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 2x2i_1_D 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 0.000 174.683 174.700 -0.028 0.000 1.109 14 T CA 0.000 62.090 62.100 -0.017 0.000 1.349 14 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 15 D N 0.390 120.777 120.400 -0.021 0.000 2.887 15 D HA 0.327 4.967 4.640 0.000 0.000 0.221 15 D C 0.063 176.348 176.300 -0.024 0.000 1.276 15 D CA -0.765 53.218 54.000 -0.028 0.000 1.078 15 D CB -0.200 40.595 40.800 -0.008 0.000 1.217 15 D HN 0.712 nan 8.370 nan 0.000 0.631 16 N N 2.052 120.761 118.700 0.015 0.000 2.974 16 N HA -0.140 4.600 4.740 0.000 0.000 0.298 16 N C -1.544 173.977 175.510 0.019 0.000 1.048 16 N CA -0.181 52.910 53.050 0.068 0.000 0.849 16 N CB -0.088 38.493 38.487 0.157 0.000 0.952 16 N HN 0.157 nan 8.380 nan 0.000 0.615 17 P HA -0.061 nan 4.420 nan 0.000 0.217 17 P C 0.215 177.496 177.300 -0.033 0.000 1.151 17 P CA 1.065 64.105 63.100 -0.100 0.000 0.828 17 P CB 0.231 31.757 31.700 -0.290 0.000 0.788 18 D N -0.115 120.290 120.400 0.007 0.000 2.325 18 D HA 0.111 4.751 4.640 0.000 0.000 0.234 18 D C 0.805 177.107 176.300 0.004 0.000 1.122 18 D CA 0.239 54.248 54.000 0.015 0.000 0.850 18 D CB -0.628 40.192 40.800 0.032 0.000 0.921 18 D HN 0.116 nan 8.370 nan 0.000 0.513 19 G N 2.230 111.041 108.800 0.018 0.000 2.266 19 G HA2 -0.263 3.697 3.960 0.000 0.000 0.269 19 G HA3 -0.263 3.697 3.960 0.000 0.000 0.269 19 G C 0.393 175.271 174.900 -0.036 0.000 0.863 19 G CA -0.009 45.102 45.100 0.017 0.000 1.268 19 G HN 0.277 nan 8.290 nan 0.000 0.426 20 I N 0.405 120.917 120.570 -0.096 0.000 2.472 20 I HA 0.255 4.425 4.170 0.000 0.000 0.290 20 I C 0.211 176.052 176.117 -0.460 0.000 1.016 20 I CA -0.866 60.231 61.300 -0.339 0.000 1.348 20 I CB 1.547 39.205 38.000 -0.570 0.000 1.417 20 I HN 0.209 nan 8.210 nan 0.000 0.521 21 D N 6.071 126.266 120.400 -0.341 0.000 2.359 21 D HA 0.206 4.846 4.640 0.000 0.000 0.230 21 D C -1.031 175.121 176.300 -0.246 0.000 1.118 21 D CA -0.334 53.556 54.000 -0.184 0.000 0.844 21 D CB 0.316 41.092 40.800 -0.039 0.000 1.059 21 D HN 0.192 nan 8.370 nan 0.000 0.493 22 Y N 3.307 123.663 120.300 0.093 0.000 2.452 22 Y HA 0.242 4.792 4.550 0.000 0.000 0.348 22 Y C 1.477 177.359 175.900 -0.030 0.000 0.985 22 Y CA -0.465 57.669 58.100 0.057 0.000 1.214 22 Y CB 1.134 39.529 38.460 -0.107 0.000 1.136 22 Y HN 0.159 nan 8.280 nan 0.000 0.523 23 K N 1.658 122.095 120.400 0.061 0.000 2.358 23 K HA 0.230 4.550 4.320 0.000 0.000 0.200 23 K C -0.234 176.388 176.600 0.036 0.000 1.030 23 K CA 0.155 56.467 56.287 0.042 0.000 1.097 23 K CB 0.746 33.239 32.500 -0.011 0.000 0.862 23 K HN 0.526 nan 8.250 nan 0.000 0.534 24 T N -0.338 114.224 114.554 0.014 0.000 2.906 24 T HA 0.474 4.824 4.350 0.000 0.000 0.295 24 T C -0.465 174.229 174.700 -0.010 0.000 1.061 24 T CA -0.407 61.739 62.100 0.076 0.000 1.000 24 T CB 1.374 70.292 68.868 0.083 0.000 1.103 24 T HN -0.014 nan 8.240 nan 0.000 0.486 25 Y N -0.758 119.709 120.300 0.278 0.000 2.713 25 Y HA 0.231 4.782 4.550 0.000 0.000 0.265 25 Y C 0.727 176.807 175.900 0.300 0.000 1.177 25 Y CA -0.426 57.843 58.100 0.283 0.000 1.144 25 Y CB 0.433 39.060 38.460 0.278 0.000 1.360 25 Y HN 0.490 nan 8.280 nan 0.000 0.491 26 D N 0.450 121.129 120.400 0.465 0.000 2.357 26 D HA -0.024 4.616 4.640 0.000 0.000 0.242 26 D C -0.421 175.879 176.300 -0.000 0.000 1.153 26 D CA -0.104 54.167 54.000 0.451 0.000 0.918 26 D CB 0.458 41.617 40.800 0.599 0.000 1.181 26 D HN 0.011 nan 8.370 nan 0.000 0.435 27 Y N 1.174 120.984 120.300 -0.817 0.000 2.895 27 Y HA 0.036 4.586 4.550 0.000 0.000 0.334 27 Y C -0.607 174.876 175.900 -0.695 0.000 1.261 27 Y CA 0.174 57.498 58.100 -1.292 0.000 1.560 27 Y CB 0.196 37.271 38.460 -2.308 0.000 1.253 27 Y HN -0.048 nan 8.280 nan 0.000 0.582 28 V N 7.909 127.282 119.914 -0.901 0.000 2.357 28 V HA 0.445 4.565 4.120 0.000 0.000 0.284 28 V C 0.779 176.168 176.094 -1.176 0.000 1.018 28 V CA -0.448 61.424 62.300 -0.712 0.000 0.841 28 V CB 0.935 32.605 31.823 -0.255 0.000 0.991 28 V HN 1.084 nan 8.190 nan 0.000 0.437 29 G N 2.504 110.438 108.800 -1.442 0.000 2.667 29 G HA2 0.321 4.281 3.960 0.000 0.000 0.250 29 G HA3 0.321 4.281 3.960 0.000 0.000 0.250 29 G C 1.297 175.290 174.900 -1.513 0.000 1.212 29 G CA 0.176 44.032 45.100 -2.073 0.000 0.874 29 G HN 1.006 nan 8.290 nan 0.000 0.561 30 V N -2.313 116.824 119.914 -1.294 0.000 2.720 30 V HA -0.142 3.978 4.120 0.000 0.000 0.256 30 V C 2.078 177.968 176.094 -0.340 0.000 1.082 30 V CA 1.918 63.943 62.300 -0.458 0.000 1.101 30 V CB -1.305 30.428 31.823 -0.150 0.000 0.693 30 V HN 0.886 nan 8.190 nan 0.000 0.479 31 W N 1.676 122.794 121.300 -0.303 0.000 2.699 31 W HA 0.454 5.114 4.660 0.000 0.000 0.249 31 W C 1.887 178.348 176.519 -0.098 0.000 1.280 31 W CA 0.434 57.619 57.345 -0.268 0.000 1.345 31 W CB -1.106 27.889 29.460 -0.775 0.000 1.128 31 W HN 0.244 nan 8.180 nan 0.000 0.642 32 G N -0.862 107.868 108.800 -0.116 0.000 3.441 32 G HA2 0.142 4.102 3.960 0.000 0.000 0.263 32 G HA3 0.142 4.102 3.960 0.000 0.000 0.263 32 G C -0.803 174.070 174.900 -0.046 0.000 1.014 32 G CA -0.470 44.621 45.100 -0.015 0.000 0.833 32 G HN 0.112 nan 8.290 nan 0.000 0.514 33 F N 3.673 123.459 119.950 -0.273 0.000 2.350 33 F HA 0.503 5.030 4.527 0.000 0.000 0.365 33 F C 0.503 176.187 175.800 -0.192 0.000 1.122 33 F CA -1.494 56.294 58.000 -0.353 0.000 1.139 33 F CB 1.451 39.941 39.000 -0.849 0.000 1.220 33 F HN -0.008 nan 8.300 nan 0.000 0.499 34 S N 6.596 121.988 115.700 -0.514 0.000 2.139 34 S HA 0.306 4.776 4.470 0.000 0.000 0.183 34 S C -2.129 172.049 174.600 -0.704 0.000 1.473 34 S CA -1.031 56.913 58.200 -0.427 0.000 1.263 34 S CB 0.469 63.580 63.200 -0.148 0.000 1.170 34 S HN 0.497 nan 8.310 nan 0.000 0.430 35 P HA -0.041 nan 4.420 nan 0.000 0.218 35 P C 1.284 177.837 177.300 -1.246 0.000 1.149 35 P CA 0.620 62.548 63.100 -1.954 0.000 0.817 35 P CB -0.040 30.559 31.700 -1.835 0.000 0.785 36 L N -0.728 120.029 121.223 -0.776 0.000 2.633 36 L HA -0.018 4.323 4.340 0.000 0.000 0.235 36 L C 2.365 179.041 176.870 -0.323 0.000 1.163 36 L CA 0.520 55.091 54.840 -0.447 0.000 0.859 36 L CB -0.972 40.937 42.059 -0.251 0.000 0.973 36 L HN -0.017 nan 8.230 nan 0.000 0.451 37 S N 0.249 115.743 115.700 -0.345 0.000 2.382 37 S HA -0.150 4.320 4.470 0.000 0.000 0.228 37 S C 1.175 175.691 174.600 -0.140 0.000 1.027 37 S CA 1.180 59.280 58.200 -0.167 0.000 0.991 37 S CB -0.054 63.118 63.200 -0.047 0.000 0.823 37 S HN 0.608 nan 8.310 nan 0.000 0.469 38 N N -0.861 117.675 118.700 -0.273 0.000 1.710 38 N HA -0.162 4.578 4.740 0.000 0.000 0.213 38 N C 0.432 176.007 175.510 0.107 0.000 1.023 38 N CA 2.115 55.078 53.050 -0.144 0.000 4.075 38 N CB -2.115 36.309 38.487 -0.105 0.000 0.686 38 N HN 0.629 nan 8.380 nan 0.000 0.276 39 T N 0.534 115.147 114.554 0.098 0.000 2.829 39 T HA 0.396 4.746 4.350 0.000 0.000 0.293 39 T C 0.826 175.591 174.700 0.108 0.000 0.970 39 T CA 0.766 62.909 62.100 0.071 0.000 1.168 39 T CB 1.011 69.899 68.868 0.033 0.000 0.911 39 T HN 0.444 nan 8.240 nan 0.000 0.535 40 N N 0.200 118.861 118.700 -0.064 0.000 2.968 40 N HA -0.129 4.611 4.740 0.000 0.000 0.199 40 N C -0.982 174.263 175.510 -0.442 0.000 0.935 40 N CA 0.896 53.793 53.050 -0.255 0.000 1.036 40 N CB -1.403 36.989 38.487 -0.159 0.000 1.008 40 N HN 0.778 nan 8.380 nan 0.000 0.568 41 W N 1.248 122.340 121.300 -0.347 0.000 2.438 41 W HA 0.626 5.286 4.660 0.000 0.000 0.324 41 W C 0.392 176.628 176.519 -0.471 0.000 1.119 41 W CA -0.355 56.786 57.345 -0.340 0.000 1.221 41 W CB 0.270 29.598 29.460 -0.219 0.000 1.253 41 W HN -0.139 nan 8.180 nan 0.000 0.555 42 F N 2.128 121.949 119.950 -0.216 0.000 2.404 42 F HA 0.650 5.177 4.527 0.000 0.000 0.339 42 F C 0.721 176.505 175.800 -0.028 0.000 1.105 42 F CA -0.584 57.257 58.000 -0.265 0.000 1.087 42 F CB 0.876 39.395 39.000 -0.802 0.000 1.143 42 F HN 0.386 nan 8.300 nan 0.000 0.491 43 A N 1.548 124.546 122.820 0.297 0.000 2.486 43 A HA 0.899 5.219 4.320 0.000 0.000 0.289 43 A C -1.050 176.659 177.584 0.208 0.000 1.176 43 A CA -0.698 51.502 52.037 0.272 0.000 0.757 43 