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_A 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 0.000 174.657 174.700 -0.072 0.000 1.109 14 T CA 0.000 62.059 62.100 -0.068 0.000 1.349 14 T CB 0.000 68.819 68.868 -0.082 0.000 0.612 15 D N 3.177 123.553 120.400 -0.040 0.000 2.488 15 D HA 0.275 4.931 4.640 0.026 0.000 0.238 15 D C 0.951 177.251 176.300 -0.001 0.000 1.138 15 D CA 1.027 55.015 54.000 -0.020 0.000 0.873 15 D CB 0.116 40.915 40.800 -0.003 0.000 1.183 15 D HN 0.415 nan 8.370 nan 0.000 0.458 16 N N 1.690 120.408 118.700 0.031 0.000 2.688 16 N HA -0.150 4.606 4.740 0.026 0.000 0.258 16 N C -1.721 173.796 175.510 0.012 0.000 1.016 16 N CA 0.163 53.271 53.050 0.096 0.000 0.747 16 N CB -0.151 38.452 38.487 0.192 0.000 0.895 16 N HN 0.273 nan 8.380 nan 0.000 0.543 17 P HA -0.099 nan 4.420 nan 0.000 0.220 17 P C 0.445 177.707 177.300 -0.063 0.000 1.148 17 P CA 1.055 64.078 63.100 -0.128 0.000 0.803 17 P CB 0.213 31.701 31.700 -0.352 0.000 0.782 18 D N -0.860 119.526 120.400 -0.023 0.000 2.340 18 D HA 0.090 4.746 4.640 0.026 0.000 0.220 18 D C 1.266 177.545 176.300 -0.034 0.000 1.039 18 D CA 0.743 54.734 54.000 -0.015 0.000 0.866 18 D CB -0.212 40.588 40.800 0.001 0.000 0.913 18 D HN 0.167 nan 8.370 nan 0.000 0.523 19 G N 1.779 110.562 108.800 -0.028 0.000 2.246 19 G HA2 -0.253 3.723 3.960 0.026 0.000 0.273 19 G HA3 -0.253 3.723 3.960 0.026 0.000 0.273 19 G C 0.367 175.208 174.900 -0.099 0.000 1.055 19 G CA -0.330 44.747 45.100 -0.039 0.000 0.851 19 G HN 0.219 nan 8.290 nan 0.000 0.500 20 I N 0.286 120.745 120.570 -0.185 0.000 2.692 20 I HA 0.176 4.361 4.170 0.026 0.000 0.284 20 I C 0.494 176.331 176.117 -0.466 0.000 1.159 20 I CA -0.410 60.647 61.300 -0.405 0.000 1.423 20 I CB 0.877 38.437 38.000 -0.733 0.000 1.380 20 I HN 0.172 nan 8.210 nan 0.000 0.580 21 D N 5.778 125.974 120.400 -0.341 0.000 2.359 21 D HA 0.224 4.880 4.640 0.026 0.000 0.230 21 D C -0.905 175.263 176.300 -0.221 0.000 1.118 21 D CA -0.310 53.571 54.000 -0.198 0.000 0.844 21 D CB 0.189 40.939 40.800 -0.084 0.000 1.059 21 D HN 0.157 nan 8.370 nan 0.000 0.493 22 Y N 3.607 123.945 120.300 0.064 0.000 2.539 22 Y HA 0.186 4.752 4.550 0.026 0.000 0.352 22 Y C 1.569 177.425 175.900 -0.072 0.000 1.004 22 Y CA -0.422 57.696 58.100 0.031 0.000 1.278 22 Y CB 0.968 39.365 38.460 -0.105 0.000 1.136 22 Y HN 0.194 nan 8.280 nan 0.000 0.528 23 K N 1.182 121.609 120.400 0.046 0.000 2.323 23 K HA 0.155 4.490 4.320 0.026 0.000 0.197 23 K C -0.071 176.531 176.600 0.004 0.000 1.043 23 K CA 0.428 56.722 56.287 0.011 0.000 0.997 23 K CB 0.460 32.942 32.500 -0.030 0.000 0.807 23 K HN 0.476 nan 8.250 nan 0.000 0.497 24 T N 0.424 114.954 114.554 -0.039 0.000 2.937 24 T HA 0.354 4.720 4.350 0.026 0.000 0.297 24 T C -0.276 174.426 174.700 0.002 0.000 0.991 24 T CA -0.511 61.602 62.100 0.022 0.000 0.990 24 T CB 1.043 69.919 68.868 0.013 0.000 0.991 24 T HN -0.060 nan 8.240 nan 0.000 0.440 25 Y N 0.232 120.692 120.300 0.267 0.000 2.558 25 Y HA 0.237 4.803 4.550 0.026 0.000 0.273 25 Y C 1.222 177.285 175.900 0.273 0.000 1.100 25 Y CA -0.325 57.937 58.100 0.271 0.000 1.276 25 Y CB 0.423 39.043 38.460 0.267 0.000 1.196 25 Y HN 0.489 nan 8.280 nan 0.000 0.527 26 D N 0.009 120.655 120.400 0.411 0.000 2.357 26 D HA -0.065 4.591 4.640 0.026 0.000 0.242 26 D C -0.389 175.850 176.300 -0.101 0.000 1.153 26 D CA -0.159 54.044 54.000 0.338 0.000 0.918 26 D CB 0.386 41.472 40.800 0.477 0.000 1.181 26 D HN 0.022 nan 8.370 nan 0.000 0.435 27 Y N 1.068 120.803 120.300 -0.942 0.000 2.904 27 Y HA 0.054 4.620 4.550 0.026 0.000 0.336 27 Y C -0.570 174.863 175.900 -0.778 0.000 1.263 27 Y CA 0.224 57.534 58.100 -1.317 0.000 1.547 27 Y CB 0.276 37.360 38.460 -2.293 0.000 1.272 27 Y HN -0.028 nan 8.280 nan 0.000 0.596 28 V N 7.890 127.142 119.914 -1.103 0.000 2.349 28 V HA 0.403 4.539 4.120 0.026 0.000 0.284 28 V C 0.721 176.043 176.094 -1.287 0.000 1.014 28 V CA -0.509 61.261 62.300 -0.885 0.000 0.826 28 V CB 0.840 32.455 31.823 -0.347 0.000 1.009 28 V HN 1.123 nan 8.190 nan 0.000 0.431 29 G N 2.437 110.156 108.800 -1.802 0.000 2.699 29 G HA2 0.281 4.257 3.960 0.026 0.000 0.246 29 G HA3 0.281 4.257 3.960 0.026 0.000 0.246 29 G C 1.370 175.307 174.900 -1.606 0.000 1.219 29 G CA 0.217 43.907 45.100 -2.350 0.000 0.866 29 G HN 1.053 nan 8.290 nan 0.000 0.572 30 V N -2.442 116.754 119.914 -1.197 0.000 2.688 30 V HA -0.160 3.975 4.120 0.026 0.000 0.256 30 V C 2.099 177.928 176.094 -0.442 0.000 1.084 30 V CA 2.035 64.067 62.300 -0.447 0.000 1.103 30 V CB -1.348 30.443 31.823 -0.054 0.000 0.688 30 V HN 0.893 nan 8.190 nan 0.000 0.480 31 W N 1.637 122.611 121.300 -0.543 0.000 2.595 31 W HA 0.427 5.102 4.660 0.025 0.000 0.257 31 W C 1.970 178.331 176.519 -0.263 0.000 1.267 31 W CA 0.478 57.446 57.345 -0.629 0.000 1.300 31 W CB -1.103 27.584 29.460 -1.288 0.000 1.120 31 W HN 0.219 nan 8.180 nan 0.000 0.618 32 G N -0.845 107.731 108.800 -0.374 0.000 3.277 32 G HA2 0.147 4.123 3.960 0.026 0.000 0.243 32 G HA3 0.147 4.123 3.960 0.026 0.000 0.243 32 G C -0.838 173.980 174.900 -0.137 0.000 1.107 32 G CA -0.413 44.587 45.100 -0.166 0.000 0.771 32 G HN 0.125 nan 8.290 nan 0.000 0.544 33 F N 3.287 123.014 119.950 -0.372 0.000 2.347 33 F HA 0.527 5.070 4.527 0.026 0.000 0.366 33 F C 0.196 175.859 175.800 -0.229 0.000 1.107 33 F CA -1.668 56.072 58.000 -0.434 0.000 1.058 33 F CB 1.752 40.129 39.000 -1.039 0.000 1.236 33 F HN -0.014 nan 8.300 nan 0.000 0.456 34 S N 6.294 121.645 115.700 -0.583 0.000 2.317 34 S HA 0.300 4.786 4.470 0.026 0.000 0.144 34 S C -2.273 171.926 174.600 -0.668 0.000 1.660 34 S CA -0.963 56.965 58.200 -0.453 0.000 1.273 34 S CB 0.721 63.816 63.200 -0.176 0.000 1.330 34 S HN 0.441 nan 8.310 nan 0.000 0.395 35 P HA -0.076 nan 4.420 nan 0.000 0.218 35 P C 1.261 177.889 177.300 -1.119 0.000 1.148 35 P CA 0.774 62.837 63.100 -1.727 0.000 0.822 35 P CB -0.036 30.548 31.700 -1.860 0.000 0.784 36 L N -0.905 119.902 121.223 -0.693 0.000 2.551 36 L HA 0.019 4.375 4.340 0.026 0.000 0.228 36 L C 2.214 178.914 176.870 -0.282 0.000 1.153 36 L CA 0.618 55.224 54.840 -0.390 0.000 0.851 36 L CB -0.837 41.102 42.059 -0.200 0.000 0.959 36 L HN -0.059 nan 8.230 nan 0.000 0.451 37 S N -0.045 115.477 115.700 -0.298 0.000 2.489 37 S HA -0.053 4.433 4.470 0.026 0.000 0.228 37 S C 1.010 175.521 174.600 -0.148 0.000 0.995 37 S CA 0.380 58.477 58.200 -0.172 0.000 0.934 37 S CB -0.066 63.064 63.200 -0.117 0.000 0.771 37 S HN 0.545 nan 8.310 nan 0.000 0.522 38 N N -0.052 118.508 118.700 -0.233 0.000 2.885 38 N HA -0.156 4.600 4.740 0.026 0.000 0.215 38 N C 0.405 175.945 175.510 0.050 0.000 0.893 38 N CA 1.882 54.857 53.050 -0.125 0.000 1.147 38 N CB -2.094 36.330 38.487 -0.105 0.000 0.967 38 N HN 0.661 nan 8.380 nan 0.000 0.601 39 T N 0.182 114.762 114.554 0.044 0.000 2.829 39 T HA 0.246 4.612 4.350 0.026 0.000 0.293 39 T C 0.872 175.566 174.700 -0.009 0.000 0.970 39 T CA 0.661 62.754 62.100 -0.012 0.000 1.168 39 T CB 0.788 69.619 68.868 -0.061 0.000 0.911 39 T HN 0.327 nan 8.240 nan 0.000 0.535 40 N N 0.505 119.111 118.700 -0.157 0.000 2.863 40 N HA -0.139 4.616 4.740 0.026 0.000 0.245 40 N C -1.005 174.343 175.510 -0.271 0.000 1.001 40 N CA 1.227 54.112 53.050 -0.274 0.000 0.901 40 N CB -1.742 36.484 38.487 -0.434 0.000 1.124 40 N HN 0.851 nan 8.380 nan 0.000 0.582 41 W N 0.353 121.494 121.300 -0.266 0.000 2.417 41 W HA 0.574 5.250 4.660 0.026 0.000 0.317 41 W C 0.566 176.875 176.519 -0.349 0.000 1.121 41 W CA -0.466 56.729 57.345 -0.250 0.000 1.208 41 W CB 0.385 29.731 29.460 -0.189 0.000 1.253 41 W HN -0.138 nan 8.180 nan 0.000 0.533 42 F N 2.163 122.017 119.950 -0.161 0.000 2.375 42 F HA 0.613 5.155 4.527 0.026 0.000 0.333 42 F C 0.728 176.504 175.800 -0.040 0.000 1.104 42 F CA -0.387 57.458 58.000 -0.259 0.000 1.149 42 F CB 0.860 39.319 39.000 -0.902 0.000 1.190 42 F HN 0.344 nan 8.300 nan 0.000 0.533 43 A N 1.284 124.293 122.820 0.314 0.000 2.566 43 A HA 0.808 5.143 4.320 0.026 0.000 0.292 43 A C -1.269 176.445 177.584 0.216 0.000 1.112 43 A CA -0.743 51.465 52.037 0.285 0.000 0.707 43 A CB 0.785 19.870 19.000 0.142 0.000 1.302 43 A HN 0.951 nan 8.150 nan 0.000 0.409 44 A N -0.029 122.805 122.820 0.024 0.000 2.491 44 A HA 0.488 4.823 4.320 0.026 0.000 0.261 44 A C 1.126 178.633 177.584 -0.130 0.000 1.101 44 A CA 0.482 52.317 52.037 -0.335 0.000 0.772 44 A CB -0.363 18.420 19.000 -0.361 0.000 1.043 44 A HN 1.841 nan 8.150 nan 0.000 0.501 45 G N 1.075 109.791 108.800 -0.139 0.000 2.724 45 G HA2 0.404 4.379 3.960 0.026 0.000 0.205 45 G HA3 0.404 4.379 3.960 0.026 0.000 0.205 45 G C 0.468 175.348 174.900 -0.033 0.000 1.112 45 G CA 0.953 46.027 45.100 -0.042 0.000 0.793 45 G HN 1.644 nan 8.290 nan 0.000 0.526 46 S N -1.320 114.341 115.700 -0.066 0.000 2.643 46 S HA 0.674 5.160 4.470 0.026 0.000 0.266 46 S C -0.884 173.693 174.600 -0.038 0.000 1.130 46 S CA 0.260 58.449 58.200 -0.018 0.000 0.817 46 S CB 1.564 64.762 63.200 -0.004 0.000 1.107 46 S HN 1.301 nan 8.310 nan 0.000 0.471 47 S N -0.389 115.317 115.700 0.011 0.000 2.615 47 S HA 0.864 5.350 4.470 0.026 0.000 0.268 47 S C -0.943 173.661 174.600 0.007 0.000 1.146 47 S CA -0.195 58.009 58.200 0.006 0.000 0.818 47 S CB 1.040 64.276 63.200 0.059 0.000 1.111 47 S HN 2.056 nan 8.310 nan 0.000 0.465 48 T N -1.294 113.243 114.554 -0.029 0.000 2.906 48 T HA 0.800 5.166 4.350 0.026 0.000 0.295 48 T C -3.378 171.212 174.700 -0.183 0.000 1.061 48 T CA -2.118 59.928 62.100 -0.090 0.000 1.000 48 T CB 1.115 69.925 68.868 -0.096 0.000 1.103 48 T HN 0.449 nan 8.240 nan 0.000 0.486 49 P HA 0.338 nan 4.420 nan 0.000 0.268 49 P C 0.542 177.541 177.300 -0.502 0.000 1.204 49 P CA -0.038 62.494 63.100 -0.947 0.000 0.768 49 P CB 0.338 31.142 31.700 -1.492 0.000 0.842 50 G N 1.804 110.415 108.800 -0.314 0.000 4.144 50 G HA2 0.507 4.482 3.960 0.026 0.000 0.297 50 G HA3 0.507 4.482 3.960 0.026 0.000 0.297 50 G C 0.294 175.223 174.900 0.048 0.000 1.090 50 G CA 0.087 45.148 45.100 -0.066 0.000 0.870 50 G HN 0.881 nan 8.290 nan 0.000 0.532 51 G N 0.011 108.853 108.800 0.070 0.000 2.758 51 G HA2 -0.094 3.882 3.960 0.026 0.000 0.686 51 G HA3 -0.094 3.882 3.960 0.026 0.000 0.686 51 G C -0.705 174.384 174.900 0.314 0.000 1.389 51 G CA -0.519 44.695 45.100 0.191 0.000 0.845 51 G HN 0.683 nan 8.290 nan 0.000 0.572 52 I N 1.219 121.929 120.570 0.232 0.000 2.478 52 I HA 0.572 4.758 4.170 0.026 0.000 0.287 52 I C 0.389 176.581 176.117 0.125 0.000 1.042 52 I CA -0.409 60.994 61.300 0.171 0.000 1.067 52 I CB 2.526 40.602 38.000 0.125 0.000 1.233 52 I HN 0.914 nan 8.210 nan 0.000 0.431 53 T N 0.765 115.388 114.554 0.114 0.000 2.841 53 T HA 0.494 4.860 4.350 0.026 0.000 0.283 53 T C -0.119 174.642 174.700 0.102 0.000 1.000 53 T CA -0.497 61.658 62.100 0.092 0.000 0.977 53 T CB 2.053 70.965 68.868 0.073 0.000 0.979 53 T HN 0.679 nan 8.240 nan 0.000 0.446 54 D N 1.227 121.680 120.400 0.089 0.000 3.608 54 D HA -0.201 4.455 4.640 0.026 0.000 0.152 54 D C -0.212 176.256 176.300 0.280 0.000 0.971 54 D CA 1.759 55.804 54.000 0.076 0.000 1.072 54 D CB -0.761 40.032 40.800 -0.012 0.000 0.507 54 D HN 0.742 nan 8.370 nan 0.000 0.520 55 W N 1.451 122.748 121.300 -0.006 0.000 3.015 55 W HA 0.383 5.059 4.660 0.026 0.000 0.429 55 W C 0.052 176.538 176.519 -0.056 0.000 0.976 55 W CA 0.004 57.327 57.345 -0.036 0.000 2.086 55 W CB -0.352 29.096 29.460 -0.019 0.000 1.125 55 W HN -0.067 nan 8.180 nan 0.000 0.721 56 T N 1.103 115.762 114.554 0.175 0.000 2.809 56 T HA 0.648 5.013 4.350 0.026 0.000 0.296 56 T C 0.062 174.819 174.700 0.095 0.000 1.015 56 T CA -0.314 61.855 62.100 0.115 0.000 0.954 56 T CB 1.521 70.466 68.868 0.128 0.000 0.950 56 T HN -0.045 nan 8.240 nan 0.000 0.450 57 A N 3.227 126.077 122.820 0.050 0.000 2.310 57 A HA 0.707 5.042 4.320 0.026 0.000 0.299 57 A C 0.411 178.122 177.584 0.212 0.000 1.147 57 A CA -0.535 51.559 52.037 0.096 0.000 0.818 57 A CB 0.418 19.351 19.000 -0.112 0.000 1.096 57 A HN 0.663 nan 8.150 nan 0.000 0.495 58 T N 3.247 117.981 114.554 0.300 0.000 2.794 58 T HA 0.559 4.925 4.350 0.026 0.000 0.280 58 T C -0.197 174.721 174.700 0.364 0.000 0.987 58 T CA -0.026 62.241 62.100 0.278 0.000 0.993 58 T CB 0.699 69.680 68.868 0.189 0.000 0.939 58 T HN 0.587 nan 8.240 nan 0.000 0.449 59 M N 3.290 123.086 119.600 0.326 0.000 2.294 59 M HA 0.382 4.878 4.480 0.026 0.000 0.335 59 M C -0.151 176.233 176.300 0.141 0.000 1.079 59 M CA -0.865 54.598 55.300 0.272 0.000 0.982 59 M CB 1.262 34.095 32.600 0.389 0.000 1.651 59 M HN 0.339 nan 8.290 nan 0.000 0.437 60 N N 2.937 121.673 118.700 0.059 0.000 2.482 60 N HA 0.223 4.979 4.740 0.026 0.000 0.242 60 N C -1.095 174.404 175.510 -0.018 0.000 1.100 60 N CA 0.019 53.082 53.050 0.022 0.000 0.946 60 N CB 0.850 39.333 38.487 -0.006 0.000 1.227 60 N HN 0.355 nan 8.380 nan 0.000 0.508 61 V N 3.034 122.914 119.914 -0.057 0.000 2.432 61 V HA 0.172 4.308 4.120 0.026 0.000 0.275 61 V C 0.396 176.336 176.094 -0.256 0.000 1.043 61 V CA -0.854 61.304 62.300 -0.236 0.000 0.925 61 V CB 1.017 32.521 31.823 -0.532 0.000 0.985 61 V HN 0.459 nan 8.190 nan 0.000 0.466 62 N N 4.707 123.266 118.700 -0.235 0.000 2.406 62 N HA 0.331 5.086 4.740 0.026 0.000 0.251 62 N C -0.804 174.572 175.510 -0.223 0.000 1.069 62 N CA 0.009 52.976 53.050 -0.137 0.000 0.947 62 N CB 0.818 39.268 38.487 -0.062 0.000 1.111 62 N HN 0.435 nan 8.380 nan 0.000 0.497 63 F N 1.185 121.126 119.950 -0.016 0.000 2.404 63 F HA 0.227 4.769 4.527 0.026 0.000 0.345 63 F C 0.819 176.755 175.800 0.225 0.000 1.110 63 F CA -0.379 57.646 58.000 0.041 0.000 1.130 63 F CB 1.011 39.975 39.000 -0.058 0.000 1.129 63 F HN 0.195 nan 8.300 nan 0.000 0.500 64 D N 2.749 123.397 120.400 0.414 0.000 2.350 64 D HA 0.251 4.907 4.640 0.026 0.000 0.245 64 D C -0.086 176.343 176.300 0.215 0.000 1.036 64 D CA -0.689 53.508 54.000 0.329 0.000 0.848 64 D CB 1.518 42.400 40.800 0.137 0.000 1.307 64 D HN 0.231 nan 8.370 nan 0.000 0.469 65 R N 1.944 122.411 120.500 -0.056 0.000 2.404 65 R HA 0.151 4.506 4.340 0.026 0.000 0.315 65 R C 1.318 177.542 176.300 -0.126 0.000 1.032 65 R CA -0.064 55.832 56.100 -0.339 0.000 0.992 65 R CB 0.480 30.518 30.300 -0.437 0.000 0.959 65 R HN 0.533 nan 8.270 nan 0.000 0.428 66 I N 1.931 122.447 120.570 -0.090 0.000 2.208 66 I HA -0.348 3.838 4.170 0.026 0.000 0.245 66 I C 1.706 177.788 176.117 -0.058 0.000 1.097 66 I CA 1.749 63.021 61.300 -0.046 0.000 1.363 66 I CB -0.227 37.753 38.000 -0.035 0.000 1.051 66 I HN 0.563 nan 8.210 nan 0.000 0.413 67 D N -0.862 119.490 120.400 -0.081 0.000 2.355 67 D HA -0.092 4.564 4.640 0.026 0.000 0.218 67 D C 0.544 176.803 176.300 -0.068 0.000 1.004 67 D CA 0.383 54.339 54.000 -0.073 0.000 0.880 67 D CB -0.265 40.486 40.800 -0.082 0.000 0.911 67 D HN 0.208 nan 8.370 nan 0.000 0.528 68 N N -0.230 118.425 118.700 -0.074 0.000 2.839 68 N HA 0.184 4.940 4.740 0.026 0.000 0.230 68 N C -2.515 172.973 175.510 -0.036 0.000 1.388 68 N CA -1.334 51.686 53.050 -0.050 0.000 0.747 68 N CB 1.473 39.930 38.487 -0.050 0.000 1.411 68 N HN -0.243 nan 8.380 nan 0.000 0.556 69 P HA -0.052 nan 4.420 nan 0.000 0.230 69 P C 1.239 178.556 177.300 0.030 0.000 1.158 69 P CA 0.823 63.927 63.100 0.007 0.000 0.769 69 P CB 0.234 31.938 31.700 0.006 0.000 0.807 70 S N -0.884 114.829 115.700 0.021 0.000 2.447 70 S HA -0.069 4.416 4.470 0.026 0.000 0.233 70 S C 0.922 175.556 174.600 0.057 0.000 1.006 70 S CA 0.432 58.652 58.200 0.033 0.000 0.957 70 S CB -1.187 62.025 63.200 0.021 0.000 0.773 70 S HN 0.075 nan 8.310 nan 0.000 0.507 71 I N 2.045 122.652 120.570 0.061 0.000 2.379 71 I HA 0.324 4.510 4.170 0.026 0.000 0.290 71 I C 0.234 176.501 176.117 0.251 0.000 1.063 71 I CA 0.017 61.385 61.300 0.114 0.000 1.351 71 I CB 1.083 39.115 38.000 0.054 0.000 1.410 71 I HN 0.135 nan 8.210 nan 0.000 0.505 72 T N 6.231 120.955 114.554 0.283 0.000 2.923 72 T HA 0.690 5.056 4.350 0.026 0.000 0.311 72 T C -0.966 173.841 174.700 0.178 0.000 1.183 72 T CA -0.504 61.775 62.100 0.298 0.000 1.020 72 T CB 1.429 70.391 68.868 0.157 0.000 1.165 72 T HN 0.428 nan 8.240 nan 0.000 0.482 73 V N 2.040 121.994 119.914 0.066 0.000 3.114 73 V HA 0.755 4.890 4.120 0.026 0.000 0.308 73 V C -1.171 174.876 176.094 -0.078 0.000 1.168 73 V CA -0.996 61.251 62.300 -0.089 0.000 1.015 73 V CB 1.982 33.665 31.823 -0.233 0.000 1.050 73 V HN 0.967 nan 8.190 nan 0.000 0.433 74 Q N 1.744 121.409 119.800 -0.225 0.000 2.316 74 Q HA 0.553 4.909 4.340 0.026 0.000 0.264 74 Q C -1.608 174.148 176.000 -0.407 0.000 0.987 74 Q CA -0.632 55.072 55.803 -0.164 0.000 0.852 74 Q CB 1.355 30.024 28.738 -0.115 0.000 1.287 74 Q HN 1.009 nan 8.270 nan 0.000 0.448 75 H N 3.296 122.459 119.070 0.155 0.000 2.806 75 H HA 0.389 4.961 4.556 0.026 0.000 0.367 75 H C -2.536 172.848 175.328 0.094 0.000 1.136 75 H CA -1.841 54.263 56.048 0.093 0.000 1.178 75 H CB 2.025 31.802 29.762 0.025 0.000 1.718 75 H HN 0.542 nan 8.280 nan 0.000 0.540 76 P HA 0.077 nan 4.420 nan 0.000 0.276 76 P C -0.341 177.071 177.300 0.187 0.000 1.230 76 P CA -0.288 62.905 63.100 0.154 0.000 0.776 76 P CB 1.135 32.914 31.700 0.131 0.000 0.888 77 V N 4.725 124.735 119.914 0.160 0.000 2.444 77 V HA 0.229 4.365 4.120 0.026 0.000 0.294 77 V C 0.383 176.632 176.094 0.258 0.000 1.022 77 V CA -0.520 61.888 62.300 0.181 0.000 0.850 77 V CB 1.359 33.165 31.823 -0.029 0.000 0.992 77 V HN 0.472 nan 8.190 nan 0.000 0.426 78 Q N 3.030 122.996 119.800 0.277 0.000 2.279 78 Q HA 0.560 4.915 4.340 0.026 0.000 0.256 78 Q C -0.978 175.209 176.000 0.311 0.000 0.937 78 Q CA -0.398 55.562 55.803 0.261 0.000 0.933 78 Q CB 2.221 31.085 28.738 0.210 0.000 1.189 78 Q HN 0.593 nan 8.270 nan 0.000 0.417 79 V N 3.521 123.597 119.914 0.270 0.000 2.378 79 V HA 0.279 4.415 4.120 0.026 0.000 0.288 79 V C -0.470 175.674 176.094 0.084 0.000 1.016 79 V CA -0.598 61.849 62.300 0.245 0.000 0.840 79 V CB 1.413 33.352 31.823 0.195 0.000 0.994 79 V HN 0.709 nan 8.190 nan 0.000 0.431 80 Q N 4.063 123.940 119.800 0.128 0.000 2.310 80 Q HA 0.554 4.910 4.340 0.026 0.000 0.270 80 Q C -1.424 174.634 176.000 0.097 0.000 1.025 80 Q CA -0.584 55.277 55.803 0.097 0.000 0.772 80 Q CB 2.317 31.158 28.738 0.172 0.000 1.253 80 Q HN 0.555 nan 8.270 nan 0.000 0.450 81 V N 4.161 124.056 119.914 -0.032 0.000 2.479 81 V HA 0.038 4.174 4.120 0.026 0.000 0.281 81 V C 1.302 177.617 176.094 0.369 0.000 1.031 81 V CA 0.932 63.264 62.300 0.054 0.000 1.038 81 V CB 0.774 32.447 31.823 -0.250 0.000 0.981 81 V HN 1.043 nan 8.190 nan 0.000 0.478 82 T N 0.209 114.998 114.554 0.392 0.000 3.040 82 T HA 0.137 4.503 4.350 0.026 0.000 0.252 82 T C 0.725 175.694 174.700 0.448 0.000 1.064 82 T CA 0.484 62.836 62.100 0.420 0.000 1.110 82 T CB 0.399 69.516 68.868 0.416 0.000 0.921 82 T HN 0.603 nan 8.240 nan 0.000 0.480 83 S N -0.430 115.527 115.700 0.427 0.000 2.652 83 S HA 0.386 4.872 4.470 0.026 0.000 0.273 83 S C -0.317 174.491 174.600 0.346 0.000 1.172 83 S CA -0.884 57.572 58.200 0.426 0.000 1.009 83 S CB 1.019 64.430 63.200 0.352 0.000 1.094 83 S HN 0.288 nan 8.310 nan 0.000 0.471 84 Y N 5.495 125.925 120.300 0.216 0.000 2.133 84 Y HA -0.041 4.525 4.550 0.026 0.000 0.287 84 Y C 1.878 177.860 175.900 0.137 0.000 1.134 84 Y CA 2.153 60.301 58.100 0.080 0.000 1.133 84 Y CB -0.133 38.323 38.460 -0.007 0.000 0.987 84 Y HN 0.713 nan 8.280 nan 0.000 0.502 85 N N 0.402 119.310 118.700 0.347 0.000 2.223 85 N HA -0.158 4.598 4.740 0.026 0.000 0.185 85 N C 0.454 176.061 175.510 0.162 0.000 1.016 85 N CA 1.453 54.646 53.050 0.238 0.000 0.863 85 N CB -0.350 38.294 38.487 0.262 0.000 0.983 85 N HN 0.526 nan 8.380 nan 0.000 0.429 86 N N 1.030 119.850 118.700 0.200 0.000 2.234 86 N HA 0.062 4.817 4.740 0.026 0.000 0.227 86 N C -0.778 174.879 175.510 0.245 0.000 1.151 86 N CA -0.107 53.068 53.050 0.209 0.000 0.865 86 N CB 0.293 38.914 38.487 0.223 0.000 1.066 86 N HN 0.068 nan 8.380 nan 0.000 0.515 87 N N 1.547 120.367 118.700 0.200 0.000 2.696 87 N HA -0.137 4.619 4.740 0.026 0.000 0.256 87 N C -0.859 174.852 175.510 0.335 0.000 1.031 87 N CA 0.880 54.062 53.050 0.220 0.000 0.730 87 N CB -1.249 37.421 38.487 0.304 0.000 0.894 87 N HN 0.396 nan 8.380 nan 0.000 0.544 88 S N -0.501 115.411 115.700 0.352 0.000 2.548 88 S HA 0.838 5.324 4.470 0.026 0.000 0.286 88 S C -0.595 174.296 174.600 0.485 0.000 1.098 88 S CA -0.900 57.547 58.200 0.412 0.000 0.930 88 S CB 2.776 66.207 63.200 0.387 0.000 1.070 88 S HN 0.420 nan 8.310 nan 0.000 0.480 89 Y N -0.213 120.308 120.300 0.369 0.000 2.715 89 Y HA 0.821 5.387 4.550 0.027 0.000 0.331 89 Y C -0.835 175.268 175.900 0.338 0.000 1.197 89 Y CA -1.335 56.950 58.100 0.309 0.000 1.079 89 Y CB 1.187 39.800 38.460 0.255 0.000 1.298 89 Y HN 0.967 nan 8.280 nan 0.000 0.477 90 R N 1.240 121.930 120.500 0.317 0.000 2.698 90 R HA 0.779 5.135 4.340 0.026 0.000 0.275 90 R C -2.486 173.995 176.300 0.303 0.000 1.001 90 R CA -0.858 55.279 56.100 0.061 0.000 0.896 90 R CB 2.541 32.776 30.300 -0.107 0.000 1.218 90 R HN 0.741 nan 8.270 nan 0.000 0.462 91 V N 4.835 124.930 119.914 0.303 0.000 2.531 91 V HA 0.579 4.715 4.120 0.026 0.000 0.301 91 V C -0.716 175.660 176.094 0.469 0.000 1.034 91 V CA -0.789 61.816 62.300 0.508 0.000 0.865 91 V CB 1.644 33.935 31.823 0.780 0.000 0.995 91 V HN 0.838 nan 8.190 nan 0.000 0.424 92 R N 4.382 125.134 120.500 0.421 0.000 2.651 92 R HA 0.863 5.218 4.340 0.026 0.000 0.278 92 R C -1.600 174.942 176.300 0.404 0.000 1.010 92 R CA -0.607 55.723 56.100 0.383 0.000 0.896 92 R CB 2.451 32.874 30.300 0.206 0.000 1.211 92 R HN 0.625 nan 8.270 nan 0.000 0.456 93 F N -0.377 119.684 119.950 0.184 0.000 2.686 93 F HA 0.578 5.121 4.527 0.026 0.000 0.311 93 F C -1.821 173.963 175.800 -0.026 0.000 1.128 93 F CA -1.193 56.826 58.000 0.032 0.000 0.946 93 F CB 2.008 40.979 39.000 -0.049 0.000 1.336 93 F HN 0.522 nan 8.300 nan 0.000 0.457 94 N N 2.221 120.898 118.700 -0.037 0.000 2.540 94 N HA 0.455 5.211 4.740 0.026 0.000 0.275 94 N C -2.384 172.911 175.510 -0.359 0.000 1.053 94 N CA -2.588 50.322 53.050 -0.233 0.000 0.876 94 N CB 2.103 40.514 38.487 -0.125 0.000 1.284 94 N HN 0.414 nan 8.380 nan 0.000 0.518 95 P HA 0.090 nan 4.420 nan 0.000 0.242 95 P C -0.264 176.624 177.300 -0.686 0.000 1.197 95 P CA 0.766 63.099 63.100 -1.279 0.000 0.765 95 P CB 0.636 31.279 31.700 -1.761 0.000 0.936 96 D N -0.852 119.319 120.400 -0.381 0.000 2.417 96 D HA 0.238 4.893 4.640 0.026 0.000 0.207 96 D C 1.305 177.536 176.300 -0.115 0.000 1.075 96 D CA 0.580 54.454 54.000 -0.210 0.000 0.851 96 D CB 1.412 42.111 40.800 -0.170 0.000 0.976 96 D HN 0.203 nan 8.370 nan 0.000 0.505 97 G N 1.023 109.763 108.800 -0.099 0.000 2.341 97 G HA2 0.236 4.212 3.960 0.026 0.000 0.299 97 G HA3 0.236 4.212 3.960 0.026 0.000 0.299 97 G C -2.950 171.928 174.900 -0.036 0.000 1.274 97 G CA -0.792 44.280 45.100 -0.048 0.000 0.853 97 G HN -0.256 nan 8.290 nan 0.000 0.493 98 P HA 0.370 nan 4.420 nan 0.000 0.272 98 P C -0.053 177.219 177.300 -0.046 0.000 1.223 98 P CA -0.126 62.961 63.100 -0.022 0.000 0.784 98 P CB 0.967 32.652 31.700 -0.026 0.000 0.923 99 I N 2.011 122.576 120.570 -0.009 0.000 2.648 99 I HA 0.115 4.301 4.170 0.026 0.000 0.284 99 I C 1.337 177.427 176.117 -0.044 0.000 1.153 99 I CA 0.447 61.745 61.300 -0.004 0.000 1.426 99 I CB 0.072 38.106 38.000 0.056 0.000 1.381 99 I HN 0.280 nan 8.210 nan 0.000 0.571 100 R N 4.313 124.771 120.500 -0.071 0.000 2.628 100 R HA 0.303 4.659 4.340 0.026 0.000 0.288 100 R C -1.405 174.923 176.300 0.047 0.000 0.980 100 R CA -0.758 55.258 56.100 -0.139 0.000 0.891 100 R CB 1.376 31.361 30.300 -0.525 0.000 1.188 100 R HN 0.487 nan 8.270 nan 0.000 0.450 101 D N 3.352 123.792 120.400 0.068 0.000 2.312 101 D HA 0.080 4.736 4.640 0.026 0.000 0.252 101 D C 0.200 176.653 176.300 0.255 0.000 1.150 101 D CA -0.060 54.021 54.000 0.135 0.000 0.870 101 D CB 1.395 42.238 40.800 0.072 0.000 1.153 101 D HN 0.339 nan 8.370 nan 0.000 0.457 102 V N 1.249 121.287 119.914 0.207 0.000 2.673 102 V HA 0.104 4.240 4.120 0.026 0.000 0.303 102 V C 1.323 177.430 176.094 0.021 0.000 1.046 102 V CA 0.007 62.311 62.300 0.007 0.000 1.126 102 V CB 0.597 32.313 31.823 -0.178 0.000 0.934 102 V HN 0.655 nan 8.190 nan 0.000 0.487 103 T N 1.088 115.643 114.554 0.001 0.000 3.065 103 T HA 0.199 4.565 4.350 0.026 0.000 0.252 103 T C 0.689 175.394 174.700 0.009 0.000 1.099 103 T CA 0.409 62.522 62.100 0.023 0.000 1.063 103 T CB -0.056 68.844 68.868 0.052 0.000 0.948 103 T HN 0.847 nan 8.240 nan 0.000 0.506 104 R N 0.049 120.523 120.500 -0.043 0.000 2.574 104 R HA 0.590 4.946 4.340 0.026 0.000 0.288 104 R C -0.779 175.480 176.300 -0.068 0.000 1.004 104 R CA -0.081 56.019 56.100 0.001 0.000 0.895 104 R CB 1.541 31.839 30.300 -0.002 0.000 1.191 104 R HN 0.397 nan 8.270 nan 0.000 0.444 105 G N 3.438 112.254 108.800 0.026 0.000 2.369 105 G HA2 0.002 3.978 3.960 0.026 0.000 0.307 105 G HA3 0.002 3.978 3.960 0.026 0.000 0.307 105 G C -2.600 172.354 174.900 0.090 0.000 1.327 105 G CA -0.748 44.290 45.100 -0.103 0.000 0.963 105 G HN 0.382 nan 8.290 nan 0.000 0.590 106 P HA 0.074 nan 4.420 nan 0.000 0.217 106 P C 0.751 178.031 177.300 -0.034 0.000 1.150 106 P CA 1.064 64.165 63.100 0.002 0.000 0.832 106 P CB 0.226 31.827 31.700 -0.166 0.000 0.787 107 I N 0.752 121.346 120.570 0.041 0.000 2.354 107 I HA 0.295 4.481 4.170 0.026 0.000 0.286 107 I C 0.259 176.407 176.117 0.051 0.000 1.007 107 I CA -0.824 60.500 61.300 0.041 0.000 1.167 107 I CB 1.172 39.235 38.000 0.105 0.000 1.320 107 I HN -0.142 nan 8.210 nan 0.000 0.458 108 L N 5.584 126.807 121.223 0.001 0.000 2.334 108 L HA 0.439 4.795 4.340 0.026 0.000 0.273 108 L C 1.516 178.334 176.870 -0.087 0.000 1.013 108 L CA -0.675 54.135 54.840 -0.051 0.000 0.816 108 L CB 2.418 44.408 42.059 -0.115 0.000 1.278 108 L HN 0.545 nan 8.230 nan 0.000 0.431 109 K N 1.332 121.688 120.400 -0.074 0.000 2.063 109 K HA -0.230 4.106 4.320 0.026 0.000 0.208 109 K C 1.543 178.050 176.600 -0.155 0.000 1.048 109 K CA 1.983 58.234 56.287 -0.060 0.000 0.928 109 K CB 0.185 32.667 32.500 -0.030 0.000 0.713 109 K HN 0.637 nan 8.250 nan 0.000 0.442 110 Q N 0.413 120.007 119.800 -0.344 0.000 2.152 110 Q HA -0.246 4.110 4.340 0.026 0.000 0.206 110 Q C 2.083 177.766 176.000 -0.529 0.000 0.985 110 Q CA 2.078 57.542 55.803 -0.564 0.000 0.863 110 Q CB -0.236 27.857 28.738 -1.074 0.000 0.904 110 Q HN 0.364 nan 8.270 nan 0.000 0.422 111 Q N 0.389 119.878 119.800 -0.518 0.000 2.083 111 Q HA -0.020 4.336 4.340 0.026 0.000 0.198 111 Q C 1.789 177.874 176.000 0.141 0.000 0.969 111 Q CA 1.149 56.937 55.803 -0.024 0.000 0.838 111 Q CB -0.144 28.642 28.738 0.080 0.000 0.900 111 Q HN 0.445 nan 8.270 nan 0.000 0.436 112 L N 0.558 121.825 121.223 0.075 0.000 2.042 112 L HA -0.223 4.133 4.340 0.026 0.000 0.210 112 L C 1.861 178.791 176.870 0.099 0.000 1.076 112 L CA 1.451 56.370 54.840 0.130 0.000 0.749 112 L CB -0.626 41.512 42.059 0.132 0.000 0.893 112 L HN 0.267 nan 8.230 nan 0.000 0.432 113 D N -0.830 119.598 120.400 0.047 0.000 2.117 113 D HA -0.231 4.425 4.640 0.026 0.000 0.197 113 D C 1.719 178.049 176.300 0.050 0.000 0.987 113 D CA 1.142 55.148 54.000 0.009 0.000 0.829 113 D CB -0.264 40.532 40.800 -0.007 0.000 0.961 113 D HN 0.410 nan 8.370 nan 0.000 0.460 114 W N 1.448 122.740 121.300 -0.013 0.000 2.355 114 W HA -0.133 4.543 4.660 0.026 0.000 0.309 114 W C 2.129 178.666 176.519 0.030 0.000 1.206 114 W CA 1.229 58.598 57.345 0.040 0.000 1.284 114 W CB -0.359 29.182 29.460 0.134 0.000 1.145 114 W HN -0.123 nan 8.180 nan 0.000 0.502 115 I N 0.304 121.077 120.570 0.338 0.000 2.127 115 I HA -0.348 3.838 4.170 0.026 0.000 0.241 115 I C 2.733 178.815 176.117 -0.058 0.000 1.075 115 I CA 1.946 63.365 61.300 0.199 0.000 1.334 115 I CB -0.786 37.408 38.000 0.324 0.000 1.040 115 I HN -0.027 nan 8.210 nan 0.000 0.405 116 R N 0.463 120.890 120.500 -0.122 0.000 2.081 116 R HA -0.167 4.189 4.340 0.026 0.000 0.235 116 R C 2.300 178.306 176.300 -0.489 0.000 1.131 116 R CA 2.162 57.991 56.100 -0.451 0.000 0.960 116 R CB -0.322 29.618 30.300 -0.599 0.000 0.856 116 R HN 0.290 nan 8.270 nan 0.000 0.436 117 T N 1.208 115.540 114.554 -0.370 0.000 2.684 117 T HA -0.160 4.205 4.350 0.026 0.000 0.267 117 T C 1.775 176.265 174.700 -0.349 0.000 1.036 117 T CA 1.234 63.130 62.100 -0.340 0.000 1.148 117 T CB -0.181 68.512 68.868 -0.293 0.000 0.863 117 T HN 0.294 nan 8.240 nan 0.000 0.436 118 Q N 1.039 120.549 119.800 -0.483 0.000 2.030 118 Q HA -0.129 4.226 4.340 0.026 0.000 0.204 118 Q C 2.363 178.241 176.000 -0.204 0.000 0.986 118 Q CA 1.544 57.087 55.803 -0.434 0.000 0.843 118 Q CB -0.378 27.942 28.738 -0.695 0.000 0.904 118 Q HN 0.676 nan 8.270 nan 0.000 0.420 119 E N 0.387 120.512 120.200 -0.125 0.000 2.077 119 E HA -0.127 4.239 4.350 0.026 0.000 0.193 119 E C 2.290 178.912 176.600 0.037 0.000 0.989 119 E CA 0.564 56.993 56.400 0.047 0.000 0.800 119 E CB -0.136 29.725 29.700 0.269 0.000 0.746 119 E HN 0.243 nan 8.360 nan 0.000 0.452 120 L N 1.173 122.357 121.223 -0.066 0.000 2.042 120 L HA -0.220 4.135 4.340 0.026 0.000 0.210 120 L C 2.739 179.577 176.870 -0.053 0.000 1.076 120 L CA 1.535 56.344 54.840 -0.052 0.000 0.749 120 L CB -0.572 41.378 42.059 -0.182 0.000 0.893 120 L HN 0.203 nan 8.230 nan 0.000 0.432 121 S N -0.893 114.752 115.700 -0.091 0.000 2.442 121 S HA -0.187 4.299 4.470 0.026 0.000 0.236 121 S C 1.524 176.100 174.600 -0.041 0.000 1.007 121 S CA 1.141 59.299 58.200 -0.071 0.000 0.965 121 S CB -0.324 62.820 63.200 -0.094 0.000 0.773 121 S HN 0.526 nan 8.310 nan 0.000 0.504 122 E N 0.422 120.604 120.200 -0.029 0.000 2.479 122 E HA 0.311 4.677 4.350 0.026 0.000 0.193 122 E C 1.235 177.829 176.600 -0.010 0.000 1.049 122 E CA 0.201 56.597 56.400 -0.008 0.000 0.870 122 E CB 0.074 29.782 29.700 0.014 0.000 0.944 122 E HN 0.698 nan 8.360 nan 0.000 0.492 123 G N 1.056 109.846 108.800 -0.018 0.000 2.175 123 G HA2 -0.293 3.683 3.960 0.026 0.000 0.244 123 G HA3 -0.293 3.683 3.960 0.026 0.000 0.244 123 G C 0.402 175.247 174.900 -0.091 0.000 0.982 123 G CA -0.130 44.950 45.100 -0.034 0.000 0.641 123 G HN 0.320 nan 8.290 nan 0.000 0.527 124 C N 1.255 120.488 119.300 -0.111 0.000 2.590 124 C HA 0.460 4.936 4.460 0.026 0.000 0.411 124 C C 0.520 175.333 174.990 -0.295 0.000 1.420 124 C CA 0.538 59.325 59.018 -0.386 0.000 1.643 124 C CB 0.199 27.809 27.740 -0.217 0.000 2.528 124 C HN 0.518 nan 8.230 nan 0.000 0.606 125 D N 3.385 123.446 120.400 -0.564 0.000 2.402 125 D HA 0.346 5.002 4.640 0.026 0.000 0.252 125 D C -1.727 174.391 176.300 -0.303 0.000 1.294 125 D CA -1.435 52.397 54.000 -0.279 0.000 0.948 125 D CB 1.242 41.968 40.800 -0.124 0.000 1.202 125 D HN 0.187 nan 8.370 nan 0.000 0.561 126 P HA 0.157 nan 4.420 nan 0.000 0.230 126 P C 0.837 178.082 177.300 -0.092 0.000 1.158 126 P CA 0.556 63.544 63.100 -0.187 0.000 0.769 126 P CB 0.240 31.581 31.700 -0.598 0.000 0.807 127 G N -0.075 108.661 108.800 -0.107 0.000 2.305 127 G HA2 -0.318 3.658 3.960 0.026 0.000 0.287 127 G HA3 -0.318 3.658 3.960 0.026 0.000 0.287 127 G C 0.122 174.992 174.900 -0.051 0.000 1.036 127 G CA -0.054 45.014 45.100 -0.053 0.000 0.887 127 G HN 0.257 nan 8.290 nan 0.000 0.505 128 M N 0.600 120.148 119.600 -0.086 0.000 2.327 128 M HA 0.301 4.796 4.480 0.026 0.000 0.353 128 M C 0.697 176.936 176.300 -0.102 0.000 1.539 128 M CA 1.071 56.313 55.300 -0.095 0.000 1.039 128 M CB 0.505 32.999 32.600 -0.176 0.000 1.967 128 M HN 0.255 nan 8.290 nan 0.000 0.459 129 T N 3.509 117.982 114.554 -0.136 0.000 2.916 129 T HA 0.595 4.960 4.350 0.026 0.000 0.305 129 T C -1.411 173.171 174.700 -0.197 0.000 1.119 129 T CA -0.614 61.420 62.100 -0.110 0.000 1.008 129 T CB 0.837 69.685 68.868 -0.033 0.000 1.129 129 T HN 0.327 nan 8.240 nan 0.000 0.480 130 F N 3.577 123.530 119.950 0.005 0.000 2.411 130 F HA 0.385 4.927 4.527 0.026 0.000 0.355 130 F C 1.645 177.424 175.800 -0.035 0.000 1.117 130 F CA -0.448 57.548 58.000 -0.008 0.000 1.139 130 F CB 1.328 40.323 39.000 -0.008 0.000 1.120 130 F HN 0.647 nan 8.300 nan 0.000 0.493 131 T N -0.947 113.681 114.554 0.124 0.000 2.701 131 T HA 0.071 4.436 4.350 0.026 0.000 0.303 131 T C 1.408 176.085 174.700 -0.039 0.000 1.030 131 T CA -0.102 62.007 62.100 0.015 0.000 1.010 131 T CB 0.743 69.595 68.868 -0.027 0.000 1.007 131 T HN 0.624 nan 8.240 nan 0.000 0.532 132 S N 0.246 115.898 115.700 -0.081 0.000 2.399 132 S HA -0.141 4.345 4.470 0.026 0.000 0.231 132 S C 1.523 176.014 174.600 -0.183 0.000 1.022 132 S CA 1.050 59.191 58.200 -0.099 0.000 0.983 132 S CB -0.730 62.424 63.200 -0.078 0.000 0.803 132 S HN 0.819 nan 8.310 nan 0.000 0.480 133 E N 1.403 121.403 120.200 -0.333 0.000 2.478 133 E HA 0.293 4.659 4.350 0.026 0.000 0.198 133 E C 1.458 177.701 176.600 -0.594 0.000 1.046 133 E CA 0.566 56.624 56.400 -0.570 0.000 0.870 133 E CB -0.670 28.407 29.700 -1.039 0.000 0.818 133 E HN 0.697 nan 8.360 nan 0.000 0.527 134 G N -0.247 108.343 108.800 -0.349 0.000 2.157 134 G HA2 -0.253 3.723 3.960 0.026 0.000 0.239 134 G HA3 -0.253 3.723 3.960 0.026 0.000 0.239 134 G C -0.157 174.855 174.900 0.187 0.000 0.982 134 G CA -0.278 44.766 45.100 -0.094 0.000 0.650 134 G HN 0.135 nan 8.290 nan 0.000 0.527 135 F N 0.012 120.048 119.950 0.143 0.000 2.418 135 F HA 0.665 5.208 4.527 0.026 0.000 0.341 135 F C 0.655 176.477 175.800 0.037 0.000 1.120 135 F CA -1.812 56.215 58.000 0.045 0.000 1.232 135 F CB 0.858 39.809 39.000 -0.081 0.000 1.175 135 F HN 0.086 nan 8.300 nan 0.000 0.569 136 L N 3.058 124.332 121.223 0.086 0.000 2.289 136 L HA 0.609 4.965 4.340 0.026 0.000 0.285 136 L C 0.035 176.778 176.870 -0.213 0.000 1.049 136 L CA 0.016 54.742 54.840 -0.189 0.000 0.804 136 L CB 0.935 42.835 42.059 -0.264 0.000 1.195 136 L HN 0.782 nan 8.230 nan 0.000 0.428 137 T N 2.022 116.460 114.554 -0.192 0.000 2.900 137 T HA 0.851 5.217 4.350 0.026 0.000 0.295 137 T C -0.655 173.981 174.700 -0.107 0.000 1.044 137 T CA -0.565 61.388 62.100 -0.244 0.000 0.995 137 T CB 1.479 70.222 68.868 -0.209 0.000 1.072 137 T HN 0.637 nan 8.240 nan 0.000 0.473 138 F N -1.396 118.383 119.950 -0.284 0.000 2.773 138 F HA 0.835 5.378 4.527 0.026 0.000 0.314 138 F C -1.364 174.292 175.800 -0.240 0.000 1.160 138 F CA -1.167 56.677 58.000 -0.260 0.000 0.920 138 F CB 1.194 40.017 39.000 -0.295 0.000 1.323 138 F HN 0.675 nan 8.300 nan 0.000 0.457 139 E N 0.507 120.719 120.200 0.020 0.000 2.312 139 E HA 0.594 4.960 4.350 0.026 0.000 0.267 139 E C -1.032 175.574 176.600 0.010 0.000 0.894 139 E CA -1.033 55.326 56.400 -0.068 0.000 0.773 139 E CB 2.872 32.555 29.700 -0.028 0.000 1.241 139 E HN 0.838 nan 8.360 nan 0.000 0.432 140 T N -2.044 112.384 114.554 -0.210 0.000 2.804 140 T HA 0.295 4.661 4.350 0.026 0.000 0.272 140 T C 1.045 175.139 174.700 -1.010 0.000 0.986 140 T CA -0.759 60.999 62.100 -0.571 0.000 0.999 140 T CB 1.370 70.088 68.868 -0.250 0.000 1.307 140 T HN 0.455 nan 8.240 nan 0.000 0.586 141 K N 0.055 119.665 120.400 -1.317 0.000 2.074 141 K HA -0.160 4.176 4.320 0.026 0.000 0.209 141 K C 0.861 177.288 176.600 -0.290 0.000 1.048 141 K CA 2.127 57.971 56.287 -0.739 0.000 0.926 141 K CB -0.170 32.136 32.500 -0.324 0.000 0.713 141 K HN 0.579 nan 8.250 nan 0.000 0.444 142 D N -0.711 119.549 120.400 -0.232 0.000 2.469 142 D HA 0.151 4.806 4.640 0.026 0.000 0.213 142 D C 0.070 176.227 176.300 -0.238 0.000 1.135 142 D CA 0.126 54.035 54.000 -0.153 0.000 0.834 142 D CB 0.822 41.601 40.800 -0.035 0.000 1.009 142 D HN 0.137 nan 8.370 nan 0.000 0.507 143 L N 0.311 121.364 121.223 -0.284 0.000 2.309 143 L HA 0.463 4.819 4.340 0.026 0.000 0.261 143 L C -0.092 176.596 176.870 -0.303 0.000 1.021 143 L CA -0.782 53.862 54.840 -0.326 0.000 0.823 143 L CB 2.219 44.061 42.059 -0.362 0.000 1.366 143 L HN -0.189 nan 8.230 nan 0.000 0.423 144 S N 0.409 115.903 115.700 -0.343 0.000 2.541 144 S HA 0.838 5.323 4.470 0.026 0.000 0.280 144 S C -1.188 173.096 174.600 -0.526 0.000 1.112 144 S CA -0.621 57.343 58.200 -0.392 0.000 0.925 144 S CB 2.115 65.142 63.200 -0.289 0.000 1.067 144 S HN 0.262 nan 8.310 nan 0.000 0.479 145 V N 3.684 123.134 119.914 -0.774 0.000 2.656 145 V HA 0.647 4.782 4.120 0.026 0.000 0.307 145 V C -0.608 174.995 176.094 -0.818 0.000 1.051 145 V CA -0.741 60.998 62.300 -0.934 0.000 0.893 145 V CB 1.693 32.548 31.823 -1.613 0.000 0.999 145 V HN 0.996 nan 8.190 nan 0.000 0.426 146 I N 4.884 125.058 120.570 -0.659 0.000 2.545 146 I HA 0.615 4.801 4.170 0.026 0.000 0.292 146 I C -1.253 174.430 176.117 -0.724 0.000 1.040 146 I CA -0.616 60.286 61.300 -0.665 0.000 1.068 146 I CB 1.551 39.145 38.000 -0.676 0.000 1.251 146 I HN 0.556 nan 8.210 nan 0.000 0.424 147 I N 7.797 127.964 120.570 -0.670 0.000 2.410 147 I HA 0.310 4.496 4.170 0.026 0.000 0.286 147 I C -0.904 174.889 176.117 -0.539 0.000 1.009 147 I CA -0.547 60.388 61.300 -0.608 0.000 1.111 147 I CB 1.259 38.907 38.000 -0.586 0.000 1.262 147 I HN 0.499 nan 8.210 nan 0.000 0.443 148 Y N 3.193 123.303 120.300 -0.316 0.000 2.356 148 Y HA 0.300 4.865 4.550 0.026 0.000 0.341 148 Y C 1.777 177.663 175.900 -0.024 0.000 1.343 148 Y CA 0.197 58.083 58.100 -0.356 0.000 1.570 148 Y CB 0.337 38.476 38.460 -0.535 0.000 1.558 148 Y HN 0.617 nan 8.280 nan 0.000 0.557 149 G N 0.390 109.380 108.800 0.318 0.000 2.440 149 G HA2 -0.304 3.672 3.960 0.026 0.000 0.218 149 G HA3 -0.304 3.672 3.960 0.026 0.000 0.218 149 G C 1.043 176.044 174.900 0.168 0.000 1.154 149 G CA 1.195 46.463 45.100 0.281 0.000 0.767 149 G HN 0.689 nan 8.290 nan 0.000 0.552 150 N N -1.242 117.535 118.700 0.128 0.000 2.370 150 N HA 0.082 4.837 4.740 0.026 0.000 0.198 150 N C 0.723 176.343 175.510 0.183 0.000 1.156 150 N CA -0.306 52.800 53.050 0.093 0.000 0.839 150 N CB -0.260 38.256 38.487 0.047 0.000 0.989 150 N HN 0.308 nan 8.380 nan 0.000 0.468 151 F N -0.960 118.996 119.950 0.011 0.000 2.544 151 F HA -0.255 4.288 4.527 0.026 0.000 0.389 151 F C 0.277 176.095 175.800 0.030 0.000 0.588 151 F CA 0.260 58.269 58.000 0.015 0.000 1.461 151 F CB -1.307 37.682 39.000 -0.018 0.000 1.995 151 F HN 0.101 nan 8.300 nan 0.000 0.282 152 K N 2.170 122.629 120.400 0.098 0.000 2.491 152 K HA 0.283 4.619 4.320 0.026 0.000 0.279 152 K C -0.361 176.218 176.600 -0.035 0.000 1.026 152 K CA 1.120 57.446 56.287 0.066 0.000 1.070 152 K CB 0.466 33.014 32.500 0.079 0.000 0.887 152 K HN 0.183 nan 8.250 nan 0.000 0.481 153 T N 6.240 120.744 114.554 -0.083 0.000 2.848 153 T HA 0.462 4.827 4.350 0.026 0.000 0.285 153 T C -0.729 173.858 174.700 -0.188 0.000 0.995 153 T CA -0.783 61.187 62.100 -0.217 0.000 0.970 153 T CB 0.889 69.611 68.868 -0.243 0.000 0.976 153 T HN 0.517 nan 8.240 nan 0.000 0.441 154 R N 1.810 122.162 120.500 -0.247 0.000 2.534 154 R HA 0.673 5.029 4.340 0.026 0.000 0.301 154 R C -1.250 174.855 176.300 -0.325 0.000 0.961 154 R CA -0.780 55.182 56.100 -0.229 0.000 0.871 154 R CB 2.088 32.297 30.300 -0.153 0.000 1.170 154 R HN 0.357 nan 8.270 nan 0.000 0.446 155 V N 2.748 122.469 119.914 -0.321 0.000 2.384 155 V HA 0.347 4.483 4.120 0.026 0.000 0.287 155 V C -0.100 175.792 176.094 -0.337 0.000 1.020 155 V CA -0.486 61.596 62.300 -0.362 0.000 0.850 155 V CB 1.779 33.391 31.823 -0.352 0.000 0.987 155 V HN 0.751 nan 8.190 nan 0.000 0.436 156 T N 5.135 119.488 114.554 -0.335 0.000 2.829 156 T HA 0.442 4.808 4.350 0.026 0.000 0.280 156 T C -0.086 174.430 174.700 -0.305 0.000 0.999 156 T CA -0.543 61.381 62.100 -0.294 0.000 0.983 156 T CB 1.368 70.089 68.868 -0.246 0.000 0.968 156 T HN 0.664 nan 8.240 nan 0.000 0.446 157 R N 2.329 122.658 120.500 -0.286 0.000 2.298 157 R HA 0.235 4.591 4.340 0.026 0.000 0.310 157 R C 1.080 177.269 176.300 -0.186 0.000 1.068 157 R CA -0.271 55.670 56.100 -0.264 0.000 0.957 157 R CB 0.379 30.552 30.300 -0.211 0.000 1.003 157 R HN 0.616 nan 8.270 nan 0.000 0.454 158 K N 1.350 121.648 120.400 -0.169 0.000 2.097 158 K HA -0.136 4.200 4.320 0.026 0.000 0.205 158 K C 1.976 178.524 176.600 -0.087 0.000 1.050 158 K CA 1.826 58.038 56.287 -0.125 0.000 0.938 158 K CB 0.042 32.474 32.500 -0.112 0.000 0.718 158 K HN 0.731 nan 8.250 nan 0.000 0.442 159 S N 1.847 117.506 115.700 -0.068 0.000 2.383 159 S HA -0.175 4.311 4.470 0.026 0.000 0.229 159 S C 1.429 176.003 174.600 -0.043 0.000 1.030 159 S CA 1.808 59.983 58.200 -0.041 0.000 1.002 159 S CB -0.261 62.927 63.200 -0.019 0.000 0.829 159 S HN 0.429 nan 8.310 nan 0.000 0.467 160 D N -1.221 119.146 120.400 -0.055 0.000 2.500 160 D HA 0.269 4.925 4.640 0.026 0.000 0.217 160 D C 1.325 177.581 176.300 -0.074 0.000 1.159 160 D CA 0.484 54.452 54.000 -0.053 0.000 0.828 160 D CB -0.446 40.331 40.800 -0.038 0.000 1.039 160 D HN 0.626 nan 8.370 nan 0.000 0.512 161 G N 1.351 110.094 108.800 -0.096 0.000 2.155 161 G HA2 -0.360 3.616 3.960 0.026 0.000 0.257 161 G HA3 -0.360 3.616 3.960 0.026 0.000 0.257 161 G C 0.186 175.004 174.900 -0.136 0.000 0.983 161 G CA 0.431 45.463 45.100 -0.113 0.000 0.676 161 G HN 0.625 nan 8.290 nan 0.000 0.528 162 K N 0.838 121.150 120.400 -0.146 0.000 2.379 162 K HA 0.442 4.777 4.320 0.026 0.000 0.284 162 K C 0.697 177.145 176.600 -0.253 0.000 1.044 162 K CA -0.589 55.586 56.287 -0.188 0.000 0.974 162 K CB 0.614 33.007 32.500 -0.178 0.000 0.962 162 K HN 0.027 nan 8.250 nan 0.000 0.474 163 V N 7.578 127.334 119.914 -0.264 0.000 2.485 163 V HA -0.022 4.114 4.120 0.026 0.000 0.287 163 V C 1.260 177.107 176.094 -0.412 0.000 1.022 163 V CA 0.232 62.358 62.300 -0.291 0.000 1.067 163 V CB 0.182 31.869 31.823 -0.227 0.000 0.967 163 V HN 0.799 nan 8.190 nan 0.000 0.479 164 I N 1.622 121.933 120.570 -0.431 0.000 4.070 164 I HA 0.406 4.592 4.170 0.026 0.000 0.328 164 I C 0.482 176.397 176.117 -0.337 0.000 1.298 164 I CA 0.552 61.499 61.300 -0.589 0.000 1.173 164 I CB 0.520 38.243 38.000 -0.461 0.000 1.051 164 I HN 0.534 nan 8.210 nan 0.000 0.409 165 M N 2.824 122.240 119.600 -0.305 0.000 2.414 165 M HA 0.429 4.924 4.480 0.026 0.000 0.287 165 M C -2.175 174.006 176.300 -0.198 0.000 1.181 165 M CA -0.059 55.074 55.300 -0.278 0.000 0.933 165 M CB 2.614 34.773 32.600 -0.736 0.000 1.732 165 M HN 0.450 nan 8.290 nan 0.000 0.486 166 E N 2.480 122.639 120.200 -0.069 0.000 2.343 166 E HA 0.506 4.871 4.350 0.026 0.000 0.278 166 E C -1.390 175.184 176.600 -0.044 0.000 0.910 166 E CA -0.929 55.430 56.400 -0.068 0.000 0.757 166 E CB 1.548 31.255 29.700 0.011 0.000 1.218 166 E HN 0.680 nan 8.360 nan 0.000 0.435 167 N N 1.245 119.913 118.700 -0.052 0.000 2.418 167 N HA 0.260 5.015 4.740 0.026 0.000 0.283 167 N C -0.958 174.579 175.510 0.046 0.000 1.267 167 N CA -0.480 52.579 53.050 0.015 0.000 0.975 167 N CB 0.582 39.111 38.487 0.070 0.000 1.167 167 N HN 0.620 nan 8.380 nan 0.000 0.581 168 D N -2.149 118.300 120.400 0.082 0.000 2.198 168 D HA 0.335 4.990 4.640 0.026 0.000 0.247 168 D C -1.241 175.093 176.300 0.055 0.000 1.010 168 D CA -0.412 53.623 54.000 0.058 0.000 0.880 168 D CB 1.129 41.969 40.800 0.067 0.000 1.209 168 D HN 0.484 nan 8.370 nan 0.000 0.451 169 E N 1.136 121.352 120.200 0.026 0.000 2.238 169 E HA 0.508 4.874 4.350 0.026 0.000 0.267 169 E C -1.302 175.298 176.600 -0.000 0.000 0.887 169 E CA -1.207 55.203 56.400 0.017 0.000 0.769 169 E CB 2.759 32.461 29.700 0.003 0.000 1.187 169 E HN 0.206 nan 8.360 nan 0.000 0.416 170 V N 1.780 121.691 119.914 -0.005 0.000 2.581 170 V HA 0.682 4.817 4.120 0.026 0.000 0.303 170 V C 0.042 176.126 176.094 -0.018 0.000 1.041 170 V CA -0.286 62.002 62.300 -0.019 0.000 0.907 170 V CB 1.707 33.510 31.823 -0.034 0.000 0.994 170 V HN 0.750 nan 8.190 nan 0.000 0.442 171 G N 3.433 112.221 108.800 -0.021 0.000 2.507 171 G HA2 0.581 4.556 3.960 0.026 0.000 0.271 171 G HA3 0.581 4.556 3.960 0.026 0.000 0.271 171 G C -0.088 174.799 174.900 -0.021 0.000 1.189 171 G CA 0.332 45.420 45.100 -0.020 0.000 0.859 171 G HN 1.100 nan 8.290 nan 0.000 0.542 172 T N -2.616 111.927 114.554 -0.018 0.000 2.907 172 T HA 0.608 4.974 4.350 0.026 0.000 0.290 172 T C 1.504 176.194 174.700 -0.017 0.000 1.066 172 T CA 0.227 62.316 62.100 -0.018 0.000 1.012 172 T CB 1.591 70.451 68.868 -0.015 0.000 1.184 172 T HN 0.901 nan 8.240 nan 0.000 0.522 173 A N 1.171 123.981 122.820 -0.017 0.000 1.892 173 A HA 0.047 4.383 4.320 0.026 0.000 0.218 173 A C 1.970 179.546 177.584 -0.013 0.000 1.188 173 A CA 2.405 54.433 52.037 -0.015 0.000 0.631 173 A CB -1.051 17.940 19.000 -0.015 0.000 0.822 173 A HN 1.755 nan 8.150 nan 0.000 0.447 174 S N -4.077 111.616 115.700 -0.011 0.000 2.927 174 S HA 0.183 4.669 4.470 0.026 0.000 0.246 174 S C 0.492 175.088 174.600 -0.007 0.000 0.907 174 S CA 0.486 58.680 58.200 -0.010 0.000 1.326 174 S CB -0.313 62.882 63.200 -0.009 0.000 1.216 174 S HN 0.221 nan 8.310 nan 0.000 0.652 175 S N 1.808 117.504 115.700 -0.007 0.000 2.572 175 S HA 0.658 5.143 4.470 0.026 0.000 0.228 175 S C 0.957 175.556 174.600 -0.002 0.000 0.963 175 S CA 0.197 58.396 58.200 -0.002 0.000 0.939 175 S CB 0.320 63.520 63.200 0.000 0.000 0.804 175 S HN 1.501 nan 8.310 nan 0.000 0.480 176 G N 1.977 110.773 108.800 -0.007 0.000 2.712 176 G HA2 -0.183 3.793 3.960 0.026 0.000 0.683 176 G HA3 -0.183 3.793 3.960 0.026 0.000 0.683 176 G C -0.972 173.923 174.900 -0.009 0.000 1.320 176 G CA -1.134 43.961 45.100 -0.009 0.000 0.847 176 G HN 0.419 nan 8.290 nan 0.000 0.553 177 N N 1.001 119.693 118.700 -0.013 0.000 2.497 177 N HA 0.467 5.223 4.740 0.026 0.000 0.271 177 N C -0.089 175.421 175.510 -0.000 0.000 1.142 177 N CA -0.345 52.698 53.050 -0.012 0.000 0.965 177 N CB 0.748 39.222 38.487 -0.022 0.000 1.077 177 N HN 0.395 nan 8.380 nan 0.000 0.462 178 K N 1.398 121.802 120.400 0.006 0.000 2.182 178 K HA 0.280 4.616 4.320 0.026 0.000 0.262 178 K C -0.838 175.782 176.600 0.033 0.000 0.957 178 K CA -0.576 55.723 56.287 0.020 0.000 0.842 178 K CB 1.695 34.211 32.500 0.026 0.000 1.099 178 K HN 0.510 nan 8.250 nan 0.000 0.438 179 C N 4.338 123.670 119.300 0.052 0.000 2.281 179 C HA 0.267 4.743 4.460 0.026 0.000 0.336 179 C C 1.321 176.379 174.990 0.114 0.000 1.217 179 C CA -0.520 58.552 59.018 0.089 0.000 1.730 179 C CB -0.831 26.992 27.740 0.137 0.000 2.338 179 C HN 0.739 nan 8.230 nan 0.000 0.521 180 R N 3.323 123.885 120.500 0.104 0.000 2.323 180 R HA 0.039 4.395 4.340 0.026 0.000 0.198 180 R C 2.130 178.557 176.300 0.211 0.000 0.988 180 R CA 0.713 56.881 56.100 0.113 0.000 1.041 180 R CB -0.041 30.276 30.300 0.028 0.000 0.926 180 R HN 0.986 nan 8.270 nan 0.000 0.476 181 G N 1.088 110.037 108.800 0.249 0.000 2.462 181 G HA2 -0.156 3.820 3.960 0.026 0.000 0.220 181 G HA3 -0.156 3.820 3.960 0.026 0.000 0.220 181 G C 0.617 175.768 174.900 0.420 0.000 1.121 181 G CA 0.549 45.868 45.100 0.366 0.000 0.758 181 G HN 0.135 nan 8.290 nan 0.000 0.559 182 L N 0.269 121.654 121.223 0.270 0.000 2.372 182 L HA 0.619 4.975 4.340 0.026 0.000 0.274 182 L C -0.584 176.511 176.870 0.374 0.000 0.988 182 L CA -0.365 54.599 54.840 0.207 0.000 0.833 182 L CB 2.021 44.012 42.059 -0.112 0.000 1.236 182 L HN 0.018 nan 8.230 nan 0.000 0.410 183 M N 4.330 124.233 119.600 0.506 0.000 2.501 183 M HA 0.652 5.148 4.480 0.026 0.000 0.293 183 M C -1.268 175.488 176.300 0.759 0.000 1.192 183 M CA -0.575 55.047 55.300 0.538 0.000 0.886 183 M CB 2.830 35.664 32.600 0.390 0.000 1.710 183 M HN 0.453 nan 8.290 nan 0.000 0.457 184 F N -1.031 119.240 119.950 0.535 0.000 2.654 184 F HA 0.787 5.329 4.527 0.026 0.000 0.308 184 F C -1.437 174.366 175.800 0.005 0.000 1.108 184 F CA -1.324 56.835 58.000 0.265 0.000 0.957 184 F CB 0.535 39.586 39.000 0.085 0.000 1.309 184 F HN 0.214 nan 8.300 nan 0.000 0.446 185 V N 2.104 121.768 119.914 -0.417 0.000 2.555 185 V HA 0.081 4.217 4.120 0.026 0.000 0.286 185 V C 0.219 176.302 176.094 -0.018 0.000 1.044 185 V CA -0.197 61.713 62.300 -0.651 0.000 1.026 185 V CB 0.667 31.956 31.823 -0.891 0.000 0.981 185 V HN 0.839 nan 8.190 nan 0.000 0.480 186 D N 3.667 124.083 120.400 0.027 0.000 2.658 186 D HA -0.085 4.571 4.640 0.026 0.000 0.230 186 D C 1.127 177.536 176.300 0.181 0.000 1.118 186 D CA 0.149 54.331 54.000 0.303 0.000 0.848 186 D CB 0.656 41.542 40.800 0.143 0.000 1.160 186 D HN 0.369 nan 8.370 nan 0.000 0.497 187 R N 3.121 123.739 120.500 0.196 0.000 2.280 187 R HA 0.078 4.433 4.340 0.026 0.000 0.207 187 R C 1.810 178.049 176.300 -0.102 0.000 1.043 187 R CA 0.247 56.361 56.100 0.024 0.000 1.006 187 R CB -0.264 30.042 30.300 0.011 0.000 0.885 187 R HN 0.568 nan 8.270 nan 0.000 0.467 188 L N -0.918 120.176 121.223 -0.214 0.000 2.265 188 L HA -0.190 4.166 4.340 0.026 0.000 0.215 188 L C 0.891 177.358 176.870 -0.672 0.000 1.117 188 L CA 1.332 55.854 54.840 -0.531 0.000 0.782 188 L CB -0.095 41.451 42.059 -0.855 0.000 0.914 188 L HN 0.272 nan 8.230 nan 0.000 0.441 189 Y N -2.047 118.217 120.300 -0.060 0.000 2.494 189 Y HA 0.417 4.982 4.550 0.026 0.000 0.271 189 Y C 1.046 176.869 175.900 -0.129 0.000 1.113 189 Y CA 0.022 58.066 58.100 -0.094 0.000 1.240 189 Y CB 0.508 38.893 38.460 -0.125 0.000 1.268 189 Y HN -0.055 nan 8.280 nan 0.000 0.510 190 G N -0.354 108.423 108.800 -0.039 0.000 2.619 190 G HA2 0.336 4.312 3.960 0.026 0.000 0.305 190 G HA3 0.336 4.312 3.960 0.026 0.000 0.305 190 G C -0.894 173.887 174.900 -0.199 0.000 1.330 190 G CA -0.697 44.314 45.100 -0.148 0.000 0.789 190 G HN 0.005 nan 8.290 nan 0.000 0.487 191 N N -0.758 117.750 118.700 -0.320 0.000 2.118 191 N HA 0.438 5.194 4.740 0.026 0.000 0.226 191 N C 0.564 175.880 175.510 -0.325 0.000 1.305 191 N CA 0.186 53.012 53.050 -0.373 0.000 0.890 191 N CB 1.671 39.718 38.487 -0.733 0.000 1.118 191 N HN 0.749 nan 8.380 nan 0.000 0.511 192 A N 1.174 123.825 122.820 -0.282 0.000 2.313 192 A HA 0.661 4.997 4.320 0.026 0.000 0.261 192 A C 0.159 177.803 177.584 0.099 0.000 1.090 192 A CA -0.322 51.673 52.037 -0.071 0.000 0.807 192 A CB 0.073 19.122 19.000 0.082 0.000 1.055 192 A HN 0.331 nan 8.150 nan 0.000 0.492 193 I N -3.353 117.453 120.570 0.393 0.000 3.042 193 I HA 0.934 5.120 4.170 0.026 0.000 0.310 193 I C -0.398 176.174 176.117 0.758 0.000 1.117 193 I CA -1.079 60.576 61.300 0.591 0.000 1.003 193 I CB 2.289 40.549 38.000 0.432 0.000 1.228 193 I HN 0.945 nan 8.210 nan 0.000 0.443 194 A N 1.992 125.261 122.820 0.748 0.000 2.605 194 A HA 0.779 5.115 4.320 0.026 0.000 0.294 194 A C -1.299 176.655 177.584 0.616 0.000 1.062 194 A CA -0.459 51.886 52.037 0.514 0.000 0.682 194 A CB 1.683 20.706 19.000 0.038 0.000 1.278 194 A HN 0.859 nan 8.150 nan 0.000 0.410 195 S N 0.149 116.199 115.700 0.582 0.000 2.575 195 S HA 0.675 5.161 4.470 0.026 0.000 0.278 195 S C -1.467 173.543 174.600 0.683 0.000 1.139 195 S CA -0.366 58.258 58.200 0.708 0.000 0.954 195 S CB 1.298 65.063 63.200 0.942 0.000 1.054 195 S HN 1.374 nan 8.310 nan 0.000 0.483 196 V N 5.186 125.407 119.914 0.513 0.000 2.487 196 V HA 0.592 4.728 4.120 0.026 0.000 0.298 196 V C -0.538 175.767 176.094 0.352 0.000 1.028 196 V CA -0.984 61.586 62.300 0.450 0.000 0.860 196 V CB 1.808 33.770 31.823 0.231 0.000 0.991 196 V HN 0.839 nan 8.190 nan 0.000 0.427 197 N N 2.526 121.450 118.700 0.373 0.000 2.443 197 N HA 0.451 5.207 4.740 0.026 0.000 0.293 197 N C -0.365 175.219 175.510 0.123 0.000 1.159 197 N CA -0.785 52.372 53.050 0.178 0.000 0.904 197 N CB 1.537 40.090 38.487 0.110 0.000 1.214 197 N HN 0.542 nan 8.380 nan 0.000 0.513 198 K N 0.938 121.338 120.400 0.001 0.000 2.436 198 K HA 0.056 4.391 4.320 0.026 0.000 0.275 198 K C -0.198 176.257 176.600 -0.242 0.000 0.999 198 K CA 0.097 56.258 56.287 -0.209 0.000 0.980 198 K CB 0.302 32.576 32.500 -0.378 0.000 0.919 198 K HN 0.398 nan 8.250 nan 0.000 0.484 199 N N 2.762 121.271 118.700 -0.319 0.000 2.448 199 N HA 0.172 4.928 4.740 0.026 0.000 0.279 199 N C -1.180 174.217 175.510 -0.188 0.000 1.025 199 N CA -0.549 52.491 53.050 -0.017 0.000 0.898 199 N CB 0.536 39.081 38.487 0.097 0.000 1.303 199 N HN 0.339 nan 8.380 nan 0.000 0.495 200 F N 2.793 122.889 119.950 0.242 0.000 2.819 200 F HA 0.272 4.815 4.527 0.026 0.000 0.294 200 F C 1.997 177.886 175.800 0.148 0.000 1.166 200 F CA -0.466 57.634 58.000 0.166 0.000 1.374 200 F CB 0.192 39.286 39.000 0.158 0.000 0.956 200 F HN 0.513 nan 8.300 nan 0.000 0.509 201 R N -0.509 120.157 120.500 0.277 0.000 2.127 201 R HA -0.152 4.204 4.340 0.026 0.000 0.238 201 R C 0.817 177.198 176.300 0.134 0.000 1.134 201 R CA 1.712 57.936 56.100 0.207 0.000 0.975 201 R CB -0.421 30.000 30.300 0.202 0.000 0.865 201 R HN 0.132 nan 8.270 nan 0.000 0.447 202 N N 0.858 119.634 118.700 0.126 0.000 2.280 202 N HA -0.017 4.739 4.740 0.026 0.000 0.192 202 N C -0.575 174.999 175.510 0.108 0.000 1.109 202 N CA 0.173 53.277 53.050 0.090 0.000 0.855 202 N CB 0.053 38.577 38.487 0.061 0.000 0.974 202 N HN 0.311 nan 8.380 nan 0.000 0.482 203 D N 0.501 121.001 120.400 0.165 0.000 2.417 203 D HA 0.087 4.743 4.640 0.026 0.000 0.250 203 D C 0.913 177.270 176.300 0.094 0.000 1.166 203 D CA -0.088 54.005 54.000 0.155 0.000 0.881 203 D CB 1.457 42.391 40.800 0.224 0.000 1.164 203 D HN 0.119 nan 8.370 nan 0.000 0.467 204 A N 3.684 126.543 122.820 0.064 0.000 1.972 204 A HA -0.115 4.221 4.320 0.026 0.000 0.219 204 A C 2.098 179.701 177.584 0.033 0.000 1.169 204 A CA 1.219 53.280 52.037 0.041 0.000 0.635 204 A CB -0.140 18.877 19.000 0.030 0.000 0.810 204 A HN 0.531 nan 8.150 nan 0.000 0.446 205 V N -0.415 119.519 119.914 0.033 0.000 2.426 205 V HA -0.128 4.008 4.120 0.026 0.000 0.242 205 V C 2.313 178.428 176.094 0.036 0.000 1.036 205 V CA 1.857 64.172 62.300 0.025 0.000 1.044 205 V CB -0.616 31.215 31.823 0.014 0.000 0.688 205 V HN 0.468 nan 8.190 nan 0.000 0.462 206 K N -0.156 120.279 120.400 0.058 0.000 2.001 206 K HA -0.097 4.239 4.320 0.026 0.000 0.208 206 K C 0.619 177.254 176.600 0.058 0.000 1.048 206 K CA 0.857 57.199 56.287 0.091 0.000 0.932 206 K CB -0.193 32.395 32.500 0.147 0.000 0.715 206 K HN 0.408 nan 8.250 nan 0.000 0.437 207 Q N 1.156 121.004 119.800 0.080 0.000 2.435 207 Q HA -0.188 4.167 4.340 0.026 0.000 0.312 207 Q C -1.178 174.842 176.000 0.033 0.000 1.333 207 Q CA 0.344 56.180 55.803 0.055 0.000 0.883 207 Q CB -1.535 27.213 28.738 0.017 0.000 1.170 207 Q HN 0.395 nan 8.270 nan 0.000 0.443 208 E N -0.265 119.982 120.200 0.077 0.000 2.502 208 E HA 0.168 4.533 4.350 0.026 0.000 0.261 208 E C 0.665 177.228 176.600 -0.062 0.000 0.974 208 E CA 0.694 57.079 56.400 -0.025 0.000 0.936 208 E CB 0.549 30.268 29.700 0.033 0.000 0.926 208 E HN 0.395 nan 8.360 nan 0.000 0.459 209 G N 2.291 110.978 108.800 -0.187 0.000 2.482 209 G HA2 0.550 4.526 3.960 0.026 0.000 0.317 209 G HA3 0.550 4.526 3.960 0.026 0.000 0.317 209 G C -1.289 173.367 174.900 -0.408 0.000 1.241 209 G CA -0.627 44.359 45.100 -0.190 0.000 0.967 209 G HN 0.313 nan 8.290 nan 0.000 0.482 210 F N 0.573 120.329 119.950 -0.323 0.000 2.482 210 F HA 0.588 5.130 4.527 0.025 0.000 0.331 210 F C -0.448 175.113 175.800 -0.397 0.000 1.115 210 F CA -0.519 57.339 58.000 -0.236 0.000 0.955 210 F CB 2.089 40.987 39.000 -0.170 0.000 1.136 210 F HN 0.338 nan 8.300 nan 0.000 0.452 211 Y N 0.469 120.765 120.300 -0.007 0.000 2.602 211 Y HA 0.784 5.349 4.550 0.025 0.000 0.342 211 Y C 0.696 176.563 175.900 -0.055 0.000 1.029 211 Y CA -0.447 57.639 58.100 -0.022 0.000 1.080 211 Y CB 2.176 40.607 38.460 -0.048 0.000 1.284 211 Y HN 0.786 nan 8.280 nan 0.000 0.485 212 G N 0.470 109.380 108.800 0.183 0.000 2.785 212 G HA2 0.228 4.204 3.960 0.026 0.000 0.218 212 G HA3 0.228 4.204 3.960 0.026 0.000 0.218 212 G C 0.274 175.274 174.900 0.167 0.000 1.251 212 G CA 0.035 45.230 45.100 0.159 0.000 1.129 212 G HN 1.849 nan 8.290 nan 0.000 0.573 213 A N -0.416 122.514 122.820 0.184 0.000 2.832 213 A HA 0.367 4.703 4.320 0.026 0.000 0.280 213 A C 2.177 179.876 177.584 0.192 0.000 1.464 213 A CA 1.749 53.888 52.037 0.170 0.000 0.804 213 A CB -1.756 17.296 19.000 0.088 0.000 1.020 213 A HN 3.175 nan 8.150 nan 0.000 0.563 214 G N -1.007 107.938 108.800 0.242 0.000 2.602 214 G HA2 -0.369 3.607 3.960 0.026 0.000 0.310 214 G HA3 -0.369 3.607 3.960 0.026 0.000 0.310 214 G C 0.484 175.460 174.900 0.126 0.000 1.183 214 G CA 0.925 46.158 45.100 0.222 0.000 0.979 214 G HN 1.215 nan 8.290 nan 0.000 0.545 215 E N 0.076 120.343 120.200 0.112 0.000 2.463 215 E HA 0.377 4.742 4.350 0.026 0.000 0.193 215 E C 0.714 177.319 176.600 0.009 0.000 1.041 215 E CA -0.156 56.265 56.400 0.035 0.000 0.879 215 E CB 0.704 30.412 29.700 0.014 0.000 0.997 215 E HN 0.310 nan 8.360 nan 0.000 0.478 216 V N 3.174 123.121 119.914 0.055 0.000 2.694 216 V HA -0.088 4.047 4.120 0.026 0.000 0.306 216 V C 0.335 176.476 176.094 0.078 0.000 1.054 216 V CA 0.325 62.659 62.300 0.057 0.000 1.161 216 V CB 0.266 32.142 31.823 0.089 0.000 0.916 216 V HN 0.266 nan 8.190 nan 0.000 0.490 217 N N 2.888 121.642 118.700 0.090 0.000 2.399 217 N HA 0.446 5.202 4.740 0.026 0.000 0.295 217 N C -0.872 174.806 175.510 0.280 0.000 1.048 217 N CA -0.279 52.882 53.050 0.186 0.000 0.886 217 N CB 1.841 40.417 38.487 0.149 0.000 1.185 217 N HN 0.694 nan 8.380 nan 0.000 0.487 218 C N 1.952 121.460 119.300 0.347 0.000 2.431 218 C HA 0.389 4.864 4.460 0.026 0.000 0.321 218 C C -0.194 174.867 174.990 0.118 0.000 1.202 218 C CA -0.829 58.355 59.018 0.278 0.000 1.398 218 C CB 0.329 28.191 27.740 0.204 0.000 2.047 218 C HN 0.705 nan 8.230 nan 0.000 0.465 219 K N 3.640 123.998 120.400 -0.070 0.000 2.156 219 K HA 0.500 4.836 4.320 0.026 0.000 0.271 219 K C -1.703 174.888 176.600 -0.014 0.000 0.995 219 K CA -0.382 55.658 56.287 -0.412 0.000 0.890 219 K CB 0.999 33.166 32.500 -0.555 0.000 1.073 219 K HN 0.739 nan 8.250 nan 0.000 0.454 220 Y N 5.111 125.331 120.300 -0.135 0.000 2.326 220 Y HA 0.133 4.698 4.550 0.025 0.000 0.329 220 Y C 0.031 175.924 175.900 -0.012 0.000 0.973 220 Y CA -0.096 57.985 58.100 -0.031 0.000 1.162 220 Y CB 0.624 39.082 38.460 -0.002 0.000 1.147 220 Y HN 0.991 nan 8.280 nan 0.000 0.456 221 Q N 2.026 121.519 119.800 -0.512 0.000 1.881 221 Q HA -0.334 4.022 4.340 0.026 0.000 0.372 221 Q C -0.172 175.745 176.000 -0.137 0.000 0.737 221 Q CA 1.983 57.564 55.803 -0.370 0.000 0.914 221 Q CB -0.948 27.488 28.738 -0.503 0.000 2.970 221 Q HN 0.771 nan 8.270 nan 0.000 0.753 222 D N 0.798 121.175 120.400 -0.038 0.000 2.349 222 D HA 0.140 4.796 4.640 0.026 0.000 0.214 222 D C -0.076 176.372 176.300 0.245 0.000 1.063 222 D CA 0.561 54.632 54.000 0.118 0.000 0.847 222 D CB 0.462 41.356 40.800 0.157 0.000 0.933 222 D HN 0.159 nan 8.370 nan 0.000 0.513 223 T N 0.322 114.958 114.554 0.137 0.000 2.829 223 T HA 0.307 4.673 4.350 0.026 0.000 0.280 223 T C -0.439 174.248 174.700 -0.021 0.000 0.999 223 T CA -0.506 61.712 62.100 0.198 0.000 0.983 223 T CB 1.396 70.455 68.868 0.318 0.000 0.968 223 T HN -0.143 nan 8.240 nan 0.000 0.446 224 Y N 2.986 123.330 120.300 0.074 0.000 2.316 224 Y HA 0.516 5.080 4.550 0.024 0.000 0.331 224 Y C 0.787 176.744 175.900 0.095 0.000 1.083 224 Y CA -0.764 57.380 58.100 0.072 0.000 1.206 224 Y CB 0.383 38.849 38.460 0.011 0.000 1.195 224 Y HN 0.520 nan 8.280 nan 0.000 0.497 225 I N 0.409 121.104 120.570 0.208 0.000 3.170 225 I HA 0.447 4.633 4.170 0.026 0.000 0.312 225 I C -0.094 176.113 176.117 0.150 0.000 1.085 225 I CA -1.032 60.364 61.300 0.159 0.000 0.999 225 I CB 1.700 39.765 38.000 0.109 0.000 1.233 225 I HN 0.549 nan 8.210 nan 0.000 0.467 226 L N 1.298 122.598 121.223 0.128 0.000 2.189 226 L HA 0.338 4.694 4.340 0.026 0.000 0.199 226 L C 1.191 178.111 176.870 0.083 0.000 1.074 226 L CA 1.121 56.047 54.840 0.142 0.000 0.783 226 L CB -0.192 41.983 42.059 0.195 0.000 0.955 226 L HN 0.809 nan 8.230 nan 0.000 0.460 227 E N 0.249 120.437 120.200 -0.020 0.000 2.418 227 E HA 0.002 4.367 4.350 0.026 0.000 0.261 227 E C -0.322 176.177 176.600 -0.168 0.000 1.070 227 E CA -0.128 56.115 56.400 -0.261 0.000 0.931 227 E CB 0.443 29.925 29.700 -0.363 0.000 0.954 227 E HN 0.145 nan 8.360 nan 0.000 0.439 228 R N 2.860 123.237 120.500 -0.205 0.000 2.881 228 R HA 0.208 4.564 4.340 0.026 0.000 0.331 228 R C -0.967 175.249 176.300 -0.141 0.000 1.207 228 R CA -0.215 55.813 56.100 -0.120 0.000 1.265 228 R CB 0.778 31.047 30.300 -0.051 0.000 1.351 228 R HN 0.377 nan 8.270 nan 0.000 0.613 229 T N -0.710 113.753 114.554 -0.152 0.000 2.867 229 T HA 0.418 4.784 4.350 0.026 0.000 0.282 229 T C 0.915 175.492 174.700 -0.206 0.000 1.000 229 T CA 0.241 62.271 62.100 -0.117 0.000 1.042 229 T CB 1.768 70.627 68.868 -0.015 0.000 0.973 229 T HN 0.583 nan 8.240 nan 0.000 0.465 230 G N 2.424 111.071 108.800 -0.255 0.000 2.198 230 G HA2 -0.195 3.781 3.960 0.026 0.000 0.257 230 G HA3 -0.195 3.781 3.960 0.026 0.000 0.257 230 G C 0.038 174.752 174.900 -0.309 0.000 1.042 230 G CA 0.530 45.489 45.100 -0.235 0.000 0.791 230 G HN 1.012 nan 8.290 nan 0.000 0.502 231 I N -3.728 116.615 120.570 -0.379 0.000 2.865 231 I HA 0.886 5.072 4.170 0.026 0.000 0.302 231 I C -0.099 175.880 176.117 -0.230 0.000 1.140 231 I CA -1.384 59.597 61.300 -0.532 0.000 1.021 231 I CB 2.329 39.775 38.000 -0.922 0.000 1.233 231 I HN 0.497 nan 8.210 nan 0.000 0.427 232 A N 6.375 129.248 122.820 0.089 0.000 2.256 232 A HA 0.818 5.154 4.320 0.026 0.000 0.317 232 A C -0.438 177.365 177.584 0.365 0.000 1.318 232 A CA -0.556 51.624 52.037 0.238 0.000 0.894 232 A CB 0.557 19.793 19.000 0.394 0.000 1.165 232 A HN 0.802 nan 8.150 nan 0.000 0.525 233 M N 1.147 120.847 119.600 0.167 0.000 2.724 233 M HA 0.627 5.123 4.480 0.026 0.000 0.310 233 M C -0.011 176.323 176.300 0.057 0.000 1.217 233 M CA -0.434 54.952 55.300 0.144 0.000 0.894 233 M CB 2.553 35.199 32.600 0.077 0.000 1.719 233 M HN 0.605 nan 8.290 nan 0.000 0.479 234 T N 0.454 114.999 114.554 -0.014 0.000 2.916 234 T HA 0.451 4.817 4.350 0.026 0.000 0.305 234 T C -1.590 173.037 174.700 -0.122 0.000 1.119 234 T CA -0.903 61.084 62.100 -0.188 0.000 1.008 234 T CB 1.080 69.757 68.868 -0.318 0.000 1.129 234 T HN 0.678 nan 8.240 nan 0.000 0.480 235 N N 3.342 121.938 118.700 -0.172 0.000 2.444 235 N HA 0.370 5.126 4.740 0.026 0.000 0.262 235 N C -1.716 173.795 175.510 0.001 0.000 0.974 235 N CA -0.247 52.772 53.050 -0.050 0.000 0.933 235 N CB 1.396 39.869 38.487 -0.022 0.000 1.137 235 N HN 0.669 nan 8.380 nan 0.000 0.498 236 Y N 2.327 122.561 120.300 -0.110 0.000 2.472 236 Y HA 0.163 4.729 4.550 0.026 0.000 0.324 236 Y C -1.010 174.880 175.900 -0.016 0.000 1.160 236 Y CA -0.814 57.235 58.100 -0.084 0.000 1.381 236 Y CB 0.087 38.496 38.460 -0.086 0.000 1.125 236 Y HN 0.326 nan 8.280 nan 0.000 0.541 237 N N 3.783 122.410 118.700 -0.122 0.000 2.359 237 N HA 0.001 4.757 4.740 0.026 0.000 0.261 237 N C -1.239 174.220 175.510 -0.085 0.000 1.267 237 N CA 0.999 54.008 53.050 -0.069 0.000 0.864 237 N CB 0.178 38.629 38.487 -0.062 0.000 1.063 237 N HN 0.617 nan 8.380 nan 0.000 0.474 238 Y N 0.060 120.235 120.300 -0.209 0.000 2.524 238 Y HA 0.115 4.681 4.550 0.026 0.000 0.347 238 Y C -0.190 175.579 175.900 -0.218 0.000 1.005 238 Y CA -1.186 56.794 58.100 -0.201 0.000 1.025 238 Y CB 1.474 39.838 38.460 -0.160 0.000 1.275 238 Y HN 0.367 nan 8.280 nan 0.000 0.460 239 D N 2.820 123.035 120.400 -0.309 0.000 2.662 239 D HA -0.038 4.617 4.640 0.026 0.000 0.228 239 D C -0.473 175.888 176.300 0.101 0.000 1.093 239 D CA 0.419 54.389 54.000 -0.051 0.000 1.075 239 D CB -0.692 40.039 40.800 -0.115 0.000 1.122 239 D HN 0.374 nan 8.370 nan 0.000 0.475 240 N N 2.778 121.430 118.700 -0.079 0.000 3.298 240 N HA 0.069 4.824 4.740 0.026 0.000 0.292 240 N C -0.390 175.288 175.510 0.281 0.000 1.271 240 N CA -0.443 52.649 53.050 0.070 0.000 1.184 240 N CB -0.328 38.081 38.487 -0.131 0.000 1.452 240 N HN 0.423 nan 8.380 nan 0.000 0.534 241 L N 2.060 123.487 121.223 0.340 0.000 2.559 241 L HA -0.007 4.349 4.340 0.026 0.000 0.274 241 L C 0.643 177.696 176.870 0.303 0.000 1.205 241 L CA 0.712 55.769 54.840 0.362 0.000 0.907 241 L CB -0.087 42.155 42.059 0.304 0.000 1.153 241 L HN 0.697 nan 8.230 nan 0.000 0.490 242 N N 2.629 121.456 118.700 0.212 0.000 2.936 242 N HA -0.293 4.462 4.740 0.026 0.000 0.236 242 N C -0.520 175.130 175.510 0.234 0.000 0.930 242 N CA 0.818 53.912 53.050 0.073 0.000 0.966 242 N CB -0.632 37.948 38.487 0.155 0.000 1.090 242 N HN 0.785 nan 8.380 nan 0.000 0.592 243 Y N -2.497 117.974 120.300 0.284 0.000 4.841 243 Y HA -0.231 4.335 4.550 0.026 0.000 0.242 243 Y C 0.514 176.502 175.900 0.147 0.000 1.002 243 Y CA 1.199 59.419 58.100 0.199 0.000 2.011 243 Y CB -2.674 35.923 38.460 0.229 0.000 1.554 243 Y HN 0.660 nan 8.280 nan 0.000 0.618 244 N N -1.635 117.254 118.700 0.316 0.000 2.598 244 N HA 0.108 4.864 4.740 0.026 0.000 0.295 244 N C -0.515 175.154 175.510 0.265 0.000 1.729 244 N CA -0.316 52.884 53.050 0.250 0.000 0.877 244 N CB 0.248 38.892 38.487 0.261 0.000 1.405 244 N HN 0.022 nan 8.380 nan 0.000 0.491 245 Q N 0.321 120.272 119.800 0.253 0.000 2.283 245 Q HA -0.101 4.255 4.340 0.026 0.000 0.301 245 Q C 0.825 177.017 176.000 0.320 0.000 1.063 245 Q CA 0.081 56.064 55.803 0.299 0.000 0.952 245 Q CB 0.979 29.914 28.738 0.328 0.000 1.166 245 Q HN 0.580 nan 8.270 nan 0.000 0.381 246 W N 4.305 125.697 121.300 0.153 0.000 2.338 246 W HA -0.211 4.464 4.660 0.026 0.000 0.304 246 W C 0.825 177.417 176.519 0.122 0.000 1.212 246 W CA 1.676 59.098 57.345 0.129 0.000 1.264 246 W CB 0.265 29.802 29.460 0.128 0.000 1.142 246 W HN 0.737 nan 8.180 nan 0.000 0.512 247 D N 0.643 121.153 120.400 0.184 0.000 2.351 247 D HA -0.204 4.452 4.640 0.026 0.000 0.216 247 D C 1.762 178.134 176.300 0.119 0.000 0.968 247 D CA 1.054 55.107 54.000 0.088 0.000 0.899 247 D CB -1.141 39.807 40.800 0.246 0.000 0.907 247 D HN 0.291 nan 8.370 nan 0.000 0.514 248 L N 0.150 121.406 121.223 0.056 0.000 2.611 248 L HA 0.149 4.505 4.340 0.026 0.000 0.229 248 L C 1.133 178.071 176.870 0.114 0.000 1.137 248 L CA -0.485 54.386 54.840 0.051 0.000 0.901 248 L CB -0.253 41.739 42.059 -0.112 0.000 1.098 248 L HN -0.012 nan 8.230 nan 0.000 0.456 249 R N 0.782 121.208 120.500 -0.124 0.000 2.643 249 R HA 0.272 4.628 4.340 0.026 0.000 0.270 249 R C -2.516 173.497 176.300 -0.477 0.000 1.061 249 R CA -1.556 54.355 56.100 -0.316 0.000 1.107 249 R CB -0.636 29.272 30.300 -0.653 0.000 0.999 249 R HN -0.175 nan 8.270 nan 0.000 0.460 250 P HA 0.127 nan 4.420 nan 0.000 0.270 250 P C -2.442 174.311 177.300 -0.911 0.000 1.223 250 P CA -1.286 60.969 63.100 -1.409 0.000 0.785 250 P CB -0.089 31.130 31.700 -0.803 0.000 0.923 251 P HA -0.055 nan 4.420 nan 0.000 0.261 251 P C -0.381 176.721 177.300 -0.330 0.000 1.183 251 P CA 0.833 63.536 63.100 -0.660 0.000 0.761 251 P CB -0.442 30.903 31.700 -0.592 0.000 0.785 252 H N -1.837 117.123 119.070 -0.183 0.000 3.047 252 H HA -0.254 4.318 4.556 0.026 0.000 0.263 252 H C 0.403 175.695 175.328 -0.060 0.000 1.168 252 H CA 0.412 56.404 56.048 -0.093 0.000 1.152 252 H CB -2.415 27.308 29.762 -0.064 0.000 1.278 252 H HN 0.629 nan 8.280 nan 0.000 0.339 253 H N 1.251 120.252 119.070 -0.115 0.000 3.070 253 H HA 0.222 4.793 4.556 0.026 0.000 0.313 253 H C -0.028 175.325 175.328 0.043 0.000 0.997 253 H CA 0.427 56.432 56.048 -0.070 0.000 1.438 253 H CB 0.500 30.159 29.762 -0.171 0.000 1.455 253 H HN 0.295 nan 8.280 nan 0.000 0.575 254 D N 2.936 123.115 120.400 -0.368 0.000 2.248 254 D HA 0.518 5.173 4.640 0.026 0.000 0.246 254 D C 0.129 176.314 176.300 -0.193 0.000 1.027 254 D CA 0.914 54.838 54.000 -0.127 0.000 0.853 254 D CB 1.494 42.266 40.800 -0.048 0.000 1.243 254 D HN 0.971 nan 8.370 nan 0.000 0.462 255 G N 0.919 109.786 108.800 0.112 0.000 2.725 255 G HA2 0.173 4.149 3.960 0.026 0.000 0.220 255 G HA3 0.173 4.149 3.960 0.026 0.000 0.220 255 G C -0.039 175.084 174.900 0.372 0.000 1.357 255 G CA -0.541 44.651 45.100 0.154 0.000 0.866 255 G HN 0.815 nan 8.290 nan 0.000 0.548 256 A N -0.854 122.151 122.820 0.307 0.000 2.540 256 A HA 0.497 4.833 4.320 0.026 0.000 0.239 256 A C 0.415 178.361 177.584 0.603 0.000 1.061 256 A CA 0.910 53.170 52.037 0.372 0.000 0.758 256 A CB 0.674 19.818 19.000 0.239 0.000 0.991 256 A HN 2.135 nan 8.150 nan 0.000 0.502 257 L N 3.410 124.975 121.223 0.569 0.000 2.255 257 L HA 0.369 4.724 4.340 0.026 0.000 0.289 257 L C -0.494 176.553 176.870 0.295 0.000 1.046 257 L CA -0.289 54.770 54.840 0.366 0.000 0.816 257 L CB 0.463 42.702 42.059 0.299 0.000 1.197 257 L HN 0.664 nan 8.230 nan 0.000 0.427 258 N N 5.836 124.694 118.700 0.263 0.000 2.509 258 N HA 0.426 5.182 4.740 0.026 0.000 0.287 258 N C -2.557 173.068 175.510 0.192 0.000 1.121 258 N CA -1.802 51.394 53.050 0.242 0.000 0.977 258 N CB 0.771 39.411 38.487 0.255 0.000 1.167 258 N HN 0.383 nan 8.380 nan 0.000 0.476 259 P HA 0.061 nan 4.420 nan 0.000 0.262 259 P C -0.511 176.904 177.300 0.192 0.000 1.182 259 P CA 0.751 63.962 63.100 0.185 0.000 0.761 259 P CB 0.528 32.313 31.700 0.142 0.000 0.795 260 D N 0.810 121.177 120.400 -0.056 0.000 2.713 260 D HA 0.067 4.723 4.640 0.026 0.000 0.306 260 D C 0.377 176.468 176.300 -0.348 0.000 1.299 260 D CA -0.427 53.459 54.000 -0.190 0.000 0.823 260 D CB 0.308 40.852 40.800 -0.427 0.000 1.353 260 D HN 0.279 nan 8.370 nan 0.000 0.447 261 Y N 0.121 120.311 120.300 -0.182 0.000 2.439 261 Y HA -0.015 4.550 4.550 0.025 0.000 0.292 261 Y C 1.385 177.303 175.900 0.029 0.000 1.130 261 Y CA 0.980 59.071 58.100 -0.014 0.000 1.254 261 Y CB -0.922 37.594 38.460 0.094 0.000 1.000 261 Y HN 0.347 nan 8.280 nan 0.000 0.554 262 Y N -0.005 120.214 120.300 -0.135 0.000 2.470 262 Y HA 0.499 5.065 4.550 0.027 0.000 0.284 262 Y C -0.305 175.631 175.900 0.059 0.000 1.188 262 Y CA -1.721 56.395 58.100 0.027 0.000 1.269 262 Y CB -0.770 37.726 38.460 0.060 0.000 1.094 262 Y HN 0.011 nan 8.280 nan 0.000 0.518 263 I N 4.581 125.095 120.570 -0.093 0.000 2.378 263 I HA 0.342 4.528 4.170 0.026 0.000 0.291 263 I C -2.313 173.784 176.117 -0.033 0.000 0.992 263 I CA -2.562 58.716 61.300 -0.036 0.000 1.154 263 I CB 1.901 39.840 38.000 -0.102 0.000 1.315 263 I HN -0.112 nan 8.210 nan 0.000 0.448 264 P HA 0.212 nan 4.420 nan 0.000 0.272 264 P C -0.683 176.573 177.300 -0.074 0.000 1.230 264 P CA -0.226 62.852 63.100 -0.037 0.000 0.788 264 P CB 1.243 32.934 31.700 -0.015 0.000 0.949 265 M N 0.731 120.294 119.600 -0.063 0.000 2.357 265 M HA 0.234 4.729 4.480 0.026 0.000 0.232 265 M C 1.267 177.489 176.300 -0.130 0.000 0.819 265 M CA -0.190 55.017 55.300 -0.154 0.000 1.630 265 M CB -0.423 32.122 32.600 -0.093 0.000 1.242 265 M HN 0.259 nan 8.290 nan 0.000 0.838 266 Y N -1.558 118.758 120.300 0.027 0.000 2.509 266 Y HA 0.136 4.701 4.550 0.026 0.000 0.270 266 Y C 0.141 176.101 175.900 0.099 0.000 1.103 266 Y CA 0.112 58.230 58.100 0.029 0.000 1.278 266 Y CB 0.334 38.762 38.460 -0.052 0.000 1.087 266 Y HN 0.321 nan 8.280 nan 0.000 0.542 267 Y N 0.726 121.098 120.300 0.121 0.000 2.393 267 Y HA 0.698 5.264 4.550 0.028 0.000 0.341 267 Y C -0.480 175.484 175.900 0.107 0.000 0.988 267 Y CA -2.124 56.035 58.100 0.098 0.000 1.078 267 Y CB 1.044 39.542 38.460 0.064 0.000 1.203 267 Y HN -0.108 nan 8.280 nan 0.000 0.453 268 A N 4.358 127.090 122.820 -0.147 0.000 2.269 268 A HA 0.729 5.065 4.320 0.026 0.000 0.302 268 A C -0.621 176.941 177.584 -0.037 0.000 1.266 268 A CA 0.024 52.069 52.037 0.013 0.000 0.894 268 A CB -0.452 18.632 19.000 0.140 0.000 1.147 268 A HN 1.067 nan 8.150 nan 0.000 0.537 269 A N 4.911 127.796 122.820 0.109 0.000 3.082 269 A HA 0.637 4.973 4.320 0.026 0.000 0.328 269 A C -2.738 174.996 177.584 0.250 0.000 1.089 269 A CA -1.217 50.923 52.037 0.172 0.000 0.802 269 A CB 0.551 19.739 19.000 0.313 0.000 1.138 269 A HN 0.509 nan 8.150 nan 0.000 0.474 270 P HA 0.068 nan 4.420 nan 0.000 0.241 270 P C -0.640 176.897 177.300 0.395 0.000 1.760 270 P CA 0.493 63.731 63.100 0.231 0.000 1.081 270 P CB -0.633 31.169 31.700 0.170 0.000 1.975 271 W N 4.896 126.244 121.300 0.080 0.000 3.211 271 W HA 0.475 5.150 4.660 0.025 0.000 0.335 271 W C -2.560 173.984 176.519 0.041 0.000 1.113 271 W CA -0.857 56.527 57.345 0.066 0.000 1.235 271 W CB 1.546 31.040 