000 1.273 805 D CA -0.206 53.957 54.000 0.271 0.000 0.812 805 D CB -0.653 40.261 40.800 0.190 0.000 1.190 805 D HN 0.040 nan 8.370 nan 0.000 0.524 806 H N 0.554 119.699 119.070 0.124 0.000 2.488 806 H HA 0.618 5.175 4.556 0.002 0.000 0.322 806 H C -0.547 174.856 175.328 0.126 0.000 1.078 806 H CA -0.765 55.291 56.048 0.014 0.000 1.260 806 H CB 0.611 30.348 29.762 -0.041 0.000 1.425 806 H HN 0.116 nan 8.280 nan 0.000 0.471 807 F N 0.680 120.688 119.950 0.097 0.000 2.629 807 F HA 0.738 5.267 4.527 0.002 0.000 0.316 807 F C -1.879 173.950 175.800 0.048 0.000 1.081 807 F CA -1.385 56.659 58.000 0.073 0.000 0.954 807 F CB 0.982 40.017 39.000 0.059 0.000 1.337 807 F HN 0.171 nan 8.300 nan 0.000 0.474 808 L N 2.381 123.735 121.223 0.218 0.000 2.301 808 L HA 0.893 5.234 4.340 0.002 0.000 0.264 808 L C -0.680 176.228 176.870 0.063 0.000 1.016 808 L CA -0.857 54.039 54.840 0.095 0.000 0.821 808 L CB 2.123 44.262 42.059 0.133 0.000 1.346 808 L HN 0.916 nan 8.230 nan 0.000 0.429 809 L N -1.414 119.803 121.223 -0.009 0.000 2.940 809 L HA 1.018 5.359 4.340 0.002 0.000 0.270 809 L C -0.325 176.464 176.870 -0.135 0.000 1.030 809 L CA -0.495 54.298 54.840 -0.078 0.000 0.928 809 L CB 1.724 43.794 42.059 0.017 0.000 1.506 809 L HN 0.895 nan 8.230 nan 0.000 0.405 810 G N -0.871 107.823 108.800 -0.177 0.000 2.758 810 G HA2 0.483 4.444 3.960 0.002 0.000 0.686 810 G HA3 0.483 4.444 3.960 0.002 0.000 0.686 810 G C 0.300 175.086 174.900 -0.191 0.000 1.389 810 G CA -0.032 44.932 45.100 -0.226 0.000 0.845 810 G HN 3.039 nan 8.290 nan 0.000 0.572 811 G N 0.108 108.801 108.800 -0.179 0.000 2.660 811 G HA2 0.172 4.133 3.960 0.002 0.000 0.215 811 G HA3 0.172 4.133 3.960 0.002 0.000 0.215 811 G C 0.917 175.808 174.900 -0.015 0.000 1.345 811 G CA 1.049 46.100 45.100 -0.081 0.000 0.877 811 G HN 2.660 nan 8.290 nan 0.000 0.549 812 H N 0.191 119.250 119.070 -0.018 0.000 2.423 812 H HA -0.033 4.524 4.556 0.002 0.000 0.297 812 H C 1.616 176.959 175.328 0.025 0.000 1.075 812 H CA 2.217 58.272 56.048 0.011 0.000 1.342 812 H CB -0.076 29.684 29.762 -0.004 0.000 1.395 812 H HN 0.645 nan 8.280 nan 0.000 0.530 813 D N -1.128 118.927 120.400 -0.576 0.000 2.407 813 D HA 0.126 4.767 4.640 0.002 0.000 0.208 813 D C 1.598 177.872 176.300 -0.043 0.000 1.083 813 D CA 0.641 54.452 54.000 -0.314 0.000 0.844 813 D CB -0.062 40.471 40.800 -0.445 0.000 0.967 813 D HN 0.551 nan 8.370 nan 0.000 0.506 814 G N 0.097 108.827 108.800 -0.118 0.000 2.157 814 G HA2 -0.307 3.654 3.960 0.002 0.000 0.248 814 G HA3 -0.307 3.654 3.960 0.002 0.000 0.248 814 G C 0.077 174.770 174.900 -0.346 0.000 0.979 814 G CA 0.309 45.285 45.100 -0.206 0.000 0.650 814 G HN 0.405 nan 8.290 nan 0.000 0.529 815 Y N -0.563 119.689 120.300 -0.079 0.000 2.715 815 Y HA 0.402 4.953 4.550 0.002 0.000 0.255 815 Y C 1.945 177.889 175.900 0.073 0.000 1.139 815 Y CA -0.636 57.488 58.100 0.040 0.000 1.151 815 Y CB 0.573 39.070 38.460 0.061 0.000 1.201 815 Y HN 0.080 nan 8.280 nan 0.000 0.556 816 R N 0.347 120.889 120.500 0.070 0.000 2.246 816 R HA 0.292 4.633 4.340 0.002 0.000 0.199 816 R C -0.120 176.227 176.300 0.078 0.000 0.984 816 R CA 0.531 56.642 56.100 0.019 0.000 1.015 816 R CB 0.397 30.634 30.300 -0.106 0.000 0.930 816 R HN 0.308 nan 8.270 nan 0.000 0.475 817 I N 1.214 121.832 120.570 0.081 0.000 2.465 817 I HA 0.256 4.427 4.170 0.002 0.000 0.291 817 I C -0.974 175.214 176.117 0.119 0.000 1.014 817 I CA -1.159 60.199 61.300 0.096 0.000 1.093 817 I CB 2.272 40.229 38.000 -0.071 0.000 1.267 817 I HN -0.223 nan 8.210 nan 0.000 0.431 818 L N 7.189 128.463 121.223 0.085 0.000 2.305 818 L HA 0.628 4.969 4.340 0.002 0.000 0.284 818 L C -1.057 175.716 176.870 -0.162 0.000 1.013 818 L CA 0.075 54.818 54.840 -0.162 0.000 0.819 818 L CB 1.157 42.846 42.059 -0.616 0.000 1.227 818 L HN 0.665 nan 8.230 nan 0.000 0.417 819 C N 4.335 123.359 119.300 -0.460 0.000 2.379 819 C HA 0.872 5.333 4.460 0.002 0.000 0.323 819 C C 0.501 175.099 174.990 -0.653 0.000 1.262 819 C CA -0.571 58.087 59.018 -0.600 0.000 1.581 819 C CB 0.750 27.855 27.740 -1.058 0.000 2.221 819 C HN 0.937 nan 8.230 nan 0.000 0.497 820 A N 4.649 127.216 122.820 -0.422 0.000 3.216 820 A HA 0.576 4.897 4.320 0.002 0.000 0.321 820 A C -2.727 174.732 177.584 -0.209 0.000 1.042 820 A CA -0.910 50.828 52.037 -0.499 0.000 0.838 820 A CB -0.006 18.467 19.000 -0.879 0.000 1.136 820 A HN 0.671 nan 8.150 nan 0.000 0.483 821 P HA 0.120 nan 4.420 nan 0.000 0.269 821 P C 0.285 177.586 177.300 0.003 0.000 1.209 821 P CA 0.235 63.328 63.100 -0.013 0.000 0.776 821 P CB 0.878 32.613 31.700 0.058 0.000 0.876 822 V N 3.338 123.262 119.914 0.017 0.000 2.529 822 V HA -0.033 4.088 4.120 0.002 0.000 0.292 822 V C 1.571 177.660 176.094 -0.008 0.000 1.028 822 V CA 0.504 62.834 62.300 0.050 0.000 1.074 822 V CB 0.793 32.659 31.823 0.072 0.000 0.958 822 V HN 0.476 nan 8.190 nan 0.000 0.481 823 V N 1.360 121.245 119.914 -0.048 0.000 3.214 823 V HA 0.422 4.543 4.120 0.002 0.000 0.330 823 V C -0.244 175.545 176.094 -0.508 0.000 1.403 823 V CA -0.453 61.681 62.300 -0.277 0.000 1.143 823 V CB -0.624 30.989 31.823 -0.350 0.000 1.098 823 V HN 0.702 nan 8.190 nan 0.000 0.463 824 W N 0.122 121.434 121.300 0.020 0.000 2.736 824 W HA 0.617 5.279 4.660 0.002 0.000 0.335 824 W C 0.217 176.742 176.519 0.010 0.000 1.059 824 W CA -0.607 56.751 57.345 0.023 0.000 1.226 824 W CB 1.463 30.948 29.460 0.041 0.000 1.416 824 W HN -0.010 nan 8.180 nan 0.000 0.505 825 E N 1.440 121.800 120.200 0.267 0.000 2.390 825 E HA 0.048 4.399 4.350 0.002 0.000 0.261 825 E C 0.003 176.696 176.600 0.155 0.000 1.076 825 E CA 0.178 56.671 56.400 0.155 0.000 0.905 825 E CB 0.193 29.965 29.700 0.119 0.000 0.984 825 E HN 0.645 nan 8.360 nan 0.000 0.427 826 N N 1.108 119.868 118.700 0.101 0.000 2.714 826 N HA -0.229 4.512 4.740 0.002 0.000 0.253 826 N C -1.521 174.040 175.510 0.085 0.000 1.024 826 N CA 0.562 53.661 53.050 0.081 0.000 0.726 826 N CB -0.678 37.852 38.487 0.072 0.000 0.908 826 N HN 0.207 nan 8.380 nan 0.000 0.542 827 S N -0.497 115.262 115.700 0.100 0.000 2.571 827 S HA 0.583 5.054 4.470 0.002 0.000 0.284 827 S C 0.487 175.139 174.600 0.086 0.000 1.128 827 S CA -0.083 58.181 58.200 0.105 0.000 0.970 827 S CB 1.466 64.772 63.200 0.177 0.000 1.039 827 S HN 0.298 nan 8.310 nan 0.000 0.485 828 T N 0.588 115.184 114.554 0.069 0.000 3.252 828 T HA 0.420 4.771 4.350 0.002 0.000 0.286 828 T C -0.119 174.614 174.700 0.055 0.000 1.013 828 T CA -0.372 61.760 62.100 0.053 0.000 0.914 828 T CB -0.531 68.357 68.868 0.033 0.000 1.131 828 T HN 0.789 nan 8.240 nan 0.000 0.529 829 E N 0.467 120.718 120.200 0.087 0.000 2.407 829 E HA 0.708 5.059 4.350 0.002 0.000 0.279 829 E C -1.308 175.388 176.600 0.160 0.000 1.012 829 E CA -1.450 55.015 56.400 0.108 0.000 0.800 829 E CB 1.686 31.441 29.700 0.091 0.000 1.276 829 E HN 0.339 nan 8.360 nan 0.000 0.452 830 R N -0.280 120.344 120.500 0.207 0.000 2.716 830 R HA 0.399 4.740 4.340 0.002 0.000 0.271 830 R C -1.418 175.017 176.300 0.224 0.000 1.028 830 R CA -1.060 55.171 56.100 0.219 0.000 0.883 830 R CB 1.058 31.486 30.300 0.213 0.000 1.250 830 R HN 0.591 nan 8.270 nan 0.000 0.465 831 E N 1.486 121.803 120.200 0.194 0.000 2.223 831 E HA 0.269 4.620 4.350 0.002 0.000 0.282 831 E C -1.219 175.449 176.600 0.114 0.000 1.046 831 E CA -0.712 55.760 56.400 0.120 0.000 0.857 831 E CB 0.842 30.596 29.700 0.090 0.000 1.055 831 E HN 0.466 nan 8.360 nan 0.000 0.409 832 L N 6.195 127.427 121.223 0.015 0.000 2.317 832 L HA 0.394 4.735 4.340 0.002 0.000 0.281 832 L C -1.726 175.107 176.870 -0.061 0.000 1.024 832 L CA -0.721 54.100 54.840 -0.031 0.000 0.810 832 L CB 1.191 43.000 42.059 -0.416 0.000 1.240 832 L HN 0.572 nan 8.230 nan 0.000 0.427 833 Y N 5.317 125.547 120.300 -0.116 0.000 2.331 833 Y HA 0.590 5.141 4.550 0.002 0.000 0.334 833 Y C -1.422 174.234 175.900 -0.407 0.000 0.960 833 Y CA -1.041 56.860 58.100 -0.332 0.000 1.130 833 Y CB 1.264 39.477 38.460 -0.411 0.000 1.164 833 Y HN 0.525 nan 8.280 nan 0.000 0.458 834 L N 9.114 129.570 121.223 -1.278 0.000 2.265 834 L HA 0.434 4.775 4.340 0.002 0.000 0.288 834 L C -2.281 173.768 176.870 -1.369 0.000 1.058 834 