A CB 0.685 19.758 19.000 0.122 0.000 1.337 43 A HN 0.888 nan 8.150 nan 0.000 0.423 44 A N -1.063 121.755 122.820 -0.003 0.000 2.371 44 A HA 0.561 4.881 4.320 0.000 0.000 0.257 44 A C 0.947 178.472 177.584 -0.098 0.000 1.089 44 A CA 0.410 52.289 52.037 -0.263 0.000 0.794 44 A CB 0.133 18.970 19.000 -0.272 0.000 1.029 44 A HN 1.879 nan 8.150 nan 0.000 0.488 45 G N -0.152 108.576 108.800 -0.120 0.000 2.735 45 G HA2 0.439 4.399 3.960 0.000 0.000 0.204 45 G HA3 0.439 4.399 3.960 0.000 0.000 0.204 45 G C 0.311 175.198 174.900 -0.021 0.000 1.218 45 G CA 0.951 46.029 45.100 -0.038 0.000 0.612 45 G HN 1.501 nan 8.290 nan 0.000 0.913 46 S N -0.963 114.710 115.700 -0.045 0.000 2.672 46 S HA 0.767 5.237 4.470 0.000 0.000 0.271 46 S C -0.843 173.742 174.600 -0.025 0.000 1.171 46 S CA 0.143 58.340 58.200 -0.004 0.000 0.817 46 S CB 1.800 65.002 63.200 0.002 0.000 1.150 46 S HN 1.433 nan 8.310 nan 0.000 0.478 47 S N -0.484 115.221 115.700 0.009 0.000 2.595 47 S HA 0.805 5.275 4.470 0.000 0.000 0.270 47 S C -1.261 173.332 174.600 -0.011 0.000 1.145 47 S CA -0.301 57.900 58.200 0.002 0.000 0.825 47 S CB 1.150 64.379 63.200 0.048 0.000 1.107 47 S HN 1.837 nan 8.310 nan 0.000 0.461 48 T N -0.552 113.976 114.554 -0.043 0.000 2.886 48 T HA 0.781 5.131 4.350 0.000 0.000 0.292 48 T C -3.290 171.303 174.700 -0.178 0.000 1.012 48 T CA -1.869 60.169 62.100 -0.102 0.000 0.982 48 T CB 1.176 69.989 68.868 -0.092 0.000 1.018 48 T HN 0.457 nan 8.240 nan 0.000 0.451 49 P HA 0.400 nan 4.420 nan 0.000 0.269 49 P C 0.622 177.668 177.300 -0.424 0.000 1.217 49 P CA -0.038 62.603 63.100 -0.764 0.000 0.783 49 P CB 0.300 31.175 31.700 -1.375 0.000 0.898 50 G N 0.138 108.740 108.800 -0.329 0.000 5.084 50 G HA2 0.503 4.464 3.960 0.000 0.000 0.241 50 G HA3 0.503 4.464 3.960 0.000 0.000 0.241 50 G C 0.101 175.013 174.900 0.020 0.000 0.918 50 G CA 0.216 45.261 45.100 -0.092 0.000 0.754 50 G HN 0.876 nan 8.290 nan 0.000 0.478 51 G N 0.057 108.879 108.800 0.036 0.000 2.755 51 G HA2 -0.069 3.891 3.960 0.000 0.000 0.686 51 G HA3 -0.069 3.891 3.960 0.000 0.000 0.686 51 G C -0.534 174.529 174.900 0.272 0.000 1.427 51 G CA -0.378 44.822 45.100 0.166 0.000 0.873 51 G HN 0.819 nan 8.290 nan 0.000 0.580 52 I N 1.337 122.040 120.570 0.222 0.000 2.436 52 I HA 0.634 4.804 4.170 0.000 0.000 0.289 52 I C 0.463 176.658 176.117 0.129 0.000 1.010 52 I CA -0.423 60.979 61.300 0.170 0.000 1.098 52 I CB 2.404 40.485 38.000 0.136 0.000 1.266 52 I HN 0.880 nan 8.210 nan 0.000 0.434 53 T N 0.570 115.196 114.554 0.120 0.000 2.893 53 T HA 0.479 4.829 4.350 0.000 0.000 0.293 53 T C -0.305 174.459 174.700 0.108 0.000 1.027 53 T CA -0.653 61.506 62.100 0.099 0.000 0.988 53 T CB 2.210 71.124 68.868 0.078 0.000 1.043 53 T HN 0.705 nan 8.240 nan 0.000 0.461 54 D N 0.722 121.175 120.400 0.088 0.000 3.452 54 D HA -0.196 4.444 4.640 0.000 0.000 0.164 54 D C -0.437 176.017 176.300 0.256 0.000 1.074 54 D CA 1.610 55.651 54.000 0.069 0.000 1.069 54 D CB -0.670 40.142 40.800 0.019 0.000 0.527 54 D HN 0.718 nan 8.370 nan 0.000 0.558 55 W N 1.582 122.891 121.300 0.015 0.000 2.937 55 W HA 0.372 5.032 4.660 0.000 0.000 0.435 55 W C -0.055 176.449 176.519 -0.025 0.000 0.912 55 W CA 0.042 57.384 57.345 -0.006 0.000 2.209 55 W CB -0.306 29.160 29.460 0.010 0.000 1.144 55 W HN -0.020 nan 8.180 nan 0.000 0.762 56 T N 0.528 115.198 114.554 0.193 0.000 2.892 56 T HA 0.676 5.026 4.350 0.000 0.000 0.311 56 T C 0.240 175.007 174.700 0.113 0.000 1.033 56 T CA -0.386 61.792 62.100 0.130 0.000 0.991 56 T CB 1.692 70.646 68.868 0.143 0.000 0.981 56 T HN -0.037 nan 8.240 nan 0.000 0.457 57 A N 2.734 125.599 122.820 0.075 0.000 2.246 57 A HA 0.863 5.184 4.320 0.000 0.000 0.291 57 A C 0.212 177.917 177.584 0.202 0.000 1.103 57 A CA -0.582 51.535 52.037 0.133 0.000 0.844 57 A CB 0.591 19.604 19.000 0.022 0.000 1.136 57 A HN 0.649 nan 8.150 nan 0.000 0.500 58 T N 1.281 116.006 114.554 0.286 0.000 3.011 58 T HA 0.528 4.878 4.350 0.000 0.000 0.303 58 T C -0.791 174.066 174.700 0.261 0.000 0.997 58 T CA -0.107 62.139 62.100 0.244 0.000 1.007 58 T CB 0.741 69.713 68.868 0.173 0.000 1.017 58 T HN 0.549 nan 8.240 nan 0.000 0.443 59 M N 3.272 123.020 119.600 0.246 0.000 2.243 59 M HA 0.436 4.916 4.480 0.000 0.000 0.324 59 M C -0.331 176.046 176.300 0.128 0.000 1.031 59 M CA -0.943 54.471 55.300 0.191 0.000 0.949 59 M CB 1.343 34.096 32.600 0.255 0.000 1.615 59 M HN 0.303 nan 8.290 nan 0.000 0.430 60 N N 3.075 121.810 118.700 0.058 0.000 2.399 60 N HA 0.214 4.954 4.740 0.000 0.000 0.259 60 N C -0.956 174.558 175.510 0.006 0.000 1.160 60 N CA 0.032 53.106 53.050 0.040 0.000 0.946 60 N CB 0.680 39.170 38.487 0.006 0.000 1.156 60 N HN 0.365 nan 8.380 nan 0.000 0.489 61 V N 2.850 122.750 119.914 -0.023 0.000 2.439 61 V HA 0.227 4.347 4.120 0.000 0.000 0.282 61 V C 0.413 176.360 176.094 -0.245 0.000 1.039 61 V CA -1.025 61.145 62.300 -0.216 0.000 0.913 61 V CB 1.097 32.619 31.823 -0.501 0.000 0.983 61 V HN 0.479 nan 8.190 nan 0.000 0.460 62 N N 4.249 122.818 118.700 -0.218 0.000 2.422 62 N HA 0.394 5.134 4.740 0.000 0.000 0.264 62 N C -0.987 174.395 175.510 -0.213 0.000 1.063 62 N CA -0.023 52.957 53.050 -0.117 0.000 0.959 62 N CB 1.095 39.553 38.487 -0.049 0.000 1.087 62 N HN 0.478 nan 8.380 nan 0.000 0.483 63 F N 1.089 121.043 119.950 0.007 0.000 2.415 63 F HA 0.285 4.812 4.527 0.000 0.000 0.348 63 F C 0.792 176.727 175.800 0.226 0.000 1.119 63 F CA -0.665 57.374 58.000 0.064 0.000 1.069 63 F CB 1.271 40.252 39.000 -0.031 0.000 1.124 63 F HN 0.208 nan 8.300 nan 0.000 0.472 64 D N 2.328 122.967 120.400 0.398 0.000 2.299 64 D HA 0.285 4.925 4.640 0.000 0.000 0.243 64 D C -0.128 176.271 176.300 0.165 0.000 0.982 64 D CA -0.728 53.459 54.000 0.310 0.000 0.924 64 D CB 1.493 42.366 40.800 0.122 0.000 1.238 64 D HN 0.233 nan 8.370 nan 0.000 0.484 65 R N 1.356 121.783 120.500 -0.122 0.000 2.347 65 R HA 0.196 4.537 4.340 0.000 0.000 0.304 65 R C 1.267 177.463 176.300 -0.174 0.000 1.072 65 R CA -0.169 55.682 56.100 -0.415 0.000 0.980 65 R CB 0.639 30.633 30.300 -0.509 0.000 0.986 65 R HN 0.497 nan 8.270 nan 0.000 0.448 66 I N 1.716 122.206 120.570 -0.133 0.000 2.850 66 I HA -0.259 3.911 4.170 0.000 0.000 0.266 66 I C 1.406 177.484 176.117 -0.065 0.000 1.257 66 I CA 1.242 62.503 61.300 -0.065 0.000 1.465 66 I CB -0.321 37.652 38.000 -0.045 0.000 1.091 66 I HN 0.578 nan 8.210 nan 0.000 0.467 67 D N -0.527 119.820 120.400 -0.089 0.000 2.469 67 D HA -0.053 4.587 4.640 0.000 0.000 0.240 67 D C 0.725 176.984 176.300 -0.068 0.000 1.087 67 D CA 0.177 54.137 54.000 -0.067 0.000 0.876 67 D CB -0.109 40.655 40.800 -0.059 0.000 1.160 67 D HN 0.142 nan 8.370 nan 0.000 0.497 68 N N 0.713 119.355 118.700 -0.097 0.000 2.762 68 N HA 0.270 5.010 4.740 0.000 0.000 0.252 68 N C -2.321 173.150 175.510 -0.065 0.000 1.269 68 N CA -1.760 51.246 53.050 -0.074 0.000 0.799 68 N CB 1.866 40.308 38.487 -0.075 0.000 1.173 68 N HN -0.257 nan 8.380 nan 0.000 0.516 69 P HA -0.111 nan 4.420 nan 0.000 0.223 69 P C 1.275 178.583 177.300 0.014 0.000 1.144 69 P CA 1.032 64.128 63.100 -0.008 0.000 0.783 69 P CB 0.232 31.931 31.700 -0.003 0.000 0.771 70 S N -1.114 114.588 115.700 0.003 0.000 2.500 70 S HA -0.075 4.395 4.470 0.000 0.000 0.239 70 S C 0.854 175.473 174.600 0.031 0.000 0.989 70 S CA 0.432 58.641 58.200 0.014 0.000 0.951 70 S CB -1.203 61.999 63.200 0.004 0.000 0.759 70 S HN 0.075 nan 8.310 nan 0.000 0.523 71 I N 1.994 122.585 120.570 0.036 0.000 2.301 71 I HA 0.327 4.497 4.170 0.000 0.000 0.292 71 I C 0.113 176.361 176.117 0.218 0.000 1.046 71 I CA -0.061 61.291 61.300 0.085 0.000 1.282 71 I CB 1.176 39.188 38.000 0.020 0.000 1.409 71 I HN 0.081 nan 8.210 nan 0.000 0.484 72 T N 6.300 120.973 114.554 0.198 0.000 2.952 72 T HA 0.658 5.008 4.350 0.000 0.000 0.305 72 T C -0.594 174.155 174.700 0.082 0.000 1.064 72 T CA -0.504 61.719 62.100 0.205 0.000 1.008 72 T CB 1.265 70.204 68.868 0.119 0.000 1.078 72 T HN 0.357 nan 8.240 nan 0.000 0.459 73 V N 2.359 122.256 119.914 -0.027 0.000 3.158 73 V HA 0.807 4.927 4.120 0.000 0.000 0.315 73 V C -0.910 175.152 176.094 -0.054 