29.460 0.057 0.000 1.365 271 W HN -0.117 nan 8.180 nan 0.000 0.476 272 L N 6.835 127.699 121.223 -0.598 0.000 2.422 272 L HA 0.546 4.902 4.340 0.026 0.000 0.264 272 L C -0.371 176.030 176.870 -0.782 0.000 0.984 272 L CA -1.069 53.479 54.840 -0.487 0.000 0.819 272 L CB 2.722 44.727 42.059 -0.091 0.000 1.330 272 L HN 0.301 nan 8.230 nan 0.000 0.410 273 I N 2.984 123.229 120.570 -0.541 0.000 2.362 273 I HA 0.356 4.541 4.170 0.026 0.000 0.289 273 I C -0.442 175.498 176.117 -0.294 0.000 0.994 273 I CA -0.834 60.201 61.300 -0.442 0.000 1.158 273 I CB 1.913 39.737 38.000 -0.294 0.000 1.315 273 I HN 0.170 nan 8.210 nan 0.000 0.451 274 V N 5.506 125.105 119.914 -0.525 0.000 2.407 274 V HA 0.315 4.451 4.120 0.026 0.000 0.278 274 V C -0.149 175.671 176.094 -0.458 0.000 1.037 274 V CA -0.486 61.401 62.300 -0.689 0.000 0.900 274 V CB 1.427 32.598 31.823 -1.085 0.000 0.983 274 V HN 0.679 nan 8.190 nan 0.000 0.459 275 N N 3.127 121.620 118.700 -0.345 0.000 2.448 275 N HA 0.669 5.425 4.740 0.026 0.000 0.279 275 N C -0.244 175.023 175.510 -0.404 0.000 1.025 275 N CA -0.054 52.811 53.050 -0.308 0.000 0.898 275 N CB 1.882 40.280 38.487 -0.148 0.000 1.303 275 N HN 0.841 nan 8.380 nan 0.000 0.495 276 G N 0.663 108.976 108.800 -0.811 0.000 2.537 276 G HA2 0.429 4.405 3.960 0.026 0.000 0.308 276 G HA3 0.429 4.405 3.960 0.026 0.000 0.308 276 G C -0.043 174.469 174.900 -0.647 0.000 1.237 276 G CA -0.559 44.070 45.100 -0.785 0.000 0.968 276 G HN 0.806 nan 8.290 nan 0.000 0.481 277 C N -0.389 118.769 119.300 -0.236 0.000 4.165 277 C HA -0.083 4.393 4.460 0.026 0.000 0.299 277 C C 1.648 176.579 174.990 -0.099 0.000 1.445 277 C CA -0.392 58.574 59.018 -0.087 0.000 2.029 277 C CB -2.846 24.914 27.740 0.033 0.000 1.288 277 C HN 1.386 nan 8.230 nan 0.000 0.752 278 A N -0.154 122.597 122.820 -0.116 0.000 2.561 278 A HA 0.416 4.752 4.320 0.026 0.000 0.234 278 A C 1.642 179.197 177.584 -0.049 0.000 1.055 278 A CA 1.372 53.356 52.037 -0.088 0.000 0.756 278 A CB -0.166 18.793 19.000 -0.067 0.000 0.986 278 A HN 2.456 nan 8.150 nan 0.000 0.505 279 G N 1.150 109.928 108.800 -0.037 0.000 2.212 279 G HA2 -0.206 3.770 3.960 0.026 0.000 0.266 279 G HA3 -0.206 3.770 3.960 0.026 0.000 0.266 279 G C 0.689 175.584 174.900 -0.008 0.000 0.978 279 G CA 1.495 46.588 45.100 -0.012 0.000 0.632 279 G HN 2.277 nan 8.290 nan 0.000 0.537 280 T N -1.937 112.608 114.554 -0.014 0.000 2.936 280 T HA 0.665 5.030 4.350 0.026 0.000 0.282 280 T C 1.720 176.421 174.700 0.000 0.000 1.003 280 T CA 0.855 62.953 62.100 -0.004 0.000 1.005 280 T CB 1.579 70.448 68.868 0.002 0.000 1.097 280 T HN 1.120 nan 8.240 nan 0.000 0.532 281 S N -0.329 115.374 115.700 0.005 0.000 2.481 281 S HA -0.086 4.399 4.470 0.026 0.000 0.231 281 S C 1.279 175.894 174.600 0.026 0.000 0.996 281 S CA 0.778 58.983 58.200 0.008 0.000 0.942 281 S CB -0.735 62.468 63.200 0.004 0.000 0.768 281 S HN 0.927 nan 8.310 nan 0.000 0.520 282 E N 0.813 121.036 120.200 0.039 0.000 2.444 282 E HA 0.146 4.512 4.350 0.026 0.000 0.191 282 E C 0.515 177.197 176.600 0.136 0.000 1.041 282 E CA -0.552 55.894 56.400 0.077 0.000 0.883 282 E CB -0.232 29.508 29.700 0.067 0.000 1.024 282 E HN 0.666 nan 8.360 nan 0.000 0.470 283 Q N 1.320 121.160 119.800 0.067 0.000 2.326 283 Q HA -0.058 4.298 4.340 0.026 0.000 0.314 283 Q C -1.119 174.955 176.000 0.123 0.000 1.091 283 Q CA 0.328 56.136 55.803 0.009 0.000 0.974 283 Q CB 0.278 28.985 28.738 -0.052 0.000 1.220 283 Q HN 0.402 nan 8.270 nan 0.000 0.398 284 Y N -0.453 119.879 120.300 0.054 0.000 2.553 284 Y HA 0.770 5.336 4.550 0.027 0.000 0.347 284 Y C -1.231 174.719 175.900 0.082 0.000 1.019 284 Y CA -1.134 57.045 58.100 0.132 0.000 1.032 284 Y CB 1.686 40.276 38.460 0.217 0.000 1.284 284 Y HN 0.421 nan 8.280 nan 0.000 0.466 285 S N 1.773 117.574 115.700 0.169 0.000 2.548 285 S HA 0.642 5.128 4.470 0.026 0.000 0.276 285 S C -1.871 172.842 174.600 0.188 0.000 1.129 285 S CA -0.916 57.291 58.200 0.012 0.000 0.931 285 S CB 1.359 64.479 63.200 -0.133 0.000 1.068 285 S HN 0.848 nan 8.310 nan 0.000 0.480 286 Y N -1.003 119.358 120.300 0.102 0.000 2.544 286 Y HA 0.864 5.430 4.550 0.027 0.000 0.342 286 Y C -0.179 175.747 175.900 0.044 0.000 1.062 286 Y CA -1.221 56.971 58.100 0.154 0.000 1.023 286 Y CB 0.631 39.273 38.460 0.303 0.000 1.308 286 Y HN 0.735 nan 8.280 nan 0.000 0.457 287 G N 1.230 110.129 108.800 0.165 0.000 2.412 287 G HA2 0.415 4.391 3.960 0.026 0.000 0.318 287 G HA3 0.415 4.391 3.960 0.026 0.000 0.318 287 G C -2.277 172.712 174.900 0.147 0.000 1.146 287 G CA -0.603 44.355 45.100 -0.237 0.000 0.882 287 G HN 0.761 nan 8.290 nan 0.000 0.501 288 W N 3.355 124.459 121.300 -0.326 0.000 2.687 288 W HA 0.593 5.268 4.660 0.026 0.000 0.328 288 W C -2.444 174.148 176.519 0.120 0.000 1.012 288 W CA -2.535 54.810 57.345 0.000 0.000 1.262 288 W CB 1.362 30.899 29.460 0.130 0.000 1.331 288 W HN 0.243 nan 8.180 nan 0.000 0.433 289 F N 8.176 128.356 119.950 0.384 0.000 2.427 289 F HA 0.504 5.047 4.527 0.027 0.000 0.348 289 F C -0.671 175.246 175.800 0.195 0.000 1.125 289 F CA -1.655 56.538 58.000 0.322 0.000 0.989 289 F CB 1.338 40.475 39.000 0.229 0.000 1.165 289 F HN 0.240 nan 8.300 nan 0.000 0.442 290 M N 6.323 125.824 119.600 -0.165 0.000 2.069 290 M HA 0.240 4.736 4.480 0.026 0.000 0.349 290 M C -0.891 174.980 176.300 -0.716 0.000 1.194 290 M CA -0.405 54.655 55.300 -0.400 0.000 1.081 290 M CB 0.195 32.639 32.600 -0.260 0.000 1.500 290 M HN 0.559 nan 8.290 nan 0.000 0.438 291 D N 4.957 124.783 120.400 -0.956 0.000 2.470 291 D HA 0.182 4.838 4.640 0.026 0.000 0.226 291 D C -1.358 174.779 176.300 -0.273 0.000 1.196 291 D CA 0.438 53.934 54.000 -0.839 0.000 0.979 291 D CB 0.212 40.669 40.800 -0.573 0.000 1.059 291 D HN 0.636 nan 8.370 nan 0.000 0.515 292 N N 2.812 121.429 118.700 -0.138 0.000 2.287 292 N HA 0.115 4.871 4.740 0.026 0.000 0.289 292 N C 0.150 175.530 175.510 -0.216 0.000 1.066 292 N CA -0.492 52.468 53.050 -0.150 0.000 0.841 292 N CB 2.112 40.520 38.487 -0.132 0.000 1.599 292 N HN 0.060 nan 8.380 nan 0.000 0.476 293 V N 0.291 120.006 119.914 -0.331 0.000 3.483 293 V HA 0.291 4.426 4.120 0.026 0.000 0.301 293 V C 1.000 176.935 176.094 -0.265 0.000 1.389 293 V CA -0.016 61.998 62.300 -0.477 0.000 1.101 293 V CB -0.430 31.004 31.823 -0.647 0.000 0.971 293 V HN 0.560 nan 8.190 nan 0.000 0.434 294 S N 0.104 115.720 115.700 -0.141 0.000 2.655 294 S HA 0.314 4.800 4.470 0.026 0.000 0.265 294 S C 0.214 174.787 174.600 -0.045 0.000 1.240 294 S CA -0.254 57.921 58.200 -0.042 0.000 0.986 294 S CB 0.772 64.039 63.200 0.110 0.000 0.985 294 S HN 0.663 nan 8.310 nan 0.000 0.562 295 Q N 0.963 120.777 119.800 0.024 0.000 2.269 295 Q HA 0.180 4.536 4.340 0.026 0.000 0.300 295 Q C -0.172 175.640 176.000 -0.313 0.000 1.070 295 Q CA 0.099 55.861 55.803 -0.069 0.000 0.957 295 Q CB 0.097 28.832 28.738 -0.005 0.000 1.131 295 Q HN 0.816 nan 8.270 nan 0.000 0.377 296 S N 3.349 118.791 115.700 -0.431 0.000 2.715 296 S HA 0.718 5.203 4.470 0.026 0.000 0.307 296 S C -1.327 172.814 174.600 -0.765 0.000 1.119 296 S CA -0.745 57.180 58.200 -0.458 0.000 0.937 296 S CB 1.034 64.131 63.200 -0.171 0.000 1.150 296 S HN 0.565 nan 8.310 nan 0.000 0.521 297 Y N -0.705 119.448 120.300 -0.245 0.000 2.534 297 Y HA 0.662 5.228 4.550 0.026 0.000 0.345 297 Y C -0.496 175.319 175.900 -0.141 0.000 1.031 297 Y CA -0.997 56.969 58.100 -0.222 0.000 1.022 297 Y CB 2.301 40.535 38.460 -0.376 0.000 1.292 297 Y HN 0.607 nan 8.280 nan 0.000 0.459 298 M N 3.303 122.889 119.600 -0.024 0.000 2.183 298 M HA 0.317 4.813 4.480 0.026 0.000 0.277 298 M C -1.334 174.796 176.300 -0.283 0.000 0.995 298 M CA -0.422 54.761 55.300 -0.196 0.000 0.969 298 M CB 1.780 34.264 32.600 -0.193 0.000 1.659 298 M HN 0.523 nan 8.290 nan 0.000 0.462 299 N N 1.874 120.233 118.700 -0.569 0.000 2.442 299 N HA 0.388 5.144 4.740 0.026 0.000 0.274 299 N C -0.478 174.662 175.510 -0.617 0.000 1.002 299 N CA -0.130 52.536 53.050 -0.640 0.000 0.910 299 N CB 1.776 39.557 38.487 -1.176 0.000 1.244 299 N HN 0.765 nan 8.380 nan 0.000 0.492 300 T N -0.226 114.004 114.554 -0.540 0.000 3.258 300 T HA 0.399 4.765 4.350 0.026 0.000 0.263 300 T C 0.846 175.211 174.700 -0.558 0.000 0.983 300 T CA -0.040 61.592 62.100 -0.781 0.000 0.907 300 T CB -0.208 68.069 68.868 -0.985 0.000 1.096 300 T HN 0.645 nan 8.240 nan 0.000 0.556 301 G N 1.039 109.627 108.800 -0.355 0.000 2.237 301 G HA2 -0.113 3.863 3.960 0.026 0.000 0.153 301 G HA3 -0.113 3.863 3.960 0.026 0.000 0.153 301 G C -0.643 174.172 174.900 -0.142 0.000 1.039 301 G CA -0.513 44.467 45.100 -0.201 0.000 0.719 301 G HN 0.592 nan 8.290 nan 0.000 0.491 302 D N 0.811 121.133 120.400 -0.130 0.000 2.274 302 D HA 0.538 5.194 4.640 0.026 0.000 0.239 302 D C 1.812 178.111 176.300 -0.000 0.000 1.104 302 D CA 0.377 54.337 54.000 -0.067 0.000 0.840 302 D CB 1.139 41.922 40.800 -0.028 0.000 1.100 302 D HN 0.204 nan 8.370 nan 0.000 0.477 303 T N -0.240 114.304 114.554 -0.016 0.000 3.129 303 T HA 0.037 4.402 4.350 0.026 0.000 0.251 303 T C 0.827 175.515 174.700 -0.020 0.000 1.117 303 T CA -0.127 61.971 62.100 -0.004 0.000 1.034 303 T CB -0.355 68.499 68.868 -0.023 0.000 0.968 303 T HN 0.269 nan 8.240 nan 0.000 0.526 304 T N 2.816 117.329 114.554 -0.069 0.000 2.928 304 T HA 0.013 4.378 4.350 0.026 0.000 0.305 304 T C 0.184 174.842 174.700 -0.070 0.000 1.035 304 T CA -0.015 61.897 62.100 -0.312 0.000 1.145 304 T CB -0.199 68.286 68.868 -0.638 0.000 0.963 304 T HN 0.582 nan 8.240 nan 0.000 0.545 305 W N 1.576 122.923 121.300 0.079 0.000 3.904 305 W HA -0.296 4.380 4.660 0.025 0.000 0.312 305 W C 0.696 177.255 176.519 0.066 0.000 1.159 305 W CA 0.282 57.679 57.345 0.086 0.000 0.704 305 W CB -2.609 26.946 29.460 0.158 0.000 2.209 305 W HN 0.976 nan 8.180 nan 0.000 1.468 306 N N -0.598 118.206 118.700 0.172 0.000 2.721 306 N HA -0.231 4.525 4.740 0.026 0.000 0.249 306 N C 1.168 176.767 175.510 0.148 0.000 1.072 306 N CA 1.628 54.749 53.050 0.119 0.000 0.710 306 N CB -1.045 37.491 38.487 0.083 0.000 0.993 306 N HN 0.509 nan 8.380 nan 0.000 0.547 307 S N -2.026 113.814 115.700 0.232 0.000 2.461 307 S HA 0.227 4.713 4.470 0.026 0.000 0.228 307 S C 1.055 175.798 174.600 0.238 0.000 1.005 307 S CA 0.926 59.275 58.200 0.248 0.000 0.942 307 S CB 0.782 64.201 63.200 0.365 0.000 0.776 307 S HN 0.582 nan 8.310 nan 0.000 0.514 308 G N -0.653 108.246 108.800 0.165 0.000 2.749 308 G HA2 0.624 4.600 3.960 0.026 0.000 0.300 308 G HA3 0.624 4.600 3.960 0.026 0.000 0.300 308 G C -2.093 172.844 174.900 0.062 0.000 1.352 308 G CA -0.912 44.278 45.100 0.151 0.000 0.789 308 G HN 0.261 nan 8.290 nan 0.000 0.509 309 Q N -0.685 119.137 119.800 0.037 0.000 2.397 309 Q HA 0.311 4.667 4.340 0.026 0.000 0.275 309 Q C 0.334 176.323 176.000 -0.019 0.000 1.090 309 Q CA -0.710 55.096 55.803 0.006 0.000 0.809 309 Q CB 3.140 31.881 28.738 0.005 0.000 1.362 309 Q HN 0.681 nan 8.270 nan 0.000 0.431 310 E N 0.842 121.027 120.200 -0.025 0.000 2.118 310 E HA -0.199 4.167 4.350 0.026 0.000 0.195 310 E C 0.029 176.610 176.600 -0.033 0.000 0.992 310 E CA 1.145 57.524 56.400 -0.034 0.000 0.804 310 E CB 0.236 29.924 29.700 -0.021 0.000 0.741 310 E HN 0.514 nan 8.360 nan 0.000 0.458 311 D N -0.168 120.214 120.400 -0.031 0.000 2.342 311 D HA 0.149 4.804 4.640 0.026 0.000 0.221 311 D C 0.119 176.378 176.300 -0.069 0.000 1.101 311 D CA 0.289 54.257 54.000 -0.053 0.000 0.837 311 D CB 0.491 41.258 40.800 -0.054 0.000 0.938 311 D HN 0.081 nan 8.370 nan 0.000 0.508 312 L N 0.176 121.383 121.223 -0.027 0.000 2.354 312 L HA 0.747 5.103 4.340 0.026 0.000 0.264 312 L C -0.456 176.431 176.870 0.028 0.000 1.008 312 L CA -1.072 53.783 54.840 0.024 0.000 0.819 312 L CB 2.241 44.340 42.059 0.066 0.000 1.339 312 L HN -0.212 nan 8.230 nan 0.000 0.420 313 A N 1.529 124.428 122.820 0.133 0.000 2.435 313 A HA 0.885 5.221 4.320 0.026 0.000 0.304 313 A C -1.729 176.066 177.584 0.353 0.000 1.064 313 A CA -0.392 51.693 52.037 0.080 0.000 0.727 313 A CB 1.707 20.773 19.000 0.110 0.000 1.284 313 A HN 0.664 nan 8.150 nan 0.000 0.415 314 Y N -1.036 119.331 120.300 0.111 0.000 2.609 314 Y HA 0.823 5.389 4.550 0.027 0.000 0.336 314 Y C -1.059 174.752 175.900 -0.148 0.000 1.129 314 Y CA -1.643 56.548 58.100 0.152 0.000 1.040 314 Y CB 1.178 39.732 38.460 0.157 0.000 1.310 314 Y HN 0.589 nan 8.280 nan 0.000 0.460 315 M N 1.914 121.596 119.600 0.137 0.000 2.598 315 M HA 0.812 5.308 4.480 0.026 0.000 0.317 315 M C -0.224 176.287 176.300 0.352 0.000 1.179 315 M CA -0.632 54.686 55.300 0.031 0.000 0.936 315 M CB 2.497 34.849 32.600 -0.413 0.000 1.713 315 M HN 1.111 nan 8.290 nan 0.000 0.460 316 G N 0.641 109.634 108.800 0.321 0.000 2.606 316 G HA2 0.886 4.862 3.960 0.026 0.000 0.300 316 G HA3 0.886 4.862 3.960 0.026 0.000 0.300 316 G C -2.359 172.654 174.900 0.188 0.000 1.360 316 G CA -0.406 44.931 45.100 0.396 0.000 0.783 316 G HN 0.935 nan 8.290 nan 0.000 0.484 317 A N -1.342 121.609 122.820 0.219 0.000 2.608 317 A HA 0.659 4.994 4.320 0.026 0.000 0.292 317 A C 0.224 177.910 177.584 0.169 0.000 1.066 317 A CA -0.239 51.861 52.037 0.106 0.000 0.676 317 A CB 1.356 20.380 19.000 0.040 0.000 1.277 317 A HN 0.416 nan 8.150 nan 0.000 0.413 318 Q N -0.623 119.256 119.800 0.132 0.000 2.230 318 Q HA 0.056 4.412 4.340 0.026 0.000 0.202 318 Q C -0.671 175.178 176.000 -0.251 0.000 0.963 318 Q CA 1.605 57.438 55.803 0.049 0.000 0.866 318 Q CB -0.045 28.785 28.738 0.154 0.000 0.931 318 Q HN 0.650 nan 8.270 nan 0.000 0.452 319 Y N -1.501 118.829 120.300 0.050 0.000 2.545 319 Y HA 0.532 5.097 4.550 0.026 0.000 0.348 319 Y C 0.794 176.695 175.900 0.002 0.000 1.002 319 Y CA -0.872 57.243 58.100 0.025 0.000 1.039 319 Y CB 1.455 39.935 38.460 0.033 0.000 1.271 319 Y HN -0.078 nan 8.280 nan 0.000 0.467 320 G N 1.522 110.388 108.800 0.110 0.000 2.588 320 G HA2 0.468 4.444 3.960 0.026 0.000 0.278 320 G HA3 0.468 4.444 3.960 0.026 0.000 0.278 320 G C -2.510 172.414 174.900 0.040 0.000 1.307 320 G CA -1.085 44.021 45.100 0.010 0.000 1.016 320 G HN 0.372 nan 8.290 nan 0.000 0.503 321 P HA 0.321 nan 4.420 nan 0.000 0.282 321 P C -1.313 175.918 177.300 -0.114 0.000 1.287 321 P CA -0.612 62.435 63.100 -0.090 0.000 0.792 321 P CB 0.999 32.677 31.700 -0.037 0.000 1.163 322 F N 0.648 120.341 119.950 -0.428 0.000 2.415 322 F HA 0.439 4.982 4.527 0.027 0.000 0.348 322 F C -0.477 175.187 175.800 -0.226 0.000 1.119 322 F CA 0.006 57.760 58.000 -0.410 0.000 1.069 322 F CB 0.812 39.237 39.000 -0.957 0.000 1.124 322 F HN 0.106 nan 8.300 nan 0.000 0.472 323 D N 5.445 125.690 120.400 -0.259 0.000 2.591 323 D HA 0.167 4.823 4.640 0.026 0.000 0.222 323 D C -1.705 174.432 176.300 -0.272 0.000 1.360 323 D CA -0.223 53.707 54.000 -0.117 0.000 0.967 323 D CB 1.411 42.179 40.800 -0.055 0.000 1.456 323 D HN 0.713 nan 8.370 nan 0.000 0.588 324 Q N 2.462 122.128 119.800 -0.223 0.000 2.331 324 Q HA 0.473 4.829 4.340 0.026 0.000 0.272 324 Q C -1.458 174.323 176.000 -0.364 0.000 1.062 324 Q CA -0.708 54.934 55.803 -0.269 0.000 0.806 324 Q CB 1.584 30.199 28.738 -0.206 0.000 1.312 324 Q HN 0.481 nan 8.270 nan 0.000 0.431 325 H N 1.702 120.648 119.070 -0.206 0.000 2.495 325 H HA 0.479 5.051 4.556 0.026 0.000 0.348 325 H C -1.387 173.727 175.328 -0.357 0.000 1.113 325 H CA -0.259 55.730 56.048 -0.099 0.000 1.195 325 H CB 1.023 30.938 29.762 0.256 0.000 1.521 325 H HN 0.391 nan 8.280 nan 0.000 0.509 326 F N 1.982 121.954 119.950 0.036 0.000 2.449 326 F HA 0.439 4.981 4.527 0.026 0.000 0.342 326 F C -0.501 175.388 175.800 0.148 0.000 1.127 326 F CA -0.860 57.130 58.000 -0.017 0.000 0.975 326 F CB 1.381 40.119 39.000 -0.438 0.000 1.146 326 F HN 0.201 nan 8.300 nan 0.000 0.444 327 V N 4.859 125.038 119.914 0.442 0.000 2.357 327 V HA 0.097 4.233 4.120 0.026 0.000 0.281 327 V C -0.089 176.266 176.094 0.434 0.000 1.015 327 V CA -0.614 61.942 62.300 0.427 0.000 0.827 327 V CB 0.846 32.933 31.823 0.439 0.000 1.018 327 V HN 0.816 nan 8.190 nan 0.000 0.432 328 Y N 4.305 124.778 120.300 0.288 0.000 2.448 328 Y HA 0.512 5.078 4.550 0.027 0.000 0.289 328 Y C 1.305 177.325 175.900 0.202 0.000 1.114 328 Y CA 0.903 59.153 58.100 0.250 0.000 1.235 328 Y CB 0.340 38.914 38.460 0.189 0.000 1.045 328 Y HN 0.793 nan 8.280 nan 0.000 0.554 329 G N -0.125 108.790 108.800 0.192 0.000 2.730 329 G HA2 -0.018 3.958 3.960 0.026 0.000 0.686 329 G HA3 -0.018 3.958 3.960 0.026 0.000 0.686 329 G C 0.505 175.462 174.900 0.096 0.000 1.343 329 G CA -0.363 44.788 45.100 0.086 0.000 0.826 329 G HN 0.805 nan 8.290 nan 0.000 0.582 330 A N 0.758 123.633 122.820 0.093 0.000 1.835 330 A HA 0.611 4.946 4.320 0.026 0.000 0.213 330 A C 2.136 179.755 177.584 0.058 0.000 1.210 330 A CA 2.398 54.495 52.037 0.101 0.000 0.605 330 A CB -0.823 18.233 19.000 0.093 0.000 0.860 330 A HN 2.456 nan 8.150 nan 0.000 0.447 331 G N -1.382 107.424 108.800 0.011 0.000 2.535 331 G HA2 0.449 4.424 3.960 0.026 0.000 0.282 331 G HA3 0.449 4.424 3.960 0.026 0.000 0.282 331 G C 0.351 175.215 174.900 -0.060 0.000 1.350 331 G CA -0.016 45.077 45.100 -0.012 0.000 1.039 331 G HN 0.774 nan 8.290 nan 0.000 0.509 332 G N -2.061 106.704 108.800 -0.057 0.000 2.377 332 G HA2 0.667 4.643 3.960 0.026 0.000 0.299 332 G HA3 0.667 4.643 3.960 0.026 0.000 0.299 332 G C 0.231 175.070 174.900 -0.102 0.000 1.150 332 G CA 0.507 45.559 45.100 -0.080 0.000 0.847 332 G HN 1.826 nan 8.290 nan 0.000 0.501 333 G N 0.740 109.468 108.800 -0.120 0.000 2.576 333 G HA2 -0.061 3.915 3.960 0.026 0.000 0.686 333 G HA3 -0.061 3.915 3.960 0.026 0.000 0.686 333 G C 0.688 175.528 174.900 -0.099 0.000 1.242 333 G CA -0.042 44.993 45.100 -0.107 0.000 0.819 333 G HN 0.671 nan 8.290 nan 0.000 0.655 334 M N 0.118 119.660 119.600 -0.097 0.000 2.213 334 M HA 0.006 4.502 4.480 0.026 0.000 0.263 334 M C 1.624 177.919 176.300 -0.010 0.000 1.062 334 M CA 1.379 56.627 55.300 -0.088 0.000 1.105 334 M CB -0.132 32.371 32.600 -0.162 0.000 1.385 334 M HN 0.718 nan 8.290 nan 0.000 0.417 338 V N 1.768 121.829 119.914 0.245 0.000 2.358 338 V HA -0.217 3.919 4.120 0.026 0.000 0.246 338 V C 2.854 179.042 176.094 0.157 0.000 1.047 338 V CA 3.127 65.578 62.300 0.252 0.000 1.035 338 V CB -0.921 31.006 31.823 0.173 0.000 0.658 338 V HN 0.816 nan 8.190 nan 0.000 0.452 339 T N -0.829 113.795 114.554 0.116 0.000 2.821 339 T HA -0.116 4.250 4.350 0.026 0.000 0.267 339 T C 1.919 176.685 174.700 0.110 0.000 1.046 339 T CA 1.469 63.620 62.100 0.084 0.000 1.139 339 T CB -0.453 68.461 68.868 0.077 0.000 0.871 339 T HN 0.452 nan 8.240 nan 0.000 0.454 340 A N 0.764 123.680 122.820 0.161 0.000 1.930 340 A HA 0.137 4.473 4.320 0.026 0.000 0.217 340 A C 2.030 179.757 177.584 0.237 0.000 1.175 340 A CA 1.154 53.311 52.037 0.200 0.000 0.627 340 A CB -1.058 18.078 19.000 0.227 0.000 0.815 340 A HN 0.471 nan 8.150 nan 0.000 0.443 341 F N 1.937 121.900 119.950 0.022 0.000 2.146 341 F HA -0.138 4.405 4.527 0.026 0.000 0.298 341 F C 2.776 178.451 175.800 -0.210 0.000 1.096 341 F CA 1.431 59.338 58.000 -0.154 0.000 1.275 341 F CB -0.700 38.054 39.000 -0.411 0.000 1.008 341 F HN 0.341 nan 8.300 nan 0.000 0.480 342 S N 0.205 115.807 115.700 -0.164 0.000 2.402 342 S HA -0.184 4.302 4.470 0.026 0.000 0.229 342 S C 2.099 176.619 174.600 -0.133 0.000 1.021 342 S CA 1.160 59.209 58.200 -0.253 0.000 0.974 342 S CB -1.116 61.978 63.200 -0.177 0.000 0.800 342 S HN 0.366 nan 8.310 nan 0.000 0.484 343 L N 1.695 122.908 121.223 -0.018 0.000 2.017 343 L HA 0.111 4.467 4.340 0.026 0.000 0.208 343 L C 2.290 179.187 176.870 0.045 0.000 1.073 343 L CA 1.616 56.484 54.840 0.047 0.000 0.745 343 L CB -0.777 41.362 42.059 0.133 0.000 0.894 343 L HN 0.387 nan 8.230 nan 0.000 0.432 344 L N -0.907 120.341 121.223 0.041 0.000 2.127 344 L HA -0.237 4.119 4.340 0.026 0.000 0.211 344 L C 2.093 178.922 176.870 -0.067 0.000 1.089 344 L CA 1.315 56.175 54.840 0.034 0.000 0.757 344 L CB -0.573 41.520 42.059 0.057 0.000 0.899 344 L HN 0.459 nan 8.230 nan 0.000 0.434 345 Q N -0.274 119.416 119.800 -0.183 0.000 2.280 345 Q HA 0.171 4.527 4.340 0.026 0.000 0.201 345 Q C 1.034 176.958 176.000 -0.126 0.000 0.890 345 Q CA -0.152 55.530 55.803 -0.202 0.000 0.947 345 Q CB 0.511 29.035 28.738 -0.357 0.000 1.081 345 Q HN 0.438 nan 8.270 nan 0.000 0.502 346 G N 0.811 109.565 108.800 -0.076 0.000 2.651 346 G HA2 0.081 4.056 3.960 0.026 0.000 0.260 346 G HA3 0.081 4.056 3.960 0.026 0.000 0.260 346 G C 0.459 175.265 174.900 -0.156 0.000 1.216 346 G CA -0.344 44.705 45.100 -0.085 0.000 0.913 346 G HN -0.010 nan 8.290 nan 0.000 0.535 347 K N -0.260 119.988 120.400 -0.253 0.000 2.537 347 K HA 0.148 4.484 4.320 0.026 0.000 0.206 347 K C 1.426 177.693 176.600 -0.556 0.000 1.041 347 K CA -0.112 55.920 56.287 -0.425 0.000 1.090 347 K CB 1.032 33.278 32.500 -0.423 0.000 0.833 347 K HN 0.491 nan 8.250 nan 0.000 0.493 348 E N 0.342 120.189 120.200 -0.588 0.000 2.171 348 E HA -0.184 4.182 4.350 0.026 0.000 0.197 348 E C 1.370 177.299 176.600 -1.119 0.000 0.997 348 E CA 1.293 57.109 56.400 -0.973 0.000 0.810 348 E CB -0.462 28.224 29.700 -1.691 0.000 0.738 348 E HN 0.464 nan 8.360 nan 0.000 0.467 349 F N 0.369 119.806 119.950 -0.856 0.000 2.451 349 F HA 0.023 4.566 4.527 0.026 0.000 0.299 349 F C 1.289 176.967 175.800 -0.202 0.000 1.101 349 F CA 0.808 58.544 58.000 -0.440 0.000 1.436 349 F CB -0.180 38.762 39.000 -0.097 0.000 1.074 349 F HN -0.080 nan 8.300 nan 0.000 0.553 350 E N 0.068 119.697 120.200 -0.952 0.000 2.474 350 E HA 0.005 4.371 4.350 0.026 0.000 0.195 350 E C -0.177 176.222 176.600 -0.335 0.000 1.039 350 E CA 0.123 56.135 56.400 -0.648 0.000 0.881 350 E CB -0.123 29.125 29.700 -0.753 0.000 0.970 350 E HN 0.338 nan 8.360 nan 0.000 0.486 351 N N 2.408 120.921 118.700 -0.313 0.000 2.738 351 N HA -0.147 4.609 4.740 0.026 0.000 0.249 351 N C -0.812 174.610 175.510 -0.147 0.000 1.047 351 N CA 0.669 53.617 53.050 -0.169 0.000 0.707 351 N CB -0.980 37.475 38.487 -0.053 0.000 0.937 351 N HN 0.275 nan 8.380 nan 0.000 0.545 352 Q N 0.426 120.101 119.800 -0.209 0.000 2.274 352 Q HA 0.071 4.427 4.340 0.026 0.000 0.280 352 Q C 1.372 177.329 176.000 -0.071 0.000 1.047 352 Q CA 0.097 55.813 55.803 -0.146 0.000 0.907 352 Q CB 1.349 29.975 28.738 -0.186 0.000 1.171 352 Q HN 0.258 nan 8.270 nan 0.000 0.381 353 V N 4.079 123.994 119.914 0.001 0.000 2.951 353 V HA -0.141 3.995 4.120 0.026 0.000 0.255 353 V C 1.120 177.302 176.094 0.146 0.000 1.088 353 V CA 1.323 63.683 62.300 0.100 0.000 1.109 353 V CB 0.144 32.059 31.823 0.153 0.000 0.724 353 V HN 0.671 nan 8.190 nan 0.000 0.471 354 L N -0.749 120.481 121.223 0.012 0.000 2.691 354 L HA 0.479 4.835 4.340 0.026 0.000 0.185 354 L C 0.834 177.565 176.870 -0.231 0.000 1.081 354 L CA 0.841 55.594 54.840 -0.145 0.000 0.865 354 L CB -0.256 41.666 42.059 -0.229 0.000 1.370 354 L HN 0.158 nan 8.230 nan 0.000 0.488 355 N N 1.480 120.068 118.700 -0.186 0.000 3.193 355 N HA 0.052 4.807 4.740 0.026 0.000 0.312 355 N C 0.626 176.037 175.510 -0.166 0.000 1.261 355 N CA 0.172 53.109 53.050 -0.189 0.000 1.208 355 N CB 0.247 38.654 38.487 -0.134 0.000 1.471 355 N HN 0.447 nan 8.380 nan 0.000 0.548 356 K N 0.307 120.583 120.400 -0.206 0.000 2.076 356 K HA 0.111 4.447 4.320 0.026 0.000 0.204 356 K C 1.085 177.625 176.600 -0.100 0.000 1.051 356 K CA 0.734 56.912 56.287 -0.183 0.000 0.949 356 K CB 0.429 32.809 32.500 -0.200 0.000 0.726 356 K HN 0.090 nan 8.250 nan 0.000 0.443 357 R N 0.165 120.572 120.500 -0.156 0.000 2.476 357 R HA 0.190 4.546 4.340 0.026 0.000 0.276 357 R C 0.158 176.194 176.300 -0.440 0.000 0.941 357 R CA 0.205 56.211 56.100 -0.157 0.000 1.088 357 R CB 1.053 31.231 30.300 -0.203 0.000 1.216 357 R HN 0.197 nan 8.270 nan 0.000 0.533 358 S N -1.419 113.997 115.700 -0.474 0.000 2.688 358 S HA 0.250 4.736 4.470 0.026 0.000 0.266 358 S C -0.793 173.611 174.600 -0.326 0.000 1.061 358 S CA -0.840 56.978 58.200 -0.637 0.000 0.844 358 S CB 1.010 63.922 63.200 -0.482 0.000 1.103 358 S HN -0.038 nan 8.310 nan 0.000 0.471 359 V N -0.464 119.304 119.914 -0.243 0.000 2.427 359 V HA 0.688 4.823 4.120 0.026 0.000 0.286 359 V C 0.265 176.297 176.094 -0.104 0.000 1.034 359 V CA -0.938 61.286 62.300 -0.127 0.000 0.893 359 V CB 1.114 32.908 31.823 -0.047 0.000 0.982 359 V HN 0.913 nan 8.190 nan 0.000 0.452 360 M N 6.377 125.869 119.600 -0.181 0.000 2.239 360 M HA 0.354 4.850 4.480 0.026 0.000 0.348 360 M C -2.079 174.079 176.300 -0.237 0.000 1.239 360 M CA -1.591 53.555 55.300 -0.255 0.000 1.114 360 M CB 0.512 32.911 32.600 -0.335 0.000 1.641 360 M HN 0.594 nan 8.290 nan 0.000 0.453 361 P HA 0.460 nan 4.420 nan 0.000 0.280 361 P C -2.817 174.190 177.300 -0.488 0.000 1.272 361 P CA -1.774 60.851 63.100 -0.792 0.000 0.819 361 P CB -0.308 30.542 31.700 -1.416 0.000 1.122 362 P HA 0.094 nan 4.420 nan 0.000 0.271 362 P C 0.905 177.797 177.300 -0.680 0.000 1.218 362 P CA -0.034 62.616 63.100 -0.751 0.000 0.780 362 P CB 0.365 31.129 31.700 -1.561 0.000 0.901 363 K N 3.532 123.633 120.400 -0.497 0.000 2.127 363 K HA -0.242 4.094 4.320 0.026 0.000 0.208 363 K C 1.686 178.041 176.600 -0.408 0.000 1.047 363 K CA 2.113 58.031 56.287 -0.615 0.000 0.927 363 K CB -1.414 30.613 32.500 -0.789 0.000 0.716 363 K HN 0.559 nan 8.250 nan 0.000 0.450 364 Y N -1.201 118.848 120.300 -0.417 0.000 2.483 364 Y HA 0.008 4.573 4.550 0.025 0.000 0.291 364 Y C 1.609 177.396 175.900 -0.189 0.000 1.143 364 Y CA 0.529 58.421 58.100 -0.347 0.000 1.289 364 Y CB -1.116 37.075 38.460 -0.450 0.000 0.983 364 Y HN -0.116 nan 8.280 nan 0.000 0.556 365 V N 0.027 119.746 119.914 -0.324 0.000 2.759 365 V HA -0.233 3.903 4.120 0.026 0.000 0.256 365 V C 1.326 177.365 176.094 -0.093 0.000 1.080 365 V CA 1.407 63.543 62.300 -0.273 0.000 1.101 365 V CB -0.988 30.323 31.823 -0.854 0.000 0.698 365 V HN 0.349 nan 8.190 nan 0.000 0.477 366 F N 0.645 120.632 119.950 0.061 0.000 2.773 366 F HA 0.391 4.933 4.527 0.025 0.000 0.304 366 F C 1.571 177.392 175.800 0.035 0.000 1.129 366 F CA -0.241 57.795 58.000 0.061 0.000 1.378 366 F CB -0.774 38.187 39.000 -0.065 0.000 1.095 366 F HN 0.131 nan 8.300 nan 0.000 0.565 367 G N -0.607 108.306 108.800 0.187 0.000 2.580 367 G HA2 0.246 4.222 3.960 0.026 0.000 0.278 367 G HA3 0.246 4.222 3.960 0.026 0.000 0.278 367 G C -1.155 173.918 174.900 0.288 0.000 1.212 367 G CA -0.408 44.735 45.100 0.072 0.000 0.939 367 G HN 0.050 nan 8.290 nan 0.000 0.513 368 F N 0.558 120.639 119.950 0.219 0.000 2.411 368 F HA 0.653 5.201 4.527 0.034 0.000 0.355 368 F C -0.970 174.600 175.800 -0.384 0.000 1.117 368 F CA -1.920 56.098 58.000 0.029 0.000 1.139 368 F CB 0.300 39.391 39.000 0.151 0.000 1.120 368 F HN 0.163 nan 8.300 nan 0.000 0.493 369 F N 3.790 123.180 119.950 -0.932 0.000 2.470 369 F HA 0.457 4.999 4.527 0.025 0.000 0.329 369 F C -0.220 174.985 175.800 -0.991 0.000 1.072 369 F CA -0.803 56.677 58.000 -0.868 0.000 0.989 369 F CB 1.666 40.342 39.000 -0.540 0.000 1.193 369 F HN 0.370 nan 8.300 nan 0.000 0.481 370 Q N 1.266 120.879 119.800 -0.310 0.000 2.331 370 Q HA 0.636 4.992 4.340 0.026 0.000 0.267 370 Q C -0.705 175.325 176.000 0.050 0.000 1.006 370 Q CA -0.475 55.280 55.803 -0.081 0.000 0.818 370 Q CB 1.940 30.779 28.738 0.168 0.000 1.276 370 Q HN 0.804 nan 8.270 nan 0.000 0.450 371 G N 1.475 110.321 108.800 0.077 0.000 2.420 371 G HA2 0.689 4.665 3.960 0.026 0.000 0.331 371 G HA3 0.689 4.665 3.960 0.026 0.000 0.331 371 G C -1.424 173.723 174.900 0.413 0.000 1.168 371 G CA -0.565 44.611 45.100 0.127 0.000 0.936 371 G HN 0.508 nan 8.290 nan 0.000 0.479 372 V N 2.025 122.135 119.914 0.326 0.000 2.623 372 V HA 0.347 4.483 4.120 0.026 0.000 0.304 372 V C -1.298 174.949 176.094 0.256 0.000 1.054 372 V CA -0.845 61.495 62.300 0.067 0.000 0.882 372 V CB 1.771 33.596 31.823 0.004 0.000 1.002 372 V HN 0.692 nan 8.190 nan 0.000 0.424 373 F N 4.333 124.259 119.950 -0.039 0.000 2.375 373 F HA 0.719 5.261 4.527 0.025 0.000 0.362 373 F C 0.867 176.596 175.800 -0.118 0.000 1.129 373 F CA -0.347 57.681 58.000 0.047 0.000 1.154 373 F CB 0.647 39.763 39.000 0.193 0.000 1.205 373 F HN 0.794 nan 8.300 nan 0.000 0.513 374 G N 2.857 111.641 108.800 -0.026 0.000 2.247 374 G HA2 -0.087 3.889 3.960 0.026 0.000 0.111 374 G HA3 -0.087 3.889 3.960 0.026 0.000 0.111 374 G C -0.088 174.785 174.900 -0.045 0.000 1.045 374 G CA -0.229 44.750 45.100 -0.203 0.000 0.715 374 G HN 0.983 nan 8.290 nan 0.000 0.485 375 T N -1.974 112.629 114.554 0.082 0.000 2.902 375 T HA 0.733 5.099 4.350 0.026 0.000 0.280 375 T C 1.251 176.051 174.700 0.166 0.000 0.992 375 T CA 0.623 62.795 62.100 0.120 0.000 1.015 375 T CB 1.878 70.865 68.868 0.197 0.000 1.044 375 T HN 1.188 nan 8.240 nan 0.000 0.520 376 S N -1.073 114.657 115.700 0.051 0.000 2.787 376 S HA 0.424 4.910 4.470 0.026 0.000 0.255 376 S C 0.320 174.768 174.600 -0.253 0.000 1.051 376 S CA 0.070 58.284 58.200 0.023 0.000 1.124 376 S CB -0.375 62.813 63.200 -0.020 0.000 1.104 376 S HN 1.498 nan 8.310 nan 0.000 0.623 377 S N 0.117 115.401 115.700 -0.692 0.000 2.627 377 S HA 0.562 5.047 4.470 0.026 0.000 0.268 377 S C 0.011 173.926 174.600 -1.141 0.000 1.130 377 S CA -0.504 57.032 58.200 -1.106 0.000 0.819 377 S CB 0.731 63.649 63.200 -0.469 0.000 1.100 377 S HN 0.289 nan 8.310 nan 0.000 0.465 378 L N 1.042 121.674 121.223 -0.985 0.000 2.034 378 L HA 0.498 4.854 4.340 0.026 0.000 0.203 378 L C 0.247 176.752 176.870 -0.608 0.000 1.074 378 L CA 1.464 55.880 54.840 -0.705 0.000 0.748 378 L CB -0.643 41.048 42.059 -0.612 0.000 0.905 378 L HN 0.720 nan 8.230 nan 0.000 0.439 379 L N -0.087 120.865 121.223 -0.451 0.000 2.343 379 L HA 0.324 4.679 4.340 0.026 0.000 0.275 379 L C 1.627 178.349 176.870 -0.246 0.000 1.056 379 L CA -0.590 54.041 54.840 -0.348 0.000 0.804 379 L CB 1.288 43.202 42.059 -0.242 0.000 1.203 379 L HN 0.112 nan 8.230 nan 0.000 0.440 380 R N 1.715 122.096 120.500 -0.198 0.000 2.091 380 R HA -0.187 4.169 4.340 0.026 0.000 0.238 380 R C 2.045 178.239 176.300 -0.176 0.000 1.136 380 R CA 1.621 57.630 56.100 -0.152 0.000 0.959 380 R CB -0.391 29.844 30.300 -0.109 0.000 0.856 380 R HN 0.855 nan 8.270 nan 0.000 0.437 381 A N 0.602 123.275 122.820 -0.245 0.000 2.076 381 A HA -0.160 4.176 4.320 0.026 0.000 0.220 381 A C 1.034 178.325 177.584 -0.489 0.000 1.160 381 A CA 1.335 53.148 52.037 -0.372 0.000 0.653 381 A CB -0.291 18.422 19.000 -0.479 0.000 0.801 381 A HN 0.348 nan 8.150 nan 0.000 0.455 382 H N -2.312 116.690 119.070 -0.113 0.000 2.581 382 H HA 0.288 4.859 4.556 0.026 0.000 0.275 382 H C 0.111 175.359 175.328 -0.132 0.000 1.126 382 H CA -0.329 55.652 56.048 -0.111 0.000 1.097 382 H CB -0.158 29.535 29.762 -0.115 0.000 1.626 382 H HN 0.472 nan 8.280 nan 0.000 0.565 383 M N 3.824 123.384 119.600 -0.067 0.000 2.188 383 M HA 0.186 4.682 4.480 0.026 0.000 0.354 383 M C -2.174 174.096 176.300 -0.049 0.000 1.342 383 M CA -1.354 53.894 55.300 -0.087 0.000 1.117 383 M CB 0.833 33.371 32.600 -0.102 0.000 1.670 383 M HN -0.093 nan 8.290 nan 0.000 0.466 384 P HA 0.188 nan 4.420 nan 0.000 0.271 384 P C -1.192 176.093 177.300 -0.026 0.000 1.216 384 P CA -0.350 62.735 63.100 -0.026 0.000 0.776 384 P CB 0.492 32.178 31.700 -0.022 0.000 0.881 385 A N 2.092 124.901 122.820 -0.018 0.000 2.462 385 A HA 0.554 4.890 4.320 0.026 0.000 0.243 385 A C 0.709 178.288 177.584 -0.008 0.000 1.076 385 A CA 0.683 52.713 52.037 -0.012 0.000 0.773 385 A CB -0.593 18.402 19.000 -0.008 0.000 1.010 385 A HN 0.824 nan 8.150 nan 0.000 0.493 386 G N 0.907 109.708 108.800 0.002 0.000 2.443 386 G HA2 0.400 4.376 3.960 0.026 0.000 0.303 386 G HA3 0.400 4.376 3.960 0.026 0.000 0.303 386 G C -0.897 174.031 174.900 0.046 0.000 1.613 386 G CA -0.705 44.402 45.100 0.010 0.000 0.879 386 G HN 0.896 nan 8.290 nan 0.000 0.632 387 E N 0.967 121.224 120.200 0.095 0.000 2.493 387 E HA 0.070 4.436 4.350 0.026 0.000 0.255 387 E C 1.012 177.752 176.600 0.233 0.000 0.999 387 E CA 0.657 57.163 56.400 0.176 0.000 0.934 387 E CB 0.128 29.996 29.700 0.280 0.000 0.940 387 E HN 0.615 nan 8.360 nan 0.000 0.473 388 N N 2.899 121.698 118.700 0.164 0.000 2.828 388 N HA -0.211 4.545 4.740 0.026 0.000 0.248 388 N C -1.039 174.538 175.510 0.112 0.000 1.044 388 N CA 0.836 53.985 53.050 0.164 0.000 0.851 388 N CB -1.113 37.541 38.487 0.279 0.000 1.136 388 N HN 0.502 nan 8.380 nan 0.000 0.572 389 N N 0.695 119.433 118.700 0.062 0.000 2.395 389 N HA 0.264 5.020 4.740 0.026 0.000 0.246 389 N C 0.045 175.567 175.510 0.019 0.000 1.246 389 N CA 0.507 53.568 53.050 0.018 0.000 0.879 389 N CB 0.443 38.925 38.487 -0.009 0.000 1.098 389 N HN 0.493 nan 8.380 nan 0.000 0.444 390 I N -0.166 120.409 120.570 0.009 0.000 2.802 390 I HA 0.288 4.474 4.170 0.026 0.000 0.298 390 I C -0.398 175.701 176.117 -0.030 0.000 1.176 390 I CA -0.588 60.719 61.300 0.012 0.000 1.025 390 I CB 1.519 39.558 38.000 0.066 0.000 1.243 390 I HN 0.587 nan 8.210 nan 0.000 0.424 391 S N 4.714 120.377 115.700 -0.061 0.000 2.616 391 S HA 0.331 4.817 4.470 0.026 0.000 0.277 391 S C 0.930 175.473 174.600 -0.094 0.000 1.234 391 S CA -0.725 57.391 58.200 -0.140 0.000 1.028 391 S CB 1.888 64.981 63.200 -0.178 0.000 0.988 391 S HN 0.492 nan 8.310 nan 0.000 0.522 392 V N 1.644 121.465 119.914 -0.156 0.000 2.324 392 V HA -0.205 3.931 4.120 0.026 0.000 0.250 392 V C 2.780 178.849 176.094 -0.040 0.000 1.060 392 V CA 2.496 64.758 62.300 -0.063 0.000 1.042 392 V CB -1.185 30.564 31.823 -0.123 0.000 0.650 392 V HN 1.085 nan 8.190 nan 0.000 0.450 393 E N 0.113 120.192 120.200 -0.202 0.000 2.085 393 E HA -0.318 4.048 4.350 0.026 0.000 0.194 393 E C 2.263 178.896 176.600 0.054 0.000 0.994 393 E CA 1.851 58.204 56.400 -0.079 0.000 0.801 393 E CB -0.196 29.387 29.700 -0.195 0.000 0.743 393 E HN 0.745 nan 8.360 nan 0.000 0.453 394 E N 0.237 120.434 120.200 -0.006 0.000 2.077 394 E HA -0.203 4.163 4.350 0.026 0.000 0.193 394 E C 2.145 178.733 176.600 -0.021 0.000 0.989 394 E CA 1.336 57.727 56.400 -0.014 0.000 0.800 394 E CB -0.129 29.567 29.700 -0.006 0.000 0.746 394 E HN 0.400 nan 8.360 nan 0.000 0.452 395 I N 0.435 121.055 120.570 0.083 0.000 2.179 395 I HA -0.259 3.927 4.170 0.026 0.000 0.242 395 I C 2.387 178.546 176.117 0.071 0.000 1.088 395 I CA 0.755 62.157 61.300 0.170 0.000 1.357 395 I CB -0.166 37.999 38.000 0.275 0.000 1.051 395 I HN 0.063 nan 8.210 nan 0.000 0.409 396 V N 0.637 120.653 119.914 0.171 0.000 2.343 396 V HA -0.259 3.877 4.120 0.026 0.000 0.247 396 V C 2.329 178.452 176.094 0.048 0.000 1.051 396 V CA 1.847 64.285 62.300 0.230 0.000 1.036 396 V CB -0.681 31.421 31.823 0.466 0.000 0.654 396 V HN 0.428 nan 8.190 nan 0.000 0.451 397 E N 0.424 120.615 120.200 -0.015 0.000 2.077 397 E HA -0.161 4.205 4.350 0.026 0.000 0.193 397 E C 2.348 178.744 176.600 -0.339 0.000 0.989 397 E CA 1.298 57.631 56.400 -0.112 0.000 0.800 397 E CB -0.539 29.105 29.700 -0.092 0.000 0.746 397 E HN 0.640 nan 8.360 nan 0.000 0.452 398 G N 0.046 108.391 108.800 -0.758 0.000 2.418 398 G HA2 -0.255 3.721 3.960 0.026 0.000 0.217 398 G HA3 -0.255 3.721 3.960 0.026 0.000 0.217 398 G C 1.076 175.341 174.900 -1.059 0.000 1.158 398 G CA 0.793 44.920 45.100 -1.622 0.000 0.771 398 G HN 0.189 nan 8.290 nan 0.000 0.545 399 Y N 0.565 120.501 120.300 -0.607 0.000 2.184 399 Y HA 0.001 4.565 4.550 0.023 0.000 0.290 399 Y C 3.204 179.103 175.900 -0.001 0.000 1.129 399 Y CA 1.453 59.390 58.100 -0.272 0.000 1.144 399 Y CB -0.345 37.630 38.460 -0.810 0.000 0.995 399 Y HN 0.219 nan 8.280 nan 0.000 0.513 400 Q N -0.341 119.521 119.800 0.103 0.000 2.123 400 Q HA -0.146 4.210 4.340 0.026 0.000 0.199 400 Q C 1.744 177.785 176.000 0.068 0.000 0.966 400 Q CA 1.139 57.019 55.803 0.128 0.000 0.845 400 Q CB -0.189 28.618 28.738 0.116 0.000 0.907 400 Q HN 0.439 nan 8.270 nan 0.000 0.439 401 N N 0.872 119.571 118.700 -0.001 0.000 2.309 401 N HA -0.082 4.673 4.740 0.026 0.000 0.182 401 N C 0.909 176.426 175.510 0.013 0.000 1.018 