L CA -2.076 52.004 54.840 -1.268 0.000 0.809 834 L CB 0.932 42.467 42.059 -0.873 0.000 1.179 834 L HN 0.514 nan 8.230 nan 0.000 0.429 835 P HA -0.042 nan 4.420 nan 0.000 0.265 835 P C -0.164 176.998 177.300 -0.230 0.000 1.187 835 P CA 0.047 62.749 63.100 -0.663 0.000 0.766 835 P CB 0.858 31.881 31.700 -1.130 0.000 0.820 836 V N 5.555 125.437 119.914 -0.054 0.000 3.083 836 V HA 0.185 4.306 4.120 0.002 0.000 0.306 836 V C 1.046 177.242 176.094 0.171 0.000 1.077 836 V CA -0.272 62.082 62.300 0.090 0.000 1.073 836 V CB -0.153 31.755 31.823 0.143 0.000 1.081 836 V HN 0.541 nan 8.190 nan 0.000 0.474 837 L N 2.719 123.993 121.223 0.086 0.000 3.865 837 L HA -0.164 4.177 4.340 0.002 0.000 0.408 837 L C 0.119 176.992 176.870 0.006 0.000 1.209 837 L CA 0.958 55.827 54.840 0.049 0.000 0.940 837 L CB -1.916 40.179 42.059 0.059 0.000 1.971 837 L HN 0.946 nan 8.230 nan 0.000 0.899 838 T N -1.631 112.886 114.554 -0.061 0.000 2.739 838 T HA 0.535 4.887 4.350 0.002 0.000 0.303 838 T C -1.543 172.929 174.700 -0.381 0.000 1.389 838 T CA -0.577 61.382 62.100 -0.236 0.000 1.001 838 T CB 2.033 70.701 68.868 -0.334 0.000 1.436 838 T HN 0.156 nan 8.240 nan 0.000 0.500 839 Q N 0.558 120.053 119.800 -0.508 0.000 2.348 839 Q HA 0.507 4.848 4.340 0.002 0.000 0.271 839 Q C -1.478 174.096 176.000 -0.710 0.000 1.067 839 Q CA -0.431 55.090 55.803 -0.470 0.000 0.839 839 Q CB 2.266 30.849 28.738 -0.259 0.000 1.354 839 Q HN 0.662 nan 8.270 nan 0.000 0.447 840 W N 0.836 121.956 121.300 -0.301 0.000 2.819 840 W HA 0.485 5.146 4.660 0.002 0.000 0.337 840 W C -0.981 175.314 176.519 -0.373 0.000 1.077 840 W CA -0.559 56.651 57.345 -0.226 0.000 1.226 840 W CB 1.244 30.541 29.460 -0.273 0.000 1.419 840 W HN 0.446 nan 8.180 nan 0.000 0.502 841 Y N 1.877 122.390 120.300 0.355 0.000 2.331 841 Y HA 0.268 4.819 4.550 0.002 0.000 0.334 841 Y C 0.464 176.547 175.900 0.305 0.000 0.960 841 Y CA -1.493 56.774 58.100 0.278 0.000 1.130 841 Y CB 1.526 40.119 38.460 0.221 0.000 1.164 841 Y HN 0.217 nan 8.280 nan 0.000 0.458 842 K N 3.217 123.821 120.400 0.340 0.000 2.511 842 K HA 0.099 4.420 4.320 0.002 0.000 0.280 842 K C -1.347 174.966 176.600 -0.478 0.000 1.008 842 K CA 0.601 56.896 56.287 0.013 0.000 1.050 842 K CB 0.270 32.802 32.500 0.054 0.000 0.889 842 K HN 0.623 nan 8.250 nan 0.000 0.484 843 F N 1.393 120.967 119.950 -0.627 0.000 2.894 843 F HA 0.682 5.210 4.527 0.002 0.000 0.332 843 F C 0.188 175.809 175.800 -0.299 0.000 1.192 843 F CA 0.573 58.272 58.000 -0.502 0.000 0.980 843 F CB 1.834 40.825 39.000 -0.016 0.000 1.448 843 F HN 0.737 nan 8.300 nan 0.000 0.514 844 G N 0.756 109.181 108.800 -0.624 0.000 2.347 844 G HA2 0.080 4.042 3.960 0.002 0.000 0.341 844 G HA3 0.080 4.042 3.960 0.002 0.000 0.341 844 G C -2.808 171.376 174.900 -1.193 0.000 1.287 844 G CA -0.471 43.993 45.100 -1.059 0.000 0.984 844 G HN 0.374 nan 8.290 nan 0.000 0.526 845 P HA 0.037 nan 4.420 nan 0.000 0.221 845 P C 0.971 177.994 177.300 -0.460 0.000 1.145 845 P CA 1.548 64.159 63.100 -0.815 0.000 0.795 845 P CB 0.130 31.247 31.700 -0.971 0.000 0.775 846 D N -1.816 118.323 120.400 -0.436 0.000 2.249 846 D HA 0.003 4.644 4.640 0.002 0.000 0.205 846 D C 1.456 177.521 176.300 -0.391 0.000 0.962 846 D CA 0.784 54.559 54.000 -0.374 0.000 0.860 846 D CB -0.568 39.970 40.800 -0.435 0.000 0.955 846 D HN 0.213 nan 8.370 nan 0.000 0.505 847 F N 1.087 120.771 119.950 -0.443 0.000 2.604 847 F HA -0.043 4.485 4.527 0.002 0.000 0.298 847 F C 1.932 177.617 175.800 -0.191 0.000 1.131 847 F CA 0.393 58.177 58.000 -0.361 0.000 1.457 847 F CB -0.040 38.626 39.000 -0.557 0.000 1.095 847 F HN -0.152 nan 8.300 nan 0.000 0.574 848 D N -0.192 120.181 120.400 -0.045 0.000 2.218 848 D HA -0.141 4.500 4.640 0.002 0.000 0.204 848 D C 1.740 178.140 176.300 0.167 0.000 0.976 848 D CA 1.695 55.795 54.000 0.168 0.000 0.853 848 D CB 0.007 40.927 40.800 0.201 0.000 0.939 848 D HN 0.220 nan 8.370 nan 0.000 0.481 849 T N -3.093 111.491 114.554 0.050 0.000 3.182 849 T HA 0.227 4.578 4.350 0.002 0.000 0.277 849 T C 0.299 174.999 174.700 -0.001 0.000 1.013 849 T CA -0.698 61.427 62.100 0.041 0.000 0.900 849 T CB 0.035 68.903 68.868 -0.001 0.000 1.098 849 T HN 0.242 nan 8.240 nan 0.000 0.543 850 K N -0.472 119.921 120.400 -0.012 0.000 2.522 850 K HA 0.742 5.063 4.320 0.002 0.000 0.275 850 K C -3.598 173.036 176.600 0.058 0.000 1.006 850 K CA -2.388 53.879 56.287 -0.033 0.000 0.890 850 K CB 0.721 33.124 32.500 -0.163 0.000 1.475 850 K HN -0.247 nan 8.250 nan 0.000 0.441 851 P HA 0.121 nan 4.420 nan 0.000 0.272 851 P C -0.399 177.079 177.300 0.297 0.000 1.223 851 P CA -0.420 62.765 63.100 0.142 0.000 0.784 851 P CB 0.414 32.173 31.700 0.098 0.000 0.923 852 L N 1.144 122.573 121.223 0.343 0.000 2.479 852 L HA 0.075 4.416 4.340 0.002 0.000 0.270 852 L C 1.302 178.424 176.870 0.420 0.000 1.236 852 L CA 0.388 55.506 54.840 0.464 0.000 0.823 852 L CB -0.156 42.077 42.059 0.291 0.000 1.098 852 L HN 0.423 nan 8.230 nan 0.000 0.500 853 E N -0.140 120.346 120.200 0.477 0.000 2.601 853 E HA 0.358 4.709 4.350 0.002 0.000 0.250 853 E C -0.032 176.783 176.600 0.359 0.000 1.099 853 E CA -0.786 55.836 56.400 0.370 0.000 0.968 853 E CB 0.537 30.458 29.700 0.369 0.000 1.290 853 E HN 0.682 nan 8.360 nan 0.000 0.505 854 G N -0.182 108.771 108.800 0.254 0.000 2.554 854 G HA2 0.291 4.252 3.960 0.002 0.000 0.238 854 G HA3 0.291 4.252 3.960 0.002 0.000 0.238 854 G C -0.195 174.767 174.900 0.104 0.000 1.259 854 G CA -0.058 45.164 45.100 0.203 0.000 0.843 854 G HN 0.477 nan 8.290 nan 0.000 0.582 855 A N 1.723 124.527 122.820 -0.027 0.000 2.540 855 A HA 0.458 4.779 4.320 0.002 0.000 0.239 855 A C 0.563 178.009 177.584 -0.229 0.000 1.061 855 A CA 0.325 52.077 52.037 -0.475 0.000 0.758 855 A CB 0.041 18.842 19.000 -0.331 0.000 0.991 855 A HN 0.639 nan 8.150 nan 0.000 0.502 856 M N 2.821 122.270 119.600 -0.252 0.000 2.205 856 M HA 0.207 4.688 4.480 0.002 0.000 0.344 856 M C -0.479 175.771 176.300 -0.083 0.000 1.085 856 M CA -0.622 54.617 55.300 -0.103 0.000 1.001 856 M CB 1.242 33.800 32.600 -0.070 0.000 1.626 856 M HN 0.647 nan 8.290 nan 0.000 0.442 857 N N 2.125 120.788 118.700 -0.062 0.000 2.452 857 N HA 0.167 4.908 4.740 0.002 0.000 0.266 857 N C 0.126 175.622 175.510 -0.024 0.000 1.175 857 N CA 0.136 53.157 53.050 -0.047 0.000 0.945 857 N CB 0.941 39.407 38.487 -0.035 0.000 1.063 857 N HN 0.862 nan 8.380 nan 0.000 0.472 858 G N 0.017 108.827 108.800 0.017 0.000 2.432 858 G HA2 0.381 4.342 3.960 0.002 0.000 0.239 858 G HA3 0.381 4.342 3.960 0.002 0.000 0.239 858 G C 1.013 175.883 174.900 -0.051 0.000 1.291 858 G CA 0.176 45.303 45.100 0.046 0.000 0.863 858 G HN 0.763 nan 8.290 nan 0.000 0.560 859 G N 1.497 110.199 108.800 -0.164 0.000 2.213 859 G HA2 -0.230 3.731 3.960 0.002 0.000 0.226 859 G HA3 -0.230 3.731 3.960 0.002 0.000 0.226 859 G C 0.137 175.064 174.900 0.045 0.000 0.992 859 G CA 0.249 45.347 45.100 -0.003 0.000 0.632 859 G HN 0.786 nan 8.290 nan 0.000 0.511 860 D N 0.474 120.802 120.400 -0.120 0.000 2.308 860 D HA 0.511 5.152 4.640 0.002 0.000 0.251 860 D C 0.604 176.866 176.300 -0.065 0.000 1.127 860 D CA -0.032 53.924 54.000 -0.072 0.000 0.876 860 D CB 0.924 41.660 40.800 -0.107 0.000 1.176 860 D HN 0.464 nan 8.370 nan 0.000 0.446 861 R N 3.240 123.752 120.500 0.019 0.000 2.310 861 R HA 0.465 4.806 4.340 0.002 0.000 0.324 861 R C -0.979 175.196 176.300 -0.209 0.000 0.955 861 R CA -0.545 55.515 56.100 -0.067 0.000 0.830 861 R CB 0.303 30.536 30.300 -0.113 0.000 1.154 861 R HN 0.392 nan 8.270 nan 0.000 0.458 862 I N 5.614 126.060 120.570 -0.206 0.000 2.330 862 I HA 0.251 4.422 4.170 0.002 0.000 0.289 862 I C -0.646 175.410 176.117 -0.102 0.000 1.001 862 I CA -0.872 60.379 61.300 -0.081 0.000 1.193 862 I CB 0.945 38.979 38.000 0.057 0.000 1.345 862 I HN 0.550 nan 8.210 nan 0.000 0.461 863 Y N 5.289 125.653 120.300 0.107 0.000 2.304 863 Y HA 0.180 4.731 4.550 0.002 0.000 0.327 863 Y C 1.174 177.150 175.900 0.127 0.000 1.209 863 Y CA -0.405 57.759 58.100 0.107 0.000 1.299 863 Y CB 0.405 38.909 38.460 0.074 0.000 1.249 863 Y HN 0.592 nan 8.280 nan 0.000 0.519 864 N N 0.153 119.018 118.700 0.275 0.000 2.747 864 N