0.000 1.148 73 V CA -0.945 61.282 62.300 -0.120 0.000 1.042 73 V CB 1.924 33.592 31.823 -0.259 0.000 1.101 73 V HN 0.936 nan 8.190 nan 0.000 0.448 74 Q N 0.363 120.060 119.800 -0.171 0.000 2.375 74 Q HA 0.530 4.870 4.340 0.000 0.000 0.271 74 Q C -1.847 173.985 176.000 -0.279 0.000 1.074 74 Q CA -0.684 55.075 55.803 -0.072 0.000 0.808 74 Q CB 1.977 30.681 28.738 -0.056 0.000 1.327 74 Q HN 1.024 nan 8.270 nan 0.000 0.441 75 H N 2.457 121.686 119.070 0.265 0.000 2.894 75 H HA 0.403 4.959 4.556 0.000 0.000 0.367 75 H C -2.534 172.917 175.328 0.204 0.000 1.144 75 H CA -1.658 54.519 56.048 0.215 0.000 1.180 75 H CB 2.143 32.034 29.762 0.214 0.000 1.758 75 H HN 0.538 nan 8.280 nan 0.000 0.541 76 P HA 0.079 nan 4.420 nan 0.000 0.271 76 P C -0.407 177.056 177.300 0.272 0.000 1.216 76 P CA -0.191 63.041 63.100 0.220 0.000 0.776 76 P CB 1.274 33.081 31.700 0.177 0.000 0.881 77 V N 4.158 124.216 119.914 0.240 0.000 2.623 77 V HA 0.213 4.333 4.120 0.000 0.000 0.304 77 V C 0.012 176.292 176.094 0.310 0.000 1.054 77 V CA -0.503 61.963 62.300 0.276 0.000 0.882 77 V CB 1.854 33.762 31.823 0.143 0.000 1.002 77 V HN 0.493 nan 8.190 nan 0.000 0.424 78 Q N 3.229 123.221 119.800 0.320 0.000 2.245 78 Q HA 0.708 5.048 4.340 0.000 0.000 0.256 78 Q C -1.170 175.019 176.000 0.314 0.000 0.942 78 Q CA -0.702 55.267 55.803 0.278 0.000 0.896 78 Q CB 2.784 31.658 28.738 0.227 0.000 1.272 78 Q HN 0.533 nan 8.270 nan 0.000 0.442 79 V N 2.575 122.634 119.914 0.242 0.000 2.349 79 V HA 0.240 4.360 4.120 0.000 0.000 0.284 79 V C -0.632 175.492 176.094 0.049 0.000 1.014 79 V CA -0.641 61.776 62.300 0.195 0.000 0.826 79 V CB 1.309 33.200 31.823 0.114 0.000 1.009 79 V HN 0.707 nan 8.190 nan 0.000 0.431 80 Q N 3.902 123.765 119.800 0.105 0.000 2.322 80 Q HA 0.583 4.923 4.340 0.000 0.000 0.265 80 Q C -1.195 174.849 176.000 0.072 0.000 0.985 80 Q CA -0.594 55.263 55.803 0.090 0.000 0.849 80 Q CB 2.177 31.017 28.738 0.170 0.000 1.274 80 Q HN 0.544 nan 8.270 nan 0.000 0.449 81 V N 4.740 124.636 119.914 -0.030 0.000 2.415 81 V HA 0.001 4.121 4.120 0.000 0.000 0.267 81 V C 1.459 177.734 176.094 0.301 0.000 1.042 81 V CA 0.819 63.127 62.300 0.014 0.000 1.000 81 V CB 0.412 32.082 31.823 -0.256 0.000 1.015 81 V HN 1.077 nan 8.190 nan 0.000 0.478 82 T N 1.030 115.788 114.554 0.339 0.000 2.896 82 T HA 0.019 4.369 4.350 0.000 0.000 0.263 82 T C 0.823 175.780 174.700 0.429 0.000 1.050 82 T CA 0.834 63.168 62.100 0.390 0.000 1.140 82 T CB 0.228 69.341 68.868 0.409 0.000 0.877 82 T HN 0.625 nan 8.240 nan 0.000 0.457 83 S N -1.096 114.844 115.700 0.401 0.000 2.543 83 S HA 0.460 4.930 4.470 0.000 0.000 0.273 83 S C -0.617 174.185 174.600 0.337 0.000 1.152 83 S CA -0.888 57.562 58.200 0.417 0.000 0.910 83 S CB 1.408 64.825 63.200 0.361 0.000 1.105 83 S HN 0.312 nan 8.310 nan 0.000 0.465 84 Y N 4.556 124.988 120.300 0.220 0.000 2.343 84 Y HA 0.216 4.766 4.550 0.000 0.000 0.294 84 Y C 1.771 177.747 175.900 0.127 0.000 1.122 84 Y CA 1.284 59.433 58.100 0.082 0.000 1.173 84 Y CB 0.008 38.458 38.460 -0.017 0.000 1.077 84 Y HN 0.697 nan 8.280 nan 0.000 0.542 85 N N 0.470 119.409 118.700 0.398 0.000 2.309 85 N HA -0.136 4.604 4.740 0.000 0.000 0.182 85 N C 0.544 176.175 175.510 0.203 0.000 1.018 85 N CA 1.140 54.358 53.050 0.279 0.000 0.876 85 N CB -0.279 38.365 38.487 0.262 0.000 0.972 85 N HN 0.463 nan 8.380 nan 0.000 0.434 86 N N 0.977 119.813 118.700 0.227 0.000 2.236 86 N HA 0.043 4.783 4.740 0.000 0.000 0.196 86 N C -0.621 175.040 175.510 0.251 0.000 1.114 86 N CA -0.020 53.167 53.050 0.228 0.000 0.859 86 N CB 0.172 38.807 38.487 0.247 0.000 0.982 86 N HN 0.060 nan 8.380 nan 0.000 0.493 87 N N 1.187 120.011 118.700 0.207 0.000 2.727 87 N HA -0.133 4.607 4.740 0.000 0.000 0.251 87 N C -1.009 174.699 175.510 0.330 0.000 1.040 87 N CA 0.812 53.994 53.050 0.221 0.000 0.712 87 N CB -1.459 37.205 38.487 0.295 0.000 0.912 87 N HN 0.332 nan 8.380 nan 0.000 0.545 88 S N -0.665 115.239 115.700 0.340 0.000 2.549 88 S HA 0.843 5.313 4.470 0.000 0.000 0.280 88 S C -0.577 174.285 174.600 0.437 0.000 1.109 88 S CA -0.939 57.492 58.200 0.386 0.000 0.905 88 S CB 2.677 66.098 63.200 0.368 0.000 1.081 88 S HN 0.404 nan 8.310 nan 0.000 0.477 89 Y N -0.426 120.070 120.300 0.328 0.000 2.715 89 Y HA 0.838 5.388 4.550 0.000 0.000 0.331 89 Y C -0.753 175.321 175.900 0.290 0.000 1.197 89 Y CA -1.349 56.897 58.100 0.244 0.000 1.079 89 Y CB 1.194 39.730 38.460 0.127 0.000 1.298 89 Y HN 0.974 nan 8.280 nan 0.000 0.477 90 R N 1.104 121.793 120.500 0.316 0.000 2.626 90 R HA 0.742 5.082 4.340 0.000 0.000 0.274 90 R C -2.633 173.861 176.300 0.324 0.000 1.031 90 R CA -0.794 55.324 56.100 0.030 0.000 0.898 90 R CB 2.492 32.604 30.300 -0.314 0.000 1.222 90 R HN 0.747 nan 8.270 nan 0.000 0.455 91 V N 5.166 125.322 119.914 0.404 0.000 2.447 91 V HA 0.526 4.646 4.120 0.000 0.000 0.292 91 V C -0.720 175.717 176.094 0.571 0.000 1.021 91 V CA -0.671 61.981 62.300 0.587 0.000 0.850 91 V CB 1.511 33.849 31.823 0.857 0.000 1.005 91 V HN 0.806 nan 8.190 nan 0.000 0.426 92 R N 5.496 126.290 120.500 0.489 0.000 2.533 92 R HA 0.778 5.118 4.340 0.000 0.000 0.288 92 R C -1.883 174.704 176.300 0.479 0.000 1.039 92 R CA -0.482 55.910 56.100 0.487 0.000 0.909 92 R CB 2.195 32.667 30.300 0.287 0.000 1.195 92 R HN 0.580 nan 8.270 nan 0.000 0.438 93 F N 1.010 121.099 119.950 0.232 0.000 2.645 93 F HA 0.569 5.096 4.527 0.000 0.000 0.310 93 F C -1.917 173.880 175.800 -0.005 0.000 1.102 93 F CA -1.223 56.827 58.000 0.083 0.000 0.952 93 F CB 2.033 41.052 39.000 0.031 0.000 1.326 93 F HN 0.524 nan 8.300 nan 0.000 0.456 94 N N 2.578 121.118 118.700 -0.268 0.000 2.531 94 N HA 0.482 5.222 4.740 0.000 0.000 0.268 94 N C -2.763 172.399 175.510 -0.581 0.000 1.023 94 N CA -2.557 50.222 53.050 -0.452 0.000 0.896 94 N CB 2.046 40.409 38.487 -0.207 0.000 1.233 94 N HN 0.383 nan 8.380 nan 0.000 0.512 95 P HA 0.287 nan 4.420 nan 0.000 0.253 95 P C -0.499 176.310 177.300 -0.818 0.000 1.508 95 P CA 0.459 62.756 63.100 -1.339 0.000 0.883 95 P CB 0.441 31.003 31.700 -1.898 0.000 1.519 96 D N -2.125 117.998 120.400 -0.462 0.000 2.292 96 D HA 0.184 4.824 4.640 0.000 0.000 0.322 96 D C 0.846 177.073 176.300 -0.121 0.000 1.087 96 D CA 0.399 54.258 54.000 -0.235 0.000 0.857 96 D CB 1.747 42.426 40.800 -0.203 0.000 1.445 96 D HN 0.189 nan 8.370 nan 0.000 0.528 97 G N 1.222 109.952 108.800 -0.117 0.000 2.488 97 G HA2 0.401 4.361 3.960 0.000 0.000 0.301 97 G HA3 0.401 4.361 3.960 0.000 0.000 0.301 97 G C -3.015 171.858 174.900 -0.045 0.000 1.339 97 G CA -0.729 44.339 45.100 -0.053 0.000 0.803 97 G HN -0.280 nan 8.290 nan 0.000 0.482 98 P HA 0.316 nan 4.420 nan 0.000 0.272 98 P C 0.290 177.567 177.300 -0.039 0.000 1.223 98 P CA -0.130 62.964 63.100 -0.010 0.000 0.784 98 P CB 0.836 32.532 31.700 -0.007 0.000 0.923 99 I N 1.680 122.250 120.570 -0.000 0.000 2.618 99 I HA 0.144 4.314 4.170 0.000 0.000 0.284 99 I C 1.131 177.230 176.117 -0.031 0.000 1.146 99 I CA 0.419 61.720 61.300 0.002 0.000 1.425 99 I CB -0.256 37.785 38.000 0.069 0.000 1.383 99 I HN 0.358 nan 8.210 nan 0.000 0.562 100 R N 4.582 125.041 120.500 -0.067 0.000 2.514 100 R HA 0.238 4.578 4.340 0.000 0.000 0.296 100 R C -1.020 175.300 176.300 0.033 0.000 1.012 100 R CA -0.680 55.343 56.100 -0.129 0.000 0.897 100 R CB 1.414 31.436 30.300 -0.464 0.000 1.184 100 R HN 0.592 nan 8.270 nan 0.000 0.440 101 D N 2.820 123.268 120.400 0.081 0.000 2.423 101 D HA 0.020 4.660 4.640 0.000 0.000 0.238 101 D C 0.399 176.857 176.300 0.263 0.000 1.142 101 D CA 0.300 54.389 54.000 0.149 0.000 0.884 101 D CB 1.203 42.062 40.800 0.100 0.000 1.199 101 D HN 0.306 nan 8.370 nan 0.000 0.438 102 V N 0.024 120.058 119.914 0.200 0.000 2.732 102 V HA 0.345 4.465 4.120 0.000 0.000 0.297 102 V C 1.191 177.320 176.094 0.059 0.000 1.060 102 V CA -0.243 62.105 62.300 0.079 0.000 1.038 102 V CB 1.218 32.990 31.823 -0.084 0.000 1.003 102 V HN 0.710 nan 8.190 nan 0.000 0.481 103 T N 0.194 114.762 114.554 0.023 0.000 2.990 103 T HA 0.274 4.624 4.350 0.000 0.000 0.250 103 T C 0.683 175.403 174.700 0.034 0.000 1.041 103 T CA 0.130 62.258 