401 N CA 0.834 53.874 53.050 -0.016 0.000 0.876 401 N CB -0.112 38.335 38.487 -0.067 0.000 0.972 401 N HN 0.240 nan 8.380 nan 0.000 0.434 402 N N 1.029 119.767 118.700 0.064 0.000 2.268 402 N HA -0.024 4.732 4.740 0.026 0.000 0.204 402 N C -0.305 175.251 175.510 0.076 0.000 1.124 402 N CA 0.008 53.128 53.050 0.117 0.000 0.838 402 N CB -0.041 38.610 38.487 0.273 0.000 0.994 402 N HN 0.140 nan 8.380 nan 0.000 0.489 403 N N 0.312 119.069 118.700 0.096 0.000 2.738 403 N HA -0.216 4.540 4.740 0.026 0.000 0.249 403 N C -1.303 174.206 175.510 -0.002 0.000 1.047 403 N CA 0.264 53.339 53.050 0.041 0.000 0.707 403 N CB -1.874 36.595 38.487 -0.031 0.000 0.937 403 N HN 0.107 nan 8.380 nan 0.000 0.545 404 F N 0.246 120.275 119.950 0.131 0.000 2.384 404 F HA 0.401 4.939 4.527 0.019 0.000 0.338 404 F C -1.377 174.489 175.800 0.110 0.000 1.103 404 F CA -1.805 56.294 58.000 0.165 0.000 1.157 404 F CB 0.831 40.049 39.000 0.362 0.000 1.167 404 F HN 0.034 nan 8.300 nan 0.000 0.529 405 P HA 0.058 nan 4.420 nan 0.000 0.271 405 P C -1.088 176.251 177.300 0.066 0.000 1.226 405 P CA 0.284 63.261 63.100 -0.204 0.000 0.765 405 P CB 0.214 31.351 31.700 -0.939 0.000 0.835 406 F N 3.013 122.944 119.950 -0.031 0.000 2.653 406 F HA 0.287 4.830 4.527 0.026 0.000 0.327 406 F C 0.750 176.497 175.800 -0.087 0.000 1.195 406 F CA -0.823 57.155 58.000 -0.036 0.000 0.993 406 F CB 1.961 40.938 39.000 -0.038 0.000 1.259 406 F HN 0.120 nan 8.300 nan 0.000 0.478 407 E N 3.096 122.799 120.200 -0.828 0.000 2.190 407 E HA 0.460 4.826 4.350 0.026 0.000 0.191 407 E C 0.932 176.872 176.600 -1.101 0.000 0.978 407 E CA 1.371 57.237 56.400 -0.889 0.000 0.839 407 E CB 0.241 29.213 29.700 -1.213 0.000 0.787 407 E HN 1.000 nan 8.360 nan 0.000 0.473 408 G N -1.419 106.405 108.800 -1.626 0.000 2.334 408 G HA2 0.140 4.116 3.960 0.026 0.000 0.249 408 G HA3 0.140 4.116 3.960 0.026 0.000 0.249 408 G C -1.631 173.005 174.900 -0.440 0.000 1.327 408 G CA -0.525 44.039 45.100 -0.893 0.000 0.979 408 G HN 0.047 nan 8.290 nan 0.000 0.471 409 L N 0.384 121.657 121.223 0.083 0.000 2.341 409 L HA 0.809 5.165 4.340 0.026 0.000 0.267 409 L C 0.446 177.385 176.870 0.116 0.000 1.009 409 L CA -0.760 54.180 54.840 0.167 0.000 0.819 409 L CB 2.353 44.542 42.059 0.216 0.000 1.323 409 L HN 1.077 nan 8.230 nan 0.000 0.425 410 A N 2.323 125.112 122.820 -0.052 0.000 2.341 410 A HA 0.645 4.981 4.320 0.026 0.000 0.326 410 A C -0.547 177.035 177.584 -0.004 0.000 1.402 410 A CA -0.469 51.389 52.037 -0.299 0.000 0.957 410 A CB 0.269 18.686 19.000 -0.971 0.000 1.151 410 A HN 0.384 nan 8.150 nan 0.000 0.533 411 V N 3.818 123.833 119.914 0.168 0.000 2.432 411 V HA 0.160 4.296 4.120 0.026 0.000 0.271 411 V C 0.369 176.601 176.094 0.231 0.000 1.046 411 V CA -0.445 61.978 62.300 0.204 0.000 0.945 411 V CB 0.980 32.902 31.823 0.165 0.000 0.992 411 V HN 0.908 nan 8.190 nan 0.000 0.471 412 D N 2.517 123.024 120.400 0.178 0.000 2.511 412 D HA 0.210 4.866 4.640 0.026 0.000 0.276 412 D C 1.344 177.514 176.300 -0.217 0.000 1.220 412 D CA -0.141 53.852 54.000 -0.012 0.000 1.077 412 D CB 1.930 42.797 40.800 0.111 0.000 1.126 412 D HN 0.336 nan 8.370 nan 0.000 0.583 413 V N -0.950 118.750 119.914 -0.356 0.000 2.867 413 V HA -0.161 3.974 4.120 0.026 0.000 0.260 413 V C 1.361 177.315 176.094 -0.234 0.000 1.099 413 V CA 1.390 63.488 62.300 -0.337 0.000 1.122 413 V CB -0.570 30.982 31.823 -0.452 0.000 0.708 413 V HN 0.337 nan 8.190 nan 0.000 0.490 414 D N 1.944 122.260 120.400 -0.141 0.000 2.170 414 D HA -0.306 4.350 4.640 0.026 0.000 0.193 414 D C 2.148 178.193 176.300 -0.425 0.000 1.004 414 D CA 2.600 56.525 54.000 -0.126 0.000 0.860 414 D CB -0.363 40.462 40.800 0.041 0.000 0.931 414 D HN 0.752 nan 8.370 nan 0.000 0.448 415 M N -0.108 118.990 119.600 -0.836 0.000 2.460 415 M HA -0.048 4.448 4.480 0.026 0.000 0.263 415 M C 0.620 176.588 176.300 -0.553 0.000 1.071 415 M CA 0.822 55.295 55.300 -1.377 0.000 1.096 415 M CB -0.070 31.700 32.600 -1.384 0.000 1.408 415 M HN -0.201 nan 8.290 nan 0.000 0.463 416 Q N 2.029 121.624 119.800 -0.342 0.000 2.417 416 Q HA 0.088 4.444 4.340 0.026 0.000 0.241 416 Q C -0.603 175.311 176.000 -0.143 0.000 1.008 416 Q CA -0.397 55.283 55.803 -0.206 0.000 0.901 416 Q CB 0.535 29.151 28.738 -0.204 0.000 1.259 416 Q HN 0.199 nan 8.270 nan 0.000 0.489 417 D N 2.006 122.337 120.400 -0.114 0.000 2.344 417 D HA -0.041 4.615 4.640 0.026 0.000 0.253 417 D C -0.394 175.823 176.300 -0.138 0.000 1.255 417 D CA 0.222 54.164 54.000 -0.097 0.000 0.894 417 D CB -0.182 40.569 40.800 -0.083 0.000 1.067 417 D HN 0.452 nan 8.370 nan 0.000 0.492 418 N N 4.319 122.958 118.700 -0.103 0.000 2.705 418 N HA -0.221 4.534 4.740 0.026 0.000 0.255 418 N C 0.079 175.512 175.510 -0.129 0.000 1.008 418 N CA 0.712 53.703 53.050 -0.099 0.000 0.742 418 N CB -0.688 37.744 38.487 -0.091 0.000 0.906 418 N HN 0.739 nan 8.380 nan 0.000 0.541 419 L N -2.769 118.379 121.223 -0.124 0.000 3.843 419 L HA -0.318 4.038 4.340 0.026 0.000 0.411 419 L C 0.357 177.117 176.870 -0.184 0.000 1.205 419 L CA 1.038 55.807 54.840 -0.117 0.000 0.945 419 L CB -1.341 40.692 42.059 -0.043 0.000 1.929 419 L HN 0.297 nan 8.230 nan 0.000 0.934 420 R N 0.377 120.700 120.500 -0.294 0.000 2.205 420 R HA 0.463 4.819 4.340 0.026 0.000 0.342 420 R C 0.190 176.340 176.300 -0.250 0.000 1.058 420 R CA -0.430 55.356 56.100 -0.523 0.000 0.904 420 R CB 1.780 31.494 30.300 -0.977 0.000 1.089 420 R HN 0.083 nan 8.270 nan 0.000 0.471 421 V N 5.073 124.942 119.914 -0.074 0.000 2.763 421 V HA -0.056 4.080 4.120 0.026 0.000 0.306 421 V C 0.354 176.418 176.094 -0.051 0.000 1.059 421 V CA 0.949 63.149 62.300 -0.167 0.000 1.138 421 V CB -0.304 31.396 31.823 -0.205 0.000 0.940 421 V HN 0.940 nan 8.190 nan 0.000 0.489 422 F N 1.734 121.597 119.950 -0.144 0.000 2.656 422 F HA -0.193 4.350 4.527 0.027 0.000 0.381 422 F C 0.929 176.685 175.800 -0.073 0.000 0.603 422 F CA 1.185 59.074 58.000 -0.186 0.000 1.335 422 F CB -2.453 36.385 39.000 -0.270 0.000 1.836 422 F HN 0.817 nan 8.300 nan 0.000 0.290 423 T N -1.445 113.150 114.554 0.068 0.000 2.936 423 T HA 0.770 5.136 4.350 0.026 0.000 0.282 423 T C 0.286 175.003 174.700 0.028 0.000 1.003 423 T CA 0.209 62.342 62.100 0.055 0.000 1.005 423 T CB 2.627 71.490 68.868 -0.007 0.000 1.097 423 T HN 0.446 nan 8.240 nan 0.000 0.532 424 T N -1.611 112.996 114.554 0.089 0.000 2.887 424 T HA 0.729 5.094 4.350 0.026 0.000 0.292 424 T C -0.891 173.879 174.700 0.117 0.000 1.087 424 T CA -1.193 60.967 62.100 0.100 0.000 1.009 424 T CB 1.729 70.776 68.868 0.297 0.000 1.203 424 T HN 1.060 nan 8.240 nan 0.000 0.518 425 K N -0.371 120.111 120.400 0.137 0.000 2.295 425 K HA 0.733 5.068 4.320 0.026 0.000 0.239 425 K C 1.410 178.171 176.600 0.267 0.000 0.991 425 K CA -0.912 55.461 56.287 0.143 0.000 0.845 425 K CB 1.096 33.654 32.500 0.096 0.000 1.197 425 K HN 0.629 nan 8.250 nan 0.000 0.441 426 G N 1.047 109.922 108.800 0.123 0.000 2.469 426 G HA2 -0.276 3.699 3.960 0.026 0.000 0.220 426 G HA3 -0.276 3.699 3.960 0.026 0.000 0.220 426 G C 0.869 175.850 174.900 0.136 0.000 1.136 426 G CA 0.886 46.035 45.100 0.081 0.000 0.759 426 G HN 0.811 nan 8.290 nan 0.000 0.562 427 E N -0.340 119.929 120.200 0.116 0.000 2.265 427 E HA -0.034 4.332 4.350 0.026 0.000 0.196 427 E C 1.221 177.748 176.600 -0.121 0.000 0.996 427 E CA 0.521 56.916 56.400 -0.009 0.000 0.832 427 E CB -0.230 29.456 29.700 -0.022 0.000 0.756 427 E HN 0.598 nan 8.360 nan 0.000 0.491 428 F N -1.270 118.691 119.950 0.018 0.000 2.645 428 F HA 0.206 4.748 4.527 0.025 0.000 0.300 428 F C -0.200 175.455 175.800 -0.243 0.000 1.115 428 F CA -0.399 57.521 58.000 -0.133 0.000 1.355 428 F CB 0.284 39.164 39.000 -0.199 0.000 1.026 428 F HN -0.096 nan 8.300 nan 0.000 0.536 429 W N -0.292 120.965 121.300 -0.073 0.000 2.781 429 W HA 0.298 4.974 4.660 0.027 0.000 0.345 429 W C 1.583 178.038 176.519 -0.107 0.000 1.085 429 W CA -0.837 56.462 57.345 -0.076 0.000 1.198 429 W CB 1.003 30.433 29.460 -0.049 0.000 1.423 429 W HN -0.156 nan 8.180 nan 0.000 0.532 430 T N -1.674 112.976 114.554 0.160 0.000 2.833 430 T HA -0.131 4.235 4.350 0.026 0.000 0.269 430 T C 1.356 176.158 174.700 0.169 0.000 1.054 430 T CA 1.462 63.638 62.100 0.127 0.000 1.135 430 T CB -0.247 68.718 68.868 0.162 0.000 0.869 430 T HN 0.451 nan 8.240 nan 0.000 0.466 431 A N 1.028 123.924 122.820 0.126 0.000 2.370 431 A HA 0.422 4.758 4.320 0.026 0.000 0.238 431 A C 1.050 178.519 177.584 -0.192 0.000 1.289 431 A CA 0.240 52.296 52.037 0.032 0.000 0.885 431 A CB -0.922 18.110 19.000 0.053 0.000 0.961 431 A HN 0.528 nan 8.150 nan 0.000 0.499 432 N N -0.306 118.196 118.700 -0.329 0.000 2.725 432 N HA -0.198 4.557 4.740 0.026 0.000 0.249 432 N C -0.103 175.284 175.510 -0.206 0.000 1.103 432 N CA 1.538 54.330 53.050 -0.429 0.000 0.707 432 N CB -1.271 36.693 38.487 -0.872 0.000 1.043 432 N HN 0.910 nan 8.380 nan 0.000 0.553 433 R N -2.577 117.828 120.500 -0.157 0.000 2.680 433 R HA 0.623 4.979 4.340 0.026 0.000 0.269 433 R C -1.103 174.849 176.300 -0.581 0.000 1.026 433 R CA -0.975 54.974 56.100 -0.251 0.000 0.889 433 R CB 0.847 31.022 30.300 -0.209 0.000 1.241 433 R HN -0.126 nan 8.270 nan 0.000 0.463 434 V N 2.153 121.645 119.914 -0.703 0.000 2.508 434 V HA 0.427 4.563 4.120 0.026 0.000 0.281 434 V C 0.843 176.238 176.094 -1.166 0.000 1.041 434 V CA 0.614 62.158 62.300 -1.261 0.000 1.016 434 V CB 0.822 32.327 31.823 -0.531 0.000 0.984 434 V HN 0.899 nan 8.190 nan 0.000 0.478 435 G N 2.694 110.336 108.800 -1.929 0.000 2.820 435 G HA2 0.525 4.500 3.960 0.026 0.000 0.291 435 G HA3 0.525 4.500 3.960 0.026 0.000 0.291 435 G C 0.647 175.310 174.900 -0.395 0.000 1.323 435 G CA 0.254 44.819 45.100 -0.891 0.000 1.055 435 G HN 0.709 nan 8.290 nan 0.000 0.520 436 T N -3.311 111.208 114.554 -0.058 0.000 3.069 436 T HA 0.501 4.867 4.350 0.026 0.000 0.252 436 T C 1.011 175.849 174.700 0.229 0.000 1.053 436 T CA 0.750 62.908 62.100 0.096 0.000 0.964 436 T CB -0.141 68.754 68.868 0.044 0.000 1.005 436 T HN 2.246 nan 8.240 nan 0.000 0.532 437 G N -0.330 108.672 108.800 0.335 0.000 2.629 437 G HA2 0.416 4.392 3.960 0.026 0.000 0.686 437 G HA3 0.416 4.392 3.960 0.026 0.000 0.686 437 G C 0.490 175.530 174.900 0.233 0.000 1.232 437 G CA -0.217 45.094 45.100 0.352 0.000 0.803 437 G HN 1.498 nan 8.290 nan 0.000 0.638 438 G N -0.378 108.552 108.800 0.217 0.000 2.143 438 G HA2 -0.038 3.937 3.960 0.026 0.000 0.248 438 G HA3 -0.038 3.937 3.960 0.026 0.000 0.248 438 G C 0.190 175.176 174.900 0.144 0.000 0.991 438 G CA 1.331 46.526 45.100 0.157 0.000 0.689 438 G HN 1.693 nan 8.290 nan 0.000 0.522 439 D N 0.428 120.935 120.400 0.179 0.000 2.359 439 D HA 0.435 5.091 4.640 0.026 0.000 0.230 439 D C -0.299 176.093 176.300 0.153 0.000 1.118 439 D CA -2.050 52.039 54.000 0.149 0.000 0.844 439 D CB 1.499 42.389 40.800 0.149 0.000 1.059 439 D HN 0.144 nan 8.370 nan 0.000 0.493 440 P HA -0.032 nan 4.420 nan 0.000 0.230 440 P C 0.213 177.583 177.300 0.117 0.000 1.158 440 P CA 0.480 63.646 63.100 0.110 0.000 0.769 440 P CB 0.533 32.282 31.700 0.081 0.000 0.807 441 N N -0.209 118.559 118.700 0.113 0.000 2.214 441 N HA 0.046 4.802 4.740 0.026 0.000 0.214 441 N C -0.109 175.481 175.510 0.133 0.000 1.132 441 N CA 0.193 53.309 53.050 0.110 0.000 0.856 441 N CB -0.060 38.475 38.487 0.079 0.000 1.020 441 N HN 0.121 nan 8.380 nan 0.000 0.509 442 N N 0.745 119.554 118.700 0.181 0.000 2.969 442 N HA 0.121 4.876 4.740 0.026 0.000 0.230 442 N C -1.403 174.351 175.510 0.406 0.000 1.397 442 N CA -0.235 52.969 53.050 0.256 0.000 0.762 442 N CB 0.544 39.142 38.487 0.185 0.000 1.495 442 N HN -0.117 nan 8.380 nan 0.000 0.583 443 R N 0.751 121.443 120.500 0.320 0.000 2.349 443 R HA 0.442 4.798 4.340 0.026 0.000 0.299 443 R C 0.639 176.923 176.300 -0.028 0.000 1.027 443 R CA -0.543 55.689 56.100 0.221 0.000 0.958 443 R CB 1.025 31.453 30.300 0.214 0.000 1.047 443 R HN 0.623 nan 8.270 nan 0.000 0.468 444 S N 1.211 116.547 115.700 -0.606 0.000 2.606 444 S HA -0.033 4.453 4.470 0.026 0.000 0.257 444 S C 1.386 175.598 174.600 -0.646 0.000 1.327 444 S CA -0.505 56.866 58.200 -1.381 0.000 0.984 444 S CB 1.166 63.355 63.200 -1.686 0.000 0.941 444 S HN 0.475 nan 8.310 nan 0.000 0.576 445 V N 0.964 120.418 119.914 -0.765 0.000 2.380 445 V HA -0.134 4.001 4.120 0.026 0.000 0.251 445 V C 1.765 177.668 176.094 -0.318 0.000 1.063 445 V CA 2.113 64.105 62.300 -0.513 0.000 1.055 445 V CB -1.187 30.299 31.823 -0.562 0.000 0.657 445 V HN 0.805 nan 8.190 nan 0.000 0.455 446 F N 0.677 120.532 119.950 -0.157 0.000 2.234 446 F HA 0.094 4.636 4.527 0.025 0.000 0.296 446 F C 2.427 178.026 175.800 -0.335 0.000 1.089 446 F CA 1.441 59.315 58.000 -0.209 0.000 1.343 446 F CB -0.840 38.041 39.000 -0.199 0.000 1.040 446 F HN 0.216 nan 8.300 nan 0.000 0.498 447 E N -0.839 119.341 120.200 -0.032 0.000 2.047 447 E HA -0.237 4.129 4.350 0.026 0.000 0.191 447 E C 1.945 178.618 176.600 0.122 0.000 0.987 447 E CA 1.268 57.697 56.400 0.047 0.000 0.799 447 E CB -0.457 29.293 29.700 0.083 0.000 0.752 447 E HN 0.521 nan 8.360 nan 0.000 0.449 448 W N 1.472 122.729 121.300 -0.071 0.000 2.358 448 W HA -0.214 4.461 4.660 0.025 0.000 0.303 448 W C 2.282 178.806 176.519 0.008 0.000 1.208 448 W CA 2.044 59.374 57.345 -0.024 0.000 1.274 448 W CB -0.179 29.246 29.460 -0.057 0.000 1.138 448 W HN 0.038 nan 8.180 nan 0.000 0.515 449 A N -0.441 122.547 122.820 0.280 0.000 1.902 449 A HA -0.254 4.082 4.320 0.026 0.000 0.217 449 A C 1.638 179.254 177.584 0.053 0.000 1.181 449 A CA 2.019 54.149 52.037 0.154 0.000 0.623 449 A CB -1.470 17.661 19.000 0.218 0.000 0.818 449 A HN 0.616 nan 8.150 nan 0.000 0.443 450 H N -0.458 118.658 119.070 0.076 0.000 2.353 450 H HA -0.156 4.415 4.556 0.026 0.000 0.298 450 H C 1.281 176.587 175.328 -0.036 0.000 1.103 450 H CA 1.074 57.148 56.048 0.044 0.000 1.293 450 H CB 0.025 29.829 29.762 0.070 0.000 1.372 450 H HN 0.417 nan 8.280 nan 0.000 0.501 451 D N 0.225 120.636 120.400 0.019 0.000 2.310 451 D HA -0.076 4.580 4.640 0.026 0.000 0.212 451 D C 1.399 177.578 176.300 -0.202 0.000 0.965 451 D CA 0.786 54.724 54.000 -0.104 0.000 0.879 451 D CB 0.058 40.760 40.800 -0.163 0.000 0.921 451 D HN 0.267 nan 8.370 nan 0.000 0.510 452 K N -0.282 119.959 120.400 -0.266 0.000 2.417 452 K HA 0.172 4.508 4.320 0.026 0.000 0.196 452 K C 1.046 177.608 176.600 -0.063 0.000 1.023 452 K CA 0.199 56.344 56.287 -0.236 0.000 1.122 452 K CB 0.804 33.082 32.500 -0.369 0.000 0.850 452 K HN 0.112 nan 8.250 nan 0.000 0.521 453 G N 1.733 110.528 108.800 -0.008 0.000 2.160 453 G HA2 -0.258 3.718 3.960 0.026 0.000 0.251 453 G HA3 -0.258 3.718 3.960 0.026 0.000 0.251 453 G C 0.061 174.993 174.900 0.053 0.000 1.008 453 G CA 0.221 45.351 45.100 0.049 0.000 0.724 453 G HN 0.221 nan 8.290 nan 0.000 0.514 454 L N -0.623 120.629 121.223 0.049 0.000 2.358 454 L HA 0.875 5.231 4.340 0.026 0.000 0.268 454 L C 0.842 177.765 176.870 0.088 0.000 1.032 454 L CA -1.341 53.492 54.840 -0.013 0.000 0.805 454 L CB 1.734 43.777 42.059 -0.027 0.000 1.253 454 L HN 0.240 nan 8.230 nan 0.000 0.452 455 V N -2.505 117.398 119.914 -0.017 0.000 3.074 455 V HA 0.726 4.862 4.120 0.026 0.000 0.314 455 V C -0.760 175.440 176.094 0.177 0.000 1.117 455 V CA -0.796 61.526 62.300 0.037 0.000 1.014 455 V CB 1.770 33.355 31.823 -0.398 0.000 1.057 455 V HN 0.864 nan 8.190 nan 0.000 0.438 456 C N 2.420 121.855 119.300 0.224 0.000 2.797 456 C HA 0.779 5.255 4.460 0.026 0.000 0.306 456 C C -0.255 174.722 174.990 -0.022 0.000 1.207 456 C CA -0.572 58.580 59.018 0.222 0.000 1.507 456 C CB 1.664 29.610 27.740 0.343 0.000 2.028 456 C HN 1.131 nan 8.230 nan 0.000 0.475 457 Q N 0.691 120.259 119.800 -0.387 0.000 2.248 457 Q HA 0.837 5.193 4.340 0.026 0.000 0.263 457 Q C -0.910 174.970 176.000 -0.200 0.000 1.007 457 Q CA -0.300 55.055 55.803 -0.747 0.000 0.877 457 Q CB 1.984 29.809 28.738 -1.521 0.000 1.315 457 Q HN 0.619 nan 8.270 nan 0.000 0.454 458 T N 0.782 115.280 114.554 -0.094 0.000 2.916 458 T HA 0.240 4.606 4.350 0.026 0.000 0.305 458 T C -1.130 173.563 174.700 -0.011 0.000 1.119 458 T CA -0.787 61.361 62.100 0.079 0.000 1.008 458 T CB 1.371 70.300 68.868 0.101 0.000 1.129 458 T HN 0.684 nan 8.240 nan 0.000 0.480 459 N N 4.509 123.091 118.700 -0.196 0.000 2.416 459 N HA 0.127 4.883 4.740 0.026 0.000 0.265 459 N C -0.805 174.429 175.510 -0.460 0.000 1.195 459 N CA 0.095 52.733 53.050 -0.686 0.000 0.943 459 N CB 0.074 37.862 38.487 -1.164 0.000 1.115 459 N HN 0.459 nan 8.380 nan 0.000 0.481 460 I N 3.066 123.425 120.570 -0.351 0.000 2.389 460 I HA 0.187 4.373 4.170 0.026 0.000 0.288 460 I C 0.896 176.975 176.117 -0.065 0.000 0.999 460 I CA -0.519 60.617 61.300 -0.272 0.000 1.129 460 I CB 1.042 38.898 38.000 -0.240 0.000 1.288 460 I HN 0.432 nan 8.210 nan 0.000 0.444 461 T N 1.467 116.027 114.554 0.009 0.000 2.938 461 T HA 0.345 4.710 4.350 0.026 0.000 0.285 461 T C 0.659 175.620 174.700 0.436 0.000 1.028 461 T CA -0.662 61.576 62.100 0.229 0.000 1.005 461 T CB 1.821 70.827 68.868 0.230 0.000 1.157 461 T HN 0.729 nan 8.240 nan 0.000 0.550 462 C N 0.026 119.600 119.300 0.457 0.000 2.470 462 C HA 0.588 5.064 4.460 0.026 0.000 0.311 462 C C -0.091 175.035 174.990 0.226 0.000 1.387 462 C CA -1.250 57.953 59.018 0.308 0.000 1.783 462 C CB -2.628 25.176 27.740 0.107 0.000 2.416 462 C HN 0.611 nan 8.230 nan 0.000 0.558 463 F N 2.372 122.370 119.950 0.079 0.000 2.404 463 F HA 0.496 5.039 4.527 0.027 0.000 0.358 463 F C 0.292 176.041 175.800 -0.084 0.000 1.120 463 F CA -0.705 57.184 58.000 -0.186 0.000 1.144 463 F CB 0.891 39.815 39.000 -0.127 0.000 1.133 463 F HN 0.002 nan 8.300 nan 0.000 0.495 464 L N 4.779 125.978 121.223 -0.039 0.000 2.264 464 L HA 0.325 4.681 4.340 0.026 0.000 0.287 464 L C 0.427 177.381 176.870 0.140 0.000 1.039 464 L CA -0.450 54.498 54.840 0.179 0.000 0.829 464 L CB 0.679 42.848 42.059 0.183 0.000 1.211 464 L HN 0.631 nan 8.230 nan 0.000 0.427 465 R N 2.153 122.804 120.500 0.252 0.000 2.537 465 R HA -0.116 4.240 4.340 0.026 0.000 0.281 465 R C 0.720 177.101 176.300 0.135 0.000 0.988 465 R CA 0.530 56.693 56.100 0.104 0.000 1.077 465 R CB 0.466 30.754 30.300 -0.021 0.000 0.932 465 R HN 0.612 nan 8.270 nan 0.000 0.409 466 N N 1.251 119.973 118.700 0.037 0.000 2.332 466 N HA -0.045 4.711 4.740 0.026 0.000 0.190 466 N C -1.056 174.467 175.510 0.021 0.000 1.117 466 N CA 0.213 53.273 53.050 0.016 0.000 0.883 466 N CB 0.523 38.985 38.487 -0.042 0.000 1.089 466 N HN 0.683 nan 8.380 nan 0.000 0.480 467 D N -0.091 120.322 120.400 0.021 0.000 2.524 467 D HA 0.141 4.797 4.640 0.026 0.000 0.222 467 D C -0.423 175.887 176.300 0.017 0.000 1.142 467 D CA -0.254 53.757 54.000 0.020 0.000 0.973 467 D CB -0.069 40.748 40.800 0.028 0.000 1.025 467 D HN 0.038 nan 8.370 nan 0.000 0.519 468 N N 1.537 120.253 118.700 0.027 0.000 2.203 468 N HA -0.044 4.712 4.740 0.026 0.000 0.207 468 N C -0.323 175.197 175.510 0.016 0.000 1.130 468 N CA -0.138 52.928 53.050 0.026 0.000 0.861 468 N CB 0.323 38.853 38.487 0.072 0.000 1.005 468 N HN 0.508 nan 8.380 nan 0.000 0.507 469 E N 0.216 120.424 120.200 0.012 0.000 2.199 469 E HA -0.270 4.096 4.350 0.026 0.000 0.208 469 E C 0.786 177.391 176.600 0.009 0.000 1.310 469 E CA 0.355 56.760 56.400 0.008 0.000 0.709 469 E CB -1.780 27.923 29.700 0.004 0.000 1.127 469 E HN 0.512 nan 8.360 nan 0.000 0.354 470 G N -0.460 108.347 108.800 0.013 0.000 2.220 470 G HA2 -0.368 3.608 3.960 0.026 0.000 0.269 470 G HA3 -0.368 3.608 3.960 0.026 0.000 0.269 470 G C 0.287 175.198 174.900 0.018 0.000 0.977 470 G CA 0.682 45.790 45.100 0.013 0.000 0.634 470 G HN 0.310 nan 8.290 nan 0.000 0.539 471 Q N 1.377 121.190 119.800 0.022 0.000 2.327 471 Q HA 0.341 4.697 4.340 0.026 0.000 0.254 471 Q C -0.117 175.916 176.000 0.056 0.000 0.952 471 Q CA -0.205 55.614 55.803 0.027 0.000 0.884 471 Q CB 0.707 29.454 28.738 0.015 0.000 1.224 471 Q HN 0.424 nan 8.270 nan 0.000 0.422 472 D N 1.738 122.172 120.400 0.057 0.000 2.390 472 D HA 0.053 4.709 4.640 0.026 0.000 0.249 472 D C -0.575 175.824 176.300 0.165 0.000 1.144 472 D CA 0.328 54.377 54.000 0.082 0.000 0.880 472 D CB 0.304 41.137 40.800 0.054 0.000 1.182 472 D HN 0.313 nan 8.370 nan 0.000 0.451 473 Y N 2.297 122.602 120.300 0.009 0.000 2.445 473 Y HA 0.094 4.660 4.550 0.026 0.000 0.332 473 Y C 0.900 176.820 175.900 0.033 0.000 1.037 473 Y CA -0.955 57.156 58.100 0.018 0.000 1.296 473 Y CB 0.686 39.157 38.460 0.019 0.000 1.099 473 Y HN 0.376 nan 8.280 nan 0.000 0.496 474 E N 2.781 122.972 120.200 -0.016 0.000 2.118 474 E HA -0.121 4.245 4.350 0.026 0.000 0.195 474 E C 1.193 177.657 176.600 -0.227 0.000 0.992 474 E CA 1.698 58.040 56.400 -0.098 0.000 0.804 474 E CB 0.410 30.091 29.700 -0.032 0.000 0.741 474 E HN 0.627 nan 8.360 nan 0.000 0.458 475 V N 2.296 121.920 119.914 -0.483 0.000 2.295 475 V HA -0.263 3.873 4.120 0.026 0.000 0.246 475 V C 2.566 178.518 176.094 -0.238 0.000 1.049 475 V CA 2.021 64.099 62.300 -0.370 0.000 1.024 475 V CB -0.793 30.808 31.823 -0.369 0.000 0.648 475 V HN 0.379 nan 8.190 nan 0.000 0.447 476 N N -0.253 118.030 118.700 -0.695 0.000 2.188 476 N HA -0.214 4.541 4.740 0.026 0.000 0.184 476 N C 2.009 177.437 175.510 -0.137 0.000 1.018 476 N CA 1.414 54.297 53.050 -0.280 0.000 0.858 476 N CB -0.100 38.278 38.487 -0.181 0.000 0.989 476 N HN 0.469 nan 8.380 nan 0.000 0.426 477 Q N 0.683 120.400 119.800 -0.137 0.000 2.050 477 Q HA -0.117 4.239 4.340 0.026 0.000 0.202 477 Q C 1.905 177.887 176.000 -0.030 0.000 0.980 477 Q CA 2.240 58.006 55.803 -0.061 0.000 0.840 477 Q CB -0.588 28.125 28.738 -0.041 0.000 0.898 477 Q HN 0.617 nan 8.270 nan 0.000 0.424 478 T N -0.760 113.804 114.554 0.017 0.000 2.821 478 T HA -0.141 4.224 4.350 0.026 0.000 0.267 478 T C 2.003 176.656 174.700 -0.078 0.000 1.046 478 T CA 1.099 63.237 62.100 0.064 0.000 1.139 478 T CB -0.482 68.534 68.868 0.245 0.000 0.871 478 T HN 0.200 nan 8.240 nan 0.000 0.454 479 L N 1.073 122.208 121.223 -0.147 0.000 2.042 479 L HA 0.009 4.365 4.340 0.026 0.000 0.210 479 L C 2.831 179.624 176.870 -0.128 0.000 1.076 479 L CA 1.668 56.230 54.840 -0.463 0.000 0.749 479 L CB -0.439 41.385 42.059 -0.392 0.000 0.893 479 L HN 0.149 nan 8.230 nan 0.000 0.432 480 R N -0.844 119.643 120.500 -0.022 0.000 2.062 480 R HA -0.149 4.207 4.340 0.026 0.000 0.231 480 R C 2.322 178.678 176.300 0.094 0.000 1.136 480 R CA 1.376 57.530 56.100 0.090 0.000 0.948 480 R CB -0.566 29.705 30.300 -0.049 0.000 0.845 480 R HN 0.375 nan 8.270 nan 0.000 0.430 481 E N 1.215 121.415 120.200 0.001 0.000 2.058 481 E HA -0.185 4.181 4.350 0.026 0.000 0.194 481 E C 1.656 178.231 176.600 -0.041 0.000 0.997 481 E CA 1.433 57.826 56.400 -0.011 0.000 0.801 481 E CB 0.087 29.778 29.700 -0.014 0.000 0.746 481 E HN 0.247 nan 8.360 nan 0.000 0.450 482 R N 0.243 120.685 120.500 -0.096 0.000 2.313 482 R HA 0.079 4.435 4.340 0.026 0.000 0.199 482 R C 0.222 176.400 176.300 -0.204 0.000 0.958 482 R CA 0.033 56.047 56.100 -0.143 0.000 1.047 482 R CB 0.036 30.226 30.300 -0.183 0.000 0.955 482 R HN 0.227 nan 8.270 nan 0.000 0.481 483 Q N 0.425 120.108 119.800 -0.195 0.000 2.439 483 Q HA -0.191 4.165 4.340 0.026 0.000 0.325 483 Q C 0.094 175.761 176.000 -0.555 0.000 1.372 483 Q CA 0.372 55.934 55.803 -0.401 0.000 0.909 483 Q CB -1.332 27.215 28.738 -0.319 0.000 1.167 483 Q HN 0.472 nan 8.270 nan 0.000 0.418 484 L N -0.506 120.405 121.223 -0.521 0.000 2.640 484 L HA 0.136 4.492 4.340 0.026 0.000 0.230 484 L C 0.683 177.272 176.870 -0.468 0.000 1.123 484 L CA -0.245 54.285 54.840 -0.516 0.000 0.900 484 L CB -0.086 41.574 42.059 -0.665 0.000 1.146 484 L HN 0.325 nan 8.230 nan 0.000 0.484 485 Y N -1.591 118.531 120.300 -0.297 0.000 2.301 485 Y HA 0.438 5.004 4.550 0.026 0.000 0.325 485 Y C 0.678 176.508 175.900 -0.118 0.000 1.203 485 Y CA -1.337 56.639 58.100 -0.207 0.000 1.255 485 Y CB -0.233 38.142 38.460 -0.142 0.000 1.232 485 Y HN -0.200 nan 8.280 nan 0.000 0.501 486 T N 5.008 119.625 114.554 0.104 0.000 2.902 486 T HA 0.079 4.445 4.350 0.026 0.000 0.301 486 T C 0.207 175.045 174.700 0.230 0.000 1.012 486 T CA -0.588 61.545 62.100 0.055 0.000 1.151 486 T CB 0.133 69.005 68.868 0.007 0.000 0.946 486 T HN 0.461 nan 8.240 nan 0.000 0.542 487 K N 2.784 123.252 120.400 0.114 0.000 2.155 487 K HA 0.163 4.498 4.320 0.026 0.000 0.237 487 K C 0.996 177.761 176.600 0.275 0.000 1.040 487 K CA -0.640 55.771 56.287 0.206 0.000 0.912 487 K CB 0.287 32.840 32.500 0.088 0.000 1.137 487 K HN 0.636 nan 8.250 nan 0.000 0.498 488 N N 0.617 119.493 118.700 0.295 0.000 2.376 488 N HA 0.027 4.783 4.740 0.026 0.000 0.249 488 N C -0.898 174.848 175.510 0.394 0.000 1.140 488 N CA -0.176 53.131 53.050 0.428 0.000 0.870 488 N CB 0.031 38.705 38.487 0.313 0.000 1.124 488 N HN 0.237 nan 8.380 nan 0.000 0.505 489 D N 0.322 120.891 120.400 0.282 0.000 2.253 489 D HA 0.404 5.060 4.640 0.026 0.000 0.249 489 D C 0.170 176.609 176.300 0.233 0.000 1.049 489 D CA -0.010 54.097 54.000 0.178 0.000 0.929 489 D CB 1.767 42.617 40.800 0.083 0.000 1.176 489 D HN 0.428 nan 8.370 nan 0.000 0.437 490 S N -0.327 115.440 115.700 0.111 0.000 2.625 490 S HA 0.391 4.877 4.470 0.026 0.000 0.271 490 S C 0.226 174.842 174.600 0.026 0.000 1.161 490 S CA -0.815 57.434 58.200 0.081 0.000 0.820 490 S CB 0.730 63.966 63.200 0.060 0.000 1.137 490 S HN 0.301 nan 8.310 nan 0.000 0.470 491 L N 0.809 122.055 121.223 0.037 0.000 2.592 491 L HA 0.183 4.539 4.340 0.026 0.000 0.227 491 L C 1.801 178.711 176.870 0.067 0.000 1.127 491 L CA 0.830 55.715 54.840 0.074 0.000 0.884 491 L CB -0.352 41.798 42.059 0.152 0.000 1.065 491 L HN 1.005 nan 8.230 nan 0.000 0.457 492 T N -4.799 109.760 114.554 0.009 0.000 3.054 492 T HA 0.235 4.601 4.350 0.026 0.000 0.255 492 T C 1.407 176.071 174.700 -0.060 0.000 1.035 492 T CA 0.364 62.460 62.100 -0.007 0.000 0.941 492 T CB 0.706 69.534 68.868 -0.065 0.000 1.026 492 T HN 0.286 nan 8.240 nan 0.000 0.533 493 G N 1.923 110.669 108.800 -0.090 0.000 2.249 493 G HA2 -0.253 3.723 3.960 0.026 0.000 0.273 493 G HA3 -0.253 3.723 3.960 0.026 0.000 0.273 493 G C 0.059 174.828 174.900 -0.218 0.000 1.036 493 G CA 0.266 45.291 45.100 -0.125 0.000 0.824 493 G HN 0.645 nan 8.290 nan 0.000 0.504 494 T N 0.804 115.146 114.554 -0.353 0.000 2.814 494 T HA 0.360 4.726 4.350 0.026 0.000 0.297 494 T C 0.152 174.379 174.700 -0.789 0.000 0.956 494 T CA 0.143 61.928 62.100 -0.524 0.000 1.123 494 T CB 1.462 69.983 68.868 -0.578 0.000 0.902 494 T HN 0.284 nan 8.240 nan 0.000 0.528 495 D N 2.657 122.756 120.400 -0.501 0.000 2.393 495 D HA 0.127 4.783 4.640 0.026 0.000 0.232 495 D C 0.195 176.294 176.300 -0.336 0.000 1.192 495 D CA -0.769 53.002 54.000 -0.383 0.000 0.882 495 D CB 0.092 40.776 40.800 -0.193 0.000 1.038 495 D HN 0.341 nan 8.370 nan 0.000 0.499 496 F N 2.349 122.235 119.950 -0.107 0.000 2.748 496 F HA 0.243 4.786 4.527 0.026 0.000 0.299 496 F C 1.850 177.565 175.800 -0.143 0.000 1.154 496 F CA 0.681 58.589 58.000 -0.153 0.000 1.446 496 F CB -0.471 38.401 39.000 -0.213 0.000 1.112 496 F HN 0.545 nan 8.300 nan 0.000 0.584 497 G N 0.473 109.290 108.800 0.029 0.000 2.555 497 G HA2 0.205 4.181 3.960 0.026 0.000 0.686 497 G HA3 0.205 4.181 3.960 0.026 0.000 0.686 497 G C -1.458 173.421 174.900 -0.035 0.000 1.275 497 G CA -0.649 44.451 45.100 0.001 0.000 0.871 497 G HN 0.093 nan 8.290 nan 0.000 0.603 498 M N 0.454 120.035 119.600 -0.033 0.000 2.465 498 M HA 0.776 5.271 4.480 0.026 0.000 0.284 498 M C 0.130 176.412 176.300 -0.030 0.000 1.212 498 M CA 0.015 55.295 55.300 -0.034 0.000 0.910 498 M CB 1.850 34.435 32.600 -0.025 0.000 1.725 498 M HN 1.907 nan 8.290 nan 0.000 0.477 499 T N -1.163 113.373 114.554 -0.030 0.000 2.927 499 T HA 0.564 4.930 4.350 0.026 0.000 0.286 499 T C 0.160 174.847 174.700 -0.021 0.000 1.040 499 T CA -0.567 61.520 62.100 -0.021 0.000 1.010 499 T CB 0.956 69.815 68.868 -0.015 0.000 1.177 499 T HN 0.600 nan 8.240 nan 0.000 0.546 500 D N 0.283 120.673 120.400 -0.015 0.000 2.263 500 D HA -0.053 4.602 4.640 0.026 0.000 0.208 500 D C 1.396 177.684 176.300 -0.019 0.000 0.971 500 D CA 0.864 54.855 54.000 -0.015 0.000 0.867 500 D CB -0.113 40.681 40.800 -0.010 0.000 0.929 500 D HN 0.558 nan 8.370 nan 0.000 0.492 501 D N 0.128 120.515 120.400 -0.022 0.000 2.224 501 D HA 0.021 4.677 4.640 0.026 0.000 0.205 501 D C 1.583 177.854 176.300 -0.049 0.000 0.965 501 D CA 1.097 55.080 54.000 -0.029 0.000 0.852 501 D CB 0.089 40.874 40.800 -0.025 0.000 0.947 501 D HN 0.232 nan 8.370 nan 0.000 0.494 502 G N 1.587 110.354 108.800 -0.055 0.000 2.601 502 G HA2 -0.251 3.724 3.960 0.026 0.000 0.261 502 G HA3 -0.251 3.724 3.960 0.026 0.000 0.261 502 G C -2.382 172.434 174.900 -0.140 0.000 1.289 502 G CA -0.373 44.681 45.100 -0.077 0.000 0.920 502 G HN 0.101 nan 8.290 nan 0.000 0.571 503 P HA 0.224 nan 4.420 nan 0.000 0.272 503 P C 1.151 178.410 177.300 -0.068 0.000 1.240 503 P CA 0.792 63.815 63.100 -0.128 0.000 0.791 503 P CB 0.777 32.380 31.700 -0.162 0.000 0.978 504 S N -0.438 115.250 115.700 -0.020 0.000 2.500 504 S HA -0.147 4.338 4.470 0.026 0.000 0.239 504 S C 0.907 175.525 174.600 0.030 0.000 0.989 504 S CA 1.180 59.380 58.200 -0.000 0.000 0.951 504 S CB -0.891 62.311 63.200 0.004 0.000 0.759 504 S HN 0.601 nan 8.310 nan 0.000 0.523 505 D N 0.785 121.224 120.400 0.066 0.000 2.479 505 D HA 0.423 5.078 4.640 0.026 0.000 0.218 505 D C 0.276 176.706 176.300 0.218 0.000 1.177 505 D CA -0.171 53.905 54.000 0.127 0.000 0.830 505 D CB -0.009 40.872 40.800 0.135 0.000 1.014 505 D HN 0.435 nan 8.370 nan 0.000 0.503 506 A N 0.319 123.215 122.820 0.127 0.000 2.304 506 A HA 0.449 4.785 4.320 0.026 0.000 0.301 506 A C -1.001 176.691 177.584 0.180 0.000 1.132 506 A CA -0.761 51.361 52.037 0.142 0.000 0.819 506 A CB 0.480 19.298 19.000 -0.303 0.000 1.094 506 A HN 0.294 nan 8.150 nan 0.000 0.492 507 Y N 2.203 122.608 120.300 0.175 0.000 2.436 507 Y HA 0.472 5.038 4.550 0.026 0.000 0.336 507 Y C -0.316 175.684 175.900 0.167 0.000 1.049 507 Y CA 0.147 58.346 58.100 0.166 0.000 1.294 507 Y CB 0.210 38.762 38.460 0.153 0.000 1.179 507 Y HN 0.464 nan 8.280 nan 0.000 0.520 508 I N 6.854 127.341 120.570 -0.137 0.000 2.362 508 I HA 0.484 4.670 4.170 0.026 0.000 0.289 508 I C 0.516 176.638 176.117 0.009 0.000 0.994 508 I CA -0.516 60.793 61.300 0.016 0.000 1.158 508 I CB 1.408 39.380 38.000 -0.046 0.000 1.315 508 I HN 0.759 nan 8.210 nan 0.000 0.451 509 G N 3.463 112.479 108.800 0.359 0.000 3.016 509 G HA2 0.552 4.528 3.960 0.026 0.000 0.270 509 G HA3 0.552 4.528 3.960 0.026 0.000 0.270 509 G C -1.809 173.286 174.900 0.325 0.000 1.352 509 G CA -0.353 44.965 45.100 0.363 0.000 1.060 509 G HN 0.592 nan 8.290 nan 0.000 0.538 510 H N -1.354 117.836 119.070 0.201 0.000 2.667 510 H HA 0.585 5.157 4.556 0.026 0.000 0.353 510 H C -1.323 174.105 175.328 0.168 0.000 1.072 510 H CA -0.585 55.544 56.048 0.135 0.000 1.214 510 H CB 1.885 31.669 29.762 0.036 0.000 1.600 510 H HN 0.409 nan 8.280 nan 0.000 0.527 511 L N 3.779 124.831 121.223 -0.285 0.000 2.282 511 L HA 0.405 4.761 4.340 0.026 0.000 0.288 511 L C -1.028 175.524 176.870 -0.529 0.000 1.033 511 L CA -0.193 54.353 54.840 -0.490 0.000 0.807 511 L CB 1.157 42.813 42.059 -0.673 0.000 1.209 511 L HN 0.713 nan 8.230 nan 0.000 0.423 512 D N 3.067 123.189 120.400 -0.463 0.000 2.476 512 D HA 0.204 4.860 4.640 0.026 0.000 0.251 512 D C -0.503 175.651 176.300 -0.245 0.000 1.291 512 D CA -0.128 53.734 54.000 -0.230 0.000 0.939 512 D CB 0.630 41.438 40.800 0.014 0.000 1.221 512 D HN 0.428 nan 8.370 nan 0.000 0.567 513 Y N 2.132 122.474 120.300 0.070 0.000 2.466 513 Y HA 0.402 4.968 4.550 0.026 0.000 0.272 513 Y C 1.585 177.653 175.900 0.281 0.000 1.169 513 Y CA 0.454 58.677 58.100 0.205 0.000 1.285 513 Y CB 0.214 38.874 38.460 0.332 0.000 1.078 513 Y HN 0.606 nan 8.280 nan 0.000 0.523 514 G N -0.581 108.385 108.800 0.277 0.000 2.733 514 G HA2 0.174 4.150 3.960 0.026 0.000 0.686 514 G HA3 0.174 4.150 3.960 0.026 0.000 0.686 514 G C 0.662 175.750 174.900 0.312 0.000 1.373 514 G CA -0.347 44.880 45.100 0.211 0.000 0.838 514 G HN 1.034 nan 8.290 nan 0.000 0.588 515 G N -0.933 108.002 108.800 0.226 0.000 2.179 515 G HA2 0.350 4.326 3.960 0.026 0.000 0.257 515 G HA3 0.350 4.326 3.960 0.026 0.000 0.257 515 G C 1.920 176.856 174.900 0.061 0.000 1.010 515 G CA 1.039 46.224 45.100 0.143 0.000 0.736 515 G HN 3.189 nan 8.290 nan 0.000 0.513 516 G N -2.845 106.008 108.800 0.088 0.000 2.175 516 G HA2 -0.068 3.907 3.960 0.026 0.000 0.244 516 G HA3 -0.068 3.907 3.960 0.026 0.000 0.244 516 G C 0.468 175.412 174.900 0.072 0.000 0.982 516 G CA 0.406 45.546 45.100 0.067 0.000 0.641 516 G HN 1.663 nan 8.290 nan 0.000 0.527 517 V N 2.785 122.764 119.914 0.108 0.000 2.326 517 V HA 0.507 4.642 4.120 0.026 0.000 0.249 517 V C 0.491 176.682 176.094 0.160 0.000 1.114 517 V CA 0.913 63.299 62.300 0.144 0.000 1.028 517 V CB 0.002 31.950 31.823 0.208 0.000 1.170 517 V HN 0.680 nan 8.190 nan 0.000 0.494 518 E N 3.901 124.138 120.200 0.062 0.000 2.430 518 E HA 0.811 5.177 4.350 0.026 0.000 0.279 518 E C -1.141 175.373 176.600 -0.144 0.000 1.003 518 E CA -0.967 55.390 56.400 -0.071 0.000 0.801 518 E CB 2.411 32.125 29.700 0.023 0.000 1.313 518 E HN 0.578 nan 8.360 nan 0.000 0.459 519 C N -0.455 118.605 119.300 -0.401 0.000 3.303 519 C HA 0.534 5.010 4.460 0.026 0.000 0.340 519 C C -1.190 173.576 174.990 -0.372 0.000 1.274 519 C CA -0.980 57.881 59.018 -0.263 0.000 1.234 519 C CB 0.849 28.512 27.740 -0.128 0.000 1.532 519 C HN 0.798 nan 8.230 nan 0.000 0.483 520 D N 0.904 121.273 120.400 -0.052 0.000 2.358 520 D HA 0.696 5.352 4.640 0.026 0.000 0.244 520 D C 0.219 176.509 176.300 -0.016 0.000 1.163 520 D CA 0.859 54.893 54.000 0.057 0.000 0.945 520 D CB 1.564 42.417 40.800 0.090 0.000 1.152 520 D HN 1.260 nan 8.370 nan 0.000 0.451 521 A N 0.712 123.505 122.820 -0.044 0.000 2.589 521 A HA 0.583 4.918 4.320 0.026 0.000 0.296 521 A C -1.153 176.160 177.584 -0.452 0.000 1.062 521 A CA -0.694 51.189 52.037 -0.257 0.000 0.686 521 A CB 0.847 19.644 19.000 -0.338 0.000 1.282 521 A HN 0.423 nan 8.150 nan 0.000 0.404 522 L N 0.200 121.135 121.223 -0.480 0.000 2.365 522 L HA 0.790 5.145 4.340 0.026 0.000 0.267 522 L C -0.939 175.467 176.870 -0.773 0.000 1.033 522 L CA -0.603 54.000 54.840 -0.396 0.000 0.802 522 L CB 1.139 43.077 42.059 -0.203 0.000 1.267 522 L HN 0.708 nan 8.230 nan 0.000 0.457 523 F N -0.680 119.229 119.950 -0.069 0.000 2.588 523 F HA 0.451 4.993 4.527 0.026 0.000 0.310 523 F C -2.421 173.254 175.800 -0.208 0.000 1.082 523 F CA -2.367 55.535 58.000 -0.163 0.000 0.929 523 F CB 1.456 40.306 39.000 -0.251 0.000 1.254 523 F HN 0.138 nan 8.300 nan 0.000 0.455 524 P HA 0.065 nan 4.420 nan 0.000 0.276 524 P C -0.781 176.101 177.300 -0.696 0.000 1.235 524 P CA -0.114 62.593 63.100 -0.656 0.000 0.772 524 P CB 0.619 31.541 31.700 -1.296 0.000 0.871 525 D N 2.749 122.883 120.400 -0.444 0.000 2.508 525 D HA 0.040 4.696 4.640 0.026 0.000 0.224 525 D C 0.495 176.649 176.300 -0.244 0.000 1.171 525 D CA -0.187 53.637 54.000 -0.293 0.000 1.006 525 D CB -0.302 40.363 40.800 -0.225 0.000 1.073 525 D HN 0.313 nan 8.370 nan 0.000 0.513 526 W N 2.114 123.362 121.300 -0.086 0.000 2.331 526 W HA -0.107 4.569 4.660 0.026 0.000 0.291 526 W C 2.415 178.886 176.519 -0.079 0.000 1.214 526 W CA 0.774 58.057 57.345 -0.104 0.000 1.228 526 W CB -0.147 29.206 29.460 -0.178 0.000 1.135 526 W HN 0.472 nan 8.180 nan 0.000 0.537 527 G N 0.162 109.035 108.800 0.122 0.000 2.534 527 G HA2 -0.097 3.879 3.960 0.026 0.000 0.217 527 G HA3 -0.097 3.879 3.960 0.026 0.000 0.217 527 G C 0.766 175.685 174.900 0.032 0.000 1.128 527 G CA -0.314 44.824 45.100 0.063 0.000 0.784 527 G HN 0.058 nan 8.290 nan 0.000 0.542 528 R N 1.183 121.678 120.500 -0.007 0.000 2.590 528 R HA 0.193 4.549 4.340 0.026 0.000 0.274 528 R C -2.174 174.128 