HA -0.308 4.433 4.740 0.002 0.000 0.249 864 N C -0.941 174.681 175.510 0.187 0.000 1.107 864 N CA 0.421 53.588 53.050 0.195 0.000 0.707 864 N CB -1.907 36.672 38.487 0.153 0.000 1.054 864 N HN 0.683 nan 8.380 nan 0.000 0.555 865 Y N 2.095 122.452 120.300 0.096 0.000 2.650 865 Y HA 0.154 4.706 4.550 0.002 0.000 0.331 865 Y C -1.897 174.056 175.900 0.089 0.000 1.165 865 Y CA -1.210 56.941 58.100 0.085 0.000 1.473 865 Y CB 0.579 39.085 38.460 0.077 0.000 1.224 865 Y HN 0.051 nan 8.280 nan 0.000 0.533 866 P HA 0.130 nan 4.420 nan 0.000 0.276 866 P C -1.324 175.821 177.300 -0.258 0.000 1.243 866 P CA 0.085 63.032 63.100 -0.256 0.000 0.768 866 P CB 0.863 32.424 31.700 -0.231 0.000 0.856 867 V N 6.068 125.949 119.914 -0.056 0.000 2.454 867 V HA 0.251 4.372 4.120 0.002 0.000 0.267 867 V C -2.259 173.845 176.094 0.017 0.000 0.993 867 V CA -1.976 60.330 62.300 0.010 0.000 0.836 867 V CB 1.235 33.112 31.823 0.090 0.000 1.055 867 V HN 0.432 nan 8.190 nan 0.000 0.452 868 P HA 0.026 nan 4.420 nan 0.000 0.270 868 P C 0.988 178.303 177.300 0.025 0.000 1.227 868 P CA 0.183 63.291 63.100 0.014 0.000 0.788 868 P CB 0.785 32.490 31.700 0.008 0.000 0.926 869 Q N 1.522 121.336 119.800 0.024 0.000 2.112 869 Q HA -0.219 4.122 4.340 0.002 0.000 0.206 869 Q C 1.655 177.670 176.000 0.025 0.000 0.987 869 Q CA 2.461 58.275 55.803 0.018 0.000 0.858 869 Q CB -0.410 28.340 28.738 0.019 0.000 0.905 869 Q HN 0.572 nan 8.270 nan 0.000 0.420 870 S N -0.962 114.769 115.700 0.051 0.000 2.547 870 S HA -0.019 4.452 4.470 0.002 0.000 0.235 870 S C 0.259 174.972 174.600 0.188 0.000 0.980 870 S CA 0.210 58.472 58.200 0.104 0.000 0.941 870 S CB 0.038 63.278 63.200 0.066 0.000 0.763 870 S HN 0.325 nan 8.310 nan 0.000 0.532 871 E N 0.287 120.561 120.200 0.124 0.000 2.264 871 E HA 0.667 5.018 4.350 0.002 0.000 0.260 871 E C -1.175 175.502 176.600 0.129 0.000 0.961 871 E CA -0.788 55.709 56.400 0.161 0.000 0.834 871 E CB 1.888 31.637 29.700 0.081 0.000 1.230 871 E HN 0.143 nan 8.360 nan 0.000 0.412 872 S N 0.850 116.645 115.700 0.157 0.000 2.562 872 S HA 0.359 4.830 4.470 0.002 0.000 0.274 872 S C -2.871 171.730 174.600 0.001 0.000 1.160 872 S CA -1.404 56.832 58.200 0.061 0.000 0.933 872 S CB 1.216 64.424 63.200 0.012 0.000 1.100 872 S HN 0.135 nan 8.310 nan 0.000 0.468 873 P HA 0.419 nan 4.420 nan 0.000 0.269 873 P C -1.094 175.982 177.300 -0.372 0.000 1.263 873 P CA 0.159 63.171 63.100 -0.146 0.000 0.813 873 P CB -0.109 31.676 31.700 0.143 0.000 0.868 874 I N 4.273 124.388 120.570 -0.759 0.000 2.619 874 I HA 0.465 4.636 4.170 0.002 0.000 0.292 874 I C -0.605 175.056 176.117 -0.760 0.000 1.100 874 I CA -0.741 60.295 61.300 -0.441 0.000 1.043 874 I CB 1.787 39.767 38.000 -0.033 0.000 1.239 874 I HN 0.120 nan 8.210 nan 0.000 0.420 875 F N 4.468 124.476 119.950 0.095 0.000 2.578 875 F HA 0.567 5.096 4.527 0.002 0.000 0.311 875 F C -0.352 175.593 175.800 0.242 0.000 1.094 875 F CA -1.045 57.046 58.000 0.151 0.000 0.923 875 F CB 1.939 40.943 39.000 0.007 0.000 1.230 875 F HN -0.074 nan 8.300 nan 0.000 0.450 876 V N 2.644 122.760 119.914 0.337 0.000 2.398 876 V HA 0.436 4.557 4.120 0.002 0.000 0.286 876 V C 0.175 176.363 176.094 0.158 0.000 1.026 876 V CA -0.911 61.392 62.300 0.005 0.000 0.868 876 V CB 1.464 32.805 31.823 -0.803 0.000 0.982 876 V HN 0.704 nan 8.190 nan 0.000 0.443 877 R N 3.441 123.962 120.500 0.035 0.000 2.590 877 R HA 0.153 4.494 4.340 0.002 0.000 0.274 877 R C 0.662 176.876 176.300 -0.143 0.000 1.061 877 R CA -0.287 55.617 56.100 -0.326 0.000 1.081 877 R CB 0.596 30.595 30.300 -0.503 0.000 0.984 877 R HN 0.928 nan 8.270 nan 0.000 0.448 878 E N 2.316 122.469 120.200 -0.079 0.000 2.458 878 E HA 0.033 4.384 4.350 0.002 0.000 0.264 878 E C 0.501 177.084 176.600 -0.029 0.000 1.097 878 E CA 0.286 56.720 56.400 0.057 0.000 0.973 878 E CB 0.322 30.074 29.700 0.086 0.000 0.963 878 E HN 0.811 nan 8.360 nan 0.000 0.451 879 G N 0.870 109.676 108.800 0.009 0.000 2.162 879 G HA2 -0.282 3.679 3.960 0.002 0.000 0.260 879 G HA3 -0.282 3.679 3.960 0.002 0.000 0.260 879 G C 0.211 175.116 174.900 0.007 0.000 0.976 879 G CA 0.109 45.202 45.100 -0.010 0.000 0.655 879 G HN 1.003 nan 8.290 nan 0.000 0.533 880 A N -0.089 122.746 122.820 0.025 0.000 2.301 880 A HA 0.790 5.111 4.320 0.002 0.000 0.298 880 A C 0.110 177.778 177.584 0.140 0.000 1.185 880 A CA -0.341 51.716 52.037 0.033 0.000 0.830 880 A CB 0.598 19.507 19.000 -0.151 0.000 1.112 880 A HN 0.739 nan 8.150 nan 0.000 0.508 881 I N 3.398 124.038 120.570 0.117 0.000 2.382 881 I HA 0.298 4.469 4.170 0.002 0.000 0.286 881 I C -0.865 175.360 176.117 0.180 0.000 1.002 881 I CA -0.110 61.297 61.300 0.178 0.000 1.135 881 I CB 1.323 39.382 38.000 0.098 0.000 1.288 881 I HN 0.479 nan 8.210 nan 0.000 0.448 882 L N 8.161 129.518 121.223 0.222 0.000 2.322 882 L HA 0.566 4.907 4.340 0.002 0.000 0.281 882 L C -2.372 174.546 176.870 0.080 0.000 1.014 882 L CA -1.990 52.899 54.840 0.082 0.000 0.815 882 L CB 1.783 43.811 42.059 -0.050 0.000 1.247 882 L HN 0.284 nan 8.230 nan 0.000 0.421 883 P HA 0.207 nan 4.420 nan 0.000 0.276 883 P C -0.886 176.355 177.300 -0.099 0.000 1.230 883 P CA -0.160 62.781 63.100 -0.264 0.000 0.776 883 P CB 1.274 32.797 31.700 -0.295 0.000 0.888 884 T N 3.644 118.150 114.554 -0.081 0.000 2.912 884 T HA 0.491 4.842 4.350 0.002 0.000 0.299 884 T C -0.359 174.286 174.700 -0.091 0.000 1.052 884 T CA -0.764 61.347 62.100 0.020 0.000 0.996 884 T CB 1.512 70.476 68.868 0.160 0.000 1.070 884 T HN 0.234 nan 8.240 nan 0.000 0.465 885 R N 1.353 121.729 120.500 -0.208 0.000 2.670 885 R HA 0.660 5.001 4.340 0.002 0.000 0.289 885 R C -1.523 174.600 176.300 -0.295 0.000 0.965 885 R CA -0.752 55.288 56.100 -0.100 0.000 0.899 885 R CB 1.622 31.927 30.300 0.008 0.000 1.173 885 R HN 0.664 nan 8.270 nan 0.000 0.456 886 Y N -0.954 119.493 120.300 0.246 0.000 2.576 886 Y HA 0.335 4.886 4.550 0.002 0.000 0.346 886 Y C 0.689 176.651 175.900 0.104 0.000 1.018 886 Y CA -0.800 57.426 58.100 0.211 0.000 1.050 886 Y CB 1.963 40.530 38.460 0.179 0.000 1.280 886 Y HN 0.557 nan 8.280 nan 0.000 0.474 887 T N -0.739 113.928 114.554 0.189 0.000 2.909 887 T HA 0.234 4.585 4.350 0.002 0.000 0.289 887 T C 0.766 175.474 174.700 0.014 0.000 1.005 887 T CA -0.691 61.368 62.100 -0.068 0.000 1.084 887 T CB 1.168 69.944 68.868 -0.152 0.000 0.975 887 T HN 0.642 nan 8.240 nan 0.000 0.509 888 L N 2.193 123.388 121.223 -0.046 0.000 2.079 888 L HA -0.072 4.269 4.340 0.002 0.000 0.210 888 L C 1.976 178.875 176.870 0.047 0.000 1.081 888 L CA 2.079 56.918 54.840 -0.002 0.000 0.752 888 L CB -0.876 41.173 42.059 -0.017 0.000 0.896 888 L HN 0.935 nan 8.230 nan 0.000 0.433 889 N N -1.053 117.654 118.700 0.012 0.000 2.280 889 N HA 0.139 4.880 4.740 0.002 0.000 0.192 889 N C 1.339 176.862 175.510 0.021 0.000 1.109 889 N CA 0.715 53.772 53.050 0.011 0.000 0.855 889 N CB -0.094 38.387 38.487 -0.009 0.000 0.974 889 N HN 0.324 nan 8.380 nan 0.000 0.482 890 G N -0.395 108.435 108.800 0.051 0.000 2.162 890 G HA2 -0.301 3.660 3.960 0.002 0.000 0.260 890 G HA3 -0.301 3.660 3.960 0.002 0.000 0.260 890 G C -0.390 174.536 174.900 0.044 0.000 0.976 890 G CA 0.280 45.418 45.100 0.063 0.000 0.655 890 G HN 0.507 nan 8.290 nan 0.000 0.533 891 E N 0.458 120.672 120.200 0.024 0.000 2.313 891 E HA 0.274 4.625 4.350 0.002 0.000 0.272 891 E C -0.250 176.372 176.600 0.037 0.000 1.038 891 E CA -0.811 55.601 56.400 0.021 0.000 0.863 891 E CB 0.462 30.167 29.700 0.008 0.000 1.060 891 E HN 0.184 nan 8.360 nan 0.000 0.402 892 N N 3.385 122.111 118.700 0.044 0.000 2.405 892 N HA 0.065 4.806 4.740 0.002 0.000 0.260 892 N C -0.550 175.011 175.510 0.086 0.000 1.152 892 N CA 0.201 53.288 53.050 0.062 0.000 0.948 892 N CB 0.593 39.095 38.487 0.026 0.000 1.111 892 N HN 0.368 nan 8.380 nan 0.000 0.485 893 K N -1.029 119.454 120.400 0.139 0.000 2.400 893 K HA 0.536 4.858 4.320 0.002 0.000 0.246 893 K C -0.162 176.648 176.600 0.351 0.000 0.995 893 K CA -0.962 55.431 56.287 0.178 0.000 0.840 893 K CB 0.908 33.464 32.500 0.092 0.000 1.293 893 K HN 0.324 nan 8.250 nan 0.000 0.445 894 S N 0.675 116.555 115.700 0.300 0.000 2.563 894 S HA 0.029 4.500 4.470 0.002 0.000 