62.100 0.047 0.000 1.010 103 T CB 0.031 68.943 68.868 0.073 0.000 1.003 103 T HN 0.779 nan 8.240 nan 0.000 0.499 104 R N 0.362 120.850 120.500 -0.020 0.000 2.513 104 R HA 0.610 4.950 4.340 0.000 0.000 0.301 104 R C -0.889 175.383 176.300 -0.047 0.000 0.968 104 R CA -0.149 55.965 56.100 0.024 0.000 0.872 104 R CB 1.461 31.776 30.300 0.025 0.000 1.177 104 R HN 0.442 nan 8.270 nan 0.000 0.444 105 G N 3.719 112.541 108.800 0.037 0.000 2.350 105 G HA2 0.034 3.994 3.960 0.000 0.000 0.304 105 G HA3 0.034 3.994 3.960 0.000 0.000 0.304 105 G C -2.621 172.331 174.900 0.085 0.000 1.421 105 G CA -0.866 44.187 45.100 -0.079 0.000 0.934 105 G HN 0.377 nan 8.290 nan 0.000 0.632 106 P HA 0.057 nan 4.420 nan 0.000 0.217 106 P C 0.722 178.023 177.300 0.001 0.000 1.150 106 P CA 0.985 64.097 63.100 0.021 0.000 0.832 106 P CB 0.282 31.895 31.700 -0.145 0.000 0.787 107 I N 0.976 121.579 120.570 0.055 0.000 2.371 107 I HA 0.281 4.451 4.170 0.000 0.000 0.282 107 I C 0.326 176.486 176.117 0.072 0.000 1.031 107 I CA -0.887 60.449 61.300 0.061 0.000 1.180 107 I CB 0.717 38.772 38.000 0.092 0.000 1.336 107 I HN -0.121 nan 8.210 nan 0.000 0.467 108 L N 5.456 126.697 121.223 0.030 0.000 2.334 108 L HA 0.417 4.757 4.340 0.000 0.000 0.273 108 L C 1.622 178.459 176.870 -0.056 0.000 1.013 108 L CA -0.695 54.139 54.840 -0.011 0.000 0.816 108 L CB 2.327 44.360 42.059 -0.045 0.000 1.278 108 L HN 0.536 nan 8.230 nan 0.000 0.431 109 K N 1.553 121.933 120.400 -0.033 0.000 2.089 109 K HA -0.274 4.046 4.320 0.000 0.000 0.210 109 K C 1.502 178.023 176.600 -0.132 0.000 1.048 109 K CA 2.200 58.468 56.287 -0.032 0.000 0.926 109 K CB 0.165 32.663 32.500 -0.004 0.000 0.714 109 K HN 0.628 nan 8.250 nan 0.000 0.448 110 Q N 0.215 119.822 119.800 -0.322 0.000 2.124 110 Q HA -0.199 4.141 4.340 0.000 0.000 0.202 110 Q C 2.074 177.744 176.000 -0.549 0.000 0.977 110 Q CA 1.828 57.321 55.803 -0.517 0.000 0.850 110 Q CB -0.139 28.049 28.738 -0.916 0.000 0.901 110 Q HN 0.378 nan 8.270 nan 0.000 0.429 111 Q N 0.347 119.774 119.800 -0.622 0.000 2.123 111 Q HA -0.043 4.297 4.340 0.000 0.000 0.199 111 Q C 1.677 177.734 176.000 0.095 0.000 0.966 111 Q CA 1.169 56.865 55.803 -0.179 0.000 0.845 111 Q CB -0.070 28.640 28.738 -0.047 0.000 0.907 111 Q HN 0.426 nan 8.270 nan 0.000 0.439 112 L N 0.303 121.559 121.223 0.055 0.000 2.046 112 L HA -0.185 4.155 4.340 0.000 0.000 0.208 112 L C 1.800 178.740 176.870 0.116 0.000 1.077 112 L CA 1.317 56.239 54.840 0.137 0.000 0.747 112 L CB -0.520 41.623 42.059 0.139 0.000 0.896 112 L HN 0.226 nan 8.230 nan 0.000 0.432 113 D N -0.788 119.647 120.400 0.058 0.000 2.117 113 D HA -0.238 4.402 4.640 0.000 0.000 0.197 113 D C 1.683 178.016 176.300 0.055 0.000 0.987 113 D CA 1.109 55.122 54.000 0.021 0.000 0.829 113 D CB -0.315 40.488 40.800 0.005 0.000 0.961 113 D HN 0.382 nan 8.370 nan 0.000 0.460 114 W N 1.440 122.722 121.300 -0.031 0.000 2.333 114 W HA -0.157 4.503 4.660 0.000 0.000 0.316 114 W C 2.135 178.667 176.519 0.022 0.000 1.215 114 W CA 1.426 58.785 57.345 0.023 0.000 1.278 114 W CB -0.363 29.159 29.460 0.103 0.000 1.154 114 W HN -0.112 nan 8.180 nan 0.000 0.486 115 I N 0.128 120.903 120.570 0.342 0.000 2.315 115 I HA -0.265 3.905 4.170 0.000 0.000 0.248 115 I C 2.669 178.760 176.117 -0.042 0.000 1.117 115 I CA 1.457 62.873 61.300 0.194 0.000 1.404 115 I CB -0.747 37.472 38.000 0.365 0.000 1.071 115 I HN -0.017 nan 8.210 nan 0.000 0.419 116 R N 0.558 121.000 120.500 -0.096 0.000 2.120 116 R HA -0.146 4.194 4.340 0.000 0.000 0.234 116 R C 2.191 178.186 176.300 -0.507 0.000 1.123 116 R CA 1.897 57.736 56.100 -0.434 0.000 0.975 116 R CB -0.174 29.829 30.300 -0.496 0.000 0.866 116 R HN 0.315 nan 8.270 nan 0.000 0.446 117 T N 0.452 114.779 114.554 -0.379 0.000 2.732 117 T HA -0.139 4.211 4.350 0.000 0.000 0.261 117 T C 1.704 176.174 174.700 -0.383 0.000 1.040 117 T CA 0.787 62.665 62.100 -0.371 0.000 1.145 117 T CB -0.208 68.464 68.868 -0.326 0.000 0.866 117 T HN 0.237 nan 8.240 nan 0.000 0.427 118 Q N 0.785 120.267 119.800 -0.529 0.000 2.135 118 Q HA -0.155 4.185 4.340 0.000 0.000 0.204 118 Q C 2.081 177.943 176.000 -0.229 0.000 0.981 118 Q CA 1.472 56.990 55.803 -0.476 0.000 0.856 118 Q CB -0.081 28.183 28.738 -0.791 0.000 0.902 118 Q HN 0.643 nan 8.270 nan 0.000 0.425 119 E N -0.226 119.876 120.200 -0.163 0.000 2.170 119 E HA -0.050 4.300 4.350 0.000 0.000 0.191 119 E C 2.203 178.803 176.600 0.001 0.000 0.981 119 E CA 0.126 56.535 56.400 0.014 0.000 0.830 119 E CB 0.108 29.950 29.700 0.236 0.000 0.775 119 E HN 0.286 nan 8.360 nan 0.000 0.470 120 L N 1.118 122.248 121.223 -0.155 0.000 1.989 120 L HA -0.151 4.189 4.340 0.000 0.000 0.211 120 L C 2.023 178.844 176.870 -0.083 0.000 1.071 120 L CA 1.335 56.096 54.840 -0.133 0.000 0.749 120 L CB -0.364 41.534 42.059 -0.269 0.000 0.890 120 L HN 0.126 nan 8.230 nan 0.000 0.431 121 S N -1.209 114.423 115.700 -0.113 0.000 2.930 121 S HA 0.073 4.543 4.470 0.000 0.000 0.257 121 S C 0.652 175.217 174.600 -0.057 0.000 1.208 121 S CA -0.095 58.056 58.200 -0.082 0.000 1.233 121 S CB -0.118 63.023 63.200 -0.098 0.000 0.900 121 S HN 0.428 nan 8.310 nan 0.000 0.472 122 E N -0.261 119.917 120.200 -0.037 0.000 2.702 122 E HA 0.263 4.613 4.350 0.000 0.000 0.225 122 E C 0.927 177.517 176.600 -0.016 0.000 0.942 122 E CA 0.147 56.538 56.400 -0.015 0.000 1.210 122 E CB 0.785 30.488 29.700 0.005 0.000 1.143 122 E HN 0.645 nan 8.360 nan 0.000 0.544 123 G N 1.462 110.247 108.800 -0.025 0.000 2.141 123 G HA2 -0.287 3.673 3.960 0.000 0.000 0.242 123 G HA3 -0.287 3.673 3.960 0.000 0.000 0.242 123 G C 0.358 175.203 174.900 -0.091 0.000 0.982 123 G CA 0.068 45.146 45.100 -0.037 0.000 0.662 123 G HN 0.306 nan 8.290 nan 0.000 0.527 124 C N 0.915 120.149 119.300 -0.110 0.000 2.648 124 C HA 0.507 4.967 4.460 0.000 0.000 0.419 124 C C 0.475 175.265 174.990 -0.334 0.000 1.352 124 C CA 0.437 59.225 59.018 -0.385 0.000 1.816 124 C CB 0.568 28.187 27.740 -0.202 0.000 2.598 124 C HN 0.511 nan 8.230 nan 0.000 0.598 125 D N 3.208 123.197 120.400 -0.686 0.000 2.336 125 D HA 0.327 4.967 4.640 0.000 0.000 0.248 125 D C -1.822 174.355 176.300 -0.204 0.000 1.326 125 D CA -1.242 52.581 54.000 -0.295 0.000 0.973 125 D CB 1.268 42.008 40.800 -0.100 0.000 1.255 125 D HN 0.160 nan 8.370 nan 0.000 0.558 126 P HA 0.156 nan 4.420 nan 0.000 0.221 126 P C 0.581 177.860 177.300 -0.035 0.000 1.150 126 P CA 0.628 63.714 63.100 -0.024 0.000 0.800 126 P CB 0.282 31.702 31.700 -0.467 0.000 0.787 127 G N 0.201 108.953 108.800 -0.081 0.000 2.359 127 G HA2 -0.284 3.676 3.960 0.000 0.000 0.298 127 G HA3 -0.284 3.676 3.960 0.000 0.000 0.298 127 G C -0.030 174.844 174.900 -0.044 0.000 1.030 127 G CA -0.187 44.892 45.100 -0.036 0.000 1.149 127 G HN 0.190 nan 8.290 nan 0.000 0.512 128 M N 0.474 120.030 119.600 -0.072 0.000 2.238 128 M HA 0.439 4.919 4.480 0.000 0.000 0.350 128 M C 0.705 176.938 176.300 -0.112 0.000 1.321 128 M CA 0.880 56.120 55.300 -0.101 0.000 1.097 128 M CB 1.120 33.630 32.600 -0.150 0.000 1.713 128 M HN 0.454 nan 8.290 nan 0.000 0.455 129 T N 3.227 117.665 114.554 -0.194 0.000 3.097 129 T HA 0.564 4.914 4.350 0.000 0.000 0.332 129 T C -1.592 172.961 174.700 -0.245 0.000 1.269 129 T CA -0.679 61.339 62.100 -0.137 0.000 1.076 129 T CB 0.749 69.585 68.868 -0.053 0.000 1.209 129 T HN 0.359 nan 8.240 nan 0.000 0.474 130 F N 3.383 123.337 119.950 0.005 0.000 2.404 130 F HA 0.518 5.045 4.527 0.000 0.000 0.339 130 F C 1.590 177.378 175.800 -0.019 0.000 1.105 130 F CA -0.367 57.632 58.000 -0.002 0.000 1.087 130 F CB 1.850 40.846 39.000 -0.008 0.000 1.143 130 F HN 0.734 nan 8.300 nan 0.000 0.491 131 T N -1.660 112.991 114.554 0.163 0.000 2.770 131 T HA 0.176 4.526 4.350 0.000 0.000 0.281 131 T C 1.353 176.045 174.700 -0.014 0.000 0.981 131 T CA -0.087 62.045 62.100 0.053 0.000 0.955 131 T CB 0.951 69.843 68.868 0.039 0.000 1.060 131 T HN 0.601 nan 8.240 nan 0.000 0.531 132 S N 0.155 115.819 115.700 -0.060 0.000 2.368 132 S HA -0.165 4.305 4.470 0.000 0.000 0.225 132 S C 1.619 176.106 174.600 -0.189 0.000 1.030 132 S CA 1.192 59.335 58.200 -0.095 