176.300 0.004 0.000 1.061 528 R CA -1.259 54.822 56.100 -0.033 0.000 1.081 528 R CB 0.279 30.519 30.300 -0.099 0.000 0.984 528 R HN 0.123 nan 8.270 nan 0.000 0.448 529 P HA 0.014 nan 4.420 nan 0.000 0.271 529 P C -0.622 176.688 177.300 0.017 0.000 1.216 529 P CA 0.163 63.277 63.100 0.024 0.000 0.776 529 P CB 0.772 32.483 31.700 0.018 0.000 0.881 530 D N -0.115 120.318 120.400 0.054 0.000 1.921 530 D HA -0.157 4.498 4.640 0.026 0.000 0.182 530 D C 1.398 177.775 176.300 0.128 0.000 1.254 530 D CA 1.141 55.184 54.000 0.071 0.000 1.227 530 D CB -1.724 39.085 40.800 0.016 0.000 1.296 530 D HN 0.145 nan 8.370 nan 0.000 0.577 531 V N 0.969 120.938 119.914 0.092 0.000 2.295 531 V HA -0.206 3.930 4.120 0.026 0.000 0.246 531 V C 2.693 179.008 176.094 0.369 0.000 1.049 531 V CA 2.728 65.104 62.300 0.127 0.000 1.024 531 V CB -0.754 31.041 31.823 -0.046 0.000 0.648 531 V HN 0.492 nan 8.190 nan 0.000 0.447 532 A N 0.005 123.039 122.820 0.356 0.000 1.902 532 A HA -0.273 4.063 4.320 0.026 0.000 0.217 532 A C 2.204 180.017 177.584 0.383 0.000 1.181 532 A CA 2.154 54.453 52.037 0.437 0.000 0.623 532 A CB -0.517 18.653 19.000 0.283 0.000 0.818 532 A HN 0.603 nan 8.150 nan 0.000 0.443 533 E N -1.010 119.353 120.200 0.273 0.000 2.051 533 E HA -0.225 4.141 4.350 0.026 0.000 0.192 533 E C 1.711 178.440 176.600 0.216 0.000 0.991 533 E CA 1.664 58.184 56.400 0.201 0.000 0.799 533 E CB -0.519 29.270 29.700 0.149 0.000 0.748 533 E HN 0.697 nan 8.360 nan 0.000 0.449 534 W N 0.680 122.036 121.300 0.095 0.000 2.335 534 W HA -0.207 4.468 4.660 0.026 0.000 0.311 534 W C 2.122 178.695 176.519 0.091 0.000 1.213 534 W CA 2.213 59.591 57.345 0.054 0.000 1.274 534 W CB -0.763 28.716 29.460 0.032 0.000 1.148 534 W HN 0.299 nan 8.180 nan 0.000 0.498 535 W N 1.368 122.691 121.300 0.039 0.000 2.332 535 W HA -0.191 4.485 4.660 0.026 0.000 0.321 535 W C 2.133 178.571 176.519 -0.135 0.000 1.219 535 W CA 2.256 59.505 57.345 -0.160 0.000 1.277 535 W CB -1.073 28.621 29.460 0.389 0.000 1.161 535 W HN 0.058 nan 8.180 nan 0.000 0.476 536 G N 0.787 109.636 108.800 0.081 0.000 2.442 536 G HA2 -0.352 3.624 3.960 0.026 0.000 0.219 536 G HA3 -0.352 3.624 3.960 0.026 0.000 0.219 536 G C 1.303 176.121 174.900 -0.136 0.000 1.141 536 G CA 1.215 46.315 45.100 -0.001 0.000 0.763 536 G HN 0.240 nan 8.290 nan 0.000 0.554 537 N N 1.238 119.806 118.700 -0.219 0.000 2.205 537 N HA -0.084 4.671 4.740 0.026 0.000 0.186 537 N C 1.943 177.157 175.510 -0.493 0.000 1.015 537 N CA 0.669 53.556 53.050 -0.273 0.000 0.862 537 N CB -0.341 38.016 38.487 -0.218 0.000 0.986 537 N HN 0.234 nan 8.380 nan 0.000 0.429 538 N N 0.179 118.349 118.700 -0.884 0.000 2.272 538 N HA -0.143 4.613 4.740 0.026 0.000 0.185 538 N C 1.265 176.028 175.510 -1.245 0.000 1.014 538 N CA 0.672 52.895 53.050 -1.378 0.000 0.870 538 N CB -0.350 36.636 38.487 -2.502 0.000 0.975 538 N HN 0.439 nan 8.380 nan 0.000 0.433 539 Y N 1.458 121.204 120.300 -0.923 0.000 2.421 539 Y HA -0.022 4.543 4.550 0.026 0.000 0.292 539 Y C 2.152 177.577 175.900 -0.791 0.000 1.136 539 Y CA 0.760 58.371 58.100 -0.814 0.000 1.255 539 Y CB 0.040 37.907 38.460 -0.990 0.000 0.991 539 Y HN -0.002 nan 8.280 nan 0.000 0.552 540 K N 0.423 120.620 120.400 -0.339 0.000 2.113 540 K HA -0.236 4.099 4.320 0.026 0.000 0.208 540 K C 1.786 178.329 176.600 -0.094 0.000 1.047 540 K CA 1.689 57.899 56.287 -0.129 0.000 0.928 540 K CB -0.176 32.275 32.500 -0.081 0.000 0.716 540 K HN 0.309 nan 8.250 nan 0.000 0.446 541 K N 0.467 120.768 120.400 -0.166 0.000 2.280 541 K HA -0.090 4.246 4.320 0.026 0.000 0.202 541 K C 1.875 178.496 176.600 0.035 0.000 1.047 541 K CA 0.921 57.177 56.287 -0.052 0.000 0.942 541 K CB 0.077 32.531 32.500 -0.078 0.000 0.739 541 K HN 0.124 nan 8.250 nan 0.000 0.457 542 L N -1.306 119.893 121.223 -0.039 0.000 2.349 542 L HA 0.056 4.412 4.340 0.026 0.000 0.200 542 L C 1.747 178.686 176.870 0.114 0.000 1.064 542 L CA 0.113 54.963 54.840 0.017 0.000 0.821 542 L CB -0.187 41.814 42.059 -0.097 0.000 1.027 542 L HN 0.011 nan 8.230 nan 0.000 0.476 543 F N 1.077 121.060 119.950 0.055 0.000 2.126 543 F HA -0.212 4.330 4.527 0.026 0.000 0.299 543 F C 2.948 178.797 175.800 0.082 0.000 1.096 543 F CA 1.325 59.357 58.000 0.052 0.000 1.255 543 F CB -1.434 37.606 39.000 0.066 0.000 0.997 543 F HN 0.160 nan 8.300 nan 0.000 0.479 544 S N 0.455 116.317 115.700 0.271 0.000 2.555 544 S HA -0.065 4.420 4.470 0.026 0.000 0.230 544 S C 1.393 176.128 174.600 0.226 0.000 0.978 544 S CA 0.806 59.133 58.200 0.211 0.000 0.934 544 S CB -1.216 62.078 63.200 0.157 0.000 0.766 544 S HN 0.584 nan 8.310 nan 0.000 0.533 545 I N -3.608 117.114 120.570 0.253 0.000 3.974 545 I HA 0.684 4.870 4.170 0.026 0.000 0.334 545 I C 1.151 177.431 176.117 0.271 0.000 1.437 545 I CA -0.057 61.410 61.300 0.279 0.000 1.113 545 I CB 0.161 38.368 38.000 0.345 0.000 1.063 545 I HN 0.266 nan 8.210 nan 0.000 0.400 546 G N 1.652 110.600 108.800 0.246 0.000 2.192 546 G HA2 -0.205 3.771 3.960 0.026 0.000 0.193 546 G HA3 -0.205 3.771 3.960 0.026 0.000 0.193 546 G C -0.141 174.795 174.900 0.061 0.000 0.999 546 G CA -0.100 45.136 45.100 0.227 0.000 0.659 546 G HN 0.336 nan 8.290 nan 0.000 0.503 547 L N 1.761 122.874 121.223 -0.183 0.000 2.499 547 L HA 0.417 4.772 4.340 0.026 0.000 0.273 547 L C 1.027 177.885 176.870 -0.020 0.000 1.195 547 L CA 0.912 55.433 54.840 -0.531 0.000 0.882 547 L CB 0.468 42.190 42.059 -0.561 0.000 1.133 547 L HN 0.208 nan 8.230 nan 0.000 0.483 548 D N 4.654 125.068 120.400 0.023 0.000 2.269 548 D HA 0.094 4.750 4.640 0.026 0.000 0.220 548 D C 0.101 176.613 176.300 0.354 0.000 0.962 548 D CA 1.390 55.522 54.000 0.220 0.000 0.884 548 D CB 0.228 41.151 40.800 0.205 0.000 1.023 548 D HN 0.508 nan 8.370 nan 0.000 0.484 549 F N -0.853 119.120 119.950 0.038 0.000 2.754 549 F HA 0.614 5.156 4.527 0.025 0.000 0.320 549 F C -1.309 174.541 175.800 0.084 0.000 1.156 549 F CA -1.340 56.717 58.000 0.094 0.000 0.950 549 F CB 1.335 40.434 39.000 0.164 0.000 1.388 549 F HN -0.417 nan 8.300 nan 0.000 0.485 550 V N 1.232 121.167 119.914 0.035 0.000 2.513 550 V HA 0.227 4.362 4.120 0.026 0.000 0.299 550 V C -1.610 174.432 176.094 -0.086 0.000 1.035 550 V CA -0.385 61.913 62.300 -0.003 0.000 0.889 550 V CB 1.625 33.522 31.823 0.123 0.000 0.988 550 V HN 0.780 nan 8.190 nan 0.000 0.440 551 W N 5.112 126.229 121.300 -0.305 0.000 2.338 551 W HA 0.606 5.282 4.660 0.028 0.000 0.315 551 W C -0.427 176.014 176.519 -0.130 0.000 1.005 551 W CA -1.390 55.751 57.345 -0.340 0.000 1.380 551 W CB 1.136 30.293 29.460 -0.506 0.000 1.235 551 W HN 0.589 nan 8.180 nan 0.000 0.409 552 Q N 4.308 124.210 119.800 0.171 0.000 2.331 552 Q HA 0.265 4.621 4.340 0.026 0.000 0.257 552 Q C -0.880 175.212 176.000 0.154 0.000 0.957 552 Q CA 0.283 56.158 55.803 0.119 0.000 0.923 552 Q CB 0.897 29.717 28.738 0.137 0.000 1.212 552 Q HN 0.400 nan 8.270 nan 0.000 0.443 553 D N 2.854 123.263 120.400 0.015 0.000 2.477 553 D HA 0.353 5.009 4.640 0.026 0.000 0.234 553 D C -0.246 176.087 176.300 0.054 0.000 1.048 553 D CA -0.291 53.724 54.000 0.024 0.000 0.959 553 D CB 1.022 41.692 40.800 -0.217 0.000 1.408 553 D HN 0.615 nan 8.370 nan 0.000 0.496 554 M N 0.800 120.428 119.600 0.046 0.000 2.249 554 M HA -0.174 4.322 4.480 0.026 0.000 0.198 554 M C 0.867 177.292 176.300 0.208 0.000 0.394 554 M CA 0.832 56.189 55.300 0.095 0.000 0.427 554 M CB -3.128 29.466 32.600 -0.009 0.000 1.307 554 M HN 0.534 nan 8.290 nan 0.000 0.924 555 T N -4.808 109.828 114.554 0.138 0.000 3.107 555 T HA 0.256 4.622 4.350 0.026 0.000 0.249 555 T C 1.530 176.320 174.700 0.150 0.000 1.096 555 T CA 0.542 62.743 62.100 0.168 0.000 1.012 555 T CB 0.186 69.120 68.868 0.111 0.000 0.977 555 T HN 0.278 nan 8.240 nan 0.000 0.527 556 V N 2.278 122.208 119.914 0.027 0.000 2.282 556 V HA -0.004 4.132 4.120 0.026 0.000 0.249 556 V C -1.315 174.555 176.094 -0.372 0.000 1.057 556 V CA 1.265 63.494 62.300 -0.119 0.000 1.032 556 V CB -1.537 30.165 31.823 -0.201 0.000 0.645 556 V HN 0.518 nan 8.190 nan 0.000 0.447 557 P HA 0.230 nan 4.420 nan 0.000 0.276 557 P C -0.757 176.427 177.300 -0.194 0.000 1.230 557 P CA 0.138 63.029 63.100 -0.348 0.000 0.776 557 P CB 1.027 32.275 31.700 -0.753 0.000 0.888 558 A N 5.410 128.308 122.820 0.130 0.000 2.990 558 A HA 0.291 4.626 4.320 0.026 0.000 0.282 558 A C 0.711 178.374 177.584 0.130 0.000 1.688 558 A CA -0.388 51.667 52.037 0.030 0.000 1.391 558 A CB -1.042 17.965 19.000 0.011 0.000 1.112 558 A HN 0.473 nan 8.150 nan 0.000 0.588 559 M N 1.449 121.072 119.600 0.038 0.000 2.255 559 M HA 0.252 4.748 4.480 0.026 0.000 0.336 559 M C 0.669 176.973 176.300 0.007 0.000 1.135 559 M CA -0.018 55.344 55.300 0.104 0.000 1.145 559 M CB 0.799 33.359 32.600 -0.067 0.000 1.473 559 M HN 0.655 nan 8.290 nan 0.000 0.462 560 M N 4.407 124.051 119.600 0.073 0.000 2.251 560 M HA 0.102 4.598 4.480 0.026 0.000 0.343 560 M C -2.037 174.313 176.300 0.084 0.000 1.245 560 M CA -1.163 54.191 55.300 0.090 0.000 1.061 560 M CB 0.461 33.178 32.600 0.195 0.000 1.723 560 M HN 0.258 nan 8.290 nan 0.000 0.449 561 P HA -0.041 nan 4.420 nan 0.000 0.265 561 P C -1.380 176.075 177.300 0.259 0.000 1.187 561 P CA 0.728 63.913 63.100 0.142 0.000 0.766 561 P CB 0.270 32.166 31.700 0.326 0.000 0.820 562 H N 1.409 120.546 119.070 0.112 0.000 3.038 562 H HA 0.320 4.892 4.556 0.026 0.000 0.362 562 H C -1.314 174.244 175.328 0.383 0.000 1.167 562 H CA -0.817 55.346 56.048 0.192 0.000 1.197 562 H CB 2.263 32.109 29.762 0.140 0.000 1.840 562 H HN 0.359 nan 8.280 nan 0.000 0.540 563 K N 5.856 126.077 120.400 -0.300 0.000 2.323 563 K HA 0.244 4.580 4.320 0.026 0.000 0.259 563 K C -0.175 176.171 176.600 -0.423 0.000 0.947 563 K CA -0.791 55.417 56.287 -0.131 0.000 0.819 563 K CB 0.973 33.280 32.500 -0.322 0.000 1.109 563 K HN 0.389 nan 8.250 nan 0.000 0.429 564 I N 3.570 124.053 120.570 -0.144 0.000 2.906 564 I HA -0.114 4.072 4.170 0.026 0.000 0.302 564 I C 1.522 177.548 176.117 -0.151 0.000 1.220 564 I CA 1.976 63.173 61.300 -0.172 0.000 1.441 564 I CB -0.279 37.631 38.000 -0.150 0.000 1.336 564 I HN 1.143 nan 8.210 nan 0.000 0.565 565 G N 5.175 113.919 108.800 -0.095 0.000 2.279 565 G HA2 -0.191 3.785 3.960 0.026 0.000 0.223 565 G HA3 -0.191 3.785 3.960 0.026 0.000 0.223 565 G C 0.135 174.997 174.900 -0.063 0.000 1.015 565 G CA -0.178 44.875 45.100 -0.079 0.000 0.621 565 G HN 0.530 nan 8.290 nan 0.000 0.506 566 D N 1.840 122.178 120.400 -0.103 0.000 2.329 566 D HA 0.490 5.145 4.640 0.026 0.000 0.246 566 D C 0.239 176.635 176.300 0.160 0.000 1.111 566 D CA -0.403 53.575 54.000 -0.038 0.000 0.941 566 D CB 0.562 41.280 40.800 -0.137 0.000 1.169 566 D HN 0.160 nan 8.370 nan 0.000 0.441 567 D N 0.403 120.864 120.400 0.101 0.000 2.400 567 D HA 0.010 4.666 4.640 0.026 0.000 0.238 567 D C 1.591 177.967 176.300 0.126 0.000 1.157 567 D CA -0.064 53.987 54.000 0.085 0.000 0.889 567 D CB 0.707 41.514 40.800 0.010 0.000 1.199 567 D HN 0.293 nan 8.370 nan 0.000 0.436 568 I N 1.257 121.814 120.570 -0.021 0.000 2.264 568 I HA -0.317 3.869 4.170 0.026 0.000 0.248 568 I C 1.687 177.638 176.117 -0.276 0.000 1.111 568 I CA 1.097 62.271 61.300 -0.209 0.000 1.382 568 I CB -0.224 37.688 38.000 -0.146 0.000 1.060 568 I HN 0.368 nan 8.210 nan 0.000 0.418 569 N N 0.311 118.823 118.700 -0.314 0.000 2.322 569 N HA 0.013 4.768 4.740 0.026 0.000 0.194 569 N C -0.160 175.166 175.510 -0.306 0.000 1.126 569 N CA 0.174 52.828 53.050 -0.661 0.000 0.845 569 N CB -0.210 37.992 38.487 -0.475 0.000 0.976 569 N HN 0.047 nan 8.380 nan 0.000 0.475 570 V N 1.458 121.323 119.914 -0.082 0.000 2.435 570 V HA 0.275 4.411 4.120 0.026 0.000 0.290 570 V C 0.240 176.394 176.094 0.101 0.000 1.030 570 V CA -1.020 61.286 62.300 0.010 0.000 0.881 570 V CB 1.508 33.340 31.823 0.015 0.000 0.983 570 V HN 0.328 nan 8.190 nan 0.000 0.445 571 K N 5.113 125.562 120.400 0.081 0.000 2.123 571 K HA 0.761 5.096 4.320 0.026 0.000 0.248 571 K C -2.869 173.780 176.600 0.081 0.000 0.969 571 K CA -1.860 54.504 56.287 0.128 0.000 0.882 571 K CB 1.524 34.112 32.500 0.148 0.000 1.080 571 K HN 0.316 nan 8.250 nan 0.000 0.441 572 P HA 0.008 nan 4.420 nan 0.000 0.276 572 P C -0.815 176.537 177.300 0.086 0.000 1.252 572 P CA -0.379 62.739 63.100 0.030 0.000 0.802 572 P CB 0.366 32.124 31.700 0.098 0.000 1.035 573 D N 0.235 120.663 120.400 0.047 0.000 2.629 573 D HA -0.084 4.571 4.640 0.026 0.000 0.228 573 D C 1.506 177.919 176.300 0.188 0.000 1.127 573 D CA 0.849 54.911 54.000 0.103 0.000 0.855 573 D CB 0.656 41.509 40.800 0.088 0.000 1.180 573 D HN 0.511 nan 8.370 nan 0.000 0.484 574 G N 3.875 112.787 108.800 0.187 0.000 2.470 574 G HA2 -0.251 3.724 3.960 0.026 0.000 0.220 574 G HA3 -0.251 3.724 3.960 0.026 0.000 0.220 574 G C 1.353 176.476 174.900 0.371 0.000 1.121 574 G CA 0.056 45.306 45.100 0.250 0.000 0.766 574 G HN 0.507 nan 8.290 nan 0.000 0.553 575 N N -0.805 118.101 118.700 0.344 0.000 2.459 575 N HA -0.006 4.749 4.740 0.026 0.000 0.181 575 N C 0.002 175.646 175.510 0.222 0.000 1.046 575 N CA 0.118 53.406 53.050 0.396 0.000 0.904 575 N CB 0.038 38.726 38.487 0.334 0.000 0.964 575 N HN 0.541 nan 8.380 nan 0.000 0.444 576 W N 2.940 124.231 121.300 -0.014 0.000 2.469 576 W HA 0.370 5.045 4.660 0.026 0.000 0.320 576 W C -2.230 174.040 176.519 -0.414 0.000 1.086 576 W CA -1.721 55.528 57.345 -0.159 0.000 1.211 576 W CB 1.144 30.526 29.460 -0.131 0.000 1.298 576 W HN -0.102 nan 8.180 nan 0.000 0.525 577 P HA 0.366 nan 4.420 nan 0.000 0.281 577 P C -1.563 175.325 177.300 -0.687 0.000 1.281 577 P CA -0.364 61.754 63.100 -1.637 0.000 0.811 577 P CB 1.760 32.346 31.700 -1.857 0.000 1.154 578 N N -2.634 115.769 118.700 -0.494 0.000 2.934 578 N HA 0.482 5.238 4.740 0.026 0.000 0.253 578 N C 0.586 175.943 175.510 -0.255 0.000 1.466 578 N CA -0.808 52.063 53.050 -0.299 0.000 0.858 578 N CB -0.087 38.282 38.487 -0.198 0.000 1.459 578 N HN 0.165 nan 8.380 nan 0.000 0.532 579 A N -0.526 122.099 122.820 -0.325 0.000 1.978 579 A HA -0.179 4.156 4.320 0.026 0.000 0.220 579 A C 1.098 178.562 177.584 -0.199 0.000 1.170 579 A CA 1.872 53.690 52.037 -0.365 0.000 0.636 579 A CB -0.815 17.691 19.000 -0.823 0.000 0.810 579 A HN 0.734 nan 8.150 nan 0.000 0.448 580 D N -0.988 119.338 120.400 -0.122 0.000 2.289 580 D HA 0.008 4.663 4.640 0.026 0.000 0.207 580 D C -0.107 176.219 176.300 0.043 0.000 0.966 580 D CA 0.771 54.788 54.000 0.029 0.000 0.868 580 D CB 0.160 41.016 40.800 0.094 0.000 0.943 580 D HN 0.341 nan 8.370 nan 0.000 0.514 581 D N 0.355 120.760 120.400 0.008 0.000 2.552 581 D HA 0.160 4.816 4.640 0.026 0.000 0.285 581 D C -2.658 173.598 176.300 -0.074 0.000 1.206 581 D CA -1.801 52.247 54.000 0.080 0.000 0.826 581 D CB 1.544 42.478 40.800 0.224 0.000 1.179 581 D HN -0.048 nan 8.370 nan 0.000 0.508 582 P HA 0.051 nan 4.420 nan 0.000 0.274 582 P C 1.099 178.317 177.300 -0.137 0.000 1.256 582 P CA -0.224 62.799 63.100 -0.128 0.000 0.795 582 P CB 1.252 32.955 31.700 0.006 0.000 1.038 583 S N 1.197 116.783 115.700 -0.190 0.000 2.359 583 S HA -0.200 4.286 4.470 0.026 0.000 0.224 583 S C 0.772 175.514 174.600 0.237 0.000 1.035 583 S CA 1.413 59.561 58.200 -0.087 0.000 1.018 583 S CB -1.248 62.029 63.200 0.129 0.000 0.876 583 S HN 0.556 nan 8.310 nan 0.000 0.448 584 N N 0.906 119.747 118.700 0.236 0.000 2.727 584 N HA -0.178 4.578 4.740 0.026 0.000 0.249 584 N C 0.631 176.303 175.510 0.271 0.000 1.048 584 N CA 1.165 54.358 53.050 0.238 0.000 0.714 584 N CB -2.001 36.608 38.487 0.203 0.000 0.959 584 N HN 0.948 nan 8.380 nan 0.000 0.544 585 G N -0.859 108.144 108.800 0.340 0.000 2.153 585 G HA2 -0.365 3.611 3.960 0.026 0.000 0.252 585 G HA3 -0.365 3.611 3.960 0.026 0.000 0.252 585 G C 0.677 175.765 174.900 0.313 0.000 0.994 585 G CA 0.902 46.204 45.100 0.338 0.000 0.698 585 G HN 0.597 nan 8.290 nan 0.000 0.521 586 Q N -1.982 118.046 119.800 0.380 0.000 2.378 586 Q HA 0.282 4.638 4.340 0.026 0.000 0.229 586 Q C 0.613 176.956 176.000 0.573 0.000 0.882 586 Q CA -0.142 55.893 55.803 0.387 0.000 0.936 586 Q CB 0.830 29.804 28.738 0.393 0.000 1.092 586 Q HN 0.518 nan 8.270 nan 0.000 0.535 587 Y N 2.655 123.166 120.300 0.351 0.000 2.310 587 Y HA 0.103 4.669 4.550 0.026 0.000 0.326 587 Y C 0.827 176.785 175.900 0.097 0.000 1.151 587 Y CA -1.239 56.930 58.100 0.115 0.000 1.195 587 Y CB 0.745 38.854 38.460 -0.584 0.000 1.210 587 Y HN 0.096 nan 8.280 nan 0.000 0.483 588 N N 2.452 120.848 118.700 -0.508 0.000 2.336 588 N HA -0.100 4.656 4.740 0.026 0.000 0.189 588 N C -0.241 175.009 175.510 -0.433 0.000 1.113 588 N CA 0.119 52.819 53.050 -0.583 0.000 0.858 588 N CB -0.593 37.288 38.487 -1.011 0.000 0.970 588 N HN 0.808 nan 8.380 nan 0.000 0.471 589 W N 1.670 122.454 121.300 -0.861 0.000 6.170 589 W HA -0.261 4.414 4.660 0.026 0.000 0.394 589 W C -0.110 176.138 176.519 -0.451 0.000 1.480 589 W CA 0.648 57.768 57.345 -0.374 0.000 1.027 589 W CB -2.434 27.153 29.460 0.211 0.000 2.638 589 W HN 0.159 nan 8.180 nan 0.000 1.547 590 K N -1.687 118.433 120.400 -0.467 0.000 3.077 590 K HA -0.247 4.088 4.320 0.026 0.000 0.264 590 K C 0.371 176.739 176.600 -0.386 0.000 1.008 590 K CA 1.281 57.338 56.287 -0.383 0.000 0.740 590 K CB -1.345 30.904 32.500 -0.418 0.000 1.273 590 K HN 0.445 nan 8.250 nan 0.000 0.477 591 T N -2.157 112.175 114.554 -0.370 0.000 2.663 591 T HA 0.268 4.634 4.350 0.026 0.000 0.297 591 T C -1.373 173.053 174.700 -0.458 0.000 1.505 591 T CA -0.806 61.034 62.100 -0.432 0.000 1.024 591 T CB 0.307 68.928 68.868 -0.412 0.000 1.865 591 T HN 0.099 nan 8.240 nan 0.000 0.453 592 Y N 3.182 123.133 120.300 -0.581 0.000 2.881 592 Y HA 0.088 4.654 4.550 0.026 0.000 0.335 592 Y C 1.492 177.182 175.900 -0.350 0.000 1.263 592 Y CA 0.530 58.242 58.100 -0.647 0.000 1.572 592 Y CB -0.260 37.746 38.460 -0.756 0.000 1.237 592 Y HN 0.389 nan 8.280 nan 0.000 0.568 593 H N 6.641 125.744 119.070 0.055 0.000 3.167 593 H HA -0.056 4.516 4.556 0.027 0.000 0.306 593 H C -1.400 173.944 175.328 0.027 0.000 0.965 593 H CA -0.638 55.486 56.048 0.127 0.000 1.408 593 H CB 0.682 30.632 29.762 0.313 0.000 1.406 593 H HN 0.500 nan 8.280 nan 0.000 0.576 594 P HA -0.066 nan 4.420 nan 0.000 0.237 594 P C 0.754 178.118 177.300 0.106 0.000 1.178 594 P CA 0.707 63.910 63.100 0.173 0.000 0.766 594 P CB 0.436 32.344 31.700 0.348 0.000 0.876 595 Q N -0.368 119.431 119.800 -0.001 0.000 2.297 595 Q HA 0.012 4.368 4.340 0.026 0.000 0.204 595 Q C 1.009 177.035 176.000 0.044 0.000 0.962 595 Q CA 0.178 55.855 55.803 -0.209 0.000 0.879 595 Q CB -0.953 27.676 28.738 -0.181 0.000 0.947 595 Q HN 0.095 nan 8.270 nan 0.000 0.462 596 V N 1.474 121.375 119.914 -0.022 0.000 2.644 596 V HA -0.086 4.050 4.120 0.026 0.000 0.305 596 V C -0.149 175.830 176.094 -0.191 0.000 1.053 596 V CA 0.218 62.417 62.300 -0.169 0.000 1.186 596 V CB 0.165 31.607 31.823 -0.635 0.000 0.895 596 V HN 0.263 nan 8.190 nan 0.000 0.490 597 L N 8.025 129.192 121.223 -0.093 0.000 2.325 597 L HA 0.368 4.724 4.340 0.026 0.000 0.284 597 L C -0.081 176.676 176.870 -0.189 0.000 1.089 597 L CA -0.271 54.493 54.840 -0.126 0.000 0.836 597 L CB 1.122 43.150 42.059 -0.050 0.000 1.184 597 L HN 0.682 nan 8.230 nan 0.000 0.444 598 V N 0.020 119.793 119.914 -0.235 0.000 2.630 598 V HA 0.515 4.651 4.120 0.026 0.000 0.305 598 V C 0.406 176.416 176.094 -0.139 0.000 1.046 598 V CA -0.703 61.454 62.300 -0.238 0.000 0.934 598 V CB 1.507 33.138 31.823 -0.321 0.000 1.003 598 V HN 0.609 nan 8.190 nan 0.000 0.451 599 T N 2.861 117.351 114.554 -0.107 0.000 2.888 599 T HA 0.068 4.434 4.350 0.026 0.000 0.301 599 T C 0.028 174.712 174.700 -0.026 0.000 1.001 599 T CA 0.321 62.387 62.100 -0.056 0.000 1.147 599 T CB 0.066 68.903 68.868 -0.052 0.000 0.931 599 T HN 0.938 nan 8.240 nan 0.000 0.541 600 D N 2.499 122.906 120.400 0.011 0.000 2.472 600 D HA 0.004 4.660 4.640 0.026 0.000 0.248 600 D C 0.800 177.106 176.300 0.010 0.000 1.174 600 D CA 0.304 54.325 54.000 0.034 0.000 0.883 600 D CB 0.587 41.478 40.800 0.152 0.000 1.149 600 D HN 0.506 nan 8.370 nan 0.000 0.488 601 M N 3.099 122.671 119.600 -0.047 0.000 2.509 601 M HA 0.052 4.547 4.480 0.026 0.000 0.250 601 M C 1.735 177.940 176.300 -0.158 0.000 1.132 601 M CA 0.277 55.535 55.300 -0.070 0.000 1.080 601 M CB 0.445 32.998 32.600 -0.078 0.000 1.408 601 M HN 0.231 nan 8.290 nan 0.000 0.484 602 R N -0.680 119.661 120.500 -0.266 0.000 2.112 602 R HA 0.044 4.400 4.340 0.026 0.000 0.216 602 R C -0.378 175.541 176.300 -0.635 0.000 1.080 602 R CA 0.798 56.564 56.100 -0.556 0.000 0.996 602 R CB 0.267 30.056 30.300 -0.853 0.000 0.902 602 R HN 0.175 nan 8.270 nan 0.000 0.449 603 Y N 1.759 122.036 120.300 -0.038 0.000 2.329 603 Y HA 0.182 4.748 4.550 0.027 0.000 0.328 603 Y C -0.340 175.572 175.900 0.021 0.000 0.992 603 Y CA -1.789 56.280 58.100 -0.051 0.000 1.151 603 Y CB 0.977 39.328 38.460 -0.182 0.000 1.150 603 Y HN 0.038 nan 8.280 nan 0.000 0.450 604 E N 1.859 122.147 120.200 0.147 0.000 2.398 604 E HA 0.113 4.479 4.350 0.026 0.000 0.263 604 E C -0.451 176.233 176.600 0.141 0.000 1.046 604 E CA -0.386 56.084 56.400 0.116 0.000 0.908 604 E CB 0.334 30.082 29.700 0.081 0.000 0.963 604 E HN 0.812 nan 8.360 nan 0.000 0.431 605 N N 0.978 119.744 118.700 0.111 0.000 2.714 605 N HA -0.269 4.487 4.740 0.026 0.000 0.252 605 N C -0.439 175.161 175.510 0.149 0.000 1.014 605 N CA 0.619 53.726 53.050 0.096 0.000 0.735 605 N CB -0.925 37.605 38.487 0.072 0.000 0.924 605 N HN 0.636 nan 8.380 nan 0.000 0.540 606 H N -0.638 118.458 119.070 0.044 0.000 3.078 606 H HA 0.363 4.934 4.556 0.026 0.000 0.263 606 H C 0.923 176.269 175.328 0.030 0.000 1.177 606 H CA 1.177 57.248 56.048 0.039 0.000 1.128 606 H CB 0.527 30.335 29.762 0.077 0.000 1.623 606 H HN 0.544 nan 8.280 nan 0.000 0.592 607 G N 0.615 109.408 108.800 -0.011 0.000 2.472 607 G HA2 -0.166 3.810 3.960 0.026 0.000 0.205 607 G HA3 -0.166 3.810 3.960 0.026 0.000 0.205 607 G C -1.038 173.851 174.900 -0.018 0.000 1.270 607 G CA -0.567 44.500 45.100 -0.055 0.000 0.974 607 G HN 0.381 nan 8.290 nan 0.000 0.542 608 R N 0.200 120.679 120.500 -0.034 0.000 2.778 608 R HA 0.731 5.087 4.340 0.026 0.000 0.277 608 R C -0.741 175.538 176.300 -0.035 0.000 0.977 608 R CA -0.886 55.190 56.100 -0.039 0.000 0.950 608 R CB 2.070 32.335 30.300 -0.058 0.000 1.165 608 R HN 0.546 nan 8.270 nan 0.000 0.474 609 E N 1.281 121.437 120.200 -0.074 0.000 2.367 609 E HA 0.343 4.708 4.350 0.026 0.000 0.273 609 E C -2.676 173.779 176.600 -0.241 0.000 0.903 609 E CA -2.329 53.995 56.400 -0.127 0.000 0.764 609 E CB 2.100 31.766 29.700 -0.057 0.000 1.252 609 E HN 0.247 nan 8.360 nan 0.000 0.446 610 P HA 0.049 nan 4.420 nan 0.000 0.268 610 P C 0.726 177.857 177.300 -0.281 0.000 1.205 610 P CA -0.103 62.805 63.100 -0.321 0.000 0.771 610 P CB 0.441 31.926 31.700 -0.357 0.000 0.858 611 M N 4.585 124.036 119.600 -0.249 0.000 2.346 611 M HA -0.113 4.382 4.480 0.026 0.000 0.263 611 M C 1.584 177.773 176.300 -0.185 0.000 1.064 611 M CA 1.505 56.650 55.300 -0.258 0.000 1.083 611 M CB -1.302 31.083 32.600 -0.359 0.000 1.399 611 M HN 0.130 nan 8.290 nan 0.000 0.435 612 V N 0.299 120.137 119.914 -0.126 0.000 2.568 612 V HA -0.269 3.867 4.120 0.026 0.000 0.253 612 V C 2.136 178.081 176.094 -0.248 0.000 1.072 612 V CA 2.492 64.736 62.300 -0.093 0.000 1.084 612 V CB -0.991 30.847 31.823 0.025 0.000 0.676 612 V HN 0.818 nan 8.190 nan 0.000 0.469 613 T N -1.218 113.103 114.554 -0.388 0.000 3.035 613 T HA -0.148 4.218 4.350 0.026 0.000 0.268 613 T C 1.133 175.726 174.700 -0.178 0.000 1.109 613 T CA 1.310 63.201 62.100 -0.348 0.000 1.119 613 T CB -0.185 68.522 68.868 -0.268 0.000 0.900 613 T HN 0.815 nan 8.240 nan 0.000 0.503 614 Q N -0.673 119.017 119.800 -0.184 0.000 1.986 614 Q HA 0.353 4.708 4.340 0.026 0.000 0.225 614 Q C 1.498 177.384 176.000 -0.190 0.000 0.836 614 Q CA -0.602 55.084 55.803 -0.196 0.000 1.008 614 Q CB -0.101 28.521 28.738 -0.193 0.000 1.253 614 Q HN 0.300 nan 8.270 nan 0.000 0.415 615 R N 1.634 122.031 120.500 -0.172 0.000 2.134 615 R HA -0.170 4.185 4.340 0.026 0.000 0.248 615 R C 0.514 176.707 176.300 -0.179 0.000 1.143 615 R CA 2.347 58.338 56.100 -0.181 0.000 0.957 615 R CB -0.000 30.163 30.300 -0.227 0.000 0.867 615 R HN 0.263 nan 8.270 nan 0.000 0.441 616 N N 0.193 118.760 118.700 -0.221 0.000 2.449 616 N HA -0.027 4.728 4.740 0.026 0.000 0.191 616 N C 1.085 176.419 175.510 -0.293 0.000 1.161 616 N CA 0.458 53.370 53.050 -0.231 0.000 0.863 616 N CB 0.206 38.549 38.487 -0.240 0.000 0.980 616 N HN 0.408 nan 8.380 nan 0.000 0.458 617 I N -0.600 119.798 120.570 -0.286 0.000 4.070 617 I HA -0.045 4.141 4.170 0.026 0.000 0.328 617 I C 2.042 178.088 176.117 -0.118 0.000 1.298 617 I CA 0.097 61.225 61.300 -0.287 0.000 1.173 617 I CB 0.083 37.847 38.000 -0.393 0.000 1.051 617 I HN 0.155 nan 8.210 nan 0.000 0.409 618 H N 1.597 120.573 119.070 -0.157 0.000 2.293 618 H HA -0.148 4.424 4.556 0.026 0.000 0.300 618 H C 2.016 177.226 175.328 -0.197 0.000 1.082 618 H CA 2.083 58.044 56.048 -0.145 0.000 1.308 618 H CB 0.197 29.919 29.762 -0.066 0.000 1.375 618 H HN 0.402 nan 8.280 nan 0.000 0.495 619 A N 0.408 123.247 122.820 0.032 0.000 1.933 619 A HA -0.223 4.113 4.320 0.026 0.000 0.218 619 A C 2.455 179.978 177.584 -0.102 0.000 1.175 619 A CA 1.483 53.513 52.037 -0.012 0.000 0.628 619 A CB -1.388 17.660 19.000 0.081 0.000 0.814 619 A HN 0.690 nan 8.150 nan 0.000 0.444 620 Y N 1.139 121.349 120.300 -0.149 0.000 2.128 620 Y HA -0.233 4.333 4.550 0.026 0.000 0.284 620 Y C 2.603 178.305 175.900 -0.330 0.000 1.154 620 Y CA 2.456 60.512 58.100 -0.074 0.000 1.149 620 Y CB -0.478 38.010 38.460 0.047 0.000 0.976 620 Y HN 0.310 nan 8.280 nan 0.000 0.505 621 T N 1.539 115.978 114.554 -0.192 0.000 2.821 621 T HA -0.183 4.183 4.350 0.026 0.000 0.267 621 T C 1.716 175.784 174.700 -1.053 0.000 1.046 621 T CA 1.294 63.078 62.100 -0.528 0.000 1.139 621 T CB -0.571 67.975 68.868 -0.535 0.000 0.871 621 T HN 0.359 nan 8.240 nan 0.000 0.454 622 L N 1.272 121.735 121.223 -1.266 0.000 1.970 622 L HA -0.071 4.285 4.340 0.026 0.000 0.212 622 L C 2.436 178.900 176.870 -0.678 0.000 1.071 622 L CA 1.664 55.717 54.840 -1.312 0.000 0.751 622 L CB -1.228 40.348 42.059 -0.805 0.000 0.889 622 L HN 0.274 nan 8.230 nan 0.000 0.432 623 C N 0.016 119.011 119.300 -0.508 0.000 2.413 623 C HA -0.160 4.316 4.460 0.026 0.000 0.277 623 C C 2.711 177.254 174.990 -0.745 0.000 1.265 623 C CA 1.082 59.856 59.018 -0.406 0.000 1.752 623 C CB -1.110 26.502 27.740 -0.213 0.000 1.998 623 C HN 0.710 nan 8.230 nan 0.000 0.489 624 E N 0.998 120.407 120.200 -1.319 0.000 2.077 624 E HA -0.183 4.182 4.350 0.026 0.000 0.193 624 E C 2.087 178.299 176.600 -0.647 0.000 0.989 624 E CA 1.574 57.023 56.400 -1.586 0.000 0.800 624 E CB -0.007 28.856 29.700 -1.395 0.000 0.746 624 E HN 0.613 nan 8.360 nan 0.000 0.452 625 S N -0.101 115.332 115.700 -0.446 0.000 2.371 625 S HA -0.099 4.387 4.470 0.026 0.000 0.224 625 S C 2.023 176.698 174.600 0.125 0.000 1.029 625 S CA 1.337 59.499 58.200 -0.064 0.000 0.978 625 S CB -0.348 62.889 63.200 0.062 0.000 0.833 625 S HN 0.325 nan 8.310 nan 0.000 0.466 626 T N 2.183 116.821 114.554 0.140 0.000 2.665 626 T HA -0.171 4.195 4.350 0.026 0.000 0.268 626 T C 1.964 176.561 174.700 -0.172 0.000 1.035 626 T CA 1.825 63.926 62.100 0.002 0.000 1.151 626 T CB -0.273 68.620 68.868 0.042 0.000 0.862 626 T HN 0.252 nan 8.240 nan 0.000 0.438 627 R N 1.455 121.857 120.500 -0.163 0.000 2.070 627 R HA -0.000 4.356 4.340 0.026 0.000 0.233 627 R C 2.283 178.542 176.300 -0.069 0.000 1.137 627 R CA 1.945 57.978 56.100 -0.111 0.000 0.945 627 R CB -0.390 29.871 30.300 -0.066 0.000 0.845 627 R HN 0.399 nan 8.270 nan 0.000 0.430 628 K N -0.524 119.834 120.400 -0.070 0.000 2.029 628 K HA -0.053 4.283 4.320 0.026 0.000 0.205 628 K C 1.634 178.234 176.600 0.000 0.000 1.042 628 K CA 1.524 57.796 56.287 -0.024 0.000 0.949 628 K CB 0.033 32.520 32.500 -0.021 0.000 0.740 628 K HN 0.088 nan 8.250 nan 0.000 0.442 629 E N -0.385 119.828 120.200 0.021 0.000 2.299 629 E HA 0.040 4.406 4.350 0.026 0.000 0.193 629 E C 1.382 177.995 176.600 0.021 0.000 0.998 629 E CA 0.833 57.264 56.400 0.051 0.000 0.851 629 E CB 0.395 30.166 29.700 0.117 0.000 0.795 629 E HN 0.507 nan 8.360 nan 0.000 0.492 630 G N 0.372 109.144 108.800 -0.047 0.000 2.695 630 G HA2 -0.044 3.931 3.960 0.026 0.000 0.219 630 G HA3 -0.044 3.931 3.960 0.026 0.000 0.219 630 G C 1.501 176.422 174.900 0.035 0.000 1.295 630 G CA 0.005 45.009 45.100 -0.160 0.000 0.882 630 G HN 0.085 nan 8.290 nan 0.000 0.570 631 I N 0.433 120.991 120.570 -0.020 0.000 2.142 631 I HA -0.160 4.026 4.170 0.026 0.000 0.240 631 I C 2.796 178.910 176.117 -0.004 0.000 1.078 631 I CA 0.766 62.078 61.300 0.019 0.000 1.343 631 I CB -0.223 37.750 38.000 -0.044 0.000 1.046 631 I HN 0.031 nan 8.210 nan 0.000 0.405 632 V N 0.305 120.216 119.914 -0.006 0.000 2.273 632 V HA -0.197 3.939 4.120 0.026 0.000 0.242 632 V C 2.273 178.376 176.094 0.014 0.000 1.035 632 V CA 1.653 63.952 62.300 -0.003 0.000 1.013 632 V CB -0.593 31.228 31.823 -0.004 0.000 0.652 632 V HN 0.364 nan 8.190 nan 0.000 0.452 633 E N 0.383 120.598 120.200 0.024 0.000 2.265 633 E HA -0.132 4.234 4.350 0.026 0.000 0.196 633 E C 0.849 177.476 176.600 0.046 0.000 0.996 633 E CA 0.775 57.194 56.400 0.032 0.000 0.832 633 E CB -0.049 29.672 29.700 0.034 0.000 0.756 633 E HN 0.523 nan 8.360 nan 0.000 0.491 634 N N -0.347 118.398 118.700 0.075 0.000 2.389 634 N HA 0.156 4.912 4.740 0.026 0.000 0.260 634 N C 0.543 176.121 175.510 0.112 0.000 1.191 634 N CA 0.072 53.192 53.050 0.117 0.000 0.885 634 N CB 1.174 39.765 38.487 0.173 0.000 1.162 634 N HN 0.030 nan 8.380 nan 0.000 0.512 635 A N 0.589 123.432 122.820 0.037 0.000 1.972 635 A HA -0.154 4.182 4.320 0.026 0.000 0.219 635 A C 1.651 179.231 177.584 -0.007 0.000 1.169 635 A CA 1.286 53.311 52.037 -0.021 0.000 0.635 635 A CB -0.064 18.923 19.000 -0.022 0.000 0.810 635 A HN 0.075 nan 8.150 nan 0.000 0.446 636 D N -0.309 120.105 120.400 0.023 0.000 2.221 636 D HA -0.128 4.528 4.640 0.026 0.000 0.204 636 D C 2.100 178.427 176.300 0.045 0.000 0.982 636 D CA 1.933 55.950 54.000 0.028 0.000 0.857 636 D CB -0.467 40.353 40.800 0.033 0.000 0.934 636 D HN 0.662 nan 8.370 nan 0.000 0.475 637 T N -2.129 112.474 114.554 0.081 0.000 3.100 637 T HA 0.106 4.472 4.350 0.026 0.000 0.253 637 T C 1.115 175.892 174.700 0.127 0.000 1.118 637 T CA -0.228 61.950 62.100 0.130 0.000 1.058 637 T CB -0.125 68.863 68.868 0.200 0.000 0.953 637 T HN -0.025 nan 8.240 nan 0.000 0.515 638 L N 2.581 123.806 121.223 0.004 0.000 2.467 638 L HA 0.247 4.603 4.340 0.026 0.000 0.270 638 L C 2.078 178.955 176.870 0.011 0.000 1.205 638 L CA -0.027 54.768 54.840 -0.075 0.000 0.828 638 L CB 0.853 42.782 42.059 -0.217 0.000 1.101 638 L HN 0.375 nan 8.230 nan 0.000 0.479 639 T N -1.458 113.126 114.554 0.050 0.000 3.246 639 T HA 0.003 4.368 4.350 0.026 0.000 0.231 639 T C 1.562 176.211 174.700 -0.085 0.000 0.986 639 T CA 0.100 62.222 62.100 0.038 0.000 1.340 639 T CB -0.099 68.856 68.868 0.145 0.000 1.063 639 T HN 0.466 nan 8.240 nan 0.000 0.427 640 K N -0.112 120.182 120.400 -0.176 0.000 2.137 640 K HA 0.231 4.567 4.320 0.026 0.000 0.202 640 K C -0.573 175.630 176.600 -0.661 0.000 1.052 640 K CA 0.483 56.466 56.287 -0.506 0.000 0.961 640 K CB 0.112 32.139 32.500 -0.789 0.000 0.741 640 K HN 0.379 nan 8.250 nan 0.000 0.452 641 F N -0.010 119.929 119.950 -0.018 0.000 2.507 641 F HA 0.388 4.931 4.527 0.027 0.000 0.328 641 F C 0.891 176.682 175.800 -0.015 0.000 1.136 641 F CA -0.939 57.075 58.000 0.024 0.000 0.930 641 F CB 1.644 40.735 39.000 0.152 0.000 1.166 641 F HN -0.230 nan 8.300 nan 0.000 0.436 642 R N 1.406 121.965 120.500 0.099 0.000 2.115 642 R HA 0.064 4.420 4.340 0.026 0.000 0.226 642 R C 0.951 177.257 176.300 0.010 0.000 1.100 642 R CA 0.510 56.623 56.100 0.022 0.000 0.980 642 R CB 0.199 30.503 30.300 0.006 0.000 0.875 642 R HN 0.603 nan 8.270 nan 0.000 0.445 643 R N 0.457 120.983 120.500 0.043 0.000 2.490 643 R HA 0.074 4.430 4.340 0.026 0.000 0.280 643 R C -0.726 175.562 176.300 -0.021 0.000 1.077 643 R CA 0.132 56.223 56.100 -0.014 0.000 1.065 643 R CB 1.195 31.466 30.300 -0.049 0.000 1.003 643 R HN 0.004 nan 8.270 nan 0.000 0.470 644 S N 1.914 117.596 115.700 -0.030 0.000 2.900 644 S HA 0.609 5.094 4.470 0.026 0.000 0.320 644 S C -1.940 172.731 174.600 0.118 0.000 1.130 644 S CA -0.566 57.655 58.200 0.035 0.000 0.863 644 S CB 0.990 64.168 63.200 -0.035 0.000 1.295 644 S HN 0.527 nan 8.310 nan 0.000 0.596 645 Y N -0.525 119.782 120.300 0.011 0.000 2.713 645 Y HA 0.592 5.158 4.550 0.026 0.000 0.335 645 Y C -1.782 174.175 175.900 0.096 0.000 1.222 645 Y CA -0.969 57.120 58.100 -0.018 0.000 1.061 645 Y CB 1.026 39.392 38.460 -0.156 0.000 1.314 645 Y HN 0.654 nan 8.280 nan 0.000 0.453 646 I N 4.837 125.132 120.570 -0.458 0.000 2.466 646 I HA 0.408 4.593 4.170 0.026 0.000 0.289 646 I C -1.153 174.719 176.117 -0.408 0.000 1.026 646 I CA -0.867 60.261 61.300 -0.288 0.000 1.078 646 I CB 1.770 39.621 38.000 -0.249 0.000 1.249 646 I HN 0.303 nan 8.210 nan 0.000 0.429 647 I N 4.625 125.055 120.570 -0.234 0.000 2.328 647 I HA 0.295 4.481 4.170 0.026 0.000 0.287 647 I C 0.226 176.381 176.117 0.064 0.000 1.012 647 I CA 0.010 61.139 61.300 -0.285 0.000 1.195 647 I CB 1.204 38.761 38.000 -0.738 0.000 1.350 647 I HN 0.492 nan 8.210 nan 0.000 0.464 648 S N 5.661 121.410 115.700 0.082 0.000 2.593 648 S HA 0.469 4.955 4.470 0.026 0.000 0.297 648 S C 0.951 175.581 174.600 0.050 0.000 1.112 648 S CA -0.539 57.753 58.200 0.154 0.000 1.043 648 S CB 1.917 65.140 63.200 0.039 0.000 1.054 648 S HN 0.707 nan 8.310 nan 0.000 0.516 649 R N 1.532 121.932 120.500 -0.167 0.000 2.254 649 R HA 0.268 4.624 4.340 0.026 0.000 0.195 649 R C 0.748 176.865 176.300 -0.305 0.000 0.957 649 R CA 0.509 56.173 56.100 -0.726 0.000 1.024 649 R CB 0.022 29.753 30.300 -0.947 0.000 0.952 649 R HN 0.673 nan 8.270 nan 0.000 0.484 650 G N -1.270 107.506 108.800 -0.040 0.000 2.605 650 G HA2 0.620 4.596 3.960 0.026 0.000 0.296 650 G HA3 0.620 4.596 3.960 0.026 0.000 0.296 650 G C -0.974 174.045 174.900 0.198 0.000 1.304 650 G CA -0.228 44.942 45.100 0.117 0.000 0.941 650 G HN 0.293 nan 8.290 nan 0.000 0.475 651 G N -1.516 107.418 108.800 0.224 0.000 2.323 651 G HA2 0.533 4.509 3.960 0.026 0.000 0.291 651 G HA3 0.533 4.509 3.960 0.026 0.000 0.291 651 G C -2.324 172.474 174.900 -0.170 0.000 1.278 651 G CA -0.377 44.827 45.100 0.173 0.000 0.860 651 G HN 1.373 nan 8.290 nan 0.000 0.504 652 Y N -0.279 119.817 120.300 -0.341 0.000 2.588 652 Y HA 0.647 5.213 4.550 0.026 0.000 0.343 652 Y C 0.085 175.768 175.900 -0.361 0.000 1.065 652 Y CA -1.640 56.177 58.100 -0.472 0.000 1.038 652 Y CB 1.332 39.674 38.460 -0.196 0.000 1.297 652 Y HN 0.603 nan 8.280 nan 0.000 0.467 653 I N 4.007 123.938 120.570 -1.065 0.000 3.114 653 I HA 0.031 4.217 4.170 0.026 0.000 0.320 653 I C 1.261 177.126 176.117 -0.419 0.000 1.230 653 I CA 2.405 63.255 61.300 -0.750 0.000 1.440 653 I CB -0.671 36.728 38.000 -1.001 0.000 1.334 653 I HN 0.952 nan 8.210 nan 0.000 0.532 654 G N 5.201 113.851 108.800 -0.250 0.000 2.211 654 G HA2 -0.244 3.732 3.960 0.026 0.000 0.201 654 G HA3 -0.244 3.732 3.960 0.026 0.000 0.201 654 G C 1.004 175.744 174.900 -0.267 0.000 0.997 654 G CA 0.133 45.156 45.100 -0.128 0.000 0.652 654 G HN 0.592 nan 8.290 nan 0.000 0.500 655 N N 0.782 119.403 118.700 -0.131 0.000 2.348 655 N HA -0.137 4.619 4.740 0.026 0.000 0.185 655 N C 2.356 177.602 175.510 -0.440 0.000 1.019 655 N CA 1.499 54.415 53.050 -0.223 0.000 0.880 655 N CB -0.018 38.589 38.487 0.200 0.000 0.965 655 N HN 0.764 nan 8.380 nan 0.000 0.437 656 Q N 0.098 119.636 119.800 -0.436 0.000 2.437 656 Q HA -0.149 4.207 4.340 0.026 0.000 0.210 656 Q C 0.374 175.987 176.000 -0.645 0.000 0.972 656 Q CA 1.421 56.935 55.803 -0.482 