0.284 894 S C 1.411 176.291 174.600 0.467 0.000 1.331 894 S CA -0.655 57.757 58.200 0.353 0.000 1.047 894 S CB 0.096 63.386 63.200 0.149 0.000 0.859 894 S HN 0.632 nan 8.310 nan 0.000 0.514 895 L N 1.761 123.179 121.223 0.326 0.000 2.043 895 L HA -0.244 4.097 4.340 0.002 0.000 0.212 895 L C 2.550 179.507 176.870 0.144 0.000 1.075 895 L CA 2.159 57.000 54.840 0.002 0.000 0.752 895 L CB -1.095 40.801 42.059 -0.271 0.000 0.891 895 L HN 0.943 nan 8.230 nan 0.000 0.432 896 N N -0.776 118.020 118.700 0.160 0.000 2.512 896 N HA -0.150 4.591 4.740 0.002 0.000 0.183 896 N C 1.241 176.954 175.510 0.339 0.000 1.073 896 N CA 1.326 54.519 53.050 0.239 0.000 0.911 896 N CB -0.296 38.282 38.487 0.151 0.000 0.964 896 N HN 0.349 nan 8.380 nan 0.000 0.447 897 T N -4.897 109.832 114.554 0.293 0.000 3.105 897 T HA 0.168 4.519 4.350 0.002 0.000 0.253 897 T C -0.124 174.711 174.700 0.224 0.000 1.047 897 T CA -0.577 61.656 62.100 0.221 0.000 0.944 897 T CB -0.542 68.412 68.868 0.143 0.000 1.016 897 T HN 0.022 nan 8.240 nan 0.000 0.544 898 Y N 3.479 123.840 120.300 0.102 0.000 2.480 898 Y HA 0.435 4.986 4.550 0.002 0.000 0.338 898 Y C 1.421 177.366 175.900 0.076 0.000 1.220 898 Y CA -0.154 57.999 58.100 0.087 0.000 1.430 898 Y CB 0.771 39.280 38.460 0.083 0.000 1.311 898 Y HN 0.324 nan 8.280 nan 0.000 0.575 899 T N -2.461 112.194 114.554 0.168 0.000 2.888 899 T HA 0.283 4.634 4.350 0.002 0.000 0.288 899 T C 0.298 175.050 174.700 0.087 0.000 1.063 899 T CA -0.901 61.261 62.100 0.105 0.000 1.010 899 T CB 1.362 70.248 68.868 0.030 0.000 1.214 899 T HN 0.410 nan 8.240 nan 0.000 0.533 900 D N 0.282 120.656 120.400 -0.045 0.000 2.378 900 D HA -0.007 4.634 4.640 0.002 0.000 0.222 900 D C 1.531 177.685 176.300 -0.242 0.000 0.980 900 D CA 0.536 54.335 54.000 -0.336 0.000 0.907 900 D CB 0.104 40.439 40.800 -0.774 0.000 0.899 900 D HN 0.548 nan 8.370 nan 0.000 0.527 901 E N 0.628 120.777 120.200 -0.085 0.000 2.482 901 E HA -0.029 4.322 4.350 0.002 0.000 0.196 901 E C -0.104 176.511 176.600 0.026 0.000 1.047 901 E CA 0.372 56.758 56.400 -0.023 0.000 0.869 901 E CB 0.084 29.768 29.700 -0.027 0.000 0.836 901 E HN 0.343 nan 8.360 nan 0.000 0.520 902 D N 2.493 122.930 120.400 0.061 0.000 2.339 902 D HA 0.177 4.818 4.640 0.002 0.000 0.241 902 D C -2.389 174.023 176.300 0.187 0.000 1.183 902 D CA -1.859 52.177 54.000 0.060 0.000 0.859 902 D CB 1.076 41.875 40.800 -0.000 0.000 1.067 902 D HN -0.135 nan 8.370 nan 0.000 0.484 903 P HA -0.089 nan 4.420 nan 0.000 0.263 903 P C -0.305 177.165 177.300 0.284 0.000 1.168 903 P CA -0.080 63.063 63.100 0.070 0.000 0.759 903 P CB 0.449 31.711 31.700 -0.730 0.000 0.782 904 L N 5.656 127.119 121.223 0.400 0.000 2.296 904 L HA 0.523 4.864 4.340 0.002 0.000 0.286 904 L C -1.156 175.877 176.870 0.272 0.000 1.023 904 L CA -0.310 54.628 54.840 0.162 0.000 0.812 904 L CB 1.513 43.420 42.059 -0.254 0.000 1.223 904 L HN 0.047 nan 8.230 nan 0.000 0.421 905 V N 5.829 125.840 119.914 0.161 0.000 2.531 905 V HA 0.415 4.536 4.120 0.002 0.000 0.301 905 V C -0.698 175.436 176.094 0.066 0.000 1.034 905 V CA -0.327 62.172 62.300 0.332 0.000 0.865 905 V CB 1.524 33.664 31.823 0.528 0.000 0.995 905 V HN 0.538 nan 8.190 nan 0.000 0.424 906 F N 2.795 122.950 119.950 0.342 0.000 2.335 906 F HA 0.368 4.896 4.527 0.002 0.000 0.365 906 F C 0.743 176.632 175.800 0.148 0.000 1.122 906 F CA -0.238 57.917 58.000 0.258 0.000 1.151 906 F CB 0.849 40.060 39.000 0.352 0.000 1.282 906 F HN 0.529 nan 8.300 nan 0.000 0.513 907 E N 3.550 123.878 120.200 0.215 0.000 2.105 907 E HA 0.311 4.662 4.350 0.002 0.000 0.285 907 E C -1.048 175.572 176.600 0.033 0.000 1.055 907 E CA -0.450 55.968 56.400 0.030 0.000 0.843 907 E CB 0.804 30.513 29.700 0.016 0.000 1.067 907 E HN 0.355 nan 8.360 nan 0.000 0.398 908 V N 6.710 126.587 119.914 -0.062 0.000 2.389 908 V HA 0.167 4.288 4.120 0.002 0.000 0.264 908 V C 0.043 176.050 176.094 -0.146 0.000 1.049 908 V CA -0.192 62.096 62.300 -0.021 0.000 0.932 908 V CB -0.414 31.388 31.823 -0.035 0.000 1.011 908 V HN 0.591 nan 8.190 nan 0.000 0.475 909 F N 5.644 125.537 119.950 -0.096 0.000 2.375 909 F HA 0.394 4.922 4.527 0.002 0.000 0.313 909 F C -1.550 174.137 175.800 -0.187 0.000 1.176 909 F CA -2.114 55.786 58.000 -0.168 0.000 1.142 909 F CB 0.210 39.103 39.000 -0.179 0.000 1.275 909 F HN 0.313 nan 8.300 nan 0.000 0.544 910 P HA -0.021 nan 4.420 nan 0.000 0.265 910 P C -0.679 176.618 177.300 -0.004 0.000 1.187 910 P CA 0.240 63.267 63.100 -0.123 0.000 0.766 910 P CB 0.256 31.784 31.700 -0.287 0.000 0.820 911 L N 2.020 123.242 121.223 -0.002 0.000 2.456 911 L HA 0.290 4.631 4.340 0.002 0.000 0.272 911 L C 1.348 178.227 176.870 0.015 0.000 1.189 911 L CA -0.008 54.831 54.840 -0.001 0.000 0.846 911 L CB -0.076 41.972 42.059 -0.017 0.000 1.111 911 L HN 0.434 nan 8.230 nan 0.000 0.475 912 G N 1.594 110.390 108.800 -0.007 0.000 2.347 912 G HA2 0.222 4.183 3.960 0.002 0.000 0.314 912 G HA3 0.222 4.183 3.960 0.002 0.000 0.314 912 G C 0.146 175.028 174.900 -0.030 0.000 1.126 912 G CA -0.382 44.706 45.100 -0.021 0.000 0.929 912 G HN 0.811 nan 8.290 nan 0.000 0.441 913 N N 2.385 121.071 118.700 -0.024 0.000 2.725 913 N HA -0.205 4.537 4.740 0.002 0.000 0.251 913 N C 0.367 175.861 175.510 -0.027 0.000 1.031 913 N CA 1.071 54.106 53.050 -0.026 0.000 0.720 913 N CB -0.661 37.806 38.487 -0.032 0.000 0.930 913 N HN 0.803 nan 8.380 nan 0.000 0.543 914 N N -2.019 116.668 118.700 -0.022 0.000 2.753 914 N HA -0.237 4.504 4.740 0.002 0.000 0.251 914 N C 0.191 175.679 175.510 -0.037 0.000 1.097 914 N CA 1.909 54.944 53.050 -0.025 0.000 0.786 914 N CB -0.663 37.810 38.487 -0.023 0.000 1.137 914 N HN 0.896 nan 8.380 nan 0.000 0.566 915 R N -1.568 118.905 120.500 -0.045 0.000 2.764 915 R HA 0.878 5.219 4.340 0.002 0.000 0.270 915 R C -1.472 174.784 176.300 -0.073 0.000 1.014 915 R CA -0.521 55.541 56.100 -0.064 0.000 0.904 915 R CB 1.465 31.720 30.300 -0.076 0.000 1.236 915 R HN -0.000 nan 8.270 nan 0.000 0.466 916 A N 1.179 123.939 122.820 -0.100 0.000 2.572 916 A HA 0.685 5.006 4.320 0.002 0.000 0.295 916 A C -1.832 175.635 177.584 -0.196 0.000 1.072 916 A CA -0.747 51.222 52.037 -0.113 0.000 0.691 916 A CB 2.101 21.067 19.000 -0.057 0.000 1.291 916 A HN 0.823 nan 8.150 nan 0.000 0.404 917 D N -1.171 119.060 120.400 -0.283 0.000 2.581 917 D HA 0.712 5.353 4.640 0.002 0.000 0.232 917 D C -0.112 176.045 176.300 -0.238 0.000 1.143 917 D CA 0.149 53.904 54.000 -0.408 0.000 0.881 917 D CB 2.236 42.502 40.800 -0.890 0.000 1.500 917 D HN 0.940 nan 8.370 nan 0.000 0.458 918 G N -0.144 108.572 108.800 -0.140 0.000 2.677 918 G HA2 0.593 4.554 3.960 0.002 0.000 0.291 918 G HA3 0.593 4.554 3.960 0.002 0.000 0.291 918 G C -1.732 173.205 174.900 0.061 0.000 1.435 918 G CA -0.787 44.332 45.100 0.033 0.000 0.826 918 G HN 0.464 nan 8.290 nan 0.000 0.491 919 M N 0.407 120.096 119.600 0.148 0.000 2.371 919 M HA 0.645 5.126 4.480 0.002 0.000 0.287 919 M C -2.058 174.364 176.300 0.203 0.000 1.149 919 M CA -0.646 54.754 55.300 0.167 0.000 0.929 919 M CB 2.099 34.808 32.600 0.182 0.000 1.683 919 M HN 0.822 nan 8.290 nan 0.000 0.470 920 C N 4.617 124.052 119.300 0.226 0.000 2.505 920 C HA 0.535 4.996 4.460 0.002 0.000 0.342 920 C C -1.233 173.832 174.990 0.124 0.000 1.121 920 C CA -0.496 58.638 59.018 0.194 0.000 1.306 920 C CB 0.802 28.704 27.740 0.271 0.000 1.897 920 C HN 0.928 nan 8.230 nan 0.000 0.446 921 Y N 5.837 126.096 120.300 -0.069 0.000 2.359 921 Y HA 0.675 5.226 4.550 0.002 0.000 0.330 921 Y C -0.739 175.115 175.900 -0.078 0.000 1.143 921 Y CA 0.067 58.037 58.100 -0.217 0.000 1.318 921 Y CB 0.523 38.725 38.460 -0.429 0.000 1.234 921 Y HN 0.672 nan 8.280 nan 0.000 0.522 922 L N 6.927 127.695 121.223 -0.759 0.000 2.438 922 L HA 0.403 4.744 4.340 0.002 0.000 0.270 922 L C -1.285 175.086 176.870 -0.832 0.000 0.972 922 L CA -0.769 53.773 54.840 -0.496 0.000 0.831 922 L CB 1.916 43.924 42.059 -0.086 0.000 1.273 922 L HN 0.812 nan 8.230 nan 0.000 0.405 923 D N -0.229 119.722 120.400 -0.748 0.000 2.895 923 D HA 0.184 4.825 4.640 0.002 0.000 0.320 923 D C -0.165 175.540 176.300 -0.992 0.000 1.249 923 D CA -0.504 52.940 54.000 -0.927 