0.000 0.999 132 S CB -0.876 62.278 63.200 -0.077 0.000 0.844 132 S HN 0.781 nan 8.310 nan 0.000 0.459 133 E N 1.416 121.416 120.200 -0.334 0.000 2.409 133 E HA 0.244 4.594 4.350 0.000 0.000 0.198 133 E C 1.366 177.558 176.600 -0.680 0.000 1.024 133 E CA 0.605 56.629 56.400 -0.628 0.000 0.861 133 E CB -0.629 28.376 29.700 -1.159 0.000 0.788 133 E HN 0.759 nan 8.360 nan 0.000 0.521 134 G N -0.305 108.262 108.800 -0.389 0.000 2.131 134 G HA2 -0.238 3.722 3.960 0.000 0.000 0.223 134 G HA3 -0.238 3.722 3.960 0.000 0.000 0.223 134 G C -0.215 174.767 174.900 0.136 0.000 0.990 134 G CA -0.322 44.692 45.100 -0.144 0.000 0.671 134 G HN 0.105 nan 8.290 nan 0.000 0.521 135 F N -0.625 119.428 119.950 0.170 0.000 2.378 135 F HA 0.787 5.314 4.527 0.000 0.000 0.325 135 F C 0.487 176.318 175.800 0.052 0.000 1.097 135 F CA -2.196 55.863 58.000 0.097 0.000 1.079 135 F CB 1.301 40.324 39.000 0.039 0.000 1.240 135 F HN 0.067 nan 8.300 nan 0.000 0.519 136 L N 2.129 123.384 121.223 0.054 0.000 2.313 136 L HA 0.639 4.979 4.340 0.000 0.000 0.283 136 L C -0.117 176.590 176.870 -0.272 0.000 1.013 136 L CA -0.072 54.603 54.840 -0.275 0.000 0.816 136 L CB 1.148 42.998 42.059 -0.348 0.000 1.236 136 L HN 0.760 nan 8.230 nan 0.000 0.419 137 T N 1.667 116.069 114.554 -0.253 0.000 2.912 137 T HA 0.871 5.221 4.350 0.000 0.000 0.288 137 T C -0.549 174.056 174.700 -0.157 0.000 1.030 137 T CA -0.570 61.352 62.100 -0.296 0.000 1.020 137 T CB 1.588 70.313 68.868 -0.239 0.000 1.056 137 T HN 0.567 nan 8.240 nan 0.000 0.480 138 F N -1.764 117.999 119.950 -0.310 0.000 2.741 138 F HA 0.816 5.343 4.527 0.000 0.000 0.311 138 F C -1.194 174.445 175.800 -0.269 0.000 1.149 138 F CA -1.186 56.645 58.000 -0.282 0.000 0.930 138 F CB 1.117 39.928 39.000 -0.316 0.000 1.312 138 F HN 0.665 nan 8.300 nan 0.000 0.450 139 E N 0.021 120.213 120.200 -0.014 0.000 2.378 139 E HA 0.732 5.082 4.350 0.000 0.000 0.265 139 E C -1.167 175.322 176.600 -0.184 0.000 0.932 139 E CA -1.122 55.196 56.400 -0.137 0.000 0.795 139 E CB 2.789 32.429 29.700 -0.101 0.000 1.296 139 E HN 0.841 nan 8.360 nan 0.000 0.438 140 T N -2.608 111.679 114.554 -0.445 0.000 2.778 140 T HA 0.300 4.650 4.350 0.000 0.000 0.293 140 T C 0.586 174.699 174.700 -0.978 0.000 1.144 140 T CA -0.927 60.607 62.100 -0.943 0.000 1.010 140 T CB 1.398 70.025 68.868 -0.401 0.000 1.325 140 T HN 0.420 nan 8.240 nan 0.000 0.515 141 K N -0.198 119.623 120.400 -0.966 0.000 2.442 141 K HA -0.063 4.257 4.320 0.000 0.000 0.198 141 K C 0.299 176.796 176.600 -0.171 0.000 1.044 141 K CA 1.451 57.529 56.287 -0.347 0.000 0.948 141 K CB -0.005 32.479 32.500 -0.027 0.000 0.762 141 K HN 0.513 nan 8.250 nan 0.000 0.472 142 D N -0.964 119.314 120.400 -0.203 0.000 2.516 142 D HA 0.142 4.782 4.640 0.000 0.000 0.241 142 D C -0.227 175.924 176.300 -0.249 0.000 1.246 142 D CA 0.081 53.986 54.000 -0.157 0.000 0.808 142 D CB 0.819 41.583 40.800 -0.061 0.000 1.147 142 D HN 0.069 nan 8.370 nan 0.000 0.527 143 L N 0.436 121.491 121.223 -0.280 0.000 2.327 143 L HA 0.581 4.921 4.340 0.000 0.000 0.258 143 L C -0.285 176.395 176.870 -0.316 0.000 1.024 143 L CA -0.871 53.780 54.840 -0.314 0.000 0.825 143 L CB 2.210 44.085 42.059 -0.307 0.000 1.386 143 L HN -0.201 nan 8.230 nan 0.000 0.417 144 S N -0.079 115.404 115.700 -0.362 0.000 2.541 144 S HA 0.878 5.348 4.470 0.000 0.000 0.280 144 S C -1.078 173.178 174.600 -0.574 0.000 1.112 144 S CA -0.691 57.247 58.200 -0.437 0.000 0.925 144 S CB 2.102 65.103 63.200 -0.331 0.000 1.067 144 S HN 0.293 nan 8.310 nan 0.000 0.479 145 V N 2.689 122.077 119.914 -0.878 0.000 2.876 145 V HA 0.603 4.723 4.120 0.000 0.000 0.312 145 V C -0.773 174.771 176.094 -0.918 0.000 1.085 145 V CA -0.766 60.935 62.300 -0.997 0.000 0.945 145 V CB 1.764 32.692 31.823 -1.491 0.000 1.017 145 V HN 0.968 nan 8.190 nan 0.000 0.428 146 I N 4.472 124.601 120.570 -0.735 0.000 2.436 146 I HA 0.549 4.719 4.170 0.000 0.000 0.289 146 I C -0.918 174.725 176.117 -0.790 0.000 1.010 146 I CA -0.363 60.487 61.300 -0.750 0.000 1.098 146 I CB 1.920 39.442 38.000 -0.797 0.000 1.266 146 I HN 0.396 nan 8.210 nan 0.000 0.434 147 I N 6.075 126.203 120.570 -0.736 0.000 2.418 147 I HA 0.349 4.519 4.170 0.000 0.000 0.287 147 I C -0.653 175.105 176.117 -0.599 0.000 1.008 147 I CA -0.545 60.355 61.300 -0.668 0.000 1.104 147 I CB 1.275 38.882 38.000 -0.656 0.000 1.264 147 I HN 0.404 nan 8.210 nan 0.000 0.438 148 Y N 3.123 123.181 120.300 -0.404 0.000 2.421 148 Y HA 0.335 4.885 4.550 0.000 0.000 0.366 148 Y C 1.772 177.653 175.900 -0.032 0.000 1.360 148 Y CA -0.024 57.739 58.100 -0.562 0.000 1.663 148 Y CB 0.178 38.192 38.460 -0.743 0.000 1.677 148 Y HN 0.583 nan 8.280 nan 0.000 0.584 149 G N 0.183 109.240 108.800 0.429 0.000 2.432 149 G HA2 -0.261 3.699 3.960 0.000 0.000 0.219 149 G HA3 -0.261 3.699 3.960 0.000 0.000 0.219 149 G C 0.839 175.844 174.900 0.174 0.000 1.135 149 G CA 1.118 46.440 45.100 0.370 0.000 0.767 149 G HN 0.638 nan 8.290 nan 0.000 0.550 150 N N -1.582 117.200 118.700 0.135 0.000 2.238 150 N HA 0.136 4.877 4.740 0.000 0.000 0.222 150 N C 0.615 176.232 175.510 0.177 0.000 1.133 150 N CA -0.899 52.204 53.050 0.089 0.000 0.854 150 N CB -0.315 38.203 38.487 0.051 0.000 1.041 150 N HN 0.261 nan 8.380 nan 0.000 0.510 151 F N -0.542 119.403 119.950 -0.009 0.000 2.699 151 F HA -0.282 4.245 4.527 0.000 0.000 0.343 151 F C 0.256 176.040 175.800 -0.025 0.000 0.633 151 F CA 0.325 58.310 58.000 -0.025 0.000 1.365 151 F CB -1.065 37.901 39.000 -0.056 0.000 1.795 151 F HN 0.108 nan 8.300 nan 0.000 0.304 152 K N 2.259 122.729 120.400 0.116 0.000 2.466 152 K HA 0.208 4.528 4.320 0.000 0.000 0.278 152 K C -0.344 176.216 176.600 -0.068 0.000 1.048 152 K CA 0.966 57.306 56.287 0.089 0.000 1.088 152 K CB 0.493 33.083 32.500 0.151 0.000 0.884 152 K HN 0.167 nan 8.250 nan 0.000 0.478 153 T N 6.288 120.797 114.554 -0.075 0.000 2.807 153 T HA 0.454 4.804 4.350 0.000 0.000 0.279 153 T C -0.652 173.918 174.700 -0.217 0.000 0.993 153 T CA -0.719 61.248 62.100 -0.222 0.000 0.970 153 T CB 0.737 69.506 68.868 -0.166 0.000 0.950 153 T HN 0.520 nan 8.240 nan 0.000 0.441 154 R N 1.973 122.282 120.500 -0.318 0.000 2.480 154 R HA 0.609 4.949 4.340 0.000 0.000 0.306 154 R C -1.189 174.900 176.300 -0.353 0.000 0.958 154 R CA -0.711 55.222 56.100 -0.277 0.000 0.861 154 R CB 1.943 32.105 30.300 -0.229 0.000 1.171 154 R HN 0.354 nan 8.270 nan 0.000 0.445 155 V N 3.018 122.740 119.914 -0.320 0.000 2.383 155 V HA 0.311 4.431 4.120 0.000 0.000 0.275 155 V C -0.071 175.819 176.094 -0.340 0.000 1.036 155 V CA -0.255 61.836 62.300 -0.349 0.000 0.889 155 V CB 1.697 33.330 31.823 -0.318 0.000 0.985 155 V HN 0.747 nan 8.190 nan 0.000 0.459 156 T N 5.757 120.102 114.554 -0.349 0.000 2.786 156 T HA 0.395 4.745 4.350 0.000 0.000 0.283 156 T C -0.088 174.419 174.700 -0.321 0.000 0.992 156 T CA -0.522 61.390 62.100 -0.312 0.000 0.954 156 T CB 1.032 69.734 68.868 -0.276 0.000 0.934 156 T HN 0.652 nan 8.240 nan 0.000 0.440 157 R N 2.994 123.305 120.500 -0.315 0.000 2.267 157 R HA 0.242 4.582 4.340 0.000 0.000 0.319 157 R C 1.180 177.348 176.300 -0.220 0.000 1.067 157 R CA -0.392 55.524 56.100 -0.307 0.000 0.936 157 R CB 0.366 30.482 30.300 -0.305 0.000 1.006 157 R HN 0.620 nan 8.270 nan 0.000 0.452 158 K N 1.454 121.733 120.400 -0.201 0.000 2.020 158 K HA -0.206 4.114 4.320 0.000 0.000 0.212 158 K C 1.885 178.418 176.600 -0.111 0.000 1.050 158 K CA 2.378 58.575 56.287 -0.148 0.000 0.929 158 K CB -0.131 32.290 32.500 -0.131 0.000 0.714 158 K HN 0.745 nan 8.250 nan 0.000 0.443 159 S N 1.474 117.118 115.700 -0.094 0.000 2.420 159 S HA -0.177 4.293 4.470 0.000 0.000 0.237 159 S C 1.063 175.624 174.600 -0.065 0.000 1.023 159 S CA 1.893 60.055 58.200 -0.064 0.000 0.991 159 S CB -0.284 62.892 63.200 -0.040 0.000 0.792 159 S HN 0.504 nan 8.310 nan 0.000 0.488 160 D N -1.910 118.440 120.400 -0.083 0.000 2.615 160 D HA 0.254 4.894 4.640 0.000 0.000 0.274 160 D C 0.998 177.237 176.300 -0.102 0.000 1.512 160 D CA 0.192 54.145 54.000 -0.079 0.000 0.803 160 D CB -0.584 40.178 40.800 -0.063 0.000 1.182 160 D HN 0.473 nan 8.370 