0.000 0.903 656 Q CB -0.749 27.703 28.738 -0.478 0.000 0.967 656 Q HN 0.558 nan 8.270 nan 0.000 0.486 657 H N -1.116 117.553 119.070 -0.669 0.000 2.539 657 H HA 0.140 4.712 4.556 0.027 0.000 0.267 657 H C 0.286 175.313 175.328 -0.502 0.000 0.982 657 H CA 0.634 56.317 56.048 -0.607 0.000 1.146 657 H CB 0.228 29.610 29.762 -0.634 0.000 1.382 657 H HN 0.214 nan 8.280 nan 0.000 0.577 658 F N -1.279 118.551 119.950 -0.199 0.000 2.712 658 F HA 0.473 5.016 4.527 0.026 0.000 0.297 658 F C 1.455 177.026 175.800 -0.382 0.000 1.114 658 F CA 0.487 58.332 58.000 -0.259 0.000 1.305 658 F CB 0.481 39.302 39.000 -0.298 0.000 1.086 658 F HN 0.166 nan 8.300 nan 0.000 0.599 659 G N -0.693 107.898 108.800 -0.349 0.000 2.398 659 G HA2 0.399 4.375 3.960 0.026 0.000 0.251 659 G HA3 0.399 4.375 3.960 0.026 0.000 0.251 659 G C -0.528 174.058 174.900 -0.524 0.000 1.277 659 G CA -0.308 44.292 45.100 -0.833 0.000 0.927 659 G HN 0.392 nan 8.290 nan 0.000 0.477 660 G N -1.305 107.168 108.800 -0.544 0.000 2.971 660 G HA2 0.718 4.694 3.960 0.026 0.000 0.235 660 G HA3 0.718 4.694 3.960 0.026 0.000 0.235 660 G C -0.483 174.302 174.900 -0.192 0.000 1.351 660 G CA -0.645 44.341 45.100 -0.190 0.000 1.039 660 G HN 0.625 nan 8.290 nan 0.000 0.563 661 M N -0.545 118.969 119.600 -0.142 0.000 2.531 661 M HA 0.386 4.882 4.480 0.026 0.000 0.286 661 M C -1.855 174.473 176.300 0.046 0.000 1.232 661 M CA -0.376 54.871 55.300 -0.088 0.000 0.877 661 M CB 2.426 34.918 32.600 -0.180 0.000 1.726 661 M HN 0.861 nan 8.290 nan 0.000 0.463 662 W N 0.738 121.966 121.300 -0.121 0.000 2.844 662 W HA 0.710 5.384 4.660 0.024 0.000 0.340 662 W C -1.124 175.405 176.519 0.016 0.000 1.093 662 W CA -1.020 56.352 57.345 0.046 0.000 1.212 662 W CB 0.642 30.197 29.460 0.159 0.000 1.422 662 W HN 0.266 nan 8.180 nan 0.000 0.515 663 V N 6.377 126.258 119.914 -0.055 0.000 2.743 663 V HA 0.307 4.443 4.120 0.026 0.000 0.356 663 V C 1.362 177.287 176.094 -0.282 0.000 1.594 663 V CA 0.823 63.028 62.300 -0.159 0.000 1.652 663 V CB -1.539 30.351 31.823 0.112 0.000 1.389 663 V HN 1.271 nan 8.190 nan 0.000 0.514 664 G N 2.149 110.253 108.800 -1.160 0.000 2.582 664 G HA2 -0.274 3.702 3.960 0.026 0.000 0.288 664 G HA3 -0.274 3.702 3.960 0.026 0.000 0.288 664 G C -0.215 174.653 174.900 -0.054 0.000 1.247 664 G CA 0.298 44.772 45.100 -1.043 0.000 0.972 664 G HN 0.554 nan 8.290 nan 0.000 0.557 665 D N 2.423 122.922 120.400 0.165 0.000 2.500 665 D HA 0.380 5.036 4.640 0.026 0.000 0.219 665 D C 1.003 177.425 176.300 0.205 0.000 1.137 665 D CA -0.153 53.998 54.000 0.252 0.000 0.946 665 D CB 0.075 41.062 40.800 0.312 0.000 1.022 665 D HN 0.601 nan 8.370 nan 0.000 0.518 666 N N 0.012 118.778 118.700 0.109 0.000 2.443 666 N HA 0.331 5.087 4.740 0.026 0.000 0.294 666 N C -0.053 175.184 175.510 -0.455 0.000 1.289 666 N CA -0.509 52.307 53.050 -0.391 0.000 0.966 666 N CB 0.619 39.076 38.487 -0.049 0.000 1.122 666 N HN 0.107 nan 8.380 nan 0.000 0.569 667 S N -3.259 111.809 115.700 -1.054 0.000 2.840 667 S HA 0.562 5.048 4.470 0.026 0.000 0.307 667 S C -1.270 173.171 174.600 -0.265 0.000 1.180 667 S CA -0.701 57.119 58.200 -0.633 0.000 0.846 667 S CB 0.501 63.310 63.200 -0.652 0.000 1.233 667 S HN 0.562 nan 8.310 nan 0.000 0.548 668 T N 2.042 116.571 114.554 -0.041 0.000 3.400 668 T HA 0.527 4.893 4.350 0.026 0.000 0.362 668 T C -0.380 174.277 174.700 -0.072 0.000 1.823 668 T CA -0.342 61.758 62.100 -0.001 0.000 1.374 668 T CB -0.412 68.369 68.868 -0.145 0.000 1.130 668 T HN 0.725 nan 8.240 nan 0.000 0.744 669 T N -2.308 112.350 114.554 0.172 0.000 2.816 669 T HA 0.431 4.797 4.350 0.026 0.000 0.299 669 T C 1.250 175.968 174.700 0.030 0.000 1.230 669 T CA -0.672 61.494 62.100 0.110 0.000 1.007 669 T CB 1.451 70.458 68.868 0.232 0.000 1.289 669 T HN -0.081 nan 8.240 nan 0.000 0.508 670 S N 0.830 116.505 115.700 -0.041 0.000 2.370 670 S HA -0.156 4.330 4.470 0.026 0.000 0.226 670 S C 1.864 176.280 174.600 -0.307 0.000 1.033 670 S CA 1.977 60.053 58.200 -0.206 0.000 1.011 670 S CB -0.851 62.250 63.200 -0.165 0.000 0.852 670 S HN 0.802 nan 8.310 nan 0.000 0.457 671 N N -0.024 118.553 118.700 -0.204 0.000 2.094 671 N HA -0.148 4.607 4.740 0.026 0.000 0.191 671 N C 1.398 176.668 175.510 -0.401 0.000 1.023 671 N CA 1.487 54.387 53.050 -0.250 0.000 0.857 671 N CB -0.269 38.129 38.487 -0.149 0.000 1.013 671 N HN 0.422 nan 8.380 nan 0.000 0.426 672 Y N 0.956 121.163 120.300 -0.154 0.000 2.352 672 Y HA 0.004 4.567 4.550 0.022 0.000 0.292 672 Y C 1.975 177.807 175.900 -0.114 0.000 1.136 672 Y CA 0.515 58.568 58.100 -0.079 0.000 1.227 672 Y CB -0.117 38.375 38.460 0.054 0.000 0.991 672 Y HN 0.109 nan 8.280 nan 0.000 0.545 673 I N -0.361 120.069 120.570 -0.234 0.000 2.202 673 I HA -0.326 3.860 4.170 0.026 0.000 0.242 673 I C 2.111 178.137 176.117 -0.152 0.000 1.091 673 I CA 1.386 62.465 61.300 -0.369 0.000 1.368 673 I CB -0.469 37.199 38.000 -0.554 0.000 1.058 673 I HN 0.242 nan 8.210 nan 0.000 0.410 674 Q N 0.304 119.992 119.800 -0.186 0.000 2.061 674 Q HA -0.232 4.123 4.340 0.026 0.000 0.204 674 Q C 2.318 178.324 176.000 0.010 0.000 0.984 674 Q CA 1.733 57.483 55.803 -0.089 0.000 0.846 674 Q CB -0.193 28.483 28.738 -0.103 0.000 0.902 674 Q HN 0.491 nan 8.270 nan 0.000 0.421 675 M N -0.128 119.445 119.600 -0.044 0.000 2.117 675 M HA -0.204 4.291 4.480 0.026 0.000 0.262 675 M C 2.393 178.767 176.300 0.123 0.000 1.065 675 M CA 1.390 56.700 55.300 0.016 0.000 1.114 675 M CB -0.286 32.272 32.600 -0.070 0.000 1.361 675 M HN 0.372 nan 8.290 nan 0.000 0.408 676 M N 0.580 120.280 119.600 0.167 0.000 2.108 676 M HA -0.245 4.251 4.480 0.026 0.000 0.261 676 M C 1.922 178.299 176.300 0.129 0.000 1.066 676 M CA 1.896 57.322 55.300 0.210 0.000 1.107 676 M CB -0.198 32.568 32.600 0.277 0.000 1.356 676 M HN 0.209 nan 8.290 nan 0.000 0.406 677 I N 0.452 121.080 120.570 0.096 0.000 2.142 677 I HA -0.241 3.945 4.170 0.026 0.000 0.240 677 I C 2.718 178.865 176.117 0.051 0.000 1.078 677 I CA 1.310 62.646 61.300 0.060 0.000 1.343 677 I CB -0.675 37.409 38.000 0.140 0.000 1.046 677 I HN 0.419 nan 8.210 nan 0.000 0.405 678 A N 0.753 123.631 122.820 0.097 0.000 1.902 678 A HA -0.256 4.079 4.320 0.026 0.000 0.217 678 A C 2.037 179.673 177.584 0.086 0.000 1.181 678 A CA 2.241 54.344 52.037 0.110 0.000 0.623 678 A CB -1.166 17.918 19.000 0.140 0.000 0.818 678 A HN 0.506 nan 8.150 nan 0.000 0.443 679 N N -0.238 118.510 118.700 0.081 0.000 2.094 679 N HA -0.199 4.557 4.740 0.026 0.000 0.191 679 N C 1.872 177.403 175.510 0.036 0.000 1.023 679 N CA 1.247 54.333 53.050 0.061 0.000 0.857 679 N CB -0.190 38.342 38.487 0.075 0.000 1.013 679 N HN 0.544 nan 8.380 nan 0.000 0.426 680 N N 1.154 119.865 118.700 0.020 0.000 2.135 680 N HA -0.052 4.704 4.740 0.026 0.000 0.186 680 N C 1.745 177.227 175.510 -0.047 0.000 1.027 680 N CA 0.829 53.866 53.050 -0.022 0.000 0.849 680 N CB 0.069 38.511 38.487 -0.075 0.000 1.002 680 N HN 0.200 nan 8.380 nan 0.000 0.425 681 I N 1.399 121.940 120.570 -0.049 0.000 2.226 681 I HA -0.250 3.936 4.170 0.026 0.000 0.245 681 I C 1.843 177.988 176.117 0.047 0.000 1.100 681 I CA 0.875 62.168 61.300 -0.011 0.000 1.374 681 I CB -0.303 37.721 38.000 0.039 0.000 1.057 681 I HN 0.098 nan 8.210 nan 0.000 0.413 682 N N 0.355 119.100 118.700 0.075 0.000 2.142 682 N HA -0.109 4.647 4.740 0.026 0.000 0.186 682 N C 1.855 177.428 175.510 0.105 0.000 1.023 682 N CA 1.257 54.376 53.050 0.116 0.000 0.852 682 N CB -0.214 38.349 38.487 0.127 0.000 0.998 682 N HN 0.213 nan 8.380 nan 0.000 0.424 683 M N 1.051 120.674 119.600 0.038 0.000 2.117 683 M HA -0.076 4.420 4.480 0.026 0.000 0.262 683 M C 1.635 177.920 176.300 -0.025 0.000 1.065 683 M CA 0.967 56.249 55.300 -0.031 0.000 1.114 683 M CB -1.201 31.327 32.600 -0.121 0.000 1.361 683 M HN 0.201 nan 8.290 nan 0.000 0.408 684 N N 0.849 119.540 118.700 -0.015 0.000 2.094 684 N HA -0.169 4.587 4.740 0.026 0.000 0.191 684 N C 1.669 177.197 175.510 0.029 0.000 1.023 684 N CA 1.845 54.885 53.050 -0.017 0.000 0.857 684 N CB -0.231 38.241 38.487 -0.026 0.000 1.013 684 N HN 0.534 nan 8.380 nan 0.000 0.426 685 M N -1.047 118.612 119.600 0.098 0.000 2.595 685 M HA 0.171 4.666 4.480 0.026 0.000 0.248 685 M C 0.645 177.163 176.300 0.364 0.000 1.119 685 M CA 0.966 56.384 55.300 0.198 0.000 1.079 685 M CB 0.377 33.089 32.600 0.186 0.000 1.472 685 M HN -0.209 nan 8.290 nan 0.000 0.501 686 S N 0.012 115.859 115.700 0.244 0.000 2.614 686 S HA 0.192 4.678 4.470 0.026 0.000 0.230 686 S C 0.499 175.044 174.600 -0.092 0.000 0.952 686 S CA -0.155 58.147 58.200 0.170 0.000 0.949 686 S CB -0.636 62.726 63.200 0.269 0.000 0.786 686 S HN 0.736 nan 8.310 nan 0.000 0.478 687 C N 1.545 120.786 119.300 -0.098 0.000 4.497 687 C HA -0.110 4.366 4.460 0.026 0.000 0.292 687 C C -0.018 174.837 174.990 -0.226 0.000 1.366 687 C CA -0.182 58.704 59.018 -0.220 0.000 1.987 687 C CB -2.257 25.226 27.740 -0.428 0.000 1.241 687 C HN 0.572 nan 8.230 nan 0.000 0.788 688 L N 2.292 123.412 121.223 -0.173 0.000 2.417 688 L HA 0.381 4.736 4.340 0.026 0.000 0.259 688 L C -1.088 175.691 176.870 -0.152 0.000 1.023 688 L CA -1.338 53.377 54.840 -0.208 0.000 0.901 688 L CB 1.356 43.211 42.059 -0.340 0.000 1.227 688 L HN -0.014 nan 8.230 nan 0.000 0.454 689 P HA -0.018 nan 4.420 nan 0.000 0.220 689 P C 0.718 178.017 177.300 -0.001 0.000 1.154 689 P CA 0.355 63.416 63.100 -0.065 0.000 0.830 689 P CB 1.085 32.739 31.700 -0.078 0.000 0.803 690 L N 1.287 122.517 121.223 0.011 0.000 2.389 690 L HA 0.324 4.679 4.340 0.026 0.000 0.265 690 L C -0.314 176.612 176.870 0.092 0.000 1.167 690 L CA -0.475 54.421 54.840 0.093 0.000 1.045 690 L CB 0.198 42.313 42.059 0.094 0.000 1.351 690 L HN -0.202 nan 8.230 nan 0.000 0.419 691 V N 2.810 122.808 119.914 0.139 0.000 3.040 691 V HA 1.017 5.153 4.120 0.026 0.000 0.312 691 V C -0.249 176.033 176.094 0.314 0.000 1.115 691 V CA 0.082 62.473 62.300 0.151 0.000 0.998 691 V CB 2.210 34.045 31.823 0.020 0.000 1.042 691 V HN 0.563 nan 8.190 nan 0.000 0.433 692 G N 2.222 111.278 108.800 0.426 0.000 2.559 692 G HA2 0.634 4.610 3.960 0.026 0.000 0.291 692 G HA3 0.634 4.610 3.960 0.026 0.000 0.291 692 G C -1.500 173.703 174.900 0.505 0.000 1.424 692 G CA -0.239 45.145 45.100 0.473 0.000 0.786 692 G HN 0.989 nan 8.290 nan 0.000 0.485 693 S N -0.124 115.843 115.700 0.446 0.000 2.542 693 S HA 0.529 5.015 4.470 0.026 0.000 0.293 693 S C -1.233 173.611 174.600 0.406 0.000 1.089 693 S CA -0.771 57.712 58.200 0.472 0.000 0.961 693 S CB 1.796 65.261 63.200 0.442 0.000 1.062 693 S HN 0.550 nan 8.310 nan 0.000 0.483 694 D N 2.277 122.928 120.400 0.419 0.000 2.502 694 D HA 0.040 4.696 4.640 0.026 0.000 0.249 694 D C 0.098 176.410 176.300 0.020 0.000 1.188 694 D CA 0.359 54.511 54.000 0.253 0.000 0.890 694 D CB 0.129 41.141 40.800 0.354 0.000 1.140 694 D HN 0.259 nan 8.370 nan 0.000 0.505 695 I N 1.933 122.474 120.570 -0.049 0.000 2.517 695 I HA 0.133 4.319 4.170 0.026 0.000 0.285 695 I C 1.796 177.601 176.117 -0.520 0.000 1.106 695 I CA 0.493 61.649 61.300 -0.240 0.000 1.402 695 I CB 0.102 38.081 38.000 -0.036 0.000 1.399 695 I HN 0.708 nan 8.210 nan 0.000 0.535 696 G N 4.538 112.532 108.800 -1.344 0.000 2.234 696 G HA2 -0.066 3.910 3.960 0.026 0.000 0.235 696 G HA3 -0.066 3.910 3.960 0.026 0.000 0.235 696 G C 0.626 175.128 174.900 -0.663 0.000 0.997 696 G CA 0.198 44.795 45.100 -0.840 0.000 0.623 696 G HN 1.653 nan 8.290 nan 0.000 0.514 697 G N -1.571 106.849 108.800 -0.632 0.000 2.777 697 G HA2 0.199 4.175 3.960 0.026 0.000 0.686 697 G HA3 0.199 4.175 3.960 0.026 0.000 0.686 697 G C 0.118 175.040 174.900 0.036 0.000 1.177 697 G CA 0.200 45.212 45.100 -0.146 0.000 0.775 697 G HN 1.556 nan 8.290 nan 0.000 0.613 698 F N 2.081 122.027 119.950 -0.007 0.000 2.123 698 F HA 0.266 4.808 4.527 0.025 0.000 0.289 698 F C 2.173 178.033 175.800 0.100 0.000 1.099 698 F CA 2.075 60.117 58.000 0.070 0.000 1.234 698 F CB -0.354 38.741 39.000 0.159 0.000 1.034 698 F HN 0.982 nan 8.300 nan 0.000 0.479 699 T N -0.228 114.275 114.554 -0.085 0.000 2.849 699 T HA 0.317 4.682 4.350 0.026 0.000 0.284 699 T C 0.426 175.115 174.700 -0.019 0.000 1.004 699 T CA -0.536 61.481 62.100 -0.139 0.000 1.021 699 T CB 0.769 69.660 68.868 0.039 0.000 1.013 699 T HN 0.216 nan 8.240 nan 0.000 0.527 700 S N 1.080 116.788 115.700 0.013 0.000 2.566 700 S HA 0.154 4.640 4.470 0.026 0.000 0.280 700 S C 0.325 174.998 174.600 0.122 0.000 1.343 700 S CA -0.098 58.136 58.200 0.057 0.000 1.036 700 S CB -0.207 63.001 63.200 0.015 0.000 0.866 700 S HN 0.954 nan 8.310 nan 0.000 0.526 701 Y N -0.846 119.460 120.300 0.010 0.000 2.441 701 Y HA 0.430 5.000 4.550 0.032 0.000 0.266 701 Y C 0.221 176.149 175.900 0.047 0.000 1.093 701 Y CA -0.666 57.459 58.100 0.041 0.000 1.246 701 Y CB 0.053 38.548 38.460 0.059 0.000 1.262 701 Y HN 0.472 nan 8.280 nan 0.000 0.518 702 D N 2.281 122.220 120.400 -0.769 0.000 2.338 702 D HA 0.029 4.684 4.640 0.026 0.000 0.255 702 D C 0.296 176.474 176.300 -0.203 0.000 1.237 702 D CA 0.231 53.919 54.000 -0.520 0.000 0.883 702 D CB 0.539 40.960 40.800 -0.632 0.000 1.087 702 D HN 0.306 nan 8.370 nan 0.000 0.485 703 N N 3.086 121.737 118.700 -0.082 0.000 2.381 703 N HA -0.119 4.637 4.740 0.026 0.000 0.182 703 N C 1.031 176.516 175.510 -0.041 0.000 1.025 703 N CA 0.679 53.710 53.050 -0.032 0.000 0.888 703 N CB 0.324 38.818 38.487 0.011 0.000 0.965 703 N HN 0.576 nan 8.380 nan 0.000 0.438 704 E N 0.093 120.258 120.200 -0.058 0.000 2.190 704 E HA 0.029 4.395 4.350 0.026 0.000 0.191 704 E C 0.106 176.663 176.600 -0.072 0.000 0.978 704 E CA 0.434 56.803 56.400 -0.051 0.000 0.839 704 E CB 0.037 29.712 29.700 -0.042 0.000 0.787 704 E HN 0.166 nan 8.360 nan 0.000 0.473 705 N N 0.787 119.421 118.700 -0.110 0.000 2.594 705 N HA -0.018 4.737 4.740 0.026 0.000 0.280 705 N C 0.480 175.889 175.510 -0.169 0.000 1.156 705 N CA -0.029 52.943 53.050 -0.130 0.000 0.831 705 N CB 1.136 39.540 38.487 -0.139 0.000 1.379 705 N HN -0.086 nan 8.380 nan 0.000 0.536 706 Q N 2.073 121.800 119.800 -0.121 0.000 2.297 706 Q HA -0.073 4.283 4.340 0.026 0.000 0.208 706 Q C 0.478 176.405 176.000 -0.122 0.000 0.981 706 Q CA 1.111 56.853 55.803 -0.102 0.000 0.876 706 Q CB 0.047 28.793 28.738 0.013 0.000 0.921 706 Q HN 0.463 nan 8.270 nan 0.000 0.446 707 R N 0.667 121.064 120.500 -0.171 0.000 2.276 707 R HA 0.074 4.430 4.340 0.026 0.000 0.203 707 R C 0.149 176.323 176.300 -0.209 0.000 1.017 707 R CA 0.566 56.548 56.100 -0.197 0.000 1.010 707 R CB 0.057 30.138 30.300 -0.365 0.000 0.900 707 R HN 0.164 nan 8.270 nan 0.000 0.469 708 T N 3.883 118.295 114.554 -0.236 0.000 2.829 708 T HA 0.070 4.436 4.350 0.026 0.000 0.293 708 T C -2.251 172.345 174.700 -0.174 0.000 0.970 708 T CA -0.854 61.111 62.100 -0.227 0.000 1.168 708 T CB 0.843 69.556 68.868 -0.258 0.000 0.911 708 T HN 0.000 nan 8.240 nan 0.000 0.535 709 P HA 0.141 nan 4.420 nan 0.000 0.273 709 P C 0.249 177.631 177.300 0.136 0.000 1.250 709 P CA -0.884 62.077 63.100 -0.231 0.000 0.793 709 P CB 0.391 31.612 31.700 -0.798 0.000 1.011 710 C N 2.138 121.523 119.300 0.141 0.000 2.563 710 C HA 0.128 4.604 4.460 0.026 0.000 0.411 710 C C 1.153 176.246 174.990 0.170 0.000 1.386 710 C CA 0.440 59.507 59.018 0.082 0.000 1.703 710 C CB -1.578 26.153 27.740 -0.014 0.000 2.596 710 C HN 0.766 nan 8.230 nan 0.000 0.605 711 T N 3.528 118.142 114.554 0.100 0.000 2.856 711 T HA 0.334 4.700 4.350 0.026 0.000 0.306 711 T C 1.384 176.150 174.700 0.111 0.000 1.062 711 T CA 0.074 62.266 62.100 0.153 0.000 1.083 711 T CB 1.131 70.059 68.868 0.101 0.000 0.984 711 T HN 1.010 nan 8.240 nan 0.000 0.542 712 G N 0.417 109.326 108.800 0.182 0.000 2.422 712 G HA2 -0.219 3.757 3.960 0.026 0.000 0.218 712 G HA3 -0.219 3.757 3.960 0.026 0.000 0.218 712 G C 1.167 176.042 174.900 -0.041 0.000 1.146 712 G CA 1.003 46.141 45.100 0.063 0.000 0.769 712 G HN 0.896 nan 8.290 nan 0.000 0.547 713 D N -0.367 120.042 120.400 0.014 0.000 2.117 713 D HA -0.067 4.589 4.640 0.026 0.000 0.198 713 D C 2.323 178.612 176.300 -0.019 0.000 0.982 713 D CA 0.478 54.479 54.000 0.002 0.000 0.828 713 D CB -0.190 40.628 40.800 0.031 0.000 0.967 713 D HN 0.145 nan 8.370 nan 0.000 0.464 714 L N 0.002 121.217 121.223 -0.014 0.000 2.083 714 L HA -0.057 4.299 4.340 0.026 0.000 0.209 714 L C 2.120 179.002 176.870 0.020 0.000 1.083 714 L CA 1.405 56.239 54.840 -0.009 0.000 0.752 714 L CB -0.553 41.493 42.059 -0.021 0.000 0.899 714 L HN 0.172 nan 8.230 nan 0.000 0.433 715 M N -1.623 117.930 119.600 -0.078 0.000 2.132 715 M HA -0.125 4.371 4.480 0.026 0.000 0.263 715 M C 2.056 178.303 176.300 -0.088 0.000 1.065 715 M CA 1.795 57.009 55.300 -0.144 0.000 1.122 715 M CB -0.546 31.726 32.600 -0.546 0.000 1.365 715 M HN 0.058 nan 8.290 nan 0.000 0.411 716 V N 0.676 120.523 119.914 -0.113 0.000 2.295 716 V HA -0.280 3.856 4.120 0.026 0.000 0.246 716 V C 2.594 178.618 176.094 -0.117 0.000 1.049 716 V CA 1.749 63.985 62.300 -0.107 0.000 1.024 716 V CB -0.845 30.927 31.823 -0.086 0.000 0.648 716 V HN 0.412 nan 8.190 nan 0.000 0.447 717 R N -1.218 119.237 120.500 -0.075 0.000 2.092 717 R HA -0.124 4.232 4.340 0.026 0.000 0.231 717 R C 2.092 178.369 176.300 -0.038 0.000 1.119 717 R CA 1.333 57.383 56.100 -0.084 0.000 0.970 717 R CB -1.037 29.218 30.300 -0.075 0.000 0.864 717 R HN 0.527 nan 8.270 nan 0.000 0.440 718 Y N 0.804 121.074 120.300 -0.049 0.000 2.181 718 Y HA -0.168 4.396 4.550 0.023 0.000 0.288 718 Y C 2.474 178.413 175.900 0.066 0.000 1.146 718 Y CA 0.997 59.105 58.100 0.013 0.000 1.164 718 Y CB -0.340 38.121 38.460 0.002 0.000 0.982 718 Y HN -0.248 nan 8.280 nan 0.000 0.515 719 V N -0.295 119.747 119.914 0.213 0.000 2.323 719 V HA -0.307 3.829 4.120 0.026 0.000 0.244 719 V C 2.099 178.258 176.094 0.108 0.000 1.041 719 V CA 2.022 64.461 62.300 0.232 0.000 1.025 719 V CB -0.556 31.338 31.823 0.119 0.000 0.656 719 V HN 0.398 nan 8.190 nan 0.000 0.451 720 Q N -0.151 119.554 119.800 -0.158 0.000 2.096 720 Q HA -0.192 4.163 4.340 0.026 0.000 0.204 720 Q C 2.363 178.343 176.000 -0.034 0.000 0.982 720 Q CA 1.888 57.491 55.803 -0.335 0.000 0.850 720 Q CB -0.420 27.970 28.738 -0.580 0.000 0.901 720 Q HN 0.673 nan 8.270 nan 0.000 0.422 721 A N 0.477 123.322 122.820 0.042 0.000 1.969 721 A HA -0.048 4.288 4.320 0.026 0.000 0.218 721 A C 2.118 179.838 177.584 0.225 0.000 1.169 721 A CA 1.484 53.605 52.037 0.139 0.000 0.635 721 A CB -0.631 18.424 19.000 0.090 0.000 0.810 721 A HN 0.459 nan 8.150 nan 0.000 0.445 722 G N -1.032 107.915 108.800 0.245 0.000 3.042 722 G HA2 0.013 3.989 3.960 0.026 0.000 0.212 722 G HA3 0.013 3.989 3.960 0.026 0.000 0.212 722 G C 1.373 176.256 174.900 -0.028 0.000 1.166 722 G CA 0.892 46.154 45.100 0.269 0.000 0.767 722 G HN 0.846 nan 8.290 nan 0.000 0.546 723 C N -0.884 118.337 119.300 -0.132 0.000 2.456 723 C HA 0.329 4.805 4.460 0.026 0.000 0.279 723 C C 1.982 176.838 174.990 -0.224 0.000 1.427 723 C CA 0.056 58.772 59.018 -0.504 0.000 1.778 723 C CB -0.908 26.811 27.740 -0.036 0.000 1.842 723 C HN 0.242 nan 8.230 nan 0.000 0.531 724 L N 0.123 121.383 121.223 0.060 0.000 2.906 724 L HA 0.390 4.745 4.340 0.026 0.000 0.255 724 L C 0.507 177.462 176.870 0.141 0.000 1.166 724 L CA -0.200 54.734 54.840 0.156 0.000 0.977 724 L CB -0.102 42.156 42.059 0.331 0.000 1.313 724 L HN 0.256 nan 8.230 nan 0.000 0.549 725 L N 0.768 122.054 121.223 0.105 0.000 2.436 725 L HA 0.144 4.500 4.340 0.026 0.000 0.265 725 L C -1.192 175.793 176.870 0.192 0.000 1.168 725 L CA -1.435 53.462 54.840 0.096 0.000 0.815 725 L CB 0.527 42.643 42.059 0.095 0.000 1.109 725 L HN -0.178 nan 8.230 nan 0.000 0.462 726 P HA -0.148 nan 4.420 nan 0.000 0.215 726 P C -0.318 177.295 177.300 0.520 0.000 1.157 726 P CA 1.012 64.359 63.100 0.413 0.000 0.859 726 P CB 0.147 32.057 31.700 0.350 0.000 0.786 727 W N 0.730 122.175 121.300 0.241 0.000 2.314 727 W HA 0.408 5.086 4.660 0.031 0.000 0.310 727 W C -1.645 175.108 176.519 0.390 0.000 1.075 727 W CA -0.746 56.743 57.345 0.240 0.000 1.253 727 W CB 0.584 30.140 29.460 0.159 0.000 1.238 727 W HN -0.208 nan 8.180 nan 0.000 0.440 728 F N 8.215 127.948 119.950 -0.361 0.000 2.443 728 F HA 0.425 4.964 4.527 0.019 0.000 0.369 728 F C -0.775 174.829 175.800 -0.326 0.000 1.090 728 F CA -1.156 56.741 58.000 -0.172 0.000 1.129 728 F CB 0.351 39.436 39.000 0.143 0.000 1.367 728 F HN 0.448 nan 8.300 nan 0.000 0.465 729 R N 4.424 124.573 120.500 -0.585 0.000 2.538 729 R HA 0.310 4.666 4.340 0.026 0.000 0.292 729 R C -1.343 174.820 176.300 -0.228 0.000 1.008 729 R CA -0.664 55.106 56.100 -0.550 0.000 0.896 729 R CB 1.165 31.008 30.300 -0.761 0.000 1.187 729 R HN 0.513 nan 8.270 nan 0.000 0.440 730 N N 3.692 122.342 118.700 -0.083 0.000 2.411 730 N HA 0.069 4.824 4.740 0.026 0.000 0.259 730 N C -1.496 174.104 175.510 0.150 0.000 1.103 730 N CA 0.353 53.450 53.050 0.078 0.000 0.954 730 N CB 0.591 39.227 38.487 0.250 0.000 1.085 730 N HN 0.698 nan 8.380 nan 0.000 0.485 731 H N 3.293 122.427 119.070 0.106 0.000 2.930 731 H HA 0.347 4.919 4.556 0.026 0.000 0.371 731 H C -1.481 174.125 175.328 0.462 0.000 1.169 731 H CA -0.571 55.601 56.048 0.206 0.000 1.157 731 H CB 1.597 31.357 29.762 -0.003 0.000 1.789 731 H HN 0.635 nan 8.280 nan 0.000 0.547 732 Y N 0.949 121.041 120.300 -0.345 0.000 2.656 732 Y HA 0.278 4.847 4.550 0.032 0.000 0.334 732 Y C -1.851 173.814 175.900 -0.393 0.000 1.179 732 Y CA -1.208 56.719 58.100 -0.288 0.000 1.050 732 Y CB 1.022 39.391 38.460 -0.151 0.000 1.308 732 Y HN 0.459 nan 8.280 nan 0.000 0.456 733 D N 2.012 122.003 120.400 -0.681 0.000 2.316 733 D HA 0.217 4.873 4.640 0.026 0.000 0.245 733 D C -0.798 175.370 176.300 -0.220 0.000 1.171 733 D CA -0.222 53.470 54.000 -0.514 0.000 0.856 733 D CB 0.725 41.125 40.800 -0.666 0.000 1.090 733 D HN 0.708 nan 8.370 nan 0.000 0.476 734 R N 4.130 124.434 120.500 -0.326 0.000 2.255 734 R HA 0.243 4.599 4.340 0.026 0.000 0.326 734 R C -0.813 175.437 176.300 -0.084 0.000 0.986 734 R CA -0.895 55.151 56.100 -0.091 0.000 0.847 734 R CB 0.521 30.718 30.300 -0.170 0.000 1.111 734 R HN 0.508 nan 8.270 nan 0.000 0.452 735 W N 8.156 129.392 121.300 -0.106 0.000 2.469 735 W HA 0.197 4.872 4.660 0.026 0.000 0.321 735 W C -0.363 176.080 176.519 -0.126 0.000 1.415 735 W CA -0.053 57.209 57.345 -0.140 0.000 1.308 735 W CB 0.318 29.729 29.460 -0.081 0.000 1.368 735 W HN 0.538 nan 8.180 nan 0.000 0.546 736 I N 1.631 121.884 120.570 -0.528 0.000 3.145 736 I HA 0.378 4.564 4.170 0.026 0.000 0.313 736 I C 0.931 176.472 176.117 -0.959 0.000 1.122 736 I CA -1.007 60.045 61.300 -0.414 0.000 0.987 736 I CB 2.086 39.941 38.000 -0.242 0.000 1.236 736 I HN 0.482 nan 8.210 nan 0.000 0.453 737 E N 1.334 121.250 120.200 -0.473 0.000 2.118 737 E HA -0.204 4.162 4.350 0.026 0.000 0.195 737 E C 1.537 177.899 176.600 -0.397 0.000 0.992 737 E CA 2.122 58.288 56.400 -0.391 0.000 0.804 737 E CB 0.167 29.820 29.700 -0.077 0.000 0.741 737 E HN 0.794 nan 8.360 nan 0.000 0.458 738 S N -0.802 114.692 115.700 -0.343 0.000 2.556 738 S HA 0.110 4.596 4.470 0.026 0.000 0.216 738 S C 0.637 175.031 174.600 -0.343 0.000 0.970 738 S CA -0.335 57.705 58.200 -0.266 0.000 0.912 738 S CB 0.394 63.488 63.200 -0.175 0.000 0.790 738 S HN 0.070 nan 8.310 nan 0.000 0.504 739 K N 2.219 122.293 120.400 -0.543 0.000 2.984 739 K HA 0.088 4.424 4.320 0.026 0.000 0.211 739 K C -1.436 174.590 176.600 -0.957 0.000 1.174 739 K CA -0.144 55.746 56.287 -0.662 0.000 0.978 739 K CB 0.385 32.439 32.500 -0.744 0.000 1.212 739 K HN 0.198 nan 8.250 nan 0.000 0.589 740 D N 2.770 122.680 120.400 -0.815 0.000 3.032 740 D HA 0.002 4.658 4.640 0.026 0.000 0.241 740 D C -0.394 175.636 176.300 -0.450 0.000 1.196 740 D CA 0.099 53.467 54.000 -1.053 0.000 0.927 740 D CB -0.450 40.069 40.800 -0.468 0.000 1.129 740 D HN 0.556 nan 8.370 nan 0.000 0.458 741 H N -2.824 116.012 119.070 -0.391 0.000 2.930 741 H HA 0.769 5.341 4.556 0.025 0.000 0.371 741 H C 0.359 175.686 175.328 -0.002 0.000 1.169 741 H CA -0.646 55.387 56.048 -0.024 0.000 1.157 741 H CB 1.854 31.613 29.762 -0.006 0.000 1.789 741 H HN 0.230 nan 8.280 nan 0.000 0.547 742 G N 0.877 109.844 108.800 0.278 0.000 2.331 742 G HA2 0.083 4.058 3.960 0.026 0.000 0.479 742 G HA3 0.083 4.058 3.960 0.026 0.000 0.479 742 G C -1.571 173.443 174.900 0.190 0.000 1.262 742 G CA -1.031 44.165 45.100 0.159 0.000 1.029 742 G HN 0.717 nan 8.290 nan 0.000 0.487 743 K N -0.373 120.118 120.400 0.153 0.000 2.166 743 K HA 0.497 4.832 4.320 0.026 0.000 0.245 743 K C 0.399 177.061 176.600 0.103 0.000 0.967 743 K CA -0.821 55.504 56.287 0.064 0.000 0.863 743 K CB 1.540 34.034 32.500 -0.009 0.000 1.107 743 K HN 0.367 nan 8.250 nan 0.000 0.436 744 D N 0.297 120.658 120.400 -0.065 0.000 2.117 744 D HA -0.096 4.560 4.640 0.026 0.000 0.197 744 D C 0.167 176.552 176.300 0.142 0.000 0.987 744 D CA 1.801 55.807 54.000 0.009 0.000 0.829 744 D CB 0.045 40.799 40.800 -0.076 0.000 0.961 744 D HN 0.476 nan 8.370 nan 0.000 0.460 745 Y N -3.370 116.895 120.300 -0.058 0.000 2.750 745 Y HA 0.482 5.045 4.550 0.021 0.000 0.335 745 Y C 0.013 175.563 175.900 -0.584 0.000 1.252 745 Y CA -0.912 57.066 58.100 -0.204 0.000 1.064 745 Y CB 1.005 39.350 38.460 -0.192 0.000 1.321 745 Y HN -0.248 nan 8.280 nan 0.000 0.451 746 Q N -0.535 118.993 119.800 -0.453 0.000 1.793 746 Q HA 0.230 4.586 4.340 0.026 0.000 0.186 746 Q C -1.109 174.870 176.000 -0.035 0.000 0.714 746 Q CA -0.070 55.498 55.803 -0.391 0.000 0.808 746 Q CB 0.549 28.675 28.738 -1.020 0.000 1.211 746 Q HN 0.784 nan 8.270 nan 0.000 0.402 747 E N 1.043 121.156 120.200 -0.146 0.000 2.442 747 E HA -0.054 4.312 4.350 0.026 0.000 0.262 747 E C 0.775 177.200 176.600 -0.291 0.000 1.004 747 E CA 0.286 56.525 56.400 -0.269 0.000 0.928 747 E CB 0.536 29.727 29.700 -0.848 0.000 0.937 747 E HN 0.297 nan 8.360 nan 0.000 0.446 748 L N 2.094 123.221 121.223 -0.161 0.000 2.191 748 L HA -0.205 4.150 4.340 0.026 0.000 0.212 748 L C 1.861 178.617 176.870 -0.190 0.000 1.103 748 L CA 1.169 55.939 54.840 -0.117 0.000 0.769 748 L CB -0.636 41.300 42.059 -0.206 0.000 0.908 748 L HN 0.750 nan 8.230 nan 0.000 0.438 749 Y N -3.124 116.878 120.300 -0.497 0.000 2.561 749 Y HA 0.065 4.632 4.550 0.028 0.000 0.291 749 Y C 2.143 177.934 175.900 -0.181 0.000 1.141 749 Y CA 0.071 57.999 58.100 -0.285 0.000 1.303 749 Y CB -0.392 37.793 38.460 -0.458 0.000 1.015 749 Y HN 0.023 nan 8.280 nan 0.000 0.547 750 M N 0.093 119.353 119.600 -0.567 0.000 2.628 750 M HA 0.088 4.584 4.480 0.026 0.000 0.232 750 M C -1.019 174.938 176.300 -0.571 0.000 1.128 750 M CA 0.281 55.194 55.300 -0.645 0.000 1.040 750 M CB -1.053 30.918 32.600 -1.049 0.000 1.608 750 M HN 0.365 nan 8.290 nan 0.000 0.507 751 Y N 0.688 120.932 120.300 -0.094 0.000 2.915 751 Y HA 0.271 4.841 4.550 0.034 0.000 0.350 751 Y C -1.504 174.420 175.900 0.041 0.000 1.061 751 Y CA -1.923 56.180 58.100 0.005 0.000 1.179 751 Y CB 0.225 38.706 38.460 0.035 0.000 1.180 751 Y HN 0.088 nan 8.280 nan 0.000 0.605 752 P HA -0.179 nan 4.420 nan 0.000 0.216 752 P C 0.261 177.622 177.300 0.101 0.000 1.150 752 P CA 1.669 64.822 63.100 0.087 0.000 0.837 752 P CB 0.446 32.164 31.700 0.031 0.000 0.786 753 N N -0.140 118.625 118.700 0.108 0.000 2.309 753 N HA -0.119 4.637 4.740 0.026 0.000 0.182 753 N C 1.269 176.840 175.510 0.103 0.000 1.018 753 N CA 0.780 53.886 53.050 0.093 0.000 0.876 753 N CB -0.264 38.276 38.487 0.089 0.000 0.972 753 N HN 0.230 nan 8.380 nan 0.000 0.434 754 E N -0.169 120.117 120.200 0.143 0.000 2.498 754 E HA 0.165 4.531 4.350 0.026 0.000 0.203 754 E C 1.366 178.058 176.600 0.154 0.000 1.013 754 E CA -0.178 56.298 56.400 0.127 0.000 0.927 754 E CB 0.129 29.890 29.700 0.102 0.000 1.012 754 E HN 0.270 nan 8.360 nan 0.000 0.482 755 M N 0.826 120.537 119.600 0.184 0.000 2.089 755 M HA -0.265 4.230 4.480 0.026 0.000 0.257 755 M C 0.707 177.086 176.300 0.132 0.000 1.071 755 M CA 1.800 57.242 55.300 0.237 0.000 1.096 755 M CB 0.049 32.781 32.600 0.220 0.000 1.330 755 M HN 0.029 nan 8.290 nan 0.000 0.403 756 D N -0.371 120.067 120.400 0.063 0.000 2.097 756 D HA -0.140 4.516 4.640 0.026 0.000 0.195 756 D C 1.881 178.204 176.300 0.038 0.000 0.989 756 D CA 2.015 56.018 54.000 0.006 0.000 0.827 756 D CB -0.693 40.106 40.800 -0.002 0.000 0.966 756 D HN 0.383 nan 8.370 nan 0.000 0.456 757 T N 1.230 115.842 114.554 0.096 0.000 2.684 757 T HA -0.106 4.260 4.350 0.026 0.000 0.267 757 T C 2.221 177.091 174.700 0.283 0.000 1.036 757 T CA 0.691 62.902 62.100 0.185 0.000 1.148 757 T CB -0.387 68.583 68.868 0.170 0.000 0.863 757 T HN 0.110 nan 8.240 nan 0.000 0.436 758 L N 0.439 121.800 121.223 0.230 0.000 1.989 758 L HA -0.140 4.216 4.340 0.026 0.000 0.211 758 L C 2.870 179.950 176.870 0.350 0.000 1.071 758 L CA 1.636 56.653 54.840 0.295 0.000 0.749 758 L CB -0.548 41.706 42.059 0.326 0.000 0.890 758 L HN 0.176 nan 8.230 nan 0.000 0.431 759 R N 1.246 121.846 120.500 0.167 0.000 2.083 759 R HA -0.227 4.129 4.340 0.026 0.000 0.237 759 R C 2.382 178.668 176.300 -0.024 0.000 1.137 759 R CA 2.126 58.113 56.100 -0.189 0.000 0.951 759 R CB -0.174 29.723 30.300 -0.671 0.000 0.851 759 R HN 0.432 nan 8.270 nan 0.000 0.434 760 K N -1.024 119.374 120.400 -0.004 0.000 2.211 760 K HA -0.110 4.225 4.320 0.026 0.000 0.203 760 K C 1.650 178.197 176.600 -0.088 0.000 1.050 760 K CA 1.306 57.551 56.287 -0.070 0.000 0.945 760 K CB -0.213 32.198 32.500 -0.149 0.000 0.732 760 K HN 0.154 nan 8.250 nan 0.000 0.451 761 F N 1.551 121.531 119.950 0.051 0.000 2.293 761 F HA -0.070 4.476 4.527 0.032 0.000 0.297 761 F C 2.212 178.121 175.800 0.182 0.000 1.089 761 F CA 0.655 58.718 58.000 0.104 0.000 1.377 761 F CB -0.031 39.014 39.000 0.074 0.000 1.051 761 F HN -0.217 nan 8.300 nan 0.000 0.511 762 V N -0.175 119.935 119.914 0.327 0.000 2.358 762 V HA -0.255 3.880 4.120 0.026 0.000 0.246 762 V C 2.043 178.260 176.094 0.205 0.000 1.047 762 V CA 1.867 64.343 62.300 0.293 0.000 1.035 762 V CB -0.673 31.286 31.823 0.227 0.000 0.658 762 V HN 0.297 nan 8.190 nan 0.000 0.452 763 E N -0.294 119.973 120.200 0.111 0.000 2.085 763 E HA -0.257 4.108 4.350 0.026 0.000 0.194 763 E C 2.034 178.720 176.600 0.143 0.000 0.994 763 E CA 1.705 58.159 56.400 0.091 0.000 0.801 763 E CB -0.295 29.429 29.700 0.039 0.000 0.743 763 E HN 0.601 nan 8.360 nan 0.000 0.453 764 F N 1.986 121.893 119.950 -0.071 0.000 2.126 764 F HA -0.216 4.334 4.527 0.037 0.000 0.299 764 F C 2.438 178.190 175.800 -0.080 0.000 1.096 764 F CA 1.806 59.693 58.000 -0.188 0.000 1.255 764 F CB -0.097 38.699 39.000 -0.339 0.000 0.997 764 F HN -0.201 nan 8.300 nan 0.000 0.479 765 R N -1.079 119.457 120.500 0.059 0.000 2.083 765 R HA -0.240 4.116 4.340 0.026 0.000 0.237 765 R C 2.256 178.620 176.300 0.106 0.000 1.137 765 R CA 2.060 58.189 56.100 0.047 0.000 0.951 765 R CB -0.962 29.421 30.300 0.138 0.000 0.851 765 R HN 0.328 nan 8.270 nan 0.000 0.434 766 Y N 0.776 121.077 120.300 0.002 0.000 2.207 766 Y HA -0.123 4.443 4.550 0.026 0.000 0.287 766 Y C 2.462 178.321 175.900 -0.067 0.000 1.156 766 Y CA 1.453 59.553 58.100 0.001 0.000 1.182 766 Y CB -0.215 38.299 38.460 0.089 0.000 0.979 766 Y HN 0.080 nan 8.280 nan 0.000 0.521 767 R N -1.938 118.573 120.500 0.020 0.000 2.152 767 R HA -0.180 4.176 4.340 0.026 0.000 0.232 767 R C 0.628 176.909 176.300 -0.032 0.000 1.117 767 R CA 1.098 57.125 56.100 -0.122 0.000 0.981 767 R CB -0.287 29.870 30.300 -0.237 0.000 0.870 767 R HN 0.276 nan 8.270 nan 0.000 0.451 768 W N 2.284 123.436 121.300 -0.247 0.000 3.086 768 W HA 0.111 4.789 4.660 0.029 0.000 0.436 768 W C 1.294 177.665 176.519 -0.246 0.000 0.939 768 W CA -0.693 56.502 57.345 -0.249 0.000 2.108 768 W CB -0.344 28.925 29.460 -0.320 0.000 1.093 768 W HN 0.251 nan 8.180 nan 0.000 0.783 769 Q N -0.445 119.311 119.800 -0.075 0.000 2.124 769 Q HA -0.189 4.167 4.340 0.026 0.000 0.202 769 Q C 1.066 176.941 176.000 -0.208 0.000 0.977 769 Q CA 1.426 57.099 55.803 -0.218 0.000 0.850 769 Q CB -0.205 28.314 28.738 -0.366 0.000 0.901 769 Q HN 0.064 nan 8.270 nan 0.000 0.429 770 E N 0.912 121.030 120.200 -0.136 0.000 2.216 770 E HA -0.044 4.322 4.350 0.026 0.000 0.192 770 E C 2.263 178.802 176.600 -0.102 0.000 0.988 770 E CA 0.762 57.116 56.400 -0.076 0.000 0.834 770 E CB -0.084 29.574 29.700 -0.071 0.000 0.772 770 E HN 0.255 nan 8.360 nan 0.000 0.479 771 V N 1.599 121.410 119.914 -0.172 0.000 2.295 771 V HA -0.239 3.897 4.120 0.026 0.000 0.246 771 V C 2.481 178.416 176.094 -0.264 0.000 1.049 771 V CA 1.392 63.536 62.300 -0.261 0.000 1.024 771 V CB -0.538 30.989 31.823 -0.492 0.000 0.648 771 V HN 0.177 nan 8.190 nan 0.000 0.447 772 L N -1.626 119.399 121.223 -0.330 0.000 1.994 772 L HA -0.198 4.158 4.340 0.026 0.000 0.208 772 L C 2.516 178.968 176.870 -0.697 0.000 1.071 772 L CA 1.922 56.417 54.840 -0.576 0.000 0.745 772 L CB -0.726 40.835 42.059 -0.831 0.000 0.892 772 L HN 0.310 nan 8.230 nan 0.000 0.431 773 Y N 0.808 120.683 120.300 -0.709 0.000 2.181 773 Y HA -0.257 4.308 4.550 0.026 0.000 0.288 773 Y C 2.735 178.501 175.900 -0.223 0.000 1.146 773 Y CA 1.843 59.692 58.100 -0.419 0.000 1.164 773 Y CB -0.587 37.763 38.460 -0.184 0.000 0.982 773 Y HN 0.095 nan 8.280 nan 0.000 0.515 774 T N -0.020 114.493 114.554 -0.067 0.000 2.867 774 T HA -0.111 4.255 4.350 0.026 0.000 0.268 774 T C 2.109 176.775 174.700 -0.056 0.000 1.057 774 T CA 1.101 63.190 62.100 -0.017 0.000 1.136 774 T CB -0.546 68.356 68.868 0.057 0.000 0.874 774 T HN 0.428 nan 8.240 nan 0.000 0.466 775 A N 1.251 123.989 122.820 -0.138 0.000 1.898 775 A HA -0.036 4.300 4.320 0.026 0.000 0.216 775 A C 2.206 179.684 177.584 -0.176 0.000 1.181 775 A CA 1.600 53.551 52.037 -0.143 0.000 0.620 775 A CB -0.605 18.293 19.000 -0.169 0.000 0.819 775 A HN 0.403 nan 8.150 nan 0.000 0.442 776 M N -1.418 118.056 119.600 -0.209 0.000 2.117 776 M HA -0.130 4.366 4.480 0.026 0.000 0.262 776 M C 1.956 178.041 176.300 -0.358 0.000 1.065 776 M CA 1.892 57.075 55.300 -0.196 0.000 1.114 776 M CB -0.835 31.746 32.600 -0.031 0.000 1.361 776 M HN 0.554 nan 8.290 nan 0.000 0.408 777 Y N 0.574 120.519 120.300 -0.592 0.000 2.165 777 Y HA -0.274 4.292 4.550 0.026 0.000 0.286 777 Y C 2.061 177.642 175.900 -0.531 0.000 1.155 777 Y CA 2.313 59.958 58.100 -0.759 0.000 1.164 777 Y CB -0.636 37.227 38.460 -0.996 0.000 0.978 777 Y HN 0.414 nan 8.280 nan 0.000 0.513 778 Q N 0.043 119.531 119.800 -0.519 0.000 2.170 778 Q HA -0.217 4.139 4.340 0.026 0.000 0.203 778 Q C 2.201 177.962 176.000 -0.398 0.000 0.976 778 Q CA 1.360 56.915 55.803 -0.414 0.000 0.858 778 Q CB -0.315 28.411 28.738 -0.019 0.000 0.907 778 Q HN 0.577 nan 8.270 nan 0.000 0.433 779 N N 0.249 118.737 118.700 -0.354 0.000 2.135 779 N HA -0.122 4.634 4.740 0.026 0.000 0.186 779 N C 1.694 176.965 175.510 -0.398 0.000 1.027 779 N CA 1.263 54.134 53.050 -0.297 0.000 0.849 779 N CB 0.039 38.387 38.487 -0.231 0.000 1.002 779 N HN 0.203 nan 8.380 nan 0.000 0.425 780 A N 0.732 123.250 122.820 -0.504 0.000 1.933 780 A HA 0.033 4.369 4.320 0.026 0.000 0.218 780 A C 2.298 179.533 177.584 -0.582 0.000 1.175 780 A CA 1.918 53.654 52.037 -0.502 0.000 0.628 780 A CB -0.689 18.005 19.000 -0.510 0.000 0.814 780 A HN 0.472 nan 8.150 nan 0.000 0.444 781 A N -1.902 120.355 122.820 -0.937 0.000 1.903 781 A HA 0.340 4.676 4.320 0.026 0.000 0.213 781 A C 1.473 178.556 177.584 -0.834 0.000 1.185 781 A CA 1.308 52.660 52.037 -1.141 0.000 0.628 781 A CB -0.223 17.505 19.000 -2.120 0.000 0.830 781 A HN 0.489 nan 8.150 nan 0.000 0.446 782 F N -2.016 117.757 119.950 -0.295 0.000 2.767 782 F HA 0.418 4.961 4.527 0.026 0.000 0.323 782 F C 1.657 177.374 175.800 -0.139 0.000 1.091 782 F CA -0.244 57.653 58.000 -0.172 0.000 1.192 782 F CB -0.014 38.898 39.000 -0.147 0.000 1.056 782 F HN 0.327 nan 8.300 nan 0.000 0.571 783 G N 1.102 109.858 108.800 -0.072 0.000 2.143 783 G HA2 -0.312 3.663 3.960 0.026 0.000 0.249 783 G HA3 -0.312 3.663 3.960 0.026 0.000 0.249 783 G C 0.318 175.188 174.900 -0.050 0.000 0.981 783 G CA -0.204 44.843 45.100 -0.089 0.000 0.665 783 G HN 0.320 nan 8.290 nan 0.000 0.528 784 K N 1.924 122.311 120.400 -0.022 0.000 2.379 784 K HA 0.329 4.664 4.320 0.026 0.000 0.284 784 K C -1.919 174.644 176.600 -0.061 0.000 1.044 784 K CA -1.218 55.061 56.287 -0.014 0.000 0.974 784 K CB 0.974 33.483 32.500 0.014 0.000 0.962 784 K HN 0.169 nan 8.250 nan 0.000 0.474 785 P HA -0.030 nan 4.420 nan 0.000 0.268 785 P C 0.454 177.699 177.300 -0.091 0.000 1.205 785 P CA 0.188 63.249 63.100 -0.065 0.000 0.771 785 P CB 0.670 32.349 31.700 -0.035 0.000 0.858 786 I N 2.137 122.657 120.570 -0.083 0.000 2.113 786 I HA -0.142 4.044 4.170 0.026 0.000 0.238 786 I C 1.232 177.295 176.117 -0.090 0.000 1.070 786 I CA 1.361 62.608 61.300 -0.087 0.000 1.332 786 I CB -0.241 37.729 38.000 -0.050 0.000 1.044 786 I HN 0.234 nan 8.210 nan 0.000 0.402 787 I N 2.720 123.247 120.570 -0.072 0.000 2.325 787 I HA 0.146 4.332 4.170 0.026 0.000 0.291 787 I C -0.081 176.007 176.117 -0.048 0.000 1.019 787 I CA -0.382 60.880 61.300 -0.063 0.000 1.302 787 I CB 0.678 38.589 38.000 -0.148 0.000 1.401 787 I HN 0.078 nan 8.210 nan 0.000 0.485 788 K N 5.281 125.660 120.400 -0.035 0.000 2.201 788 K HA 0.557 4.893 4.320 0.026 0.000 0.278 788 K C 0.004 176.669 176.600 0.109 0.000 1.027 788 K CA -0.484 55.788 56.287 -0.026 0.000 0.909 788 K CB 1.662 34.042 32.500 -0.200 0.000 1.062 788 K HN 0.648 nan 8.250 nan 0.000 0.465 789 A N 1.870 124.745 122.820 0.092 0.000 2.445 789 A HA 0.361 4.697 4.320 0.026 0.000 0.242 789 A C 1.373 179.046 177.584 0.148 0.000 1.075 789 A CA 0.440 52.546 52.037 0.114 0.000 0.777 789 A CB 0.258 19.272 19.000 0.023 0.000 1.013 789 A HN 0.816 nan 8.150 nan 0.000 0.493 790 A N 1.371 124.290 122.820 0.165 0.000 1.978 790 A HA -0.091 4.245 4.320 0.026 0.000 0.220 790 A C 2.265 179.934 177.584 0.142 0.000 1.170 790 A CA 2.288 54.425 52.037 0.168 0.000 0.636 790 A CB -1.030 18.044 19.000 0.124 0.000 0.810 790 A HN 1.693 nan 8.150 nan 0.000 0.448 791 S N -0.806 114.919 115.700 0.042 0.000 2.547 791 S HA -0.029 4.456 4.470 0.026 0.000 0.235 791 S C 1.662 176.248 174.600 -0.024 0.000 0.980 791 S CA 1.252 59.431 58.200 -0.035 0.000 0.941 791 S CB -0.561 62.512 63.200 -0.212 0.000 0.763 791 S HN 0.539 nan 8.310 nan 0.000 0.532 792 M N 0.010 119.649 119.600 0.065 0.000 2.492 792 M HA 0.164 4.660 4.480 0.026 0.000 0.262 792 M C 0.268 176.665 176.300 0.162 0.000 1.090 792 M CA 0.473 55.852 55.300 0.132 0.000 1.110 792 M CB -0.177 32.570 32.600 0.244 0.000 1.407 792 M HN 0.382 nan 8.290 nan 0.000 0.470 793 Y N 2.626 122.981 120.300 0.091 0.000 2.480 793 Y HA 0.106 4.672 4.550 0.028 0.000 0.341 793 Y C 0.135 176.001 175.900 -0.056 0.000 1.031 793 Y CA -0.734 57.358 58.100 -0.013 0.000 1.295 793 Y CB 0.188 38.716 38.460 0.114 0.000 1.162 793 Y HN 0.102 nan 8.280 nan 0.000 0.523 794 N N 4.232 122.766 118.700 -0.276 0.000 2.445 794 N HA 0.063 4.818 4.740 0.026 0.000 0.264 794 N C -0.331 175.145 175.510 -0.056 0.000 1.227 794 N CA -0.024 52.935 53.050 -0.151 0.000 0.963 794 N CB 0.409 38.770 38.487 -0.210 0.000 1.188 794 N HN 0.776 nan 8.380 nan 0.000 0.491 795 N N -0.637 118.051 118.700 -0.019 0.000 2.735 795 N HA -0.203 4.553 4.740 0.026 0.000 0.248 795 N C -1.485 174.079 175.510 0.090 0.000 1.083 795 N CA 0.648 53.708 53.050 0.017 0.000 0.703 795 N CB -0.684 37.796 38.487 -0.011 0.000 1.005 795 N HN 0.501 nan 8.380 nan 0.000 0.550 796 D N -0.426 120.043 120.400 0.116 0.000 2.686 796 D HA 0.247 4.903 4.640 0.026 0.000 0.249 796 D C 0.311 176.633 176.300 0.037 0.000 1.260 796 D CA -0.416 53.664 54.000 0.134 0.000 0.910 796 D CB 0.934 41.894 40.800 0.266 0.000 1.323 796 D HN 0.129 nan 8.370 nan 0.000 0.561 797 S N 2.225 117.920 115.700 -0.007 0.000 2.593 797 S HA 0.076 4.562 4.470 0.026 0.000 0.217 797 S C 0.837 175.356 174.600 -0.135 0.000 0.966 797 S CA -0.069 58.099 58.200 -0.053 0.000 0.914 797 S CB -0.147 63.031 63.200 -0.037 0.000 0.776 797 S HN 0.439 nan 8.310 nan 0.000 0.523 798 N N 0.804 119.359 118.700 -0.241 0.000 2.227 798 N HA 0.125 4.881 4.740 0.026 0.000 0.196 798 N C 1.493 176.631 175.510 -0.620 0.000 1.142 798 N CA 0.530 53.262 53.050 -0.530 0.000 0.887 798 N CB 0.689 38.630 38.487 -0.910 0.000 1.022 798 N HN 0.358 nan 8.380 nan 0.000 0.500 799 V N -0.417 119.302 119.914 -0.325 0.000 2.490 799 V HA -0.147 3.989 4.120 0.026 0.000 0.250 799 V C 2.214 178.230 176.094 -0.130 0.000 1.061 799 V CA 1.362 63.556 62.300 -0.176 0.000 1.064 799 V CB -0.591 31.238 31.823 0.010 0.000 0.670 799 V HN 0.202 nan 8.190 nan 0.000 0.461 800 R N 0.680 121.121 120.500 -0.098 0.000 2.091 800 R HA -0.200 4.155 4.340 0.026 0.000 0.238 800 R C 2.677 178.945 176.300 -0.054 0.000 1.136 800 R CA 2.078 58.163 56.100 -0.025 0.000 0.959 800 R CB -0.385 29.909 30.300 -0.010 0.000 0.856 800 R HN 0.574 nan 8.270 nan 0.000 0.437 801 R N -0.247 120.174 120.500 -0.131 0.000 2.105 801 R HA -0.108 4.248 4.340 0.026 0.000 0.239 801 R C 1.700 177.925 176.300 -0.126 0.000 1.135 801 R CA 1.672 57.696 56.100 -0.128 0.000 0.967 801 R CB -0.190 30.005 30.300 -0.176 0.000 0.861 801 R HN 0.306 nan 8.270 nan 0.000 0.442 802 A N 1.016 123.705 122.820 -0.217 0.000 2.218 802 A HA -0.061 4.274 4.320 0.026 0.000 0.209 802 A C 1.793 179.333 177.584 -0.073 0.000 1.168 802 A CA 0.385 52.243 52.037 -0.298 0.000 0.804 802 A CB -0.203 18.383 19.000 -0.691 0.000 0.834 802 A HN 0.634 nan 8.150 nan 0.000 0.482 803 Q N -0.021 119.789 119.800 0.017 0.000 2.437 803 Q HA -0.148 4.208 4.340 0.026 0.000 0.210 803 Q C 0.675 176.785 176.000 0.183 0.000 0.972 803 Q CA 1.268 57.146 55.803 0.124 0.000 0.903 803 Q CB -0.421 28.407 28.738 0.151 0.000 0.967 803 Q HN 0.474 nan 8.270 nan 0.000 0.486 804 N N 1.940 120.741 118.700 0.168 0.000 2.309 804 N HA -0.103 4.652 4.740 0.026 0.000 0.182 804 N C 0.117 175.761 175.510 0.223 0.000 1.018 804 N CA 1.715 54.876 53.050 0.186 0.000 0.876 804 N CB 0.155 38.743 38.487 0.169 0.000 0.972 804 N HN 0.690 nan 8.380 nan 0.000 0.434 805 D N -3.138 117.426 120.400 0.275 0.000 2.523 805 D HA 0.059 4.714 4.640 0.026 0.000 0.269 805 D C -0.515 175.930 176.300 0.242 0.000 1.374 805 D CA -0.270 53.894 54.000 0.272 0.000 0.820 805 D CB -0.749 40.172 40.800 0.202 0.000 1.211 805 D HN 0.027 nan 8.370 nan 0.000 0.502 806 H N 0.423 119.550 119.070 0.096 0.000 2.467 806 H HA 0.664 5.238 4.556 0.030 0.000 0.326 806 H C -0.570 174.815 175.328 0.094 0.000 1.094 806 H CA -0.686 55.347 56.048 -0.024 0.000 1.253 806 H CB 0.805 30.543 29.762 -0.041 0.000 1.439 806 H HN 0.105 nan 8.280 nan 0.000 0.479 807 F N 0.592 120.605 119.950 0.105 0.000 2.685 807 F HA 0.750 5.292 4.527 0.024 0.000 0.315 807 F C -2.091 173.746 175.800 0.063 0.000 1.126 807 F CA -1.328 56.724 58.000 0.086 0.000 0.950 807 F CB 0.901 39.944 39.000 0.072 0.000 1.360 807 F HN 0.215 nan 8.300 nan 0.000 0.469 808 L N 2.079 123.490 121.223 0.314 0.000 2.327 808 L HA 0.912 5.267 4.340 0.026 0.000 0.258 808 L C -0.814 176.122 176.870 0.110 0.000 1.024 808 L CA -0.843 54.102 54.840 0.175 0.000 0.825 808 L CB 2.251 44.430 42.059 0.201 0.000 1.386 808 L HN 0.955 nan 8.230 nan 0.000 0.417 809 L N -1.494 119.746 121.223 0.028 0.000 3.020 809 L HA 1.005 5.361 4.340 0.026 0.000 0.273 809 L C -0.379 176.421 176.870 -0.118 0.000 1.018 809 L CA -0.446 54.354 54.840 -0.067 0.000 0.950 809 L CB 1.697 43.761 42.059 0.008 0.000 1.510 809 L HN 0.938 nan 8.230 nan 0.000 0.404 810 G N -0.959 107.741 108.800 -0.166 0.000 2.712 810 G HA2 0.507 4.483 3.960 0.026 0.000 0.686 810 G HA3 0.507 4.483 3.960 0.026 0.000 0.686 810 G C 0.283 175.082 174.900 -0.168 0.000 1.321 810 G CA -0.026 44.944 45.100 -0.217 0.000 0.813 810 G HN 3.050 nan 8.290 nan 0.000 0.599 811 G N -0.123 108.587 108.800 -0.150 0.000 2.760 811 G HA2 0.192 4.167 3.960 0.026 0.000 0.246 811 G HA3 0.192 4.167 3.960 0.026 0.000 0.246 811 G C 0.705 175.615 174.900 0.017 0.000 1.359 811 G CA 1.194 46.270 45.100 -0.039 0.000 0.861 811 G HN 2.711 nan 8.290 nan 0.000 0.541 812 H N -1.346 117.722 119.070 -0.003 0.000 2.387 812 H HA 0.035 4.607 4.556 0.026 0.000 0.299 812 H C 1.861 177.211 175.328 0.036 0.000 1.090 812 H CA 2.006 58.068 56.048 0.023 0.000 1.332 812 H CB 0.037 29.803 29.762 0.007 0.000 1.386 812 H HN 0.609 nan 8.280 nan 0.000 0.516 813 D N -0.984 119.072 120.400 -0.572 0.000 2.389 813 D HA 0.105 4.761 4.640 0.026 0.000 0.206 813 D C 1.720 177.994 176.300 -0.044 0.000 1.055 813 D CA 0.506 54.316 54.000 -0.317 0.000 0.856 813 D CB -0.009 40.524 40.800 -0.445 0.000 0.957 813 D HN 0.637 nan 8.370 nan 0.000 0.509 814 G N 0.095 108.831 108.800 -0.107 0.000 2.157 814 G HA2 -0.308 3.668 3.960 0.026 0.000 0.248 814 G HA3 -0.308 3.668 3.960 0.026 0.000 0.248 814 G C 0.018 174.728 174.900 -0.317 0.000 0.979 814 G CA 0.342 45.329 45.100 -0.189 0.000 0.650 814 G HN 0.423 nan 8.290 nan 0.000 0.529 815 Y N -0.504 119.763 120.300 -0.055 0.000 2.672 815 Y HA 0.426 4.991 4.550 0.026 0.000 0.272 815 Y C 1.877 177.832 175.900 0.092 0.000 1.055 815 Y CA -0.742 57.399 58.100 0.069 0.000 1.151 815 Y CB 0.556 39.077 38.460 0.102 0.000 1.190 815 Y HN 0.062 nan 8.280 nan 0.000 0.574 816 R N 0.313 120.869 120.500 0.093 0.000 2.254 816 R HA 0.296 4.652 4.340 0.026 0.000 0.195 816 R C -0.063 176.294 176.300 0.095 0.000 0.957 816 R CA 0.512 56.631 56.100 0.033 0.000 1.024 816 R CB 0.443 30.695 30.300 -0.080 0.000 0.952 816 R HN 0.337 nan 8.270 nan 0.000 0.484 817 I N 1.145 121.784 120.570 0.115 0.000 2.509 817 I HA 0.266 4.451 4.170 0.026 0.000 0.293 817 I C -0.964 175.271 176.117 0.196 0.000 1.020 817 I CA -1.193 60.194 61.300 0.145 0.000 1.088 817 I CB 2.282 40.261 38.000 -0.035 0.000 1.267 817 I HN -0.221 nan 8.210 nan 0.000 0.430 818 L N 6.902 128.217 121.223 0.153 0.000 2.333 818 L HA 0.641 4.997 4.340 0.026 0.000 0.280 818 L C -1.132 175.658 176.870 -0.132 0.000 1.004 818 L CA 0.027 54.803 54.840 -0.108 0.000 0.820 818 L CB 1.284 42.999 42.059 -0.572 0.000 1.247 818 L HN 0.667 nan 8.230 nan 0.000 0.416 819 C N 4.244 123.295 119.300 -0.416 0.000 2.379 819 C HA 0.877 5.353 4.460 0.026 0.000 0.323 819 C C 0.440 175.005 174.990 -0.708 0.000 1.262 819 C CA -0.582 58.081 59.018 -0.591 0.000 1.581 819 C CB 0.772 27.925 27.740 -0.980 0.000 2.221 819 C HN 0.940 nan 8.230 nan 0.000 0.497 820 A N 4.275 126.809 122.820 -0.476 0.000 3.216 820 A HA 0.612 4.948 4.320 0.026 0.000 0.321 820 A C -2.901 174.548 177.584 -0.226 0.000 1.042 820 A CA -0.927 50.798 52.037 -0.519 0.000 0.838 820 A CB -0.078 18.387 19.000 -0.891 0.000 1.136 820 A HN 0.637 nan 8.150 nan 0.000 0.483 821 P HA 0.157 nan 4.420 nan 0.000 0.269 821 P C 0.216 177.516 177.300 -0.001 0.000 1.215 821 P CA 0.066 63.144 63.100 -0.037 0.000 0.780 821 P CB 0.782 32.498 31.700 0.027 0.000 0.898 822 V N 3.280 123.203 119.914 0.015 0.000 2.585 822 V HA 0.003 4.138 4.120 0.026 0.000 0.296 822 V C 1.411 177.506 176.094 0.002 0.000 1.035 822 V CA 0.455 62.790 62.300 0.057 0.000 1.084 822 V CB 0.771 32.639 31.823 0.075 0.000 0.953 822 V HN 0.474 nan 8.190 nan 0.000 0.483 823 V N 1.110 121.009 119.914 -0.026 0.000 3.121 823 V HA 0.464 4.600 4.120 0.026 0.000 0.344 823 V C -0.420 175.366 176.094 -0.513 0.000 1.390 823 V CA -0.436 61.706 62.300 -0.263 0.000 1.177 823 V CB -0.689 30.948 31.823 -0.311 0.000 1.163 823 V HN 0.730 nan 8.190 nan 0.000 0.484 824 W N -0.189 121.118 121.300 0.012 0.000 2.998 824 W HA 0.590 5.253 4.660 0.004 0.000 0.335 824 W C 0.084 176.605 176.519 0.004 0.000 1.110 824 W CA -0.537 56.819 57.345 0.017 0.000 1.230 824 W CB 1.547 31.029 29.460 0.038 0.000 1.405 824 W HN 0.004 nan 8.180 nan 0.000 0.493 825 E N 1.480 121.832 120.200 0.253 0.000 2.404 825 E HA 0.050 4.416 4.350 0.026 0.000 0.261 825 E C 0.142 176.832 176.600 0.150 0.000 1.074 825 E CA 0.283 56.772 56.400 0.148 0.000 0.917 825 E CB 0.237 30.004 29.700 0.112 0.000 0.965 825 E HN 0.654 nan 8.360 nan 0.000 0.433 826 N N 0.804 119.563 118.700 0.099 0.000 2.727 826 N HA -0.234 4.522 4.740 0.026 0.000 0.249 826 N C -1.439 174.119 175.510 0.080 0.000 1.048 826 N CA 0.561 53.658 53.050 0.078 0.000 0.714 826 N CB -0.701 37.828 38.487 0.070 0.000 0.959 826 N HN 0.185 nan 8.380 nan 0.000 0.544 827 S N -0.506 115.252 115.700 0.096 0.000 2.557 827 S HA 0.593 5.079 4.470 0.026 0.000 0.291 827 S C 0.388 175.038 174.600 0.083 0.000 1.116 827 S CA -0.151 58.108 58.200 0.099 0.000 0.992 827 S CB 1.399 64.700 63.200 0.168 0.000 1.028 827 S HN 0.279 nan 8.310 nan 0.000 0.484 828 T N 0.619 115.212 114.554 0.065 0.000 3.339 828 T HA 0.480 4.845 4.350 0.026 0.000 0.292 828 T C -0.375 174.355 174.700 0.051 0.000 1.012 828 T CA -0.465 61.666 62.100 0.050 0.000 0.937 828 T CB -0.308 68.579 68.868 0.031 0.000 1.164 828 T HN 0.676 nan 8.240 nan 0.000 0.509 829 E N 0.580 120.829 120.200 0.082 0.000 2.433 829 E HA 0.792 5.158 4.350 0.026 0.000 0.278 829 E C -0.770 175.924 176.600 0.157 0.000 0.976 829 E CA -1.224 55.238 56.400 0.104 0.000 0.793 829 E CB 1.337 31.091 29.700 0.091 0.000 1.311 829 E HN 0.380 nan 8.360 nan 0.000 0.460 830 R N -0.691 119.934 120.500 0.208 0.000 2.692 830 R HA 0.481 4.837 4.340 0.026 0.000 0.269 830 R C -1.281 175.160 176.300 0.235 0.000 1.030 830 R CA -0.990 55.245 56.100 0.224 0.000 0.882 830 R CB 1.135 31.566 30.300 0.217 0.000 1.250 830 R HN 0.604 nan 8.270 nan 0.000 0.465 831 E N 1.816 122.142 120.200 0.210 0.000 2.217 831 E HA 0.228 4.593 4.350 0.026 0.000 0.279 831 E C -1.204 175.478 176.600 0.136 0.000 1.068 831 E CA -0.654 55.833 56.400 0.145 0.000 0.882 831 E CB 0.777 30.561 29.700 0.140 0.000 1.039 831 E HN 0.475 nan 8.360 nan 0.000 0.418 832 L N 6.434 127.673 121.223 0.027 0.000 2.307 832 L HA 0.376 4.732 4.340 0.026 0.000 0.284 832 L C -1.731 175.099 176.870 -0.066 0.000 1.023 832 L CA -0.685 54.145 54.840 -0.015 0.000 0.810 832 L CB 1.088 42.901 42.059 -0.411 0.000 1.231 832 L HN 0.542 nan 8.230 nan 0.000 0.423 833 Y N 5.379 125.638 120.300 -0.068 0.000 2.341 833 Y HA 0.624 5.189 4.550 0.025 0.000 0.338 833 Y C -1.423 174.247 175.900 -0.383 0.000 0.965 833 Y CA -0.917 56.984 58.100 -0.331 0.000 1.108 833 Y CB 1.360 39.554 38.460 -0.443 0.000 1.180 833 Y HN 0.549 nan 8.280 nan 0.000 0.458 834 L N 9.226 129.587 121.223 -1.438 0.000 2.265 834 L HA 0.448 4.804 4.340 0.026 0.000 0.289 834 L C -2.333 173.786 176.870 -1.251 0.000 1.033 834 L CA -2.161 51.908 54.840 -1.285 0.000 0.814 834 L CB 1.294 42.766 42.059 -0.978 0.000 1.203 834 L HN 0.534 nan 8.230 nan 0.000 0.423 835 P HA -0.080 nan 4.420 nan 0.000 0.263 835 P C -0.121 177.106 177.300 -0.121 0.000 1.175 835 P CA 0.149 62.952 63.100 -0.495 0.000 0.761 835 P CB 0.781 31.824 31.700 -1.096 0.000 0.794 836 V N 5.668 125.603 119.914 0.035 0.000 3.083 836 V HA 0.160 4.296 4.120 0.026 0.000 0.306 836 V C 1.023 177.238 176.094 0.202 0.000 1.077 836 V CA -0.127 62.250 62.300 0.127 0.000 1.073 836 V CB -0.292 31.626 31.823 0.160 0.000 1.081 836 V HN 0.561 nan 8.190 nan 0.000 0.474 837 L N 2.350 123.637 121.223 0.106 0.000 4.140 837 L HA -0.149 4.207 4.340 0.026 0.000 0.406 837 L C 0.104 176.988 176.870 0.023 0.000 1.175 837 L CA 0.911 55.791 54.840 0.067 0.000 0.939 837 L CB -2.177 39.928 42.059 0.078 0.000 2.105 837 L HN 0.920 nan 8.230 nan 0.000 0.803 838 T N -1.661 112.873 114.554 -0.033 0.000 2.718 838 T HA 0.523 4.889 4.350 0.026 0.000 0.306 838 T C -1.699 172.807 174.700 -0.323 0.000 1.485 838 T CA -0.629 61.352 62.100 -0.200 0.000 0.997 838 T CB 1.842 70.531 68.868 -0.300 0.000 1.504 838 T HN 0.121 nan 8.240 nan 0.000 0.497 839 Q N 0.661 120.186 119.800 -0.458 0.000 2.348 839 Q HA 0.526 4.882 4.340 0.026 0.000 0.271 839 Q C -1.406 174.181 176.000 -0.688 0.000 1.067 839 Q CA -0.398 55.144 55.803 -0.435 0.000 0.839 839 Q CB 2.102 30.681 28.738 -0.264 0.000 1.354 839 Q HN 0.652 nan 8.270 nan 0.000 0.447 840 W N 0.722 121.806 121.300 -0.361 0.000 2.864 840 W HA 0.509 5.188 4.660 0.031 0.000 0.343 840 W C -0.955 175.279 176.519 -0.474 0.000 1.109 840 W CA -0.545 56.623 57.345 -0.295 0.000 1.192 840 W CB 1.226 30.500 29.460 -0.311 0.000 1.426 840 W HN 0.427 nan 8.180 nan 0.000 0.529 841 Y N 1.589 122.092 120.300 0.337 0.000 2.338 841 Y HA 0.276 4.841 4.550 0.025 0.000 0.333 841 Y C 0.326 176.402 175.900 0.292 0.000 0.968 841 Y CA -1.578 56.673 58.100 0.251 0.000 1.123 841 Y CB 1.681 40.244 38.460 0.173 0.000 1.165 841 Y HN 0.201 nan 8.280 nan 0.000 0.452 842 K N 2.999 123.604 120.400 0.341 0.000 2.451 842 K HA 0.191 4.527 4.320 0.026 0.000 0.280 842 K C -1.299 175.019 176.600 -0.470 0.000 1.020 842 K CA 0.454 56.773 56.287 0.053 0.000 1.008 842 K CB 0.358 32.923 32.500 0.109 0.000 0.917 842 K HN 0.604 nan 8.250 nan 0.000 0.478 843 F N 1.173 120.729 119.950 -0.657 0.000 3.084 843 F HA 0.672 5.217 4.527 0.030 0.000 0.336 843 F C 0.175 175.785 175.800 -0.318 0.000 1.230 843 F CA 0.481 58.131 58.000 -0.584 0.000 0.993 843 F CB 1.572 40.544 39.000 -0.046 0.000 1.496 843 F HN 0.747 nan 8.300 nan 0.000 0.522 844 G N 0.627 109.060 108.800 -0.611 0.000 2.343 844 G HA2 0.042 4.018 3.960 0.026 0.000 0.465 844 G HA3 0.042 4.018 3.960 0.026 0.000 0.465 844 G C -2.747 171.419 174.900 -1.224 0.000 1.282 844 G CA -0.436 44.004 45.100 -1.100 0.000 0.996 844 G HN 0.394 nan 8.290 nan 0.000 0.521 845 P HA -0.028 nan 4.420 nan 0.000 0.217 845 P C 1.077 178.106 177.300 -0.452 0.000 1.151 845 P CA 1.794 64.401 63.100 -0.821 0.000 0.849 845 P CB 0.069 31.151 31.700 -1.030 0.000 0.787 846 D N -2.094 118.051 120.400 -0.424 0.000 2.277 846 D HA -0.025 4.631 4.640 0.026 0.000 0.208 846 D C 1.393 177.472 176.300 -0.368 0.000 0.962 846 D CA 0.776 54.559 54.000 -0.361 0.000 0.865 846 D CB -0.592 39.954 40.800 -0.423 0.000 0.939 846 D HN 0.239 nan 8.370 nan 0.000 0.510 847 F N 0.777 120.479 119.950 -0.414 0.000 2.780 847 F HA -0.004 4.535 4.527 0.020 0.000 0.299 847 F C 1.902 177.606 175.800 -0.161 0.000 1.146 847 F CA 0.169 57.978 58.000 -0.319 0.000 1.428 847 F CB 0.128 38.834 39.000 -0.489 0.000 1.115 847 F HN -0.183 nan 8.300 nan 0.000 0.583 848 D N -0.069 120.319 120.400 -0.019 0.000 2.218 848 D HA -0.146 4.510 4.640 0.026 0.000 0.204 848 D C 1.762 178.172 176.300 0.182 0.000 0.976 848 D CA 1.699 55.806 54.000 0.178 0.000 0.853 848 D CB 0.003 40.927 40.800 0.206 0.000 0.939 848 D HN 0.205 nan 8.370 nan 0.000 0.481 849 T N -2.974 111.620 114.554 0.066 0.000 3.228 849 T HA 0.261 4.627 4.350 0.026 0.000 0.278 849 T C 0.198 174.903 174.700 0.008 0.000 1.014 849 T CA -0.723 61.406 62.100 0.049 0.000 0.904 849 T CB -0.041 68.829 68.868 0.004 0.000 1.110 849 T HN 0.245 nan 8.240 nan 0.000 0.541 850 K N -0.726 119.682 120.400 0.012 0.000 2.548 850 K HA 0.732 5.068 4.320 0.026 0.000 0.282 850 K C -3.583 173.073 176.600 0.093 0.000 1.006 850 K CA -2.359 53.924 56.287 -0.007 0.000 0.892 850 K CB 0.622 33.041 32.500 -0.136 0.000 1.499 850 K HN -0.238 nan 8.250 nan 0.000 0.433 851 P HA 0.090 nan 4.420 nan 0.000 0.272 851 P C -0.440 177.056 177.300 0.326 0.000 1.223 851 P CA -0.369 62.829 63.100 0.164 0.000 0.784 851 P CB 0.368 32.136 31.700 0.114 0.000 0.923 852 L N 0.996 122.433 121.223 0.356 0.000 2.483 852 L HA 0.068 4.423 4.340 0.026 0.000 0.275 852 L C 1.298 178.418 176.870 0.418 0.000 1.220 852 L CA 0.303 55.419 54.840 0.460 0.000 0.833 852 L CB -0.229 41.992 42.059 0.269 0.000 1.102 852 L HN 0.418 nan 8.230 nan 0.000 0.490 853 E N 0.227 120.721 120.200 0.490 0.000 2.602 853 E HA 0.293 4.659 4.350 0.026 0.000 0.255 853 E C 0.174 176.989 176.600 0.358 0.000 1.268 853 E CA -0.460 56.167 56.400 0.378 0.000 1.007 853 E CB 0.510 30.440 29.700 0.382 0.000 1.208 853 E HN 0.711 nan 8.360 nan 0.000 0.584 854 G N -0.348 108.610 108.800 0.263 0.000 2.554 854 G HA2 0.316 4.292 3.960 0.026 0.000 0.238 854 G HA3 0.316 4.292 3.960 0.026 0.000 0.238 854 G C -0.319 174.671 174.900 0.151 0.000 1.259 854 G CA -0.100 45.133 45.100 0.222 0.000 0.843 854 G HN 0.505 nan 8.290 nan 0.000 0.582 855 A N 1.547 124.400 122.820 0.054 0.000 2.498 855 A HA 0.479 4.814 4.320 0.026 0.000 0.239 855 A C 0.563 178.028 177.584 -0.198 0.000 1.068 855 A CA 0.279 52.106 52.037 -0.350 0.000 0.766 855 A CB 0.061 18.898 19.000 -0.273 0.000 1.003 855 A HN 0.644 nan 8.150 nan 0.000 0.497 856 M N 2.582 122.031 119.600 -0.252 0.000 2.268 856 M HA 0.225 4.720 4.480 0.026 0.000 0.344 856 M C -0.581 175.654 176.300 -0.110 0.000 1.106 856 M CA -0.650 54.573 55.300 -0.127 0.000 1.010 856 M CB 1.267 33.791 32.600 -0.126 0.000 1.649 856 M HN 0.633 nan 8.290 nan 0.000 0.443 857 N N 2.006 120.655 118.700 -0.085 0.000 2.470 857 N HA 0.225 4.981 4.740 0.026 0.000 0.268 857 N C 0.170 175.650 175.510 -0.050 0.000 1.136 857 N CA 0.068 53.080 53.050 -0.064 0.000 0.961 857 N CB 0.938 39.395 38.487 -0.051 0.000 1.067 857 N HN 0.866 nan 8.380 nan 0.000 0.468 858 G N -0.016 108.791 108.800 0.013 0.000 2.484 858 G HA2 0.367 4.343 3.960 0.026 0.000 0.235 858 G HA3 0.367 4.343 3.960 0.026 0.000 0.235 858 G C 1.032 175.883 174.900 -0.081 0.000 1.282 858 G CA 0.162 45.279 45.100 0.028 0.000 0.857 858 G HN 0.778 nan 8.290 nan 0.000 0.571 859 G N 1.225 109.897 108.800 -0.213 0.000 2.258 859 G HA2 -0.245 3.730 3.960 0.026 0.000 0.233 859 G HA3 -0.245 3.730 3.960 0.026 0.000 0.233 859 G C 0.206 175.061 174.900 -0.076 0.000 1.006 859 G CA 0.339 45.401 45.100 -0.064 0.000 0.620 859 G HN 0.805 nan 8.290 nan 0.000 0.511 860 D N 0.643 120.917 120.400 -0.210 0.000 2.389 860 D HA 0.483 5.138 4.640 0.026 0.000 0.247 860 D C 0.658 176.838 176.300 -0.201 0.000 1.128 860 D CA 0.115 54.020 54.000 -0.157 0.000 0.884 860 D CB 0.901 41.604 40.800 -0.162 0.000 1.194 860 D HN 0.491 nan 8.370 nan 0.000 0.441 861 R N 2.797 123.251 120.500 -0.077 0.000 2.343 861 R HA 0.488 4.844 4.340 0.026 0.000 0.320 861 R C -0.904 175.252 176.300 -0.241 0.000 0.956 861 R CA -0.565 55.456 56.100 -0.131 0.000 0.836 861 R CB 0.449 30.674 30.300 -0.124 0.000 1.151 861 R HN 0.405 nan 8.270 nan 0.000 0.450 862 I N 5.636 126.060 120.570 -0.244 0.000 2.354 862 I HA 0.241 4.426 4.170 0.026 0.000 0.286 862 I C -0.741 175.313 176.117 -0.104 0.000 1.007 862 I CA -0.923 60.310 61.300 -0.111 0.000 1.167 862 I CB 0.952 38.965 38.000 0.023 0.000 1.320 862 I HN 0.542 nan 8.210 nan 0.000 0.458 863 Y N 5.292 125.652 120.300 0.101 0.000 2.346 863 Y HA 0.126 4.690 4.550 0.023 0.000 0.330 863 Y C 1.224 177.196 175.900 0.121 0.000 1.178 863 Y CA -0.257 57.905 58.100 0.103 0.000 1.331 863 Y CB 0.307 38.810 38.460 0.072 0.000 1.253 863 Y HN 0.577 nan 8.280 nan 0.000 0.529 864 N N 0.786 119.652 118.700 0.277 0.000 2.727 864 N HA -0.316 4.440 4.740 0.026 0.000 0.249 864 N C -0.911 174.713 175.510 0.190 0.000 1.048 864 N CA 0.452 53.619 53.050 0.196 0.000 0.714 864 N CB -1.755 36.820 38.487 0.146 0.000 0.959 864 N HN 0.679 nan 8.380 nan 0.000 0.544 865 Y N 1.857 122.213 120.300 0.094 0.000 2.632 865 Y HA 0.153 4.720 4.550 0.030 0.000 0.329 865 Y C -1.892 174.060 175.900 0.087 0.000 1.174 865 Y CA -1.311 56.838 58.100 0.082 0.000 1.469 865 Y CB 0.593 39.097 38.460 0.074 0.000 1.242 865 Y HN 0.088 nan 8.280 nan 0.000 0.540 866 P HA 0.144 nan 4.420 nan 0.000 0.276 866 P C -1.336 175.794 177.300 -0.283 0.000 1.243 866 P CA 0.062 63.002 63.100 -0.268 0.000 0.768 866 P CB 0.931 32.489 31.700 -0.235 0.000 0.856 867 V N 5.832 125.699 119.914 -0.078 0.000 2.538 867 V HA 0.242 4.378 4.120 0.026 0.000 0.265 867 V C -2.287 173.811 176.094 0.008 0.000 0.977 867 V CA -1.914 60.380 62.300 -0.010 0.000 0.852 867 V CB 1.293 33.159 31.823 0.072 0.000 1.058 867 V HN 0.415 nan 8.190 nan 0.000 0.462 868 P HA 0.009 nan 4.420 nan 0.000 0.270 868 P C 0.993 178.307 177.300 0.023 0.000 1.221 868 P CA 0.238 63.344 63.100 0.011 0.000 0.788 868 P CB 0.768 32.472 31.700 0.007 0.000 0.904 869 Q N 1.491 121.305 119.800 0.024 0.000 2.152 869 Q HA -0.213 4.143 4.340 0.026 0.000 0.206 869 Q C 1.594 177.611 176.000 0.029 0.000 0.985 869 Q CA 2.401 58.216 55.803 0.019 0.000 0.863 869 Q CB -0.346 28.406 28.738 0.023 0.000 0.904 869 Q HN 0.565 nan 8.270 nan 0.000 0.422 870 S N -0.972 114.762 115.700 0.056 0.000 2.555 870 S HA 0.006 4.491 4.470 0.026 0.000 0.230 870 S C 0.212 174.932 174.600 0.200 0.000 0.978 870 S CA 0.115 58.382 58.200 0.111 0.000 0.934 870 S CB 0.065 63.305 63.200 0.067 0.000 0.766 870 S HN 0.314 nan 8.310 nan 0.000 0.533 871 E N 0.478 120.760 120.200 0.136 0.000 2.235 871 E HA 0.637 5.003 4.350 0.026 0.000 0.265 871 E C -1.227 175.456 176.600 0.139 0.000 0.940 871 E CA -0.703 55.804 56.400 0.177 0.000 0.819 871 E CB 1.922 31.672 29.700 0.083 0.000 1.206 871 E HN 0.142 nan 8.360 nan 0.000 0.409 872 S N 0.959 116.767 115.700 0.180 0.000 2.541 872 S HA 0.455 4.940 4.470 0.026 0.000 0.280 872 S C -2.758 171.833 174.600 -0.015 0.000 1.112 872 S CA -1.719 56.509 58.200 0.046 0.000 0.925 872 S CB 1.240 64.430 63.200 -0.016 0.000 1.067 872 S HN 0.146 nan 8.310 nan 0.000 0.479 873 P HA 0.426 nan 4.420 nan 0.000 0.274 873 P C -1.179 175.876 177.300 -0.409 0.000 1.291 873 P CA 0.158 63.150 63.100 -0.179 0.000 0.815 873 P CB -0.156 31.596 31.700 0.088 0.000 0.897 874 I N 4.305 124.418 120.570 -0.762 0.000 2.571 874 I HA 0.428 4.614 4.170 0.026 0.000 0.289 874 I C -0.728 175.001 176.117 -0.646 0.000 1.115 874 I CA -0.664 60.382 61.300 -0.424 0.000 1.045 874 I CB 1.683 39.661 38.000 -0.036 0.000 1.238 874 I HN 0.098 nan 8.210 nan 0.000 0.424 875 F N 4.942 124.957 119.950 0.107 0.000 2.556 875 F HA 0.552 5.096 4.527 0.028 0.000 0.314 875 F C -0.213 175.742 175.800 0.257 0.000 1.106 875 F CA -1.043 57.051 58.000 0.156 0.000 0.911 875 F CB 1.941 40.952 39.000 0.018 0.000 1.190 875 F HN -0.060 nan 8.300 nan 0.000 0.448 876 V N 3.170 123.265 119.914 0.302 0.000 2.407 876 V HA 0.416 4.552 4.120 0.026 0.000 0.278 876 V C 0.282 176.445 176.094 0.114 0.000 1.037 876 V CA -0.869 61.415 62.300 -0.028 0.000 0.900 876 V CB 1.348 32.640 31.823 -0.886 0.000 0.983 876 V HN 0.717 nan 8.190 nan 0.000 0.459 877 R N 3.402 123.885 120.500 -0.028 0.000 2.594 877 R HA 0.198 4.554 4.340 0.026 0.000 0.272 877 R C 0.583 176.784 176.300 -0.164 0.000 1.074 877 R CA -0.405 55.457 56.100 -0.396 0.000 1.105 877 R CB 0.667 30.599 30.300 -0.613 0.000 1.008 877 R HN 0.926 nan 8.270 nan 0.000 0.472 878 E N 1.888 122.019 120.200 -0.114 0.000 2.422 878 E HA 0.114 4.480 4.350 0.026 0.000 0.260 878 E C 0.451 177.034 176.600 -0.028 0.000 1.108 878 E CA 0.150 56.580 56.400 0.050 0.000 0.943 878 E CB 0.413 30.161 29.700 0.080 0.000 0.961 878 E HN 0.810 nan 8.360 nan 0.000 0.443 879 G N 0.848 109.656 108.800 0.013 0.000 2.155 879 G HA2 -0.295 3.681 3.960 0.026 0.000 0.257 879 G HA3 -0.295 3.681 3.960 0.026 0.000 0.257 879 G C 0.243 175.149 174.900 0.012 0.000 0.983 879 G CA 0.111 45.207 45.100 -0.006 0.000 0.676 879 G HN 0.974 nan 8.290 nan 0.000 0.528 880 A N -0.092 122.750 122.820 0.037 0.000 2.328 880 A HA 0.764 5.099 4.320 0.026 0.000 0.284 880 A C 0.215 177.900 177.584 0.169 0.000 1.160 880 A CA -0.253 51.819 52.037 0.058 0.000 0.818 880 A CB 0.485 19.422 19.000 -0.104 0.000 1.087 880 A HN 0.785 nan 8.150 nan 0.000 0.504 881 I N 3.374 124.022 120.570 0.129 0.000 2.382 881 I HA 0.299 4.485 4.170 0.026 0.000 0.286 881 I C -0.821 175.415 176.117 0.199 0.000 1.002 881 I CA -0.135 61.274 61.300 0.182 0.000 1.135 881 I CB 1.340 39.394 38.000 0.089 0.000 1.288 881 I HN 0.462 nan 8.210 nan 0.000 0.448 882 L N 8.039 129.412 121.223 0.251 0.000 2.307 882 L HA 0.532 4.887 4.340 0.026 0.000 0.284 882 L C -2.333 174.595 176.870 0.097 0.000 1.023 882 L CA -1.968 52.947 54.840 0.126 0.000 0.810 882 L CB 1.683 43.773 42.059 0.051 0.000 1.231 882 L HN 0.290 nan 8.230 nan 0.000 0.423 883 P HA 0.175 nan 4.420 nan 0.000 0.276 883 P C -0.886 176.346 177.300 -0.113 0.000 1.243 883 P CA -0.145 62.779 63.100 -0.294 0.000 0.768 883 P CB 1.076 32.586 31.700 -0.316 0.000 0.856 884 T N 4.128 118.626 114.554 -0.092 0.000 2.893 884 T HA 0.498 4.863 4.350 0.026 0.000 0.293 884 T C -0.219 174.411 174.700 -0.117 0.000 1.027 884 T CA -0.801 61.302 62.100 0.006 0.000 0.988 884 T CB 1.457 70.397 68.868 0.119 0.000 1.043 884 T HN 0.215 nan 8.240 nan 0.000 0.461 885 R N 1.448 121.829 120.500 -0.198 0.000 2.711 885 R HA 0.642 4.998 4.340 0.026 0.000 0.284 885 R C -1.458 174.678 176.300 -0.274 0.000 0.968 885 R CA -0.758 55.278 56.100 -0.106 0.000 0.924 885 R CB 1.487 31.813 30.300 0.042 0.000 1.162 885 R HN 0.655 nan 8.270 nan 0.000 0.465 886 Y N -0.919 119.532 120.300 0.252 0.000 2.545 886 Y HA 0.265 4.830 4.550 0.025 0.000 0.348 886 Y C 0.654 176.613 175.900 0.099 0.000 1.002 886 Y CA -0.851 57.373 58.100 0.207 0.000 1.039 886 Y CB 1.925 40.489 38.460 0.173 0.000 1.271 886 Y HN 0.566 nan 8.280 nan 0.000 0.467 887 T N -0.388 114.282 114.554 0.194 0.000 2.907 887 T HA 0.175 4.541 4.350 0.026 0.000 0.298 887 T C 0.848 175.563 174.700 0.026 0.000 1.017 887 T CA -0.624 61.444 62.100 -0.054 0.000 1.118 887 T CB 0.990 69.800 68.868 -0.095 0.000 0.948 887 T HN 0.660 nan 8.240 nan 0.000 0.531 888 L N 2.472 123.672 121.223 -0.039 0.000 2.083 888 L HA -0.045 4.311 4.340 0.026 0.000 0.209 888 L C 2.057 178.953 176.870 0.042 0.000 1.083 888 L CA 2.045 56.885 54.840 0.000 0.000 0.752 888 L CB -0.891 41.157 42.059 -0.018 0.000 0.899 888 L HN 0.942 nan 8.230 nan 0.000 0.433 889 N N -1.013 117.692 118.700 0.009 0.000 2.336 889 N HA 0.132 4.888 4.740 0.026 0.000 0.189 889 N C 1.373 176.893 175.510 0.017 0.000 1.113 889 N CA 0.785 53.840 53.050 0.008 0.000 0.858 889 N CB -0.012 38.469 38.487 -0.011 0.000 0.970 889 N HN 0.331 nan 8.380 nan 0.000 0.471 890 G N -0.514 108.312 108.800 0.044 0.000 2.179 890 G HA2 -0.301 3.675 3.960 0.026 0.000 0.260 890 G HA3 -0.301 3.675 3.960 0.026 0.000 0.260 890 G C -0.389 174.535 174.900 0.040 0.000 0.977 890 G CA 0.288 45.422 45.100 0.057 0.000 0.641 890 G HN 0.518 nan 8.290 nan 0.000 0.533 891 E N 0.802 121.015 120.200 0.022 0.000 2.313 891 E HA 0.341 4.707 4.350 0.026 0.000 0.272 891 E C -0.176 176.445 176.600 0.035 0.000 1.038 891 E CA -0.831 55.580 56.400 0.019 0.000 0.863 891 E CB 0.472 30.177 29.700 0.008 0.000 1.060 891 E HN 0.243 nan 8.360 nan 0.000 0.402 892 N N 3.523 122.248 118.700 0.041 0.000 2.470 892 N HA 0.061 4.817 4.740 0.026 0.000 0.268 892 N C -0.344 175.219 175.510 0.089 0.000 1.136 892 N CA 0.216 53.304 53.050 0.064 0.000 0.961 892 N CB 0.765 39.267 38.487 0.025 0.000 1.067 892 N HN 0.444 nan 8.380 nan 0.000 0.468 893 K N -1.195 119.292 120.400 0.144 0.000 2.433 893 K HA 0.495 4.831 4.320 0.026 0.000 0.252 893 K C -0.346 176.464 176.600 0.349 0.000 1.015 893 K CA -0.799 55.593 56.287 0.176 0.000 0.860 893 K CB 1.032 33.579 32.500 0.079 0.000 1.359 893 K HN 0.399 nan 8.250 nan 0.000 0.452 894 S N 0.650 116.527 115.700 0.295 0.000 2.579 894 S HA 0.081 4.566 4.470 0.026 0.000 0.275 894 S C 1.508 176.377 174.600 0.449 0.000 1.345 894 S CA -0.703 57.700 58.200 0.337 0.000 1.031 894 S CB 0.187 63.455 63.200 0.114 0.000 0.892 894 S HN 0.620 nan 8.310 nan 0.000 0.529 895 L N 1.531 122.901 121.223 0.246 0.000 2.079 895 L HA -0.200 4.156 4.340 0.026 0.000 0.210 895 L C 2.507 179.418 176.870 0.068 0.000 1.081 895 L CA 1.974 56.759 54.840 -0.091 0.000 0.752 895 L CB -1.097 40.738 42.059 -0.373 0.000 0.896 895 L HN 0.930 nan 8.230 nan 0.000 0.433 896 N N -0.730 118.018 118.700 0.081 0.000 2.520 896 N HA -0.149 4.607 4.740 0.026 0.000 0.185 896 N C 1.181 176.866 175.510 0.291 0.000 1.068 896 N CA 1.341 54.474 53.050 0.139 0.000 0.911 896 N CB -0.306 38.190 38.487 0.015 0.000 0.961 896 N HN 0.336 nan 8.380 nan 0.000 0.446 897 T N -4.900 109.817 114.554 0.272 0.000 3.134 897 T HA 0.184 4.550 4.350 0.026 0.000 0.260 897 T C -0.216 174.614 174.700 0.215 0.000 1.027 897 T CA -0.627 61.602 62.100 0.215 0.000 0.913 897 T CB -0.559 68.394 68.868 0.143 0.000 1.046 897 T HN 0.008 nan 8.240 nan 0.000 0.553 898 Y N 3.624 123.971 120.300 0.078 0.000 2.480 898 Y HA 0.416 4.981 4.550 0.025 0.000 0.338 898 Y C 1.494 177.428 175.900 0.056 0.000 1.220 898 Y CA -0.279 57.861 58.100 0.067 0.000 1.430 898 Y CB 0.648 39.143 38.460 0.059 0.000 1.311 898 Y HN 0.321 nan 8.280 nan 0.000 0.575 899 T N -2.436 112.203 114.554 0.142 0.000 2.905 899 T HA 0.283 4.648 4.350 0.026 0.000 0.283 899 T C 0.319 175.054 174.700 0.057 0.000 1.031 899 T CA -0.909 61.238 62.100 0.079 0.000 1.002 899 T CB 1.261 70.137 68.868 0.014 0.000 1.200 899 T HN 0.408 nan 8.240 nan 0.000 0.560 900 D N 0.209 120.555 120.400 -0.091 0.000 2.378 900 D HA 0.012 4.668 4.640 0.026 0.000 0.222 900 D C 1.410 177.589 176.300 -0.202 0.000 0.980 900 D CA 0.448 54.217 54.000 -0.386 0.000 0.907 900 D CB 0.075 40.306 40.800 -0.949 0.000 0.899 900 D HN 0.523 nan 8.370 nan 0.000 0.527 901 E N 0.574 120.734 120.200 -0.067 0.000 2.481 901 E HA -0.009 4.357 4.350 0.026 0.000 0.195 901 E C -0.134 176.486 176.600 0.034 0.000 1.047 901 E CA 0.273 56.670 56.400 -0.004 0.000 0.867 901 E CB 0.164 29.853 29.700 -0.018 0.000 0.858 901 E HN 0.341 nan 8.360 nan 0.000 0.513 902 D N 2.620 123.056 120.400 0.061 0.000 2.339 902 D HA 0.167 4.822 4.640 0.026 0.000 0.241 902 D C -2.386 174.031 176.300 0.195 0.000 1.183 902 D CA -1.753 52.285 54.000 0.062 0.000 0.859 902 D CB 1.099 41.882 40.800 -0.027 0.000 1.067 902 D HN -0.130 nan 8.370 nan 0.000 0.484 903 P HA -0.087 nan 4.420 nan 0.000 0.261 903 P C -0.216 177.273 177.300 0.316 0.000 1.173 903 P CA -0.179 63.014 63.100 0.155 0.000 0.760 903 P CB 0.453 31.861 31.700 -0.487 0.000 0.783 904 L N 6.008 127.480 121.223 0.415 0.000 2.275 904 L HA 0.453 4.809 4.340 0.026 0.000 0.288 904 L C -1.018 176.032 176.870 0.300 0.000 1.046 904 L CA -0.172 54.781 54.840 0.188 0.000 0.805 904 L CB 1.154 43.116 42.059 -0.161 0.000 1.193 904 L HN 0.056 nan 8.230 nan 0.000 0.426 905 V N 6.068 126.085 119.914 0.171 0.000 2.525 905 V HA 0.387 4.522 4.120 0.026 0.000 0.299 905 V C -0.666 175.475 176.094 0.079 0.000 1.034 905 V CA -0.396 62.112 62.300 0.346 0.000 0.863 905 V CB 1.443 33.604 31.823 0.563 0.000 0.999 905 V HN 0.513 nan 8.190 nan 0.000 0.423 906 F N 2.811 122.973 119.950 0.352 0.000 2.375 906 F HA 0.370 4.913 4.527 0.027 0.000 0.362 906 F C 0.761 176.643 175.800 0.137 0.000 1.129 906 F CA -0.170 57.987 58.000 0.261 0.000 1.154 906 F CB 0.814 40.030 39.000 0.360 0.000 1.205 906 F HN 0.518 nan 8.300 nan 0.000 0.513 907 E N 3.486 123.799 120.200 0.188 0.000 2.089 907 E HA 0.332 4.698 4.350 0.026 0.000 0.284 907 E C -1.108 175.463 176.600 -0.047 0.000 1.023 907 E CA -0.484 55.901 56.400 -0.025 0.000 0.819 907 E CB 0.893 30.562 29.700 -0.051 0.000 1.076 907 E HN 0.368 nan 8.360 nan 0.000 0.396 908 V N 6.756 126.589 119.914 -0.134 0.000 2.353 908 V HA 0.178 4.314 4.120 0.026 0.000 0.264 908 V C 0.008 175.967 176.094 -0.225 0.000 1.049 908 V CA -0.297 61.954 62.300 -0.082 0.000 0.896 908 V CB -0.477 31.309 31.823 -0.062 0.000 1.025 908 V HN 0.593 nan 8.190 nan 0.000 0.475 909 F N 5.607 125.494 119.950 -0.104 0.000 2.426 909 F HA 0.354 4.896 4.527 0.025 0.000 0.309 909 F C -1.524 174.162 175.800 -0.191 0.000 1.246 909 F CA -1.961 55.932 58.000 -0.179 0.000 1.229 909 F CB 0.001 38.889 39.000 -0.186 0.000 1.255 909 F HN 0.302 nan 8.300 nan 0.000 0.558 910 P HA 0.016 nan 4.420 nan 0.000 0.266 910 P C -0.684 176.617 177.300 0.002 0.000 1.195 910 P CA 0.143 63.174 63.100 -0.114 0.000 0.768 910 P CB 0.299 31.846 31.700 -0.254 0.000 0.838 911 L N 1.896 123.119 121.223 -0.001 0.000 2.461 911 L HA 0.338 4.694 4.340 0.026 0.000 0.272 911 L C 1.316 178.195 176.870 0.015 0.000 1.197 911 L CA -0.042 54.797 54.840 -0.001 0.000 0.836 911 L CB -0.040 42.008 42.059 -0.018 0.000 1.105 911 L HN 0.427 nan 8.230 nan 0.000 0.477 912 G N 1.249 110.046 108.800 -0.006 0.000 2.384 912 G HA2 0.234 4.210 3.960 0.026 0.000 0.316 912 G HA3 0.234 4.210 3.960 0.026 0.000 0.316 912 G C 0.116 175.000 174.900 -0.027 0.000 1.160 912 G CA -0.362 44.727 45.100 -0.019 0.000 0.936 912 G HN 0.793 nan 8.290 nan 0.000 0.455 913 N N 2.329 121.016 118.700 -0.022 0.000 2.725 913 N HA -0.200 4.556 4.740 0.026 0.000 0.251 913 N C 0.368 175.863 175.510 -0.025 0.000 1.031 913 N CA 1.086 54.122 53.050 -0.023 0.000 0.720 913 N CB -0.662 37.808 38.487 -0.029 0.000 0.930 913 N HN 0.831 nan 8.380 nan 0.000 0.543 914 N N -2.081 116.607 118.700 -0.021 0.000 2.741 914 N HA -0.241 4.515 4.740 0.026 0.000 0.251 914 N C 0.161 175.648 175.510 -0.037 0.000 1.112 914 N CA 1.728 54.762 53.050 -0.025 0.000 0.750 914 N CB -0.634 37.838 38.487 -0.024 0.000 1.119 914 N HN 0.799 nan 8.380 nan 0.000 0.561 915 R N -0.106 120.368 120.500 -0.042 0.000 2.698 915 R HA 0.789 5.145 4.340 0.026 0.000 0.275 915 R C -1.639 174.619 176.300 -0.070 0.000 1.001 915 R CA -0.204 55.859 56.100 -0.062 0.000 0.896 915 R CB 1.676 31.935 30.300 -0.068 0.000 1.218 915 R HN 0.066 nan 8.270 nan 0.000 0.462 916 A N 2.298 125.060 122.820 -0.097 0.000 2.556 916 A HA 0.665 5.001 4.320 0.026 0.000 0.294 916 A C -1.742 175.723 177.584 -0.198 0.000 1.091 916 A CA -0.734 51.235 52.037 -0.112 0.000 0.704 916 A CB 1.857 20.822 19.000 -0.059 0.000 1.300 916 A HN 0.769 nan 8.150 nan 0.000 0.406 917 D N -0.575 119.652 120.400 -0.288 0.000 2.661 917 D HA 0.654 5.310 4.640 0.026 0.000 0.228 917 D C -0.426 175.705 176.300 -0.282 0.000 1.183 917 D CA -0.066 53.670 54.000 -0.440 0.000 0.844 917 D CB 2.536 42.752 40.800 -0.974 0.000 1.555 917 D HN 0.972 nan 8.370 nan 0.000 0.453 918 G N -0.015 108.684 108.800 -0.169 0.000 2.660 918 G HA2 0.609 4.585 3.960 0.026 0.000 0.290 918 G HA3 0.609 4.585 3.960 0.026 0.000 0.290 918 G C -1.627 173.305 174.900 0.053 0.000 1.432 918 G CA -0.571 44.538 45.100 0.015 0.000 0.807 918 G HN 0.381 nan 8.290 nan 0.000 0.485 919 M N 0.108 119.796 119.600 0.145 0.000 2.465 919 M HA 0.631 5.127 4.480 0.026 0.000 0.284 919 M C -2.075 174.350 176.300 0.208 0.000 1.212 919 M CA -0.646 54.752 55.300 0.163 0.000 0.910 919 M CB 2.174 34.883 32.600 0.181 0.000 1.725 919 M HN 0.854 nan 8.290 nan 0.000 0.477 920 C N 4.003 123.435 119.300 0.221 0.000 2.607 920 C HA 0.517 4.992 4.460 0.026 0.000 0.350 920 C C -1.352 173.723 174.990 0.141 0.000 1.101 920 C CA -0.517 58.623 59.018 0.204 0.000 1.282 920 C CB 0.943 28.861 27.740 0.296 0.000 1.825 920 C HN 0.909 nan 8.230 nan 0.000 0.460 921 Y N 5.974 126.243 120.300 -0.052 0.000 2.319 921 Y HA 0.698 5.263 4.550 0.026 0.000 0.328 921 Y C -0.800 175.069 175.900 -0.051 0.000 1.133 921 Y CA 0.012 57.991 58.100 -0.201 0.000 1.265 921 Y CB 0.549 38.749 38.460 -0.434 0.000 1.218 921 Y HN 0.674 nan 8.280 nan 0.000 0.508 922 L N 6.936 127.750 121.223 -0.681 0.000 2.410 922 L HA 0.461 4.817 4.340 0.026 0.000 0.270 922 L C -1.217 175.179 176.870 -0.790 0.000 0.983 922 L CA -0.822 53.738 54.840 -0.467 0.000 0.822 922 L CB 1.963 43.994 42.059 -0.047 0.000 1.285 922 L HN 0.812 nan 8.230 nan 0.000 0.409 923 D N -0.147 119.809 120.400 -0.739 0.000 2.825 923 D HA 0.131 4.787 4.640 0.026 0.000 0.327 923 D C -0.302 175.434 176.300 -0.941 0.000 1.277 923 D CA -0.548 52.951 54.000 -0.836 0.000 0.950 923 D CB 0.643 41.279 40.800 -0.273 0.000 1.438 923 D HN 0.459 nan 8.370 nan 0.000 0.526 924 D N -1.363 118.719 120.400 -0.531 0.000 2.332 924 D HA 0.228 4.884 4.640 0.026 0.000 0.244 924 D C 1.531 177.805 176.300 -0.044 0.000 1.136 924 D CA 0.581 54.456 54.000 -0.209 0.000 0.884 924 D CB -0.494 40.343 40.800 0.062 0.000 0.906 924 D HN 0.912 nan 8.370 nan 0.000 0.520 925 G N -0.755 108.016 108.800 -0.048 0.000 2.184 925 G HA2 -0.172 3.804 3.960 0.026 0.000 0.264 925 G HA3 -0.172 3.804 3.960 0.026 0.000 0.264 925 G C 1.130 176.031 174.900 0.001 0.000 0.975 925 G CA 0.307 45.379 45.100 -0.047 0.000 0.642 925 G HN 1.468 nan 8.290 nan 0.000 0.536 926 G N -2.313 106.532 108.800 0.074 0.000 2.148 926 G HA2 -0.066 3.910 3.960 0.026 0.000 0.203 926 G HA3 -0.066 3.910 3.960 0.026 0.000 0.203 926 G C 1.213 176.250 174.900 0.228 0.000 0.993 926 G CA 0.976 46.122 45.100 0.075 0.000 0.661 926 G HN 1.404 nan 8.290 nan 0.000 0.518 927 V N 0.988 121.062 119.914 0.267 0.000 2.324 927 V HA -0.025 4.111 4.120 0.026 0.000 0.250 927 V C 2.086 178.217 176.094 0.061 0.000 1.060 927 V CA 2.855 65.242 62.300 0.145 0.000 1.042 927 V CB -0.747 31.096 31.823 0.035 0.000 0.650 927 V HN 1.127 nan 8.190 nan 0.000 0.450 928 T N -3.010 111.583 114.554 0.064 0.000 2.905 928 T HA 0.404 4.770 4.350 0.026 0.000 0.283 928 T C 0.410 175.138 174.700 0.047 0.000 1.031 928 T CA 0.208 62.334 62.100 0.043 0.000 1.002 928 T CB 1.740 70.631 68.868 0.038 0.000 1.200 928 T HN 0.263 nan 8.240 nan 0.000 0.560 929 T N -1.876 112.698 114.554 0.034 0.000 3.258 929 T HA 0.302 4.668 4.350 0.026 0.000 0.263 929 T C 0.677 175.405 174.700 0.046 0.000 0.983 929 T CA -0.537 61.582 62.100 0.030 0.000 0.907 929 T CB -1.134 67.741 68.868 0.012 0.000 1.096 929 T HN 0.640 nan 8.240 nan 0.000 0.556 930 N N 1.047 119.784 118.700 0.062 0.000 2.409 930 N HA 0.157 4.912 4.740 0.026 0.000 0.179 930 N C 2.211 177.795 175.510 0.123 0.000 1.032 930 N CA 0.658 53.753 53.050 0.075 0.000 0.898 930 N CB -0.089 38.438 38.487 0.066 0.000 0.971 930 N HN 0.532 nan 8.380 nan 0.000 0.441 931 A N 2.187 125.102 122.820 0.160 0.000 1.865 931 A HA -0.208 4.127 4.320 0.026 0.000 0.217 931 A C 2.074 179.824 177.584 0.275 0.000 1.191 931 A CA 1.634 53.854 52.037 0.305 0.000 0.623 931 A CB -0.389 18.756 19.000 0.242 0.000 0.826 931 A HN 0.434 nan 8.150 nan 0.000 0.444 932 E N -0.792 119.474 120.200 0.110 0.000 2.385 932 E HA -0.096 4.270 4.350 0.026 0.000 0.194 932 E C 0.402 177.033 176.600 0.052 0.000 1.013 932 E CA 1.123 57.552 56.400 0.049 0.000 0.866 932 E CB -0.304 29.381 29.700 -0.024 0.000 0.832 932 E HN 0.511 nan 8.360 nan 0.000 0.500 933 D N 1.095 121.530 120.400 0.058 0.000 2.277 933 D HA 0.035 4.691 4.640 0.026 0.000 0.209 933 D C 0.601 176.930 176.300 0.048 0.000 0.970 933 D CA 0.740 54.763 54.000 0.038 0.000 0.874 933 D CB 0.085 40.901 40.800 0.027 0.000 0.982 933 D HN 0.279 nan 8.370 nan 0.000 0.504 934 N N -1.398 117.344 118.700 0.071 0.000 2.116 934 N HA 0.274 5.030 4.740 0.026 0.000 0.230 934 N C 0.557 176.098 175.510 0.051 0.000 1.326 934 N CA 0.304 53.385 53.050 0.051 0.000 0.867 934 N CB 2.106 40.614 38.487 0.035 0.000 1.174 934 N HN 0.034 nan 8.380 nan 0.000 0.506 935 G N 1.374 110.249 108.800 0.124 0.000 2.160 935 G HA2 -0.296 3.680 3.960 0.026 0.000 0.251 935 G HA3 -0.296 3.680 3.960 0.026 0.000 0.251 935 G C -0.031 174.785 174.900 -0.140 0.000 1.008 935 G CA 0.054 45.184 45.100 0.050 0.000 0.724 935 G HN 0.055 nan 8.290 nan 0.000 0.514 936 K N 0.473 120.911 120.400 0.064 0.000 2.480 936 K HA 0.539 4.875 4.320 0.026 0.000 0.241 936 K C 0.203 176.880 176.600 0.129 0.000 1.261 936 K CA -0.301 56.005 56.287 0.031 0.000 1.193 936 K CB -0.908 31.636 32.500 0.074 0.000 1.598 936 K HN 0.617 nan 8.250 nan 0.000 0.278 937 F N -2.991 116.924 119.950 -0.057 0.000 2.715 937 F HA 0.713 5.256 4.527 0.027 0.000 0.318 937 F C -0.419 175.249 175.800 -0.220 0.000 1.141 937 F CA -1.195 56.687 58.000 -0.197 0.000 0.950 937 F CB 1.177 40.031 39.000 -0.244 0.000 1.374 937 F HN -0.181 nan 8.300 nan 0.000 0.477 938 S N 0.403 116.016 115.700 -0.144 0.000 2.548 938 S HA 0.788 5.273 4.470 0.026 0.000 0.286 938 S C -1.482 173.085 174.600 -0.056 0.000 1.098 938 S CA -0.769 57.346 58.200 -0.143 0.000 0.930 938 S CB 2.108 65.144 63.200 -0.273 0.000 1.070 938 S HN 0.607 nan 8.310 nan 0.000 0.480 939 V N 2.724 122.673 119.914 0.059 0.000 2.419 939 V HA 0.391 4.526 4.120 0.026 0.000 0.287 939 V C -0.679 175.490 176.094 0.125 0.000 1.017 939 V CA -0.620 61.721 62.300 0.068 0.000 0.844 939 V CB 1.437 33.325 31.823 0.109 0.000 1.011 939 V HN 0.698 nan 8.190 nan 0.000 0.429 940 V N 5.332 125.323 119.914 0.130 0.000 2.439 940 V HA 0.503 4.638 4.120 0.026 0.000 0.282 940 V C 0.158 176.292 176.094 0.067 0.000 1.039 940 V CA -0.675 61.694 62.300 0.114 0.000 0.913 940 V CB 1.683 33.591 31.823 0.142 0.000 0.983 940 V HN 0.775 nan 8.190 nan 0.000 0.460 941 K N 2.680 123.076 120.400 -0.007 0.000 2.267 941 K HA 0.847 5.182 4.320 0.026 0.000 0.246 941 K C -1.387 175.040 176.600 -0.289 0.000 0.954 941 K CA -0.763 55.476 56.287 -0.080 0.000 0.824 941 K CB 2.661 35.141 32.500 -0.032 0.000 1.167 941 K HN 0.421 nan 8.250 nan 0.000 0.431 942 V N 0.576 120.263 119.914 -0.378 0.000 2.971 942 V HA 0.825 4.961 4.120 0.026 0.000 0.309 942 V C -1.789 174.060 176.094 -0.408 0.000 1.130 942 V CA -0.408 61.496 62.300 -0.660 0.000 0.964 942 V CB 1.936 33.077 31.823 -1.136 0.000 1.029 942 V HN 0.941 nan 8.190 nan 0.000 0.427 943 A N 4.273 126.864 122.820 -0.381 0.000 2.498 943 A HA 1.046 5.381 4.320 0.026 0.000 0.298 943 A C -0.712 176.747 177.584 -0.207 0.000 1.075 943 A CA -0.146 51.742 52.037 -0.250 0.000 0.714 943 A CB 1.997 20.883 19.000 -0.189 0.000 1.299 943 A HN 2.119 nan 8.150 nan 0.000 0.407 944 A N 1.020 123.749 122.820 -0.152 0.000 2.414 944 A HA 0.816 5.152 4.320 0.026 0.000 0.306 944 A C -0.792 176.742 177.584 -0.084 0.000 1.054 944 A CA -0.402 51.572 52.037 -0.105 0.000 0.724 944 A CB 1.246 20.194 19.000 -0.087 0.000 1.267 944 A HN 0.751 nan 8.150 nan 0.000 0.418 945 E N 0.738 120.899 120.200 -0.064 0.000 2.290 945 E HA 0.341 4.707 4.350 0.026 0.000 0.274 945 E C -1.517 175.059 176.600 -0.040 0.000 0.889 945 E CA -0.662 55.707 56.400 -0.052 0.000 0.760 945 E CB 2.279 31.949 29.700 -0.050 0.000 1.206 945 E HN 0.599 nan 8.360 nan 0.000 0.419 946 Q N 2.079 121.857 119.800 -0.036 0.000 2.278 946 Q HA 0.255 4.611 4.340 0.026 0.000 0.257 946 Q C -1.574 174.411 176.000 -0.025 0.000 0.928 946 Q CA -0.215 55.571 55.803 -0.029 0.000 0.932 946 Q CB 1.030 29.752 28.738 -0.027 0.000 1.221 946 Q HN 0.297 nan 8.270 nan 0.000 0.434 947 D N 3.479 123.865 120.400 -0.023 0.000 2.375 947 D HA 0.485 5.141 4.640 0.026 0.000 0.259 947 D C 0.425 176.714 176.300 -0.018 0.000 1.235 947 D CA 0.759 54.747 54.000 -0.020 0.000 0.924 947 D CB 0.175 40.963 40.800 -0.020 0.000 1.143 947 D HN 0.684 nan 8.370 nan 0.000 0.529 948 G N 2.986 111.777 108.800 -0.016 0.000 2.591 948 G HA2 -0.282 3.694 3.960 0.026 0.000 0.298 948 G HA3 -0.282 3.694 3.960 0.026 0.000 0.298 948 G C 1.012 175.903 174.900 -0.016 0.000 1.195 948 G CA 0.190 45.282 45.100 -0.014 0.000 0.989 948 G HN 0.910 nan 8.290 nan 0.000 0.551 949 G N -0.067 108.724 108.800 -0.016 0.000 3.181 949 G HA2 0.446 4.422 3.960 0.026 0.000 0.219 949 G HA3 0.446 4.422 3.960 0.026 0.000 0.219 949 G C 0.412 175.299 174.900 -0.022 0.000 1.182 949 G CA 1.508 46.597 45.100 -0.018 0.000 0.791 949 G HN 1.002 nan 8.290 nan 0.000 0.537 950 T N 0.214 114.755 114.554 -0.022 0.000 2.809 950 T HA 0.417 4.783 4.350 0.026 0.000 0.284 950 T C -0.904 173.782 174.700 -0.024 0.000 0.992 950 T CA -0.481 61.606 62.100 -0.022 0.000 0.957 950 T CB 2.577 71.433 68.868 -0.019 0.000 0.942 950 T HN 0.225 nan 8.240 nan 0.000 0.439 951 E N 2.090 122.275 120.200 -0.027 0.000 2.175 951 E HA 0.483 4.849 4.350 0.026 0.000 0.278 951 E C -0.901 175.687 176.600 -0.019 0.000 0.969 951 E CA -0.566 55.817 56.400 -0.028 0.000 0.796 951 E CB 0.857 30.536 29.700 -0.036 0.000 1.104 951 E HN 0.458 nan 8.360 nan 0.000 0.395 952 T N 5.163 119.704 114.554 -0.021 0.000 2.786 952 T HA 0.442 4.808 4.350 0.026 0.000 0.283 952 T C -0.244 174.442 174.700 -0.024 0.000 0.992 952 T CA -0.484 61.609 62.100 -0.011 0.000 0.954 952 T CB 0.379 69.239 68.868 -0.013 0.000 0.934 952 T HN 0.363 nan 8.240 nan 0.000 0.440 953 I N 3.271 123.839 120.570 -0.003 0.000 2.355 953 I HA 0.347 4.533 4.170 0.026 0.000 0.288 953 I C -0.001 176.110 176.117 -0.011 0.000 0.999 953 I CA -0.642 60.642 61.300 -0.027 0.000 1.163 953 I CB 1.637 39.651 38.000 0.024 0.000 1.316 953 I HN 0.491 nan 8.210 nan 0.000 0.454 954 T N 6.123 120.603 114.554 -0.122 0.000 2.792 954 T HA 0.511 4.877 4.350 0.026 0.000 0.280 954 T C -0.534 174.018 174.700 -0.247 0.000 0.990 954 T CA -0.354 61.697 62.100 -0.083 0.000 0.960 954 T CB 0.754 69.579 68.868 -0.072 0.000 0.939 954 T HN 0.107 nan 8.240 nan 0.000 0.439 955 F N 2.994 122.874 119.950 -0.116 0.000 2.415 955 F HA 0.539 5.082 4.527 0.026 0.000 0.348 955 F C 1.258 176.971 175.800 -0.145 0.000 1.119 955 F CA -0.508 57.383 58.000 -0.182 0.000 1.069 955 F CB 1.483 40.339 39.000 -0.239 0.000 1.124 955 F HN 0.567 nan 8.300 nan 0.000 0.472 956 T N 0.066 114.613 114.554 -0.012 0.000 2.864 956 T HA 0.671 5.037 4.350 0.026 0.000 0.289 956 T C -1.026 173.670 174.700 -0.007 0.000 1.082 956 T CA -1.160 60.931 62.100 -0.015 0.000 1.009 956 T CB 2.051 70.905 68.868 -0.023 0.000 1.234 956 T HN 0.591 nan 8.240 nan 0.000 0.526 957 N N -1.048 117.655 118.700 0.005 0.000 2.225 957 N HA 0.474 5.230 4.740 0.026 0.000 0.298 957 N C -0.527 175.024 175.510 0.067 0.000 1.076 957 N CA -0.848 52.233 53.050 0.052 0.000 0.792 957 N CB 1.810 40.344 38.487 0.078 0.000 1.498 957 N HN 0.393 nan 8.380 nan 0.000 0.474 958 D N -0.164 120.295 120.400 0.099 0.000 2.249 958 D HA 0.088 4.744 4.640 0.026 0.000 0.205 958 D C 0.189 176.543 176.300 0.090 0.000 0.962 958 D CA 0.762 54.828 54.000 0.110 0.000 0.860 958 D CB -0.181 40.721 40.800 0.169 0.000 0.955 958 D HN 0.726 nan 8.370 nan 0.000 0.505 959 C N -2.132 117.217 119.300 0.082 0.000 3.302 959 C HA 0.591 5.066 4.460 0.026 0.000 0.347 959 C C -1.381 173.661 174.990 0.086 0.000 1.218 959 C CA -1.265 57.767 59.018 0.023 0.000 1.234 959 C CB 0.266 27.939 27.740 -0.111 0.000 1.551 959 C HN 0.175 nan 8.230 nan 0.000 0.501 960 Y N 0.745 120.990 120.300 -0.092 0.000 2.516 960 Y HA 0.469 5.035 4.550 0.026 0.000 0.329 960 Y C 0.867 176.721 175.900 -0.077 0.000 1.095 960 Y CA 0.009 58.070 58.100 -0.066 0.000 1.213 960 Y CB 0.489 38.924 38.460 -0.042 0.000 1.109 960 Y HN 0.919 nan 8.280 nan 0.000 0.630 961 E N 1.169 121.202 120.200 -0.278 0.000 2.364 961 E HA 0.052 4.417 4.350 0.026 0.000 0.196 961 E C -0.864 175.607 176.600 -0.215 0.000 0.990 961 E CA 0.354 56.623 56.400 -0.218 0.000 0.886 961 E CB 0.315 29.865 29.700 -0.251 0.000 0.866 961 E HN 0.461 nan 8.360 nan 0.000 0.493 962 Y N 0.428 120.467 120.300 -0.435 0.000 2.335 962 Y HA 0.407 4.973 4.550 0.027 0.000 0.339 962 Y C -0.924 174.640 175.900 -0.559 0.000 0.987 962 Y CA -1.114 56.766 58.100 -0.368 0.000 1.140 962 Y CB 0.871 39.174 38.460 -0.262 0.000 1.173 962 Y HN -0.336 nan 8.280 nan 0.000 0.486 963 V N 8.769 128.102 119.914 -0.968 0.000 2.389 963 V HA 0.039 4.175 4.120 0.026 0.000 0.264 963 V C -0.135 175.598 176.094 -0.602 0.000 1.049 963 V CA -0.520 61.438 62.300 -0.571 0.000 0.932 963 V CB -0.290 31.379 31.823 -0.257 0.000 1.011 963 V HN 0.688 nan 8.190 nan 0.000 0.475 964 F N 4.391 124.217 119.950 -0.207 0.000 2.541 964 F HA 0.421 4.964 4.527 0.026 0.000 0.378 964 F C 1.352 177.169 175.800 0.029 0.000 1.068 964 F CA 0.218 58.242 58.000 0.040 0.000 1.199 964 F CB 1.139 40.271 39.000 0.220 0.000 1.091 964 F HN 0.523 nan 8.300 nan 0.000 0.555 965 G N 4.003 112.514 108.800 -0.481 0.000 2.939 965 G HA2 0.311 4.287 3.960 0.026 0.000 0.210 965 G HA3 0.311 4.287 3.960 0.026 0.000 0.210 965 G C 0.472 175.243 174.900 -0.214 0.000 1.160 965 G CA 0.378 45.312 45.100 -0.277 0.000 0.770 965 G HN 0.968 nan 8.290 nan 0.000 0.543 966 G N -0.132 108.471 108.800 -0.328 0.000 2.568 966 G HA2 0.663 4.639 3.960 0.026 0.000 0.313 966 G HA3 0.663 4.639 3.960 0.026 0.000 0.313 966 G C -2.825 172.257 174.900 0.304 0.000 1.227 966 G CA -1.439 43.649 45.100 -0.021 0.000 0.979 966 G HN -0.052 nan 8.290 nan 0.000 0.486 967 P HA 0.279 nan 4.420 nan 0.000 0.270 967 P C -1.007 176.490 177.300 0.328 0.000 1.223 967 P CA -0.002 63.193 63.100 0.159 0.000 0.785 967 P CB 0.738 32.403 31.700 -0.059 0.000 0.923 968 F N -0.477 119.475 119.950 0.003 0.000 2.640 968 F HA 0.749 5.291 4.527 0.026 0.000 0.324 968 F C -1.358 174.388 175.800 -0.089 0.000 1.077 968 F CA -1.485 56.578 58.000 0.104 0.000 0.965 968 F CB 0.999 40.063 39.000 0.107 0.000 1.351 968 F HN 0.195 nan 8.300 nan 0.000 0.487 969 Y N 0.154 120.624 120.300 0.283 0.000 2.576 969 Y HA 0.709 5.275 4.550 0.027 0.000 0.346 969 Y C -0.872 175.268 175.900 0.401 0.000 1.018 969 Y CA -1.452 56.797 58.100 0.249 0.000 1.050 969 Y CB 2.369 41.136 38.460 0.512 0.000 1.280 969 Y HN 0.536 nan 8.280 nan 0.000 0.474 970 V N 2.552 122.722 119.914 0.426 0.000 2.495 970 V HA 0.506 4.641 4.120 0.026 0.000 0.298 970 V C -0.595 175.580 176.094 0.134 0.000 1.031 970 V CA -0.995 61.525 62.300 0.367 0.000 0.871 970 V CB 1.649 33.667 31.823 0.326 0.000 0.988 970 V HN 0.693 nan 8.190 nan 0.000 0.432 971 R N 3.912 124.362 120.500 -0.084 0.000 2.320 971 R HA 0.596 4.952 4.340 0.026 0.000 0.319 971 R C -1.599 174.490 176.300 -0.351 0.000 0.969 971 R CA -0.388 55.403 56.100 -0.515 0.000 0.857 971 R CB 1.530 31.218 30.300 -1.020 0.000 1.160 971 R HN 0.560 nan 8.270 nan 0.000 0.491 972 V N 5.956 125.706 119.914 -0.274 0.000 2.368 972 V HA 0.319 4.455 4.120 0.026 0.000 0.266 972 V C 0.568 176.518 176.094 -0.241 0.000 1.045 972 V CA -0.690 61.486 62.300 -0.206 0.000 0.899 972 V CB 0.914 32.663 31.823 -0.124 0.000 1.006 972 V HN 0.614 nan 8.190 nan 0.000 0.470 973 R N 3.399 123.737 120.500 -0.270 0.000 2.491 973 R HA 0.366 4.721 4.340 0.026 0.000 0.283 973 R C 1.352 177.558 176.300 -0.157 0.000 1.072 973 R CA 0.737 56.696 56.100 -0.235 0.000 1.048 973 R CB 0.567 30.677 30.300 -0.317 0.000 0.983 973 R HN 1.130 nan 8.270 nan 0.000 0.450 974 G N 0.644 109.379 108.800 -0.109 0.000 2.179 974 G HA2 -0.288 3.688 3.960 0.026 0.000 0.260 974 G HA3 -0.288 3.688 3.960 0.026 0.000 0.260 974 G C 0.053 174.915 174.900 -0.064 0.000 0.977 974 G CA 0.268 45.326 45.100 -0.070 0.000 0.641 974 G HN 0.857 nan 8.290 nan 0.000 0.533 975 A N -0.666 122.104 122.820 -0.083 0.000 2.325 975 A HA 0.891 5.227 4.320 0.026 0.000 0.333 975 A C 0.313 177.852 177.584 -0.075 0.000 1.155 975 A CA -0.158 51.833 52.037 -0.077 0.000 0.814 975 A CB 1.398 20.344 19.000 -0.089 0.000 1.206 975 A HN 0.210 nan 8.150 nan 0.000 0.482 976 Q N 0.033 119.796 119.800 -0.062 0.000 3.106 976 Q HA 0.354 4.710 4.340 0.026 0.000 0.219 976 Q C 0.193 176.162 176.000 -0.051 0.000 1.139 976 Q CA -0.470 55.301 55.803 -0.053 0.000 0.458 976 Q CB 0.078 28.796 28.738 -0.033 0.000 5.120 976 Q HN 0.698 nan 8.270 nan 0.000 0.295 977 S N 3.046 118.735 115.700 -0.019 0.000 2.498 977 S HA 0.216 4.702 4.470 0.026 0.000 0.281 977 S C -2.080 172.478 174.600 -0.070 0.000 1.265 977 S CA -0.871 57.326 58.200 -0.004 0.000 1.071 977 S CB 0.037 63.270 63.200 0.056 0.000 0.894 977 S HN 0.160 nan 8.310 nan 0.000 0.491 978 P HA 0.399 nan 4.420 nan 0.000 0.282 978 P C 0.233 177.464 177.300 -0.115 0.000 1.259 978 P CA -0.647 62.335 63.100 -0.196 0.000 0.826 978 P CB 1.281 32.758 31.700 -0.372 0.000 1.064 979 S N -0.194 115.466 115.700 -0.066 0.000 2.395 979 S HA -0.002 4.484 4.470 0.026 0.000 0.225 979 S C 0.855 175.452 174.600 -0.004 0.000 1.027 979 S CA 0.662 58.853 58.200 -0.014 0.000 0.965 979 S CB -0.347 62.850 63.200 -0.006 0.000 0.812 979 S HN 0.656 nan 8.310 nan 0.000 0.482 980 N N -0.259 118.413 118.700 -0.047 0.000 2.555 980 N HA 0.299 5.054 4.740 0.026 0.000 0.265 980 N C -2.220 173.257 175.510 -0.053 0.000 1.135 980 N CA -0.308 52.735 53.050 -0.012 0.000 0.925 980 N CB 1.200 39.705 38.487 0.030 0.000 1.662 980 N HN 0.008 nan 8.380 nan 0.000 0.489 981 I N 2.421 122.982 120.570 -0.016 0.000 2.439 981 I HA 0.218 4.404 4.170 0.026 0.000 0.285 981 I C -0.711 175.461 176.117 0.093 0.000 1.021 981 I CA -0.643 60.658 61.300 0.001 0.000 1.091 981 I CB 1.616 39.581 38.000 -0.059 0.000 1.242 981 I HN 0.521 nan 8.210 nan 0.000 0.439 982 H N 5.617 124.693 119.070 0.010 0.000 2.463 982 H HA 0.681 5.252 4.556 0.026 0.000 0.332 982 H C -1.332 174.011 175.328 0.025 0.000 1.127 982 H CA -0.392 55.668 56.048 0.021 0.000 1.238 982 H CB 1.601 31.371 29.762 0.014 0.000 1.478 982 H HN 0.269 nan 8.280 nan 0.000 0.499 983 V N 4.182 123.846 119.914 -0.418 0.000 2.444 983 V HA 0.292 4.427 4.120 0.026 0.000 0.294 983 V C -0.291 175.626 176.094 -0.296 0.000 1.022 983 V CA -0.736 61.430 62.300 -0.222 0.000 0.850 983 V CB 1.377 33.121 31.823 -0.132 0.000 0.992 983 V HN 0.814 nan 8.190 nan 0.000 0.426 984 S N 3.387 119.044 115.700 -0.072 0.000 2.454 984 S HA 0.824 5.309 4.470 0.026 0.000 0.306 984 S C -0.512 174.090 174.600 0.004 0.000 1.100 984 S CA -0.237 57.964 58.200 0.002 0.000 1.087 984 S CB 1.327 64.599 63.200 0.120 0.000 1.019 984 S HN 0.952 nan 8.310 nan 0.000 0.480 985 S N 2.554 118.249 115.700 -0.007 0.000 2.543 985 S HA 0.503 4.989 4.470 0.026 0.000 0.274 985 S C 1.041 175.632 174.600 -0.015 0.000 1.149 985 S CA -0.050 58.142 58.200 -0.013 0.000 0.866 985 S CB 0.676 63.860 63.200 -0.026 0.000 1.111 985 S HN 0.936 nan 8.310 nan 0.000 0.457 986 G N 2.288 111.076 108.800 -0.020 0.000 2.507 986 G HA2 -0.138 3.837 3.960 0.026 0.000 0.221 986 G HA3 -0.138 3.837 3.960 0.026 0.000 0.221 986 G C 1.466 176.356 174.900 -0.018 0.000 1.119 986 G CA 1.468 46.557 45.100 -0.018 0.000 0.751 986 G HN 1.114 nan 8.290 nan 0.000 0.574 987 A N -0.071 122.734 122.820 -0.025 0.000 1.832 987 A HA 0.496 4.831 4.320 0.026 0.000 0.214 987 A C 1.451 179.025 177.584 -0.017 0.000 1.200 987 A CA 1.728 53.752 52.037 -0.021 0.000 0.610 987 A CB -0.491 18.495 19.000 -0.024 0.000 0.842 987 A HN 1.205 nan 8.150 nan 0.000 0.444 988 G N -1.871 106.915 108.800 -0.023 0.000 2.720 988 G HA2 0.460 4.436 3.960 0.026 0.000 0.295 988 G HA3 0.460 4.436 3.960 0.026 0.000 0.295 988 G C -1.135 173.742 174.900 -0.038 0.000 1.437 988 G CA 0.330 45.416 45.100 -0.024 0.000 0.886 988 G HN 0.371 nan 8.290 nan 0.000 0.509 989 S N -0.071 115.612 115.700 -0.029 0.000 2.429 989 S HA 0.677 5.163 4.470 0.026 0.000 0.302 989 S C -0.349 174.191 174.600 -0.100 0.000 1.115 989 S CA -0.502 57.661 58.200 -0.061 0.000 1.095 989 S CB 1.067 64.301 63.200 0.057 0.000 0.987 989 S HN 0.713 nan 8.310 nan 0.000 0.474 990 Q N 3.334 122.983 119.800 -0.253 0.000 2.391 990 Q HA 0.303 4.659 4.340 0.026 0.000 0.279 990 Q C -1.897 173.964 176.000 -0.232 0.000 1.028 990 Q CA -0.763 54.944 55.803 -0.160 0.000 0.836 990 Q CB 1.389 30.075 28.738 -0.088 0.000 1.414 990 Q HN 0.513 nan 8.270 nan 0.000 0.397 991 D N 2.471 122.844 120.400 -0.045 0.000 2.313 991 D HA 0.345 5.001 4.640 0.026 0.000 0.247 991 D C 0.030 176.359 176.300 0.048 0.000 1.094 991 D CA 0.214 54.237 54.000 0.037 0.000 0.925 991 D CB 0.907 41.779 40.800 0.119 0.000 1.188 991 D HN 0.461 nan 8.370 nan 0.000 0.430 992 M N 0.909 120.574 119.600 0.108 0.000 2.368 992 M HA 0.318 4.814 4.480 0.026 0.000 0.311 992 M C 0.352 176.792 176.300 0.233 0.000 1.168 992 M CA -0.501 54.903 55.300 0.173 0.000 1.044 992 M CB 1.148 33.914 32.600 0.276 0.000 1.506 992 M HN 0.207 nan 8.290 nan 0.000 0.475 993 K N -0.308 120.171 120.400 0.131 0.000 2.435 993 K HA 0.607 4.943 4.320 0.026 0.000 0.251 993 K C -0.980 175.308 176.600 -0.520 0.000 0.954 993 K CA -1.013 55.259 56.287 -0.026 0.000 0.820 993 K CB 1.980 34.457 32.500 -0.039 0.000 1.292 993 K HN 0.449 nan 8.250 nan 0.000 0.436 994 V N 1.726 121.131 119.914 -0.849 0.000 2.694 994 V HA -0.004 4.132 4.120 0.026 0.000 0.306 994 V C 0.049 175.846 176.094 -0.495 0.000 1.054 994 V CA 0.434 62.040 62.300 -1.156 0.000 1.161 994 V CB 1.138 32.617 31.823 -0.572 0.000 0.916 994 V HN 0.917 nan 8.190 nan 0.000 0.490 995 S N 3.714 119.197 115.700 -0.362 0.000 2.603 995 S HA 0.192 4.678 4.470 0.026 0.000 0.268 995 S C 1.327 175.852 174.600 -0.125 0.000 1.317 995 S CA 0.017 58.118 58.200 -0.164 0.000 1.012 995 S CB 1.277 64.430 63.200 -0.077 0.000 0.926 995 S HN 1.275 nan 8.310 nan 0.000 0.539 996 S N 2.526 118.160 115.700 -0.109 0.000 2.558 996 S HA 0.311 4.797 4.470 0.026 0.000 0.217 996 S C 0.652 175.176 174.600 -0.127 0.000 0.975 996 S CA 0.075 58.218 58.200 -0.096 0.000 0.912 996 S CB -0.303 62.850 63.200 -0.079 0.000 0.776 996 S HN 0.905 nan 8.310 nan 0.000 0.526 997 A N 2.185 124.898 122.820 -0.179 0.000 2.440 997 A HA 0.513 4.849 4.320 0.026 0.000 0.251 997 A C 1.014 178.350 177.584 -0.414 0.000 1.089 997 A CA 0.104 51.962 52.037 -0.299 0.000 0.779 997 A CB 0.172 18.954 19.000 -0.364 0.000 1.022 997 A HN 0.560 nan 8.150 nan 0.000 0.492 998 T N -1.211 113.090 114.554 -0.422 0.000 3.228 998 T HA 0.469 4.834 4.350 0.026 0.000 0.278 998 T C 0.230 174.628 174.700 -0.503 0.000 1.014 998 T CA 0.344 62.243 62.100 -0.335 0.000 0.904 998 T CB -0.879 67.934 68.868 -0.091 0.000 1.110 998 T HN 1.414 nan 8.240 nan 0.000 0.541 999 S N -0.453 114.652 115.700 -0.992 0.000 2.625 999 S HA 0.547 5.033 4.470 0.026 0.000 0.271 999 S C 0.577 174.202 174.600 -1.624 0.000 1.161 999 S CA -1.095 56.475 58.200 -1.050 0.000 0.820 999 S CB 2.197 65.086 63.200 -0.518 0.000 1.137 999 S HN 0.104 nan 8.310 nan 0.000 0.470 1000 R N 0.084 119.764 120.500 -1.367 0.000 2.073 1000 R HA 0.066 4.422 4.340 0.026 0.000 0.229 1000 R C 2.286 177.815 176.300 -1.284 0.000 1.120 1000 R CA 1.461 56.672 56.100 -1.480 0.000 0.967 1000 R CB -1.002 28.590 30.300 -1.180 0.000 0.862 1000 R HN 0.824 nan 8.270 nan 0.000 0.436 1001 A N 0.824 123.170 122.820 -0.791 0.000 1.940 1001 A HA -0.133 4.203 4.320 0.026 0.000 0.219 1001 A C 2.290 179.657 177.584 -0.361 0.000 1.176 1001 A CA 1.812 53.572 52.037 -0.462 0.000 0.631 1001 A CB -0.614 18.221 19.000 -0.275 0.000 0.814 1001 A HN 0.534 nan 8.150 nan 0.000 0.446 1002 A N -0.734 121.817 122.820 -0.449 0.000 1.897 1002 A HA 0.075 4.411 4.320 0.026 0.000 0.215 1002 A C 2.103 179.493 177.584 -0.323 0.000 1.181 1002 A CA 1.491 53.323 52.037 -0.343 0.000 0.620 1002 A CB -0.584 18.198 19.000 -0.363 0.000 0.821 1002 A HN 0.644 nan 8.150 nan 0.000 0.443 1003 L N -1.228 119.685 121.223 -0.517 0.000 2.042 1003 L HA -0.121 4.234 4.340 0.026 0.000 0.210 1003 L C 2.132 179.028 176.870 0.043 0.000 1.076 1003 L CA 1.907 56.567 54.840 -0.300 0.000 0.749 1003 L CB -0.624 41.168 42.059 -0.446 0.000 0.893 1003 L HN 0.335 nan 8.230 nan 0.000 0.432 1004 F N 0.069 119.899 119.950 -0.200 0.000 2.102 1004 F HA -0.165 4.377 4.527 0.025 0.000 0.298 1004 F C 2.550 178.348 175.800 -0.003 0.000 1.105 1004 F CA 1.310 59.269 58.000 -0.068 0.000 1.239 1004 F CB -1.212 37.682 39.000 -0.177 0.000 0.991 1004 F HN 0.287 nan 8.300 nan 0.000 0.474 1005 N N -0.578 118.197 118.700 0.126 0.000 2.402 1005 N HA -0.076 4.680 4.740 0.026 0.000 0.174 1005 N C 0.714 176.237 175.510 0.021 0.000 1.027 1005 N CA 1.095 54.179 53.050 0.058 0.000 0.891 1005 N CB 0.145 38.638 38.487 0.010 0.000 1.016 1005 N HN 0.233 nan 8.380 nan 0.000 0.439 1006 D N -0.293 120.100 120.400 -0.011 0.000 2.473 1006 D HA 0.094 4.750 4.640 0.026 0.000 0.230 1006 D C 0.906 177.190 176.300 -0.027 0.000 1.097 1006 D CA 0.080 54.061 54.000 -0.033 0.000 0.861 1006 D CB 0.177 40.934 40.800 -0.072 0.000 1.114 1006 D HN 0.014 nan 8.370 nan 0.000 0.500 1007 G N 1.237 110.029 108.800 -0.013 0.000 2.414 1007 G HA2 0.131 4.107 3.960 0.026 0.000 0.236 1007 G HA3 0.131 4.107 3.960 0.026 0.000 0.236 1007 G C 0.068 174.980 174.900 0.020 0.000 1.293 1007 G CA -0.129 44.971 45.100 0.001 0.000 0.869 1007 G HN -0.017 nan 8.290 nan 0.000 0.556 1008 E N 1.298 121.496 120.200 -0.004 0.000 2.313 1008 E HA 0.090 4.456 4.350 0.026 0.000 0.272 1008 E C -0.180 176.410 176.600 -0.017 0.000 1.038 1008 E CA -0.815 55.579 56.400 -0.011 0.000 0.863 1008 E CB 0.851 30.537 29.700 -0.023 0.000 1.060 1008 E HN 0.392 nan 8.360 nan 0.000 0.402 1009 N N 1.018 119.698 118.700 -0.034 0.000 2.357 1009 N HA 0.026 4.782 4.740 0.026 0.000 0.257 1009 N C 0.838 176.318 175.510 -0.051 0.000 1.250 1009 N CA 1.245 54.255 53.050 -0.066 0.000 0.862 1009 N CB 0.740 39.188 38.487 -0.065 0.000 1.066 1009 N HN 0.865 nan 8.380 nan 0.000 0.468 1010 G N 1.096 109.862 108.800 -0.057 0.000 2.175 1010 G HA2 -0.229 3.747 3.960 0.026 0.000 0.244 1010 G HA3 -0.229 3.747 3.960 0.026 0.000 0.244 1010 G C -0.426 174.490 174.900 0.027 0.000 0.982 1010 G CA -0.242 44.847 45.100 -0.018 0.000 0.641 1010 G HN 0.571 nan 8.290 nan 0.000 0.527 1011 D N 0.443 120.857 120.400 0.023 0.000 2.255 1011 D HA 0.596 5.252 4.640 0.026 0.000 0.249 1011 D C 0.587 176.982 176.300 0.157 0.000 1.078 1011 D CA -0.081 53.930 54.000 0.019 0.000 0.896 1011 D CB 0.666 41.472 40.800 0.010 0.000 1.194 1011 D HN 0.389 nan 8.370 nan 0.000 0.429 1012 F N -0.085 119.951 119.950 0.144 0.000 2.507 1012 F HA 0.742 5.284 4.527 0.026 0.000 0.327 1012 F C -1.013 174.968 175.800 0.303 0.000 1.068 1012 F CA -1.403 56.724 58.000 0.213 0.000 0.965 1012 F CB 1.189 40.278 39.000 0.148 0.000 1.192 1012 F HN 0.244 nan 8.300 nan 0.000 0.476 1013 W N 4.268 125.801 121.300 0.388 0.000 2.830 1013 W HA 0.636 5.311 4.660 0.025 0.000 0.335 1013 W C -2.161 174.555 176.519 0.329 0.000 1.043 1013 W CA -1.809 55.671 57.345 0.225 0.000 1.239 1013 W CB 1.551 31.044 29.460 0.055 0.000 1.378 1013 W HN 0.534 nan 8.180 nan 0.000 0.456 1014 V N 6.556 126.439 119.914 -0.051 0.000 2.397 1014 V HA 0.022 4.158 4.120 0.026 0.000 0.262 1014 V C -0.019 175.626 176.094 -0.748 0.000 1.047 1014 V CA 0.144 62.307 62.300 -0.229 0.000 1.003 1014 V CB 0.523 32.359 31.823 0.023 0.000 1.037 1014 V HN 0.449 nan 8.190 nan 0.000 0.480 1015 D N 4.427 124.302 120.400 -0.875 0.000 2.479 1015 D HA 0.195 4.851 4.640 0.026 0.000 0.218 1015 D C 1.114 177.216 176.300 -0.331 0.000 1.131 1015 D CA -0.109 53.297 54.000 -0.990 0.000 0.916 1015 D CB 1.131 41.298 40.800 -1.055 0.000 1.022 1015 D HN 0.573 nan 8.370 nan 0.000 0.515 1016 Q N 2.031 121.723 119.800 -0.179 0.000 2.119 1016 Q HA -0.161 4.195 4.340 0.026 0.000 0.201 1016 Q C 1.501 177.485 176.000 -0.027 0.000 0.972 1016 Q CA 0.877 56.642 55.803 -0.064 0.000 0.847 1016 Q CB 0.179 28.908 28.738 -0.014 0.000 0.903 1016 Q HN 0.648 nan 8.270 nan 0.000 0.433 1017 E N 0.572 120.768 120.200 -0.006 0.000 2.130 1017 E HA -0.201 4.165 4.350 0.026 0.000 0.196 1017 E C 1.362 177.977 176.600 0.025 0.000 0.998 1017 E CA 1.739 58.152 56.400 0.021 0.000 0.806 1017 E CB 0.141 29.870 29.700 0.048 0.000 0.738 1017 E HN 0.391 nan 8.360 nan 0.000 0.459 1018 T N -2.678 111.892 114.554 0.027 0.000 3.132 1018 T HA 0.101 4.466 4.350 0.026 0.000 0.274 1018 T C 0.101 174.820 174.700 0.031 0.000 1.011 1018 T CA 0.383 62.520 62.100 0.060 0.000 0.899 1018 T CB 0.189 69.133 68.868 0.127 0.000 1.089 1018 T HN 0.151 nan 8.240 nan 0.000 0.543 1019 D N 0.909 121.304 120.400 -0.009 0.000 2.686 1019 D HA -0.154 4.502 4.640 0.026 0.000 0.235 1019 D C -0.746 175.517 176.300 -0.062 0.000 1.160 1019 D CA 0.632 54.615 54.000 -0.029 0.000 0.645 1019 D CB -1.390 39.410 40.800 -0.000 0.000 1.039 1019 D HN 0.561 nan 8.370 nan 0.000 0.423 1020 S N -0.382 115.266 115.700 -0.087 0.000 2.566 1020 S HA 0.718 5.203 4.470 0.026 0.000 0.298 1020 S C -0.698 173.815 174.600 -0.145 0.000 1.083 1020 S CA -0.922 57.187 58.200 -0.153 0.000 0.978 1020 S CB 2.134 65.206 63.200 -0.214 0.000 1.073 1020 S HN 0.315 nan 8.310 nan 0.000 0.491 1021 L N 2.221 123.347 121.223 -0.162 0.000 2.296 1021 L HA 0.670 5.025 4.340 0.026 0.000 0.286 1021 L C -1.978 174.883 176.870 -0.016 0.000 1.023 1021 L CA -0.215 54.597 54.840 -0.047 0.000 0.812 1021 L CB 0.453 42.477 42.059 -0.059 0.000 1.223 1021 L HN 0.701 nan 8.230 nan 0.000 0.421 1022 W N 5.997 127.340 121.300 0.071 0.000 2.478 1022 W HA 0.609 5.283 4.660 0.024 0.000 0.318 1022 W C -1.143 175.572 176.519 0.326 0.000 1.062 1022 W CA -0.449 57.044 57.345 0.246 0.000 1.210 1022 W CB 1.352 31.038 29.460 0.377 0.000 1.325 1022 W HN 0.205 nan 8.180 nan 0.000 0.496 1023 L N 3.532 125.048 121.223 0.488 0.000 2.313 1023 L HA 0.385 4.741 4.340 0.026 0.000 0.283 1023 L C 0.010 177.034 176.870 0.256 0.000 1.013 1023 L CA -1.123 53.917 54.840 0.334 0.000 0.816 1023 L CB 1.454 43.614 42.059 0.169 0.000 1.236 1023 L HN 0.285 nan 8.230 nan 0.000 0.419 1024 K N 4.311 124.793 120.400 0.135 0.000 2.263 1024 K HA 0.716 5.052 4.320 0.026 0.000 0.272 1024 K C -1.361 175.027 176.600 -0.354 0.000 1.033 1024 K CA -0.347 55.796 56.287 -0.239 0.000 0.884 1024 K CB 0.616 33.098 32.500 -0.031 0.000 1.107 1024 K HN 0.550 nan 8.250 nan 0.000 0.460 1025 L N 5.914 126.741 121.223 -0.660 0.000 2.341 1025 L HA 0.599 4.955 4.340 0.026 0.000 0.267 1025 L C -2.200 174.401 176.870 -0.449 0.000 1.009 1025 L CA -2.561 51.918 54.840 -0.601 0.000 0.819 1025 L CB 2.157 43.657 42.059 -0.931 0.000 1.323 1025 L HN 0.631 nan 8.230 nan 0.000 0.425 1026 P HA 0.092 nan 4.420 nan 0.000 0.277 1026 P C -0.129 177.251 177.300 0.133 0.000 1.240 1026 P CA -0.405 62.674 63.100 -0.035 0.000 0.798 1026 P CB 0.614 32.300 31.700 -0.023 0.000 0.979 1027 N N 1.913 120.731 118.700 0.196 0.000 2.149 1027 N HA -0.152 4.604 4.740 0.026 0.000 0.188 1027 N C 1.328 176.948 175.510 0.184 0.000 1.019 1027 N CA 2.267 55.500 53.050 0.306 0.000 0.857 1027 N CB -1.770 36.874 38.487 0.262 0.000 0.997 1027 N HN 0.288 nan 8.380 nan 0.000 0.426 1028 V N -0.232 119.738 119.914 0.093 0.000 2.720 1028 V HA -0.087 4.048 4.120 0.026 0.000 0.256 1028 V C 2.384 178.459 176.094 -0.031 0.000 1.082 1028 V CA 1.556 63.867 62.300 0.018 0.000 1.101 1028 V CB -1.240 30.586 31.823 0.005 0.000 0.693 1028 V HN 0.323 nan 8.190 nan 0.000 0.479 1029 V N -2.964 116.967 119.914 0.029 0.000 3.649 1029 V HA 0.202 4.338 4.120 0.026 0.000 0.275 1029 V C 2.112 178.138 176.094 -0.112 0.000 1.281 1029 V CA 0.958 63.253 62.300 -0.008 0.000 1.143 1029 V CB -0.009 31.830 31.823 0.026 0.000 0.892 1029 V HN 0.423 nan 8.190 nan 0.000 0.441 1030 L N 1.954 123.031 121.223 -0.244 0.000 2.017 1030 L HA 0.099 4.455 4.340 0.026 0.000 0.208 1030 L C -0.196 176.345 176.870 -0.548 0.000 1.073 1030 L CA 2.524 56.907 54.840 -0.761 0.000 0.745 1030 L CB -1.456 40.168 42.059 -0.725 0.000 0.894 1030 L HN 0.336 nan 8.230 nan 0.000 0.432 1031 P HA 0.024 nan 4.420 nan 0.000 0.233 1031 P C -1.146 176.007 177.300 -0.245 0.000 1.167 1031 P CA 0.852 63.607 63.100 -0.576 0.000 0.770 1031 P CB -0.160 30.951 31.700 -0.981 0.000 0.837 1032 D N -1.262 119.037 120.400 -0.168 0.000 2.400 1032 D HA 0.454 5.109 4.640 0.026 0.000 0.197 1032 D C -1.509 174.782 176.300 -0.015 0.000 1.295 1032 D CA -0.634 53.329 54.000 -0.060 0.000 0.878 1032 D CB 0.788 41.545 40.800 -0.073 0.000 1.659 1032 D HN -0.018 nan 8.370 nan 0.000 0.546 1033 A N 1.302 124.158 122.820 0.061 0.000 2.577 1033 A HA 0.586 4.922 4.320 0.026 0.000 0.297 1033 A C -1.695 175.959 177.584 0.117 0.000 1.060 1033 A CA -0.739 51.345 52.037 0.079 0.000 0.697 1033 A CB 1.944 20.991 19.000 0.079 0.000 1.281 1033 A HN 0.389 nan 8.150 nan 0.000 0.402 1034 V N 2.931 122.897 119.914 0.086 0.000 2.350 1034 V HA 0.434 4.570 4.120 0.026 0.000 0.285 1034 V C -0.438 175.715 176.094 0.098 0.000 1.014 1034 V CA -0.097 62.255 62.300 0.086 0.000 0.831 1034 V CB 1.029 32.894 31.823 0.070 0.000 1.000 1034 V HN 0.669 nan 8.190 nan 0.000 0.433 1035 I N 4.774 125.406 120.570 0.104 0.000 2.339 1035 I HA 0.439 4.625 4.170 0.026 0.000 0.290 1035 I C 0.324 176.484 176.117 0.072 0.000 0.994 1035 I CA -0.166 61.190 61.300 0.092 0.000 1.191 1035 I CB 1.991 40.062 38.000 0.117 0.000 1.343 1035 I HN 0.683 nan 8.210 nan 0.000 0.458 1036 T N 5.273 119.877 114.554 0.083 0.000 2.809 1036 T HA 0.626 4.992 4.350 0.026 0.000 0.296 1036 T C -0.492 174.225 174.700 0.029 0.000 1.015 1036 T CA -0.568 61.564 62.100 0.053 0.000 0.954 1036 T CB 0.414 69.315 68.868 0.055 0.000 0.950 1036 T HN 0.299 nan 8.240 nan 0.000 0.450 1037 I N 3.539 124.105 120.570 -0.007 0.000 2.331 1037 I HA 0.459 4.645 4.170 0.026 0.000 0.292 1037 I C 0.795 176.886 176.117 -0.043 0.000 0.998 1037 I CA -0.438 60.834 61.300 -0.045 0.000 1.267 1037 I CB 1.653 39.613 38.000 -0.068 0.000 1.386 1037 I HN 0.653 nan 8.210 nan 0.000 0.476 1038 T N 0.000 114.524 114.554 -0.051 0.000 3.816 1038 T HA 0.000 4.366 4.350 0.026 0.000 0.228 1038 T CA 0.000 62.077 62.100 -0.039 0.000 1.349 1038 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658