0.000 0.997 923 D CB 0.477 41.094 40.800 -0.306 0.000 1.430 923 D HN 0.433 nan 8.370 nan 0.000 0.558 924 D N -1.671 118.399 120.400 -0.550 0.000 2.324 924 D HA 0.242 4.883 4.640 0.002 0.000 0.235 924 D C 1.499 177.794 176.300 -0.008 0.000 1.095 924 D CA 0.446 54.335 54.000 -0.185 0.000 0.871 924 D CB -0.335 40.501 40.800 0.060 0.000 0.906 924 D HN 0.884 nan 8.370 nan 0.000 0.522 925 G N -0.737 108.062 108.800 -0.001 0.000 2.179 925 G HA2 -0.139 3.822 3.960 0.002 0.000 0.260 925 G HA3 -0.139 3.822 3.960 0.002 0.000 0.260 925 G C 1.117 176.063 174.900 0.076 0.000 0.977 925 G CA 0.256 45.371 45.100 0.025 0.000 0.641 925 G HN 1.443 nan 8.290 nan 0.000 0.533 926 G N -2.423 106.457 108.800 0.133 0.000 2.163 926 G HA2 -0.068 3.893 3.960 0.002 0.000 0.213 926 G HA3 -0.068 3.893 3.960 0.002 0.000 0.213 926 G C 1.212 176.298 174.900 0.310 0.000 0.991 926 G CA 0.961 46.146 45.100 0.142 0.000 0.653 926 G HN 1.387 nan 8.290 nan 0.000 0.518 927 V N 1.062 121.143 119.914 0.279 0.000 2.287 927 V HA 0.012 4.133 4.120 0.002 0.000 0.248 927 V C 2.033 178.144 176.094 0.028 0.000 1.053 927 V CA 2.792 65.122 62.300 0.051 0.000 1.027 927 V CB -0.668 31.120 31.823 -0.059 0.000 0.646 927 V HN 1.120 nan 8.190 nan 0.000 0.447 928 T N -2.891 111.693 114.554 0.049 0.000 2.940 928 T HA 0.392 4.743 4.350 0.002 0.000 0.288 928 T C 0.411 175.138 174.700 0.045 0.000 1.045 928 T CA 0.188 62.309 62.100 0.035 0.000 1.018 928 T CB 1.718 70.605 68.868 0.031 0.000 1.151 928 T HN 0.288 nan 8.240 nan 0.000 0.529 929 T N -1.489 113.083 114.554 0.030 0.000 3.264 929 T HA 0.278 4.629 4.350 0.002 0.000 0.257 929 T C 0.673 175.395 174.700 0.038 0.000 0.976 929 T CA -0.485 61.631 62.100 0.026 0.000 0.908 929 T CB -1.202 67.670 68.868 0.007 0.000 1.082 929 T HN 0.662 nan 8.240 nan 0.000 0.567 930 N N 0.854 119.586 118.700 0.054 0.000 2.416 930 N HA 0.184 4.925 4.740 0.002 0.000 0.177 930 N C 2.202 177.779 175.510 0.112 0.000 1.036 930 N CA 0.611 53.701 53.050 0.068 0.000 0.901 930 N CB -0.071 38.454 38.487 0.062 0.000 0.976 930 N HN 0.535 nan 8.380 nan 0.000 0.444 931 A N 2.186 125.089 122.820 0.138 0.000 1.858 931 A HA -0.207 4.114 4.320 0.002 0.000 0.216 931 A C 2.114 179.838 177.584 0.233 0.000 1.190 931 A CA 1.550 53.744 52.037 0.263 0.000 0.617 931 A CB -0.390 18.735 19.000 0.207 0.000 0.827 931 A HN 0.425 nan 8.150 nan 0.000 0.443 932 E N -0.458 119.793 120.200 0.085 0.000 2.158 932 E HA -0.146 4.206 4.350 0.002 0.000 0.191 932 E C 0.677 177.301 176.600 0.039 0.000 0.982 932 E CA 1.304 57.718 56.400 0.023 0.000 0.823 932 E CB -0.427 29.251 29.700 -0.036 0.000 0.766 932 E HN 0.519 nan 8.360 nan 0.000 0.468 933 D N 1.241 121.667 120.400 0.045 0.000 2.201 933 D HA -0.004 4.637 4.640 0.002 0.000 0.209 933 D C 0.724 177.051 176.300 0.044 0.000 0.961 933 D CA 0.967 54.984 54.000 0.029 0.000 0.861 933 D CB -0.107 40.704 40.800 0.018 0.000 0.997 933 D HN 0.297 nan 8.370 nan 0.000 0.486 934 N N -1.210 117.530 118.700 0.066 0.000 2.194 934 N HA 0.309 5.050 4.740 0.002 0.000 0.231 934 N C 0.578 176.127 175.510 0.064 0.000 1.247 934 N CA 0.289 53.371 53.050 0.053 0.000 0.884 934 N CB 1.966 40.475 38.487 0.036 0.000 1.146 934 N HN 0.071 nan 8.380 nan 0.000 0.516 935 G N 1.476 110.360 108.800 0.139 0.000 2.147 935 G HA2 -0.277 3.684 3.960 0.002 0.000 0.244 935 G HA3 -0.277 3.684 3.960 0.002 0.000 0.244 935 G C -0.127 174.746 174.900 -0.044 0.000 1.005 935 G CA -0.130 45.043 45.100 0.121 0.000 0.713 935 G HN 0.098 nan 8.290 nan 0.000 0.515 936 K N 0.423 120.887 120.400 0.108 0.000 2.480 936 K HA 0.439 4.760 4.320 0.002 0.000 0.241 936 K C 0.179 176.859 176.600 0.134 0.000 1.261 936 K CA 0.159 56.480 56.287 0.056 0.000 1.193 936 K CB -0.953 31.600 32.500 0.088 0.000 1.598 936 K HN 0.684 nan 8.250 nan 0.000 0.278 937 F N -2.846 117.057 119.950 -0.078 0.000 2.664 937 F HA 0.649 5.177 4.527 0.002 0.000 0.317 937 F C -0.413 175.230 175.800 -0.261 0.000 1.108 937 F CA -1.201 56.653 58.000 -0.244 0.000 0.957 937 F CB 1.140 39.957 39.000 -0.305 0.000 1.365 937 F HN -0.193 nan 8.300 nan 0.000 0.475 938 S N 0.343 115.900 115.700 -0.239 0.000 2.568 938 S HA 0.777 5.248 4.470 0.002 0.000 0.293 938 S C -1.381 173.142 174.600 -0.128 0.000 1.089 938 S CA -0.746 57.311 58.200 -0.239 0.000 0.945 938 S CB 2.105 65.088 63.200 -0.362 0.000 1.077 938 S HN 0.584 nan 8.310 nan 0.000 0.485 939 V N 2.821 122.733 119.914 -0.004 0.000 2.340 939 V HA 0.315 4.436 4.120 0.002 0.000 0.277 939 V C -0.437 175.721 176.094 0.106 0.000 1.017 939 V CA -0.659 61.660 62.300 0.033 0.000 0.820 939 V CB 1.193 33.070 31.823 0.090 0.000 1.028 939 V HN 0.687 nan 8.190 nan 0.000 0.436 940 V N 5.078 125.066 119.914 0.123 0.000 2.555 940 V HA 0.353 4.474 4.120 0.002 0.000 0.286 940 V C 0.380 176.526 176.094 0.087 0.000 1.044 940 V CA -0.227 62.154 62.300 0.136 0.000 1.026 940 V CB 1.237 33.171 31.823 0.186 0.000 0.981 940 V HN 0.699 nan 8.190 nan 0.000 0.480 941 K N 3.051 123.459 120.400 0.013 0.000 2.316 941 K HA 0.781 5.102 4.320 0.002 0.000 0.251 941 K C -1.365 175.082 176.600 -0.255 0.000 0.934 941 K CA -0.633 55.618 56.287 -0.059 0.000 0.802 941 K CB 2.593 35.083 32.500 -0.016 0.000 1.171 941 K HN 0.459 nan 8.250 nan 0.000 0.426 942 V N 0.680 120.378 119.914 -0.359 0.000 2.841 942 V HA 0.831 4.952 4.120 0.002 0.000 0.310 942 V C -1.842 174.008 176.094 -0.408 0.000 1.090 942 V CA -0.421 61.492 62.300 -0.646 0.000 0.930 942 V CB 1.896 32.981 31.823 -1.230 0.000 1.014 942 V HN 0.898 nan 8.190 nan 0.000 0.425 943 A N 4.883 127.479 122.820 -0.374 0.000 2.398 943 A HA 0.999 5.321 4.320 0.002 0.000 0.301 943 A C -0.431 177.031 177.584 -0.204 0.000 1.041 943 A CA -0.105 51.782 52.037 -0.249 0.000 0.711 943 A CB 1.742 20.628 19.000 -0.190 0.000 1.240 943 A HN 2.132 nan 8.150 nan 0.000 0.420 944 A N 2.027 124.752 122.820 -0.158 0.000 2.337 944 A HA 0.799 5.120 4.320 0.002 0.000 0.329 944 A C -0.435 177.097 177.584 -0.087 0.000 1.146 944 A CA -0.442 51.530 52.037 -0.108 0.000 0.800 944 A CB 0.779 19.726 19.000 -0.087 0.000 1.220 944 A HN 0.765 nan 8.150 nan 0.000 0.472 945 E N 1.050 121.211 120.200 -0.065 0.000 2.263 945 E HA 0.341 4.692 4.350 0.002 0.000 0.268 945 E C -1.433 175.143 176.600 -0.040 0.000 0.884 945 E CA -0.640 55.729 56.400 -0.053 0.000 0.766 945 E CB 2.188 31.858 29.700 -0.050 0.000 1.196 945 E HN 0.625 nan 8.360 nan 0.000 0.416 946 Q N 2.188 121.967 119.800 -0.035 0.000 2.290 946 Q HA 0.282 4.623 4.340 0.002 0.000 0.259 946 Q C -1.622 174.363 176.000 -0.024 0.000 0.941 946 Q CA -0.337 55.450 55.803 -0.028 0.000 0.912 946 Q CB 1.131 29.853 28.738 -0.026 0.000 1.244 946 Q HN 0.354 nan 8.270 nan 0.000 0.441 947 D N 3.525 123.912 120.400 -0.021 0.000 2.358 947 D HA 0.482 5.123 4.640 0.002 0.000 0.253 947 D C 0.495 176.786 176.300 -0.016 0.000 1.288 947 D CA 0.671 54.660 54.000 -0.018 0.000 0.950 947 D CB 0.360 41.149 40.800 -0.018 0.000 1.197 947 D HN 0.696 nan 8.370 nan 0.000 0.550 948 G N 3.313 112.105 108.800 -0.014 0.000 2.634 948 G HA2 -0.294 3.667 3.960 0.002 0.000 0.318 948 G HA3 -0.294 3.667 3.960 0.002 0.000 0.318 948 G C 0.996 175.888 174.900 -0.013 0.000 1.207 948 G CA 0.327 45.420 45.100 -0.012 0.000 0.987 948 G HN 1.027 nan 8.290 nan 0.000 0.547 949 G N -0.205 108.586 108.800 -0.014 0.000 3.284 949 G HA2 0.464 4.425 3.960 0.002 0.000 0.236 949 G HA3 0.464 4.425 3.960 0.002 0.000 0.236 949 G C 0.362 175.251 174.900 -0.019 0.000 1.158 949 G CA 1.372 46.462 45.100 -0.016 0.000 0.774 949 G HN 0.905 nan 8.290 nan 0.000 0.545 950 T N 0.445 114.987 114.554 -0.019 0.000 2.786 950 T HA 0.418 4.769 4.350 0.002 0.000 0.283 950 T C -0.902 173.786 174.700 -0.021 0.000 0.992 950 T CA -0.415 61.673 62.100 -0.019 0.000 0.954 950 T CB 2.389 71.248 68.868 -0.015 0.000 0.934 950 T HN 0.243 nan 8.240 nan 0.000 0.440 951 E N 2.570 122.756 120.200 -0.023 0.000 2.133 951 E HA 0.396 4.747 4.350 0.002 0.000 0.274 951 E C -0.917 175.673 176.600 -0.017 0.000 0.930 951 E CA -0.591 55.794 56.400 -0.025 0.000 0.770 951 E CB 0.742 30.422 29.700 -0.032 0.000 1.104 951 E HN 0.440 nan 8.360 nan 0.000 0.403 952 T N 5.778 120.321 114.554 -0.018 0.000 2.756 952 T HA 0.409 4.760 4.350 0.002 0.000 