nan 0.000 0.473 161 G N 1.424 110.150 108.800 -0.124 0.000 2.175 161 G HA2 -0.405 3.555 3.960 0.000 0.000 0.265 161 G HA3 -0.405 3.555 3.960 0.000 0.000 0.265 161 G C 0.266 175.065 174.900 -0.169 0.000 0.979 161 G CA 0.636 45.652 45.100 -0.141 0.000 0.663 161 G HN 0.654 nan 8.290 nan 0.000 0.533 162 K N 0.577 120.865 120.400 -0.187 0.000 2.416 162 K HA 0.381 4.701 4.320 0.000 0.000 0.283 162 K C 0.705 177.125 176.600 -0.299 0.000 1.037 162 K CA -0.354 55.792 56.287 -0.236 0.000 0.995 162 K CB 0.490 32.844 32.500 -0.244 0.000 0.938 162 K HN 0.098 nan 8.250 nan 0.000 0.475 163 V N 7.943 127.679 119.914 -0.298 0.000 2.370 163 V HA 0.048 4.168 4.120 0.000 0.000 0.257 163 V C 1.147 176.997 176.094 -0.406 0.000 1.064 163 V CA -0.091 62.028 62.300 -0.302 0.000 0.975 163 V CB -0.275 31.416 31.823 -0.220 0.000 1.067 163 V HN 0.814 nan 8.190 nan 0.000 0.485 164 I N 1.261 121.555 120.570 -0.460 0.000 3.462 164 I HA 0.347 4.517 4.170 0.000 0.000 0.290 164 I C 0.616 176.524 176.117 -0.347 0.000 1.236 164 I CA 0.804 61.707 61.300 -0.661 0.000 1.418 164 I CB 0.471 38.091 38.000 -0.634 0.000 1.102 164 I HN 0.540 nan 8.210 nan 0.000 0.441 165 M N 2.753 122.169 119.600 -0.308 0.000 2.371 165 M HA 0.453 4.933 4.480 0.000 0.000 0.287 165 M C -2.113 174.101 176.300 -0.143 0.000 1.149 165 M CA -0.142 55.022 55.300 -0.227 0.000 0.929 165 M CB 2.406 34.617 32.600 -0.647 0.000 1.683 165 M HN 0.460 nan 8.290 nan 0.000 0.470 166 E N 2.504 122.698 120.200 -0.011 0.000 2.343 166 E HA 0.492 4.842 4.350 0.000 0.000 0.278 166 E C -1.227 175.372 176.600 -0.002 0.000 0.910 166 E CA -0.937 55.445 56.400 -0.030 0.000 0.757 166 E CB 1.370 31.078 29.700 0.013 0.000 1.218 166 E HN 0.700 nan 8.360 nan 0.000 0.435 167 N N 1.341 120.036 118.700 -0.008 0.000 2.285 167 N HA 0.160 4.900 4.740 0.000 0.000 0.262 167 N C -0.849 174.692 175.510 0.051 0.000 1.299 167 N CA -0.352 52.725 53.050 0.046 0.000 0.930 167 N CB 0.340 38.889 38.487 0.103 0.000 1.157 167 N HN 0.668 nan 8.380 nan 0.000 0.532 168 D N -2.347 118.095 120.400 0.070 0.000 2.248 168 D HA 0.303 4.943 4.640 0.000 0.000 0.246 168 D C -1.368 174.956 176.300 0.040 0.000 1.027 168 D CA -0.478 53.548 54.000 0.043 0.000 0.853 168 D CB 1.040 41.865 40.800 0.041 0.000 1.243 168 D HN 0.470 nan 8.370 nan 0.000 0.462 169 E N 2.583 122.795 120.200 0.019 0.000 2.267 169 E HA 0.307 4.657 4.350 0.000 0.000 0.248 169 E C -1.371 175.226 176.600 -0.004 0.000 0.899 169 E CA -0.803 55.605 56.400 0.013 0.000 0.764 169 E CB 1.987 31.692 29.700 0.009 0.000 1.227 169 E HN 0.293 nan 8.360 nan 0.000 0.421 170 V N 3.004 122.911 119.914 -0.011 0.000 2.644 170 V HA 0.641 4.761 4.120 0.000 0.000 0.295 170 V C 0.373 176.455 176.094 -0.019 0.000 1.053 170 V CA -0.058 62.229 62.300 -0.023 0.000 0.987 170 V CB 1.529 33.328 31.823 -0.040 0.000 1.006 170 V HN 0.671 nan 8.190 nan 0.000 0.472 171 G N 3.558 112.345 108.800 -0.021 0.000 2.477 171 G HA2 0.648 4.608 3.960 0.000 0.000 0.304 171 G HA3 0.648 4.608 3.960 0.000 0.000 0.304 171 G C -0.191 174.697 174.900 -0.021 0.000 1.175 171 G CA 0.234 45.322 45.100 -0.019 0.000 0.907 171 G HN 1.060 nan 8.290 nan 0.000 0.509 172 T N -3.040 111.503 114.554 -0.018 0.000 2.858 172 T HA 0.670 5.020 4.350 0.000 0.000 0.285 172 T C 1.515 176.205 174.700 -0.017 0.000 1.052 172 T CA 0.399 62.488 62.100 -0.019 0.000 1.009 172 T CB 1.235 70.093 68.868 -0.018 0.000 1.241 172 T HN 1.105 nan 8.240 nan 0.000 0.542 173 A N 1.682 124.492 122.820 -0.017 0.000 2.106 173 A HA 0.021 4.341 4.320 0.000 0.000 0.207 173 A C 1.791 179.367 177.584 -0.013 0.000 1.226 173 A CA 2.576 54.604 52.037 -0.015 0.000 0.783 173 A CB -1.465 17.526 19.000 -0.014 0.000 0.826 173 A HN 1.732 nan 8.150 nan 0.000 0.507 174 S N -2.798 112.895 115.700 -0.011 0.000 2.751 174 S HA 0.536 5.006 4.470 0.000 0.000 0.247 174 S C 0.026 174.620 174.600 -0.009 0.000 1.103 174 S CA 0.271 58.465 58.200 -0.010 0.000 1.090 174 S CB 0.667 63.861 63.200 -0.009 0.000 0.928 174 S HN 0.386 nan 8.310 nan 0.000 0.502 175 S N 0.853 116.548 115.700 -0.009 0.000 2.960 175 S HA 0.655 5.125 4.470 0.000 0.000 0.256 175 S C 0.735 175.332 174.600 -0.006 0.000 1.017 175 S CA -0.090 58.106 58.200 -0.006 0.000 1.144 175 S CB 0.771 63.969 63.200 -0.005 0.000 1.109 175 S HN 1.320 nan 8.310 nan 0.000 0.638 176 G N 2.327 111.122 108.800 -0.009 0.000 2.757 176 G HA2 -0.191 3.769 3.960 0.000 0.000 0.638 176 G HA3 -0.191 3.769 3.960 0.000 0.000 0.638 176 G C -0.975 173.919 174.900 -0.010 0.000 1.344 176 G CA -1.004 44.090 45.100 -0.010 0.000 0.855 176 G HN 0.395 nan 8.290 nan 0.000 0.537 177 N N 0.966 119.659 118.700 -0.011 0.000 2.488 177 N HA 0.395 5.135 4.740 0.000 0.000 0.274 177 N C -0.198 175.311 175.510 -0.001 0.000 1.111 177 N CA -0.411 52.633 53.050 -0.010 0.000 0.974 177 N CB 0.574 39.050 38.487 -0.017 0.000 1.089 177 N HN 0.317 nan 8.380 nan 0.000 0.465 178 K N 1.651 122.053 120.400 0.002 0.000 2.182 178 K HA 0.260 4.580 4.320 0.000 0.000 0.262 178 K C -0.784 175.829 176.600 0.022 0.000 0.957 178 K CA -0.542 55.753 56.287 0.013 0.000 0.842 178 K CB 1.814 34.325 32.500 0.018 0.000 1.099 178 K HN 0.469 nan 8.250 nan 0.000 0.438 179 C N 4.125 123.446 119.300 0.036 0.000 2.281 179 C HA 0.300 4.760 4.460 0.000 0.000 0.336 179 C C 1.170 176.203 174.990 0.071 0.000 1.217 179 C CA -0.553 58.502 59.018 0.061 0.000 1.730 179 C CB -0.794 27.005 27.740 0.099 0.000 2.338 179 C HN 0.751 nan 8.230 nan 0.000 0.521 180 R N 3.324 123.865 120.500 0.069 0.000 2.319 180 R HA 0.073 4.413 4.340 0.000 0.000 0.204 180 R C 1.940 178.332 176.300 0.153 0.000 0.954 180 R CA 0.583 56.728 56.100 0.075 0.000 1.066 180 R CB 0.020 30.322 30.300 0.004 0.000 0.991 180 R HN 0.953 nan 8.270 nan 0.000 0.486 181 G N 0.339 109.243 108.800 0.174 0.000 2.776 181 G HA2 -0.058 3.902 3.960 0.000 0.000 0.209 181 G HA3 -0.058 3.902 3.960 0.000 0.000 0.209 181 G C 0.716 175.746 174.900 0.217 0.000 1.145 181 G CA 0.257 45.516 45.100 0.265 0.000 0.791 181 G HN 0.189 nan 8.290 nan 0.000 0.530 182 L N 0.613 121.901 121.223 0.108 0.000 2.669 182 L HA 0.388 4.728 4.340 0.000 0.000 0.273 182 L C -0.099 176.962 176.870 0.318 0.000 1.441 182 L CA -0.400 54.449 54.840 0.016 0.000 0.745 182 L CB 0.673 42.559 42.059 -0.288 0.000 1.044 182 L HN 0.053 nan 8.230 nan 0.000 0.523 183 M N 1.641 121.467 119.600 0.376 0.000 2.250 183 M HA 0.516 4.996 4.480 0.000 0.000 0.344 183 M C -0.701 175.990 176.300 0.652 0.000 1.150 183 M CA -0.192 55.371 55.300 0.438 0.000 1.147 183 M CB 1.056 33.834 32.600 0.296 0.000 1.498 183 M HN 0.216 nan 8.290 nan 0.000 0.461 184 F N -0.393 119.831 119.950 0.458 0.000 2.622 184 F HA 0.584 5.111 4.527 0.000 0.000 0.318 184 F C -1.398 174.418 175.800 0.026 0.000 1.135 184 F CA -1.369 56.775 58.000 0.240 0.000 1.015 184 F CB 0.188 39.241 39.000 0.087 0.000 1.275 184 F HN 0.194 nan 8.300 nan 0.000 0.457 185 V N 3.141 122.892 119.914 -0.271 0.000 2.599 185 V HA -0.004 4.116 4.120 0.000 0.000 0.300 185 V C 0.407 176.401 176.094 -0.166 0.000 1.034 185 V CA 0.348 62.261 62.300 -0.644 0.000 1.115 185 V CB 0.311 31.625 31.823 -0.847 0.000 0.934 185 V HN 0.846 nan 8.190 nan 0.000 0.485 186 D N 4.124 124.394 120.400 -0.216 0.000 2.583 186 D HA -0.062 4.578 4.640 0.000 0.000 0.232 186 D C 1.159 177.485 176.300 0.043 0.000 1.128 186 D CA 0.069 54.097 54.000 0.046 0.000 0.859 186 D CB 0.688 41.310 40.800 -0.297 0.000 1.169 186 D HN 0.344 nan 8.370 nan 0.000 0.481 187 R N 2.881 123.466 120.500 0.142 0.000 2.189 187 R HA 0.044 4.384 4.340 0.000 0.000 0.223 187 R C 1.764 178.102 176.300 0.062 0.000 1.092 187 R CA 0.520 56.655 56.100 0.058 0.000 0.989 187 R CB -0.364 29.959 30.300 0.038 0.000 0.876 187 R HN 0.561 nan 8.270 nan 0.000 0.457 188 L N -1.286 119.993 121.223 0.094 0.000 2.362 188 L HA -0.128 4.212 4.340 0.000 0.000 0.219 188 L C 1.124 178.266 176.870 0.453 0.000 1.134 188 L CA 1.203 56.169 54.840 0.211 0.000 0.807 188 L CB -0.157 42.017 42.059 0.191 0.000 0.927 188 L HN 0.295 nan 8.230 nan 0.000 0.447 189 Y N -1.495 118.759 120.300 -0.076 0.000 2.432 189 Y HA 0.391 4.941 4.550 0.000 0.000 0.252 189 Y C 1.158 176.966 175.900 -0.154 0.000 1.097 189 Y CA -0.325 57.707 58.100 -0.114 0.000 1.250 189 Y CB 1.267 39.635 38.460 -0.152 0.000 1.245 189 Y HN 0.129 nan 8.280 nan 0.000 0.522 190 G N 0.180 108.969 108.800 -0.019 0.000 2.323 190 G HA2 0.020 3.980 3.960 0.000 0.000 0.291 190 G HA3 0.020 3.980 3.960 0.000 0.000 0.291 190 G C -1.015 173.761 174.900 -0.207 0.000 1.278 190 G CA -0.543 44.470 45.100 -0.145 0.000 0.860 190 G HN -0.014 nan 8.290 nan 0.000 0.504 191 N N -0.477 118.023 118.700 -0.333 0.000 2.168 191 N HA 0.466 5.206 4.740 0.000 0.000 0.216 191 N C 0.846 176.154 175.510 -0.336 0.000 1.259 191 N CA 0.466 53.267 53.050 -0.415 0.000 0.902 191 N CB 1.234 39.215 38.487 -0.843 0.000 1.079 191 N HN 0.885 nan 8.380 nan 0.000 0.507 192 A N 1.135 123.785 122.820 -0.283 0.000 2.492 192 A HA 0.424 4.744 4.320 0.000 0.000 0.236 192 A C 0.302 177.951 177.584 0.108 0.000 1.078 192 A CA 0.102 52.103 52.037 -0.059 0.000 0.773 192 A CB -0.243 18.784 19.000 0.045 0.000 1.023 192 A HN 0.375 nan 8.150 nan 0.000 0.504 193 I N -2.963 117.805 120.570 0.330 0.000 3.042 193 I HA 0.941 5.111 4.170 0.000 0.000 0.310 193 I C -0.316 176.186 176.117 0.641 0.000 1.117 193 I CA -0.865 60.731 61.300 0.494 0.000 1.003 193 I CB 2.347 40.581 38.000 0.389 0.000 1.228 193 I HN 1.015 nan 8.210 nan 0.000 0.443 194 A N 2.279 125.506 122.820 0.677 0.000 2.601 194 A HA 0.819 5.139 4.320 0.000 0.000 0.291 194 A C -1.223 176.707 177.584 0.577 0.000 1.075 194 A CA -0.512 51.844 52.037 0.531 0.000 0.671 194 A CB 1.621 20.741 19.000 0.199 0.000 1.277 194 A HN 0.830 nan 8.150 nan 0.000 0.417 195 S N -0.050 115.962 115.700 0.520 0.000 2.649 195 S HA 0.582 5.052 4.470 0.000 0.000 0.274 195 S C -1.542 173.410 174.600 0.588 0.000 1.176 195 S CA -0.307 58.271 58.200 0.630 0.000 0.988 195 S CB 1.112 64.831 63.200 0.864 0.000 1.071 195 S HN 1.289 nan 8.310 nan 0.000 0.478 196 V N 5.295 125.456 119.914 0.412 0.000 2.459 196 V HA 0.605 4.725 4.120 0.000 0.000 0.295 196 V C -0.219 176.041 176.094 0.276 0.000 1.029 196 V CA -0.906 61.602 62.300 0.346 0.000 0.874 196 V CB 1.785 33.707 31.823 0.164 0.000 0.985 196 V HN 0.798 nan 8.190 nan 0.000 0.438 197 N N 2.516 121.375 118.700 0.265 0.000 2.404 197 N HA 0.461 5.201 4.740 0.000 0.000 0.297 197 N C -0.452 175.101 175.510 0.071 0.000 1.163 197 N CA -0.772 52.356 53.050 0.130 0.000 0.864 197 N CB 1.543 40.071 38.487 0.069 0.000 1.247 197 N HN 0.532 nan 8.380 nan 0.000 0.510 198 K N 0.935 121.324 120.400 -0.019 0.000 2.270 198 K HA 0.177 4.497 4.320 0.000 0.000 0.276 198 K C -0.406 176.029 176.600 -0.276 0.000 1.023 198 K CA -0.239 55.926 56.287 -0.203 0.000 0.955 198 K CB 0.441 32.753 32.500 -0.313 0.000 0.975 198 K HN 0.417 nan 8.250 nan 0.000 0.471 199 N N 2.360 120.854 118.700 -0.342 0.000 2.346 199 N HA 0.205 4.945 4.740 0.000 0.000 0.289 199 N C -1.184 174.176 175.510 -0.249 0.000 1.027 199 N CA -0.602 52.392 53.050 -0.094 0.000 0.864 199 N CB 0.605 39.161 38.487 0.114 0.000 1.370 199 N HN 0.337 nan 8.380 nan 0.000 0.481 200 F N 2.613 122.693 119.950 0.216 0.000 2.750 200 F HA 0.294 4.821 4.527 0.000 0.000 0.297 200 F C 1.890 177.767 175.800 0.128 0.000 1.138 200 F CA -0.515 57.573 58.000 0.146 0.000 1.346 200 F CB 0.171 39.253 39.000 0.137 0.000 0.965 200 F HN 0.525 nan 8.300 nan 0.000 0.514 201 R N -0.339 120.319 120.500 0.264 0.000 2.096 201 R HA -0.197 4.143 4.340 0.000 0.000 0.240 201 R C 1.291 177.675 176.300 0.141 0.000 1.139 201 R CA 1.992 58.213 56.100 0.202 0.000 0.952 201 R CB -0.605 29.821 30.300 0.210 0.000 0.854 201 R HN 0.119 nan 8.270 nan 0.000 0.436 202 N N 1.071 119.848 118.700 0.128 0.000 2.409 202 N HA -0.080 4.661 4.740 0.000 0.000 0.179 202 N C -0.108 175.468 175.510 0.109 0.000 1.032 202 N CA 0.562 53.670 53.050 0.096 0.000 0.898 202 N CB -0.476 38.055 38.487 0.073 0.000 0.971 202 N HN 0.342 nan 8.380 nan 0.000 0.441 203 D N 0.584 121.083 120.400 0.165 0.000 2.648 203 D HA -0.111 4.529 4.640 0.000 0.000 0.229 203 D C 0.920 177.277 176.300 0.094 0.000 1.119 203 D CA 0.140 54.235 54.000 0.158 0.000 0.850 203 D CB 0.872 41.812 40.800 0.233 0.000 1.169 203 D HN 0.194 nan 8.370 nan 0.000 0.489 204 A N 3.548 126.407 122.820 0.066 0.000 2.019 204 A HA -0.106 4.214 4.320 0.000 0.000 0.219 204 A C 2.055 179.659 177.584 0.032 0.000 1.164 204 A CA 1.256 53.319 52.037 0.042 0.000 0.644 204 A CB 0.069 19.088 19.000 0.032 0.000 0.805 204 A HN 0.510 nan 8.150 nan 0.000 0.449 205 V N -1.164 118.768 119.914 0.031 0.000 2.690 205 V HA -0.039 4.081 4.120 0.000 0.000 0.240 205 V C 2.213 178.326 176.094 0.032 0.000 1.078 205 V CA 1.595 63.907 62.300 0.020 0.000 1.102 205 V CB -0.421 31.403 31.823 0.002 0.000 0.800 205 V HN 0.423 nan 8.190 nan 0.000 0.479 206 K N -0.091 120.337 120.400 0.048 0.000 2.007 206 K HA -0.023 4.297 4.320 0.000 0.000 0.206 206 K C 0.524 177.157 176.600 0.055 0.000 1.047 206 K CA 0.712 57.047 56.287 0.080 0.000 0.937 206 K CB -0.106 32.467 32.500 0.121 0.000 0.718 206 K HN 0.321 nan 8.250 nan 0.000 0.438 207 Q N 1.138 120.983 119.800 0.076 0.000 2.453 207 Q HA -0.196 4.144 4.340 0.000 0.000 0.330 207 Q C -1.127 174.886 176.000 0.022 0.000 1.417 207 Q CA 0.218 56.052 55.803 0.052 0.000 0.902 207 Q CB -1.334 27.416 28.738 0.021 0.000 1.154 207 Q HN 0.373 nan 8.270 nan 0.000 0.395 208 E N -0.798 119.435 120.200 0.054 0.000 2.458 208 E HA 0.190 4.540 4.350 0.000 0.000 0.264 208 E C 0.592 177.094 176.600 -0.164 0.000 1.097 208 E CA 0.817 57.171 56.400 -0.077 0.000 0.973 208 E CB 0.522 30.201 29.700 -0.035 0.000 0.963 208 E HN 0.422 nan 8.360 nan 0.000 0.451 209 G N 1.968 110.564 108.800 -0.341 0.000 2.707 209 G HA2 0.497 4.457 3.960 0.000 0.000 0.299 209 G HA3 0.497 4.457 3.960 0.000 0.000 0.299 209 G C -1.368 173.268 174.900 -0.440 0.000 1.442 209 G CA -0.626 44.326 45.100 -0.247 0.000 1.009 209 G HN 0.262 nan 8.290 nan 0.000 0.515 210 F N 1.312 121.135 119.950 -0.211 0.000 2.420 210 F HA 0.669 5.196 4.527 0.000 0.000 0.342 210 F C -0.135 175.473 175.800 -0.320 0.000 1.113 210 F CA -0.588 57.312 58.000 -0.166 0.000 1.059 210 F CB 1.777 40.690 39.000 -0.144 0.000 1.128 210 F HN 0.364 nan 8.300 nan 0.000 0.475 211 Y N 0.001 120.300 120.300 -0.002 0.000 2.638 211 Y HA 0.723 5.273 4.550 0.000 0.000 0.339 211 Y C 0.729 176.610 175.900 -0.032 0.000 1.084 211 Y CA -0.387 57.703 58.100 -0.015 0.000 1.068 211 Y CB 2.054 40.493 38.460 -0.034 0.000 1.294 211 Y HN 0.793 nan 8.280 nan 0.000 0.480 212 G N 0.654 109.579 108.800 0.208 0.000 2.936 212 G HA2 0.125 4.085 3.960 0.000 0.000 0.237 212 G HA3 0.125 4.085 3.960 0.000 0.000 0.237 212 G C 0.330 175.329 174.900 0.166 0.000 1.403 212 G CA 0.131 45.354 45.100 0.204 0.000 1.011 212 G HN 1.990 nan 8.290 nan 0.000 0.568 213 A N -0.049 122.877 122.820 0.177 0.000 2.745 213 A HA 0.400 4.720 4.320 0.000 0.000 0.296 213 A C 2.262 179.936 177.584 0.149 0.000 1.500 213 A CA 1.581 53.698 52.037 0.135 0.000 0.766 213 A CB -1.751 17.276 19.000 0.045 0.000 1.030 213 A HN 3.115 nan 8.150 nan 0.000 0.489 214 G N -0.338 108.592 108.800 0.218 0.000 2.594 214 G HA2 -0.254 3.706 3.960 0.000 0.000 0.297 214 G HA3 -0.254 3.706 3.960 0.000 0.000 0.297 214 G C 0.178 175.149 174.900 0.120 0.000 1.273 214 G CA 0.832 46.066 45.100 0.222 0.000 0.974 214 G HN 1.751 nan 8.290 nan 0.000 0.552 215 E N -0.158 120.097 120.200 0.093 0.000 2.303 215 E HA 0.438 4.788 4.350 0.000 0.000 0.211 215 E C 0.580 177.156 176.600 -0.041 0.000 1.223 215 E CA -0.405 55.997 56.400 0.003 0.000 1.344 215 E CB 0.375 30.055 29.700 -0.033 0.000 1.299 215 E HN 0.388 nan 8.360 nan 0.000 0.441 216 V N 2.299 122.217 119.914 0.007 0.000 2.843 216 V HA -0.017 4.103 4.120 0.000 0.000 0.305 216 V C 0.318 176.424 176.094 0.020 0.000 1.065 216 V CA -0.208 62.093 62.300 0.002 0.000 1.116 216 V CB 0.610 32.455 31.823 0.035 0.000 0.968 216 V HN 0.431 nan 8.190 nan 0.000 0.487 217 N N 1.967 120.692 118.700 0.042 0.000 2.335 217 N HA 0.563 5.303 4.740 0.000 0.000 0.304 217 N C -1.090 174.556 175.510 0.226 0.000 1.135 217 N CA -0.362 52.777 53.050 0.147 0.000 0.817 217 N CB 1.886 40.456 38.487 0.139 0.000 1.294 217 N HN 0.689 