0.290 952 T C 0.002 174.688 174.700 -0.024 0.000 0.985 952 T CA -0.430 61.665 62.100 -0.009 0.000 0.955 952 T CB 0.261 69.124 68.868 -0.008 0.000 0.930 952 T HN 0.400 nan 8.240 nan 0.000 0.451 953 I N 3.583 124.151 120.570 -0.005 0.000 2.354 953 I HA 0.281 4.452 4.170 0.002 0.000 0.286 953 I C 0.154 176.262 176.117 -0.014 0.000 1.007 953 I CA -0.571 60.709 61.300 -0.033 0.000 1.167 953 I CB 1.198 39.207 38.000 0.014 0.000 1.320 953 I HN 0.493 nan 8.210 nan 0.000 0.458 954 T N 6.098 120.582 114.554 -0.117 0.000 2.771 954 T HA 0.496 4.847 4.350 0.002 0.000 0.281 954 T C -0.454 174.112 174.700 -0.223 0.000 0.982 954 T CA -0.318 61.738 62.100 -0.074 0.000 0.978 954 T CB 0.694 69.521 68.868 -0.068 0.000 0.930 954 T HN 0.095 nan 8.240 nan 0.000 0.447 955 F N 2.947 122.833 119.950 -0.106 0.000 2.415 955 F HA 0.528 5.056 4.527 0.002 0.000 0.348 955 F C 1.306 177.030 175.800 -0.127 0.000 1.119 955 F CA -0.446 57.456 58.000 -0.163 0.000 1.069 955 F CB 1.478 40.350 39.000 -0.214 0.000 1.124 955 F HN 0.611 nan 8.300 nan 0.000 0.472 956 T N 0.049 114.603 114.554 0.001 0.000 2.742 956 T HA 0.747 5.098 4.350 0.002 0.000 0.282 956 T C -1.099 173.614 174.700 0.021 0.000 1.025 956 T CA -1.115 60.986 62.100 0.002 0.000 1.020 956 T CB 2.095 70.955 68.868 -0.014 0.000 1.317 956 T HN 0.590 nan 8.240 nan 0.000 0.538 957 N N -1.435 117.286 118.700 0.036 0.000 2.405 957 N HA 0.413 5.154 4.740 0.002 0.000 0.274 957 N C -0.709 174.850 175.510 0.081 0.000 1.170 957 N CA -0.816 52.281 53.050 0.079 0.000 0.848 957 N CB 1.321 39.888 38.487 0.134 0.000 1.629 957 N HN 0.381 nan 8.380 nan 0.000 0.481 958 D N -0.305 120.160 120.400 0.109 0.000 2.234 958 D HA 0.064 4.705 4.640 0.002 0.000 0.205 958 D C 0.347 176.701 176.300 0.090 0.000 0.962 958 D CA 0.954 55.028 54.000 0.124 0.000 0.855 958 D CB -0.266 40.656 40.800 0.203 0.000 0.951 958 D HN 0.748 nan 8.370 nan 0.000 0.500 959 C N -2.323 117.016 119.300 0.065 0.000 3.303 959 C HA 0.597 5.058 4.460 0.002 0.000 0.340 959 C C -1.402 173.613 174.990 0.042 0.000 1.274 959 C CA -1.315 57.701 59.018 -0.003 0.000 1.234 959 C CB 0.328 27.976 27.740 -0.154 0.000 1.532 959 C HN 0.183 nan 8.230 nan 0.000 0.483 960 Y N 1.134 121.366 120.300 -0.114 0.000 2.544 960 Y HA 0.441 4.992 4.550 0.002 0.000 0.347 960 Y C 0.816 176.657 175.900 -0.098 0.000 1.089 960 Y CA -0.064 57.983 58.100 -0.088 0.000 1.230 960 Y CB 0.574 39.001 38.460 -0.055 0.000 1.101 960 Y HN 0.835 nan 8.280 nan 0.000 0.641 961 E N 2.309 122.341 120.200 -0.280 0.000 2.481 961 E HA 0.001 4.352 4.350 0.002 0.000 0.198 961 E C -1.079 175.399 176.600 -0.204 0.000 1.027 961 E CA 0.217 56.490 56.400 -0.210 0.000 0.900 961 E CB 0.625 30.189 29.700 -0.226 0.000 0.993 961 E HN 0.499 nan 8.360 nan 0.000 0.482 962 Y N 1.071 121.075 120.300 -0.492 0.000 2.334 962 Y HA 0.273 4.824 4.550 0.002 0.000 0.336 962 Y C -0.523 175.041 175.900 -0.561 0.000 0.960 962 Y CA -0.926 56.935 58.100 -0.399 0.000 1.164 962 Y CB 0.963 39.249 38.460 -0.291 0.000 1.155 962 Y HN -0.366 nan 8.280 nan 0.000 0.478 963 V N 8.295 127.683 119.914 -0.877 0.000 2.405 963 V HA 0.014 4.135 4.120 0.002 0.000 0.264 963 V C -0.070 175.675 176.094 -0.582 0.000 1.048 963 V CA -0.398 61.614 62.300 -0.479 0.000 0.966 963 V CB -0.354 31.339 31.823 -0.216 0.000 1.015 963 V HN 0.681 nan 8.190 nan 0.000 0.477 964 F N 4.638 124.463 119.950 -0.207 0.000 2.519 964 F HA 0.444 4.972 4.527 0.002 0.000 0.375 964 F C 1.239 177.049 175.800 0.018 0.000 1.084 964 F CA -0.449 57.559 58.000 0.013 0.000 1.147 964 F CB 0.687 39.797 39.000 0.183 0.000 1.088 964 F HN 0.510 nan 8.300 nan 0.000 0.555 965 G N 4.293 112.806 108.800 -0.478 0.000 3.639 965 G HA2 0.476 4.437 3.960 0.002 0.000 0.279 965 G HA3 0.476 4.437 3.960 0.002 0.000 0.279 965 G C 0.167 174.870 174.900 -0.327 0.000 1.312 965 G CA 0.207 45.122 45.100 -0.307 0.000 1.355 965 G HN 1.047 nan 8.290 nan 0.000 0.595 966 G N -0.163 108.408 108.800 -0.381 0.000 2.682 966 G HA2 0.715 4.676 3.960 0.002 0.000 0.290 966 G HA3 0.715 4.676 3.960 0.002 0.000 0.290 966 G C -3.182 171.843 174.900 0.208 0.000 1.425 966 G CA -1.121 43.906 45.100 -0.123 0.000 0.807 966 G HN -0.010 nan 8.290 nan 0.000 0.482 967 P HA 0.443 nan 4.420 nan 0.000 0.272 967 P C -1.050 176.513 177.300 0.439 0.000 1.240 967 P CA -0.172 63.055 63.100 0.210 0.000 0.791 967 P CB 0.800 32.497 31.700 -0.006 0.000 0.978 968 F N -0.899 119.107 119.950 0.093 0.000 2.640 968 F HA 0.742 5.270 4.527 0.002 0.000 0.324 968 F C -1.331 174.478 175.800 0.015 0.000 1.077 968 F CA -1.469 56.648 58.000 0.196 0.000 0.965 968 F CB 0.981 40.089 39.000 0.180 0.000 1.351 968 F HN 0.200 nan 8.300 nan 0.000 0.487 969 Y N 0.120 120.642 120.300 0.370 0.000 2.570 969 Y HA 0.735 5.286 4.550 0.002 0.000 0.345 969 Y C -0.892 175.276 175.900 0.447 0.000 1.014 969 Y CA -1.473 56.816 58.100 0.314 0.000 1.063 969 Y CB 2.417 41.188 38.460 0.518 0.000 1.272 969 Y HN 0.537 nan 8.280 nan 0.000 0.477 970 V N 2.393 122.585 119.914 0.463 0.000 2.540 970 V HA 0.513 4.634 4.120 0.002 0.000 0.302 970 V C -0.707 175.475 176.094 0.147 0.000 1.035 970 V CA -1.016 61.513 62.300 0.381 0.000 0.873 970 V CB 1.785 33.812 31.823 0.339 0.000 0.992 970 V HN 0.696 nan 8.190 nan 0.000 0.428 971 R N 3.731 124.192 120.500 -0.065 0.000 2.358 971 R HA 0.567 4.908 4.340 0.002 0.000 0.309 971 R C -1.610 174.491 176.300 -0.333 0.000 1.026 971 R CA -0.376 55.438 56.100 -0.477 0.000 0.909 971 R CB 1.596 31.293 30.300 -1.005 0.000 1.153 971 R HN 0.564 nan 8.270 nan 0.000 0.515 972 V N 6.169 125.933 119.914 -0.250 0.000 2.356 972 V HA 0.273 4.394 4.120 0.002 0.000 0.258 972 V C 0.665 176.628 176.094 -0.219 0.000 1.065 972 V CA -0.629 61.561 62.300 -0.184 0.000 0.935 972 V CB 0.661 32.419 31.823 -0.109 0.000 1.061 972 V HN 0.567 nan 8.190 nan 0.000 0.484 973 R N 3.531 123.875 120.500 -0.260 0.000 2.522 973 R HA 0.268 4.609 4.340 0.002 0.000 0.284 973 R C 1.364 177.572 176.300 -0.155 0.000 1.032 973 R CA 0.867 56.826 56.100 -0.236 0.000 1.049 973 R CB 0.260 30.359 30.300 -0.335 0.000 0.956 973 R HN 1.127 nan 8.270 nan 0.000 0.422 974 G N 0.748 109.483 108.800 -0.108 0.000 2.143 974 G HA2 -0.276 3.685 3.960 0.002 0.000 0.249 974 G HA3 -0.276 3.685 3.960 0.002 0.000 0.249 974 G C 0.029 174.892 174.900 -0.061 0.000 0.981 974 G CA 0.223 45.283 45.100 -0.066 0.000 0.665 974 G HN 0.859 nan 8.290 nan 0.000 0.528 975 A N -0.632 122.141 122.820 -0.079 0.000 2.325 975 A HA 0.878 5.199 4.320 0.002 0.000 0.333 975 A C 0.404 177.947 177.584 -0.069 0.000 1.155 975 A CA -0.234 51.760 52.037 -0.073 0.000 0.814 975 A CB 1.259 20.207 19.000 -0.086 0.000 1.206 975 A HN 0.225 nan 8.150 nan 0.000 0.482 976 Q N 0.250 120.015 119.800 -0.057 0.000 3.087 976 Q HA 0.393 4.734 4.340 0.002 0.000 0.202 976 Q C -0.147 175.826 176.000 -0.044 0.000 1.163 976 Q CA -0.449 55.326 55.803 -0.046 0.000 0.389 976 Q CB -0.181 28.537 28.738 -0.032 0.000 5.541 976 Q HN 0.651 nan 8.270 nan 0.000 0.301 977 S N 3.223 118.914 115.700 -0.016 0.000 2.505 977 S HA 0.313 4.784 4.470 0.002 0.000 0.276 977 S C -2.023 172.544 174.600 -0.056 0.000 1.274 977 S CA -0.742 57.460 58.200 0.002 0.000 1.053 977 S CB 0.376 63.608 63.200 0.054 0.000 0.919 977 S HN 0.224 nan 8.310 nan 0.000 0.490 978 P HA 0.413 nan 4.420 nan 0.000 0.284 978 P C 0.206 177.453 177.300 -0.089 0.000 1.258 978 P CA -0.600 62.396 63.100 -0.174 0.000 0.824 978 P CB 1.320 32.807 31.700 -0.355 0.000 1.038 979 S N 0.260 115.930 115.700 -0.049 0.000 2.371 979 S HA -0.029 4.442 4.470 0.002 0.000 0.224 979 S C 0.901 175.507 174.600 0.009 0.000 1.029 979 S CA 0.794 58.992 58.200 -0.003 0.000 0.978 979 S CB -0.341 62.857 63.200 -0.002 0.000 0.833 979 S HN 0.689 nan 8.310 nan 0.000 0.466 980 N N -0.386 118.298 118.700 -0.027 0.000 2.636 980 N HA 0.303 5.044 4.740 0.002 0.000 0.261 980 N C -2.219 173.269 175.510 -0.038 0.000 1.195 980 N CA -0.335 52.718 53.050 0.005 0.000 0.902 980 N CB 1.183 39.693 38.487 0.038 0.000 1.627 980 N HN 0.019 nan 8.380 nan 0.000 0.491 981 I N 2.381 122.948 120.570 -0.005 0.000 2.439 981 I HA 0.218 4.389 4.170 0.002 0.000 0.285 981 I C -0.850 175.325 176.117 0.095 0.000 1.021 981 I CA -0.635 60.664 61.300 -0.001 0.000 1.091 981 I CB 1.645 39.595 38.000 -0.084 0.000 1.242 981 I HN 0.530 nan 8.210 nan 0.000 0.439 982 H N 5.584 124.660 119.070 0.009 0.000 2.457 982 H HA 0.664 5.222 4.556 0.002 0.000 0.335 982 H C -1.388 173.954 175.328 0.024 0.000 1.115 982 H CA -0.421 55.640 56.048 0.021 0.000 1.219 982 H CB 1.698 31.469 29.762 0.014 0.000 1.471 982 H HN 0.261 nan 8.280 nan 0.000 0.491 983 V N 4.452 124.054 119.914 -0.519 0.000 2.407 983 V HA 0.300 4.421 4.120 0.002 0.000 0.291 983 V C -0.284 175.582 176.094 -0.381 0.000 1.018 983 V CA -0.674 61.448 62.300 -0.297 0.000 0.842 983 V CB 1.260 32.982 31.823 -0.168 0.000 0.996 983 V HN 0.840 nan 8.190 nan 0.000 0.426 984 S N 3.970 119.593 115.700 -0.128 0.000 2.472 984 S HA 0.847 5.318 4.470 0.002 0.000 0.303 984 S C -0.526 174.069 174.600 -0.008 0.000 1.099 984 S CA -0.209 57.978 58.200 -0.022 0.000 1.077 984 S CB 1.557 64.827 63.200 0.117 0.000 1.031 984 S HN 0.979 nan 8.310 nan 0.000 0.487 985 S N 2.474 118.168 115.700 -0.010 0.000 2.552 985 S HA 0.547 5.018 4.470 0.002 0.000 0.272 985 S C 0.889 175.481 174.600 -0.013 0.000 1.150 985 S CA -0.064 58.128 58.200 -0.014 0.000 0.849 985 S CB 0.724 63.907 63.200 -0.029 0.000 1.113 985 S HN 1.044 nan 8.310 nan 0.000 0.458 986 G N 1.321 110.109 108.800 -0.019 0.000 2.498 986 G HA2 0.138 4.099 3.960 0.002 0.000 0.219 986 G HA3 0.138 4.099 3.960 0.002 0.000 0.219 986 G C 1.198 176.084 174.900 -0.022 0.000 1.119 986 G CA 0.898 45.987 45.100 -0.019 0.000 0.766 986 G HN 1.099 nan 8.290 nan 0.000 0.552 987 A N -0.695 122.107 122.820 -0.029 0.000 2.132 987 A HA 0.585 4.906 4.320 0.002 0.000 0.213 987 A C 1.185 178.756 177.584 -0.022 0.000 1.154 987 A CA 1.202 53.222 52.037 -0.028 0.000 0.753 987 A CB 0.033 19.012 19.000 -0.035 0.000 0.826 987 A HN 1.503 nan 8.150 nan 0.000 0.469 988 G N -1.676 107.111 108.800 -0.022 0.000 2.318 988 G HA2 0.379 4.340 3.960 0.002 0.000 0.302 988 G HA3 0.379 4.340 3.960 0.002 0.000 0.302 988 G C -0.888 173.992 174.900 -0.033 0.000 1.633 988 G CA -0.219 44.870 45.100 -0.020 0.000 0.965 988 G HN 0.375 nan 8.290 nan 0.000 0.698 989 S N 0.533 116.219 115.700 -0.024 0.000 2.549 989 S HA 0.856 5.327 4.470 0.002 0.000 0.297 989 S C -0.231 174.322 174.600 -0.078 0.000 1.115 989 S CA -0.635 57.529 58.200 -0.060 0.000 1.059 989 S CB 1.907 65.130 63.200 0.038 0.000 1.046 989 S HN 0.880 nan 8.310 nan 0.000 0.506 990 Q N 1.652 121.328 119.800 -0.206 0.000 2.403 990 Q HA 0.179 4.520 4.340 0.002 0.000 0.267 990 Q C -2.190 173.702 176.000 -0.181 0.000 0.991 990 Q CA -0.594 55.136 55.803 -0.122 0.000 0.906 990 Q CB 1.532 30.222 28.738 -0.080 0.000 1.422 990 Q HN 0.541 nan 8.270 nan 0.000 0.400 991 D N 3.784 124.190 120.400 0.009 0.000 2.304 991 D HA 0.311 4.952 4.640 0.002 0.000 0.250 991 D C 0.336 176.680 176.300 0.073 0.000 1.107 991 D CA 0.198 54.250 54.000 0.087 0.000 0.885 991 D CB 0.909 41.807 40.800 0.164 0.000 1.192 991 D HN 0.497 nan 8.370 nan 0.000 0.436 992 M N 1.457 121.129 119.600 0.120 0.000 2.202 992 M HA 0.217 4.698 4.480 0.002 0.000 0.316 992 M C 0.517 176.967 176.300 0.250 0.000 1.138 992 M CA -0.069 55.344 55.300 0.189 0.000 1.151 992 M CB 0.753 33.533 32.600 0.301 0.000 1.422 992 M HN 0.197 nan 8.290 nan 0.000 0.471 993 K N -0.378 120.097 120.400 0.125 0.000 2.435 993 K HA 0.595 4.916 4.320 0.002 0.000 0.251 993 K C -1.066 175.174 176.600 -0.601 0.000 0.954 993 K CA -1.044 55.207 56.287 -0.059 0.000 0.820 993 K CB 1.934 34.404 32.500 -0.050 0.000 1.292 993 K HN 0.432 nan 8.250 nan 0.000 0.436 994 V N 2.018 121.415 119.914 -0.861 0.000 2.540 994 V HA -0.005 4.116 4.120 0.002 0.000 0.297 994 V C 0.128 175.949 176.094 -0.456 0.000 1.024 994 V CA 0.420 62.091 62.300 -1.047 0.000 1.105 994 V CB 0.939 32.454 31.823 -0.513 0.000 0.938 994 V HN 0.908 nan 8.190 nan 0.000 0.482 995 S N 4.188 119.682 115.700 -0.344 0.000 2.584 995 S HA 0.105 4.576 4.470 0.002 0.000 0.270 995 S C 1.403 175.932 174.600 -0.119 0.000 1.346 995 S CA 0.087 58.192 58.200 -0.159 0.000 1.018 995 S CB 1.102 64.253 63.200 -0.081 0.000 0.899 995 S HN 1.191 nan 8.310 nan 0.000 0.542 996 S N 2.338 117.975 115.700 -0.104 0.000 2.528 996 S HA 0.304 4.775 4.470 0.002 0.000 0.219 996 S C 0.681 175.211 174.600 -0.117 0.000 0.985 996 S CA 0.091 58.237 58.200 -0.089 0.000 0.914 996 S CB -0.285 62.870 63.200 -0.075 0.000 0.776 996 S HN 0.907 nan 8.310 nan 0.000 0.526 997 A N 2.402 125.124 122.820 -0.164 0.000 2.440 997 A HA 0.499 4.820 4.320 0.002 0.000 0.251 997 A C 1.061 178.413 177.584 -0.387 0.000 1.089 997 A CA 0.173 52.043 52.037 -0.278 0.000 0.779 997 A CB 0.116 18.918 19.000 -0.331 0.000 1.022 997 A HN 0.510 nan 8.150 nan 0.000 0.492 998 T N -1.184 113.123 114.554 -0.411 0.000 3.200 998 T HA 0.445 4.796 4.350 0.002 0.000 0.284 998 T C 0.259 174.653 174.700 -0.509 0.000 1.009 998 T CA 0.400 62.309 62.100 -0.320 0.000 0.907 998 T CB -0.795 68.035 68.868 -0.063 0.000 1.120 998 T HN 1.376 nan 8.240 nan 0.000 0.534 999 S N -0.440 114.668 115.700 -0.987 0.000 2.618 999 S HA 0.560 5.031 4.470 0.002 0.000 0.277 999 S C 0.673 174.313 174.600 -1.601 0.000 1.138 999 S CA -1.087 56.493 58.200 -1.033 0.000 0.844 999 S CB 2.339 65.239 63.200 -0.500 0.000 1.127 999 S HN 0.126 nan 8.310 nan 0.000 0.474 1000 R N 0.314 119.978 120.500 -1.393 0.000 2.066 1000 R HA -0.027 4.314 4.340 0.002 0.000 0.232 1000 R C 2.311 177.853 176.300 -1.265 0.000 1.131 1000 R CA 1.669 56.882 56.100 -1.479 0.000 0.955 1000 R CB -1.056 28.539 30.300 -1.175 0.000 0.851 1000 R HN 0.841 nan 8.270 nan 0.000 0.432 1001 A N 0.846 123.195 122.820 -0.785 0.000 1.883 1001 A HA -0.165 4.156 4.320 0.002 0.000 0.217 1001 A C 2.350 179.712 177.584 -0.371 0.000 1.186 1001 A CA 1.916 53.675 52.037 -0.462 0.000 0.624 1001 A CB -0.805 18.028 19.000 -0.279 0.000 0.822 1001 A HN 0.545 nan 8.150 nan 0.000 0.444 1002 A N -0.795 121.761 122.820 -0.440 0.000 1.933 1002 A HA 0.002 4.323 4.320 0.002 0.000 0.218 1002 A C 2.130 179.521 177.584 -0.321 0.000 1.175 1002 A CA 1.698 53.530 52.037 -0.341 0.000 0.628 1002 A CB -0.563 18.218 19.000 -0.366 0.000 0.814 1002 A HN 0.678 nan 8.150 nan 0.000 0.444 1003 L N -1.346 119.574 121.223 -0.505 0.000 2.017 1003 L HA -0.064 4.277 4.340 0.002 0.000 0.208 1003 L C 2.129 179.028 176.870 0.048 0.000 1.073 1003 L CA 1.869 56.531 54.840 -0.296 0.000 0.745 1003 L CB -0.759 41.032 42.059 -0.447 0.000 0.894 1003 L HN 0.327 nan 8.230 nan 0.000 0.432 1004 F N 0.246 120.103 119.950 -0.154 0.000 2.126 1004 F HA -0.189 4.339 4.527 0.002 0.000 0.299 1004 F C 2.537 178.342 175.800 0.010 0.000 1.096 1004 F CA 1.294 59.278 58.000 -0.028 0.000 1.255 1004 F CB -1.206 37.710 39.000 -0.140 0.000 0.997 1004 F HN 0.307 nan 8.300 nan 0.000 0.479 1005 N N -0.618 118.160 118.700 0.130 0.000 2.387 1005 N HA -0.067 4.674 4.740 0.002 0.000 0.176 1005 N C 0.927 176.448 175.510 0.018 0.000 1.022 1005 N CA 1.080 54.165 53.050 0.057 0.000 0.883 1005 N CB 0.090 38.584 38.487 0.010 0.000 1.019 1005 N HN 0.252 nan 8.380 nan 0.000 0.435 1006 D N 0.035 120.423 120.400 -0.019 0.000 2.454 1006 D HA 0.084 4.725 4.640 0.002 0.000 0.219 1006 D C 1.012 177.292 176.300 -0.032 0.000 1.081 1006 D CA 0.079 54.057 54.000 -0.037 0.000 0.867 1006 D CB 0.318 41.074 40.800 -0.073 0.000 1.054 1006 D HN 0.025 nan 8.370 nan 0.000 0.500 1007 G N 1.404 110.191 108.800 -0.021 0.000 2.414 1007 G HA2 0.066 4.027 3.960 0.002 0.000 0.236 1007 G HA3 0.066 4.027 3.960 0.002 0.000 0.236 1007 G C 0.324 175.227 174.900 0.005 0.000 1.293 1007 G CA -0.141 44.953 45.100 -0.010 0.000 0.869 1007 G HN -0.136 nan 8.290 nan 0.000 0.556 1008 E N 1.125 121.315 120.200 -0.016 0.000 2.319 1008 E HA 0.073 4.424 4.350 0.002 0.000 0.268 1008 E C -0.048 176.533 176.600 -0.032 0.000 1.050 1008 E CA -0.697 55.690 56.400 -0.023 0.000 0.878 1008 E CB 0.869 30.550 29.700 -0.032 0.000 1.066 1008 E HN 0.389 nan 8.360 nan 0.000 0.406 1009 N N 0.603 119.276 118.700 -0.046 0.000 2.440 1009 N HA 0.094 4.835 4.740 0.002 0.000 0.265 1009 N C 0.943 176.415 175.510 -0.063 0.000 1.239 1009 N CA 0.989 53.993 53.050 -0.078 0.000 0.909 1009 N CB 0.727 39.170 38.487 -0.075 0.000 1.066 1009 N HN 0.801 nan 8.380 nan 0.000 0.474 1010 G N 1.374 110.134 108.800 -0.068 0.000 2.184 1010 G HA2 -0.215 3.746 3.960 0.002 0.000 0.206 1010 G HA3 -0.215 3.746 3.960 0.002 0.000 0.206 1010 G C -0.424 174.488 174.900 0.021 0.000 0.995 1010 G CA -0.421 44.662 45.100 -0.027 0.000 0.651 1010 G HN 0.539 nan 8.290 nan 0.000 0.511 1011 D N 0.436 120.844 120.400 0.012 0.000 2.264 1011 D HA 0.632 5.273 4.640 0.002 0.000 0.249 1011 D C 0.419 176.813 176.300 0.157 0.000 1.070 1011 D CA 0.030 54.037 54.000 0.012 0.000 0.912 1011 D CB 0.726 41.524 40.800 -0.003 0.000 1.193 1011 D HN 0.419 nan 8.370 nan 0.000 0.427 1012 F N -0.402 119.629 119.950 0.135 0.000 2.561 1012 F HA 0.754 5.282 4.527 0.002 0.000 0.321 1012 F C -1.269 174.710 175.800 0.299 0.000 1.065 1012 F CA -1.427 56.699 58.000 0.210 0.000 0.934 1012 F CB 1.299 40.388 39.000 0.150 0.000 1.215 1012 F HN 0.272 nan 8.300 nan 0.000 0.471 1013 W N 4.179 125.713 121.300 0.390 0.000 2.830 1013 W HA 0.653 5.314 4.660 0.002 0.000 0.335 1013 W C -2.152 174.560 176.519 0.322 0.000 1.043 1013 W CA -1.759 55.722 57.345 0.226 0.000 1.239 1013 W CB 1.628 31.121 29.460 0.055 0.000 1.378 1013 W HN 0.538 nan 8.180 nan 0.000 0.456 1014 V N 6.553 126.437 119.914 -0.050 0.000 2.387 1014 V HA 0.027 4.148 4.120 0.002 0.000 0.260 1014 V C -0.027 175.625 176.094 -0.736 0.000 1.054 1014 V CA 0.131 62.292 62.300 -0.232 0.000 0.967 1014 V CB 0.544 32.369 31.823 0.004 0.000 1.036 1014 V HN 0.453 nan 8.190 nan 0.000 0.481 1015 D N 4.339 124.218 120.400 -0.869 0.000 2.500 1015 D HA 0.196 4.837 4.640 0.002 0.000 0.219 1015 D C 1.128 177.213 176.300 -0.357 0.000 1.137 1015 D CA -0.138 53.249 54.000 -1.021 0.000 0.946 1015 D CB 1.098 41.241 40.800 -1.095 0.000 1.022 1015 D HN 0.570 nan 8.370 nan 0.000 0.518 1016 Q N 1.727 121.400 119.800 -0.212 0.000 2.124 1016 Q HA -0.185 4.156 4.340 0.002 0.000 0.202 1016 Q C 1.471 177.443 176.000 -0.046 0.000 0.977 1016 Q CA 1.140 56.892 55.803 -0.084 0.000 0.850 1016 Q CB 0.183 28.902 28.738 -0.033 0.000 0.901 1016 Q HN 0.621 nan 8.270 nan 0.000 0.429 1017 E N 0.137 120.319 120.200 -0.030 0.000 2.110 1017 E HA -0.171 4.180 4.350 0.002 0.000 0.193 1017 E C 1.430 178.038 176.600 0.014 0.000 0.988 1017 E CA 1.591 57.995 56.400 0.006 0.000 0.804 1017 E CB 0.187 29.909 29.700 0.036 0.000 0.745 1017 E HN 0.391 nan 8.360 nan 0.000 0.458 1018 T N -2.603 111.961 114.554 0.017 0.000 3.085 1018 T HA 0.084 4.435 4.350 0.002 0.000 0.264 1018 T C 0.140 174.856 174.700 0.026 0.000 1.019 1018 T CA 0.365 62.496 62.100 0.052 0.000 0.910 1018 T CB 0.175 69.117 68.868 0.124 0.000 1.059 1018 T HN 0.141 nan 8.240 nan 0.000 0.542 1019 D N 0.694 121.086 120.400 -0.013 0.000 2.689 1019 D HA -0.150 4.491 4.640 0.002 0.000 0.237 1019 D C -0.725 175.538 176.300 -0.061 0.000 1.148 1019 D CA 0.588 54.569 54.000 -0.031 0.000 0.656 1019 D CB -1.372 39.427 40.800 -0.001 0.000 1.050 1019 D HN 0.535 nan 8.370 nan 0.000 0.426 1020 S N -0.481 115.169 115.700 -0.084 0.000 2.599 1020 S HA 0.763 5.234 4.470 0.002 0.000 0.294 1020 S C -0.883 173.644 174.600 -0.121 0.000 1.094 1020 S CA -0.894 57.226 58.200 -0.134 0.000 0.931 1020 S CB 2.107 65.209 63.200 -0.164 0.000 1.093 1020 S HN 0.335 nan 8.310 nan 0.000 0.488 1021 L N 1.963 123.101 121.223 -0.141 0.000 2.325 1021 L HA 0.697 5.038 4.340 0.002 0.000 0.281 1021 L C -2.115 174.770 176.870 0.026 0.000 1.004 1021 L CA -0.159 54.668 54.840 -0.022 0.000 0.823 1021 L CB 0.563 42.591 42.059 -0.052 0.000 1.236 1021 L HN 0.694 nan 8.230 nan 0.000 0.415 1022 W N 5.899 127.263 121.300 0.107 0.000 2.520 1022 W HA 0.642 5.303 4.660 0.002 0.000 0.323 1022 W C -1.173 175.545 176.519 0.333 0.000 1.062 1022 W CA -0.464 57.045 57.345 0.272 0.000 1.215 1022 W CB 1.496 31.206 29.460 0.417 0.000 1.340 1022 W HN 0.212 nan 8.180 nan 0.000 0.516 1023 L N 3.405 124.926 121.223 0.498 0.000 2.349 1023 L HA 0.361 4.702 4.340 0.002 0.000 0.278 1023 L C -0.049 176.942 176.870 0.202 0.000 0.996 1023 L CA -1.247 53.788 54.840 0.326 0.000 0.825 1023 L CB 1.480 43.642 42.059 0.172 0.000 1.243 1023 L HN 0.286 nan 8.230 nan 0.000 0.412 1024 K N 4.069 124.516 120.400 0.078 0.000 2.248 1024 K HA 0.745 5.066 4.320 0.002 0.000 0.281 1024 K C -1.357 175.016 176.600 -0.378 0.000 1.054 1024 K CA -0.309 55.781 56.287 -0.327 0.000 0.903 1024 K CB 0.574 32.987 32.500 -0.145 0.000 1.077 1024 K HN 0.543 nan 8.250 nan 0.000 0.474 1025 L N 6.512 127.340 121.223 -0.659 0.000 2.401 1025 L HA 0.544 4.885 4.340 0.002 0.000 0.266 1025 L C -2.224 174.341 176.870 -0.508 0.000 0.991 1025 L CA -2.464 51.991 54.840 -0.641 0.000 0.818 1025 L CB 2.168 43.615 42.059 -1.021 0.000 1.321 1025 L HN 0.641 nan 8.230 nan 0.000 0.413 1026 P HA 0.064 nan 4.420 nan 0.000 0.272 1026 P C -0.135 177.241 177.300 0.127 0.000 1.223 1026 P CA -0.289 62.782 63.100 -0.048 0.000 0.784 1026 P CB 0.620 32.299 31.700 -0.034 0.000 0.923 1027 N N 1.984 120.803 118.700 0.198 0.000 2.223 1027 N HA -0.130 4.611 4.740 0.002 0.000 0.185 1027 N C 1.337 176.951 175.510 0.173 0.000 1.016 1027 N CA 1.919 55.155 53.050 0.309 0.000 0.863 1027 N CB -1.705 36.937 38.487 0.259 0.000 0.983 1027 N HN 0.290 nan 8.380 nan 0.000 0.429 1028 V N -0.296 119.669 119.914 0.085 0.000 2.720 1028 V HA -0.090 4.031 4.120 0.002 0.000 0.256 1028 V C 2.213 178.291 176.094 -0.027 0.000 1.082 1028 V CA 1.586 63.893 62.300 0.012 0.000 1.101 1028 V CB -1.207 30.614 31.823 -0.002 0.000 0.693 1028 V HN 0.303 nan 8.190 nan 0.000 0.479 1029 V N -3.117 116.816 119.914 0.032 0.000 3.596 1029 V HA 0.286 4.407 4.120 0.002 0.000 0.289 1029 V C 1.995 178.053 176.094 -0.061 0.000 1.336 1029 V CA 0.712 63.011 62.300 -0.002 0.000 1.137 1029 V CB 0.050 31.883 31.823 0.016 0.000 0.966 1029 V HN 0.402 nan 8.190 nan 0.000 0.428 1030 L N 1.767 122.894 121.223 -0.161 0.000 2.046 1030 L HA 0.122 4.463 4.340 0.002 0.000 0.208 1030 L C -0.135 176.436 176.870 -0.497 0.000 1.077 1030 L CA 2.371 56.830 54.840 -0.636 0.000 0.747 1030 L CB -1.483 40.202 42.059 -0.623 0.000 0.896 1030 L HN 0.302 nan 8.230 nan 0.000 0.432 1031 P HA -0.069 nan 4.420 nan 0.000 0.221 1031 P C -0.001 177.184 177.300 -0.191 0.000 1.150 1031 P CA 1.590 64.394 63.100 -0.492 0.000 0.800 1031 P CB -0.034 31.260 31.700 -0.678 0.000 0.787 1032 D N -3.421 116.902 120.400 -0.128 0.000 2.567 1032 D HA 0.144 4.785 4.640 0.002 0.000 0.268 1032 D C 0.100 176.414 176.300 0.022 0.000 1.448 1032 D CA -0.458 53.520 54.000 -0.036 0.000 0.811 1032 D CB -0.884 39.884 40.800 -0.053 0.000 1.192 1032 D HN -0.068 nan 8.370 nan 0.000 0.488 1033 A N 0.661 123.507 122.820 0.042 0.000 2.548 1033 A HA 0.448 4.769 4.320 0.002 0.000 0.247 1033 A C 0.135 177.810 177.584 0.151 0.000 1.067 1033 A CA -0.012 52.073 52.037 0.080 0.000 0.757 1033 A CB 0.357 19.394 19.000 0.062 0.000 0.996 1033 A HN 0.157 nan 8.150 nan 0.000 0.504 1034 V N 5.137 125.106 119.914 0.092 0.000 2.347 1034 V HA 0.331 4.452 4.120 0.002 0.000 0.280 1034 V C -0.091 176.057 176.094 0.090 0.000 1.021 1034 V CA -0.058 62.297 62.300 0.092 0.000 0.847 1034 V CB 0.968 32.831 31.823 0.066 0.000 0.990 1034 V HN 0.697 nan 8.190 nan 0.000 0.444 1035 I N 4.199 124.831 120.570 0.103 0.000 2.362 1035 I HA 0.411 4.582 4.170 0.002 0.000 0.289 1035 I C 0.090 176.249 176.117 0.069 0.000 0.994 1035 I CA -0.058 61.293 61.300 0.086 0.000 1.158 1035 I CB 1.892 39.961 38.000 0.115 0.000 1.315 1035 I HN 0.478 nan 8.210 nan 0.000 0.451 1036 T N 7.254 121.856 114.554 0.080 0.000 2.772 1036 T HA 0.585 4.936 4.350 0.002 0.000 0.288 1036 T C -0.140 174.582 174.700 0.036 0.000 0.994 1036 T CA -0.283 61.853 62.100 0.060 0.000 0.951 1036 T CB 0.783 69.696 68.868 0.075 0.000 0.933 1036 T HN 0.256 nan 8.240 nan 0.000 0.447 1037 I N 2.750 123.320 120.570 -0.000 0.000 2.339 1037 I HA 0.480 4.651 4.170 0.002 0.000 0.290 1037 I C 0.576 176.671 176.117 -0.036 0.000 0.994 1037 I CA -0.377 60.902 61.300 -0.035 0.000 1.191 1037 I CB 1.837 39.803 38.000 -0.058 0.000 1.343 1037 I HN 0.505 nan 8.210 nan 0.000 0.458 1038 T N 0.000 114.529 114.554 -0.042 0.000 3.816 1038 T HA 0.000 4.351 4.350 0.002 0.000 0.228 1038 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 1038 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658