nan 8.380 nan 0.000 0.497 218 C N 1.082 120.552 119.300 0.283 0.000 2.620 218 C HA 0.320 4.781 4.460 0.000 0.000 0.356 218 C C -0.262 174.721 174.990 -0.011 0.000 1.082 218 C CA -0.878 58.250 59.018 0.184 0.000 1.293 218 C CB -0.162 27.678 27.740 0.166 0.000 1.836 218 C HN 0.716 nan 8.230 nan 0.000 0.453 219 K N 3.627 123.839 120.400 -0.314 0.000 2.218 219 K HA 0.479 4.799 4.320 0.000 0.000 0.276 219 K C -1.374 175.170 176.600 -0.094 0.000 1.022 219 K CA -0.205 55.692 56.287 -0.649 0.000 0.946 219 K CB 0.849 32.856 32.500 -0.821 0.000 1.000 219 K HN 0.758 nan 8.250 nan 0.000 0.468 220 Y N 3.353 123.556 120.300 -0.161 0.000 2.433 220 Y HA 0.109 4.659 4.550 0.000 0.000 0.337 220 Y C 0.165 176.060 175.900 -0.009 0.000 1.026 220 Y CA -0.394 57.682 58.100 -0.040 0.000 1.037 220 Y CB 1.132 39.585 38.460 -0.011 0.000 1.245 220 Y HN 0.992 nan 8.280 nan 0.000 0.443 221 Q N 1.855 121.236 119.800 -0.698 0.000 2.146 221 Q HA -0.367 3.973 4.340 0.000 0.000 0.412 221 Q C -0.009 175.925 176.000 -0.109 0.000 0.668 221 Q CA 2.263 57.822 55.803 -0.407 0.000 0.931 221 Q CB -0.942 27.554 28.738 -0.403 0.000 2.824 221 Q HN 0.899 nan 8.270 nan 0.000 0.873 222 D N -0.541 119.873 120.400 0.024 0.000 2.379 222 D HA 0.110 4.750 4.640 0.000 0.000 0.218 222 D C 0.421 176.905 176.300 0.308 0.000 1.006 222 D CA 0.991 55.087 54.000 0.160 0.000 0.893 222 D CB 0.176 41.078 40.800 0.169 0.000 1.019 222 D HN 0.315 nan 8.370 nan 0.000 0.503 223 T N -0.099 114.666 114.554 0.351 0.000 2.754 223 T HA 0.176 4.526 4.350 0.000 0.000 0.286 223 T C -0.065 174.749 174.700 0.190 0.000 0.997 223 T CA -0.134 62.208 62.100 0.403 0.000 0.982 223 T CB 0.555 69.671 68.868 0.414 0.000 1.027 223 T HN -0.121 nan 8.240 nan 0.000 0.529 224 Y N 0.429 120.806 120.300 0.127 0.000 2.341 224 Y HA 0.549 5.099 4.550 0.000 0.000 0.337 224 Y C 0.629 176.588 175.900 0.099 0.000 1.014 224 Y CA -1.183 56.974 58.100 0.096 0.000 1.111 224 Y CB 0.723 39.195 38.460 0.020 0.000 1.194 224 Y HN 0.516 nan 8.280 nan 0.000 0.462 225 I N -0.024 120.658 120.570 0.187 0.000 3.619 225 I HA 0.494 4.664 4.170 0.000 0.000 0.284 225 I C 0.050 176.230 176.117 0.105 0.000 1.240 225 I CA -0.882 60.492 61.300 0.124 0.000 1.016 225 I CB 1.228 39.256 38.000 0.048 0.000 1.374 225 I HN 0.558 nan 8.210 nan 0.000 0.553 226 L N 0.243 121.509 121.223 0.072 0.000 2.445 226 L HA 0.389 4.729 4.340 0.000 0.000 0.207 226 L C 0.987 177.872 176.870 0.025 0.000 1.053 226 L CA 0.819 55.710 54.840 0.085 0.000 0.841 226 L CB 0.061 42.202 42.059 0.137 0.000 1.074 226 L HN 0.738 nan 8.230 nan 0.000 0.479 227 E N 0.686 120.834 120.200 -0.087 0.000 2.313 227 E HA 0.126 4.476 4.350 0.000 0.000 0.276 227 E C -0.423 176.039 176.600 -0.231 0.000 1.031 227 E CA -0.457 55.743 56.400 -0.334 0.000 0.857 227 E CB 0.554 29.993 29.700 -0.436 0.000 1.040 227 E HN 0.129 nan 8.360 nan 0.000 0.408 228 R N 3.471 123.822 120.500 -0.248 0.000 3.472 228 R HA 0.211 4.551 4.340 0.000 0.000 0.322 228 R C -0.820 175.402 176.300 -0.129 0.000 1.330 228 R CA -0.235 55.783 56.100 -0.137 0.000 1.387 228 R CB 0.560 30.816 30.300 -0.073 0.000 1.446 228 R HN 0.346 nan 8.270 nan 0.000 0.628 229 T N -0.235 114.240 114.554 -0.131 0.000 2.795 229 T HA 0.400 4.750 4.350 0.000 0.000 0.282 229 T C 0.692 175.306 174.700 -0.143 0.000 0.980 229 T CA -0.030 62.039 62.100 -0.051 0.000 1.012 229 T CB 1.713 70.589 68.868 0.014 0.000 0.936 229 T HN 0.639 nan 8.240 nan 0.000 0.457 230 G N 3.312 111.998 108.800 -0.189 0.000 2.351 230 G HA2 -0.155 3.805 3.960 0.000 0.000 0.297 230 G HA3 -0.155 3.805 3.960 0.000 0.000 0.297 230 G C -0.082 174.632 174.900 -0.311 0.000 1.054 230 G CA 0.415 45.393 45.100 -0.204 0.000 1.123 230 G HN 1.105 nan 8.290 nan 0.000 0.512 231 I N -3.542 116.798 120.570 -0.383 0.000 2.785 231 I HA 0.723 4.893 4.170 0.000 0.000 0.293 231 I C -0.112 175.828 176.117 -0.294 0.000 1.446 231 I CA -1.159 59.775 61.300 -0.609 0.000 1.028 231 I CB 1.638 39.085 38.000 -0.921 0.000 1.349 231 I HN 0.662 nan 8.210 nan 0.000 0.438 232 A N 7.019 129.846 122.820 0.011 0.000 2.650 232 A HA 0.724 5.044 4.320 0.000 0.000 0.320 232 A C -0.066 177.678 177.584 0.266 0.000 1.466 232 A CA -0.387 51.761 52.037 0.186 0.000 1.099 232 A CB -0.042 19.177 19.000 0.366 0.000 1.136 232 A HN 0.760 nan 8.150 nan 0.000 0.532 233 M N 0.813 120.465 119.600 0.086 0.000 2.371 233 M HA 0.560 5.040 4.480 0.000 0.000 0.301 233 M C 0.391 176.661 176.300 -0.049 0.000 1.173 233 M CA -0.079 55.256 55.300 0.058 0.000 1.020 233 M CB 1.759 34.360 32.600 0.002 0.000 1.490 233 M HN 0.530 nan 8.290 nan 0.000 0.485 234 T N 0.497 114.982 114.554 -0.116 0.000 3.097 234 T HA 0.328 4.678 4.350 0.000 0.000 0.332 234 T C -1.657 172.914 174.700 -0.215 0.000 1.269 234 T CA -0.998 60.927 62.100 -0.292 0.000 1.076 234 T CB 0.762 69.363 68.868 -0.445 0.000 1.209 234 T HN 0.652 nan 8.240 nan 0.000 0.474 235 N N 3.804 122.355 118.700 -0.249 0.000 2.439 235 N HA 0.325 5.065 4.740 0.000 0.000 0.249 235 N C -1.392 174.079 175.510 -0.065 0.000 1.003 235 N CA -0.180 52.793 53.050 -0.127 0.000 0.942 235 N CB 0.878 39.309 38.487 -0.094 0.000 1.115 235 N HN 0.653 nan 8.380 nan 0.000 0.505 236 Y N 2.197 122.381 120.300 -0.194 0.000 2.720 236 Y HA 0.167 4.717 4.550 0.000 0.000 0.279 236 Y C -0.742 175.092 175.900 -0.110 0.000 1.013 236 Y CA -0.917 57.075 58.100 -0.181 0.000 1.170 236 Y CB -0.227 38.085 38.460 -0.246 0.000 1.150 236 Y HN 0.291 nan 8.280 nan 0.000 0.596 237 N N 2.624 121.227 118.700 -0.162 0.000 1.792 237 N HA -0.176 4.564 4.740 0.000 0.000 0.321 237 N C -1.193 174.234 175.510 -0.138 0.000 1.314 237 N CA 1.362 54.337 53.050 -0.125 0.000 0.814 237 N CB -0.263 38.162 38.487 -0.103 0.000 1.073 237 N HN 0.553 nan 8.380 nan 0.000 0.503 238 Y N 0.327 120.461 120.300 -0.277 0.000 2.576 238 Y HA 0.204 4.754 4.550 0.000 0.000 0.346 238 Y C 0.008 175.759 175.900 -0.250 0.000 1.018 238 Y CA -1.424 56.520 58.100 -0.259 0.000 1.050 238 Y CB 1.492 39.819 38.460 -0.222 0.000 1.280 238 Y HN 0.349 nan 8.280 nan 0.000 0.474 239 D N 2.191 122.327 120.400 -0.440 0.000 2.994 239 D HA -0.006 4.634 4.640 0.000 0.000 0.240 239 D C -0.529 175.754 176.300 -0.029 0.000 1.195 239 D CA 0.172 54.065 54.000 -0.177 0.000 0.957 239 D CB -0.875 39.779 40.800 -0.242 0.000 1.105 239 D HN 0.396 nan 8.370 nan 0.000 0.477 240 N N 1.960 120.584 118.700 -0.127 0.000 3.124 240 N HA 0.044 4.784 4.740 0.000 0.000 0.284 240 N C -0.275 175.370 175.510 0.225 0.000 1.209 240 N CA -0.380 52.700 53.050 0.050 0.000 1.149 240 N CB -0.431 37.995 38.487 -0.103 0.000 1.434 240 N HN 0.389 nan 8.380 nan 0.000 0.529 241 L N 2.411 123.801 121.223 0.278 0.000 2.615 241 L HA -0.116 4.224 4.340 0.000 0.000 0.284 241 L C 0.735 177.770 176.870 0.274 0.000 1.237 241 L CA 0.849 55.872 54.840 0.306 0.000 0.905 241 L CB -0.054 42.152 42.059 0.245 0.000 1.149 241 L HN 0.760 nan 8.230 nan 0.000 0.499 242 N N 2.322 121.137 118.700 0.192 0.000 2.900 242 N HA -0.303 4.437 4.740 0.000 0.000 0.240 242 N C -0.454 175.134 175.510 0.129 0.000 0.953 242 N CA 0.821 53.917 53.050 0.076 0.000 0.950 242 N CB -0.663 37.929 38.487 0.174 0.000 1.102 242 N HN 0.765 nan 8.380 nan 0.000 0.593 243 Y N -2.630 117.826 120.300 0.260 0.000 4.798 243 Y HA -0.265 4.285 4.550 0.000 0.000 0.237 243 Y C 0.677 176.639 175.900 0.104 0.000 1.017 243 Y CA 1.195 59.379 58.100 0.140 0.000 2.010 243 Y CB -2.704 35.821 38.460 0.108 0.000 1.582 243 Y HN 0.657 nan 8.280 nan 0.000 0.621 244 N N -1.585 117.286 118.700 0.284 0.000 2.536 244 N HA 0.094 4.834 4.740 0.000 0.000 0.286 244 N C -0.383 175.293 175.510 0.277 0.000 1.577 244 N CA -0.287 52.906 53.050 0.239 0.000 0.883 244 N CB 0.293 38.932 38.487 0.252 0.000 1.390 244 N HN 0.081 nan 8.380 nan 0.000 0.491 245 Q N 0.459 120.423 119.800 0.273 0.000 2.283 245 Q HA -0.098 4.242 4.340 0.000 0.000 0.301 245 Q C 0.870 177.086 176.000 0.360 0.000 1.063 245 Q CA 0.065 56.066 55.803 0.329 0.000 0.952 245 Q CB 0.887 29.841 28.738 0.361 0.000 1.166 245 Q HN 0.521 nan 8.270 nan 0.000 0.381 246 W N 3.868 125.279 121.300 0.185 0.000 2.318 246 W HA -0.254 4.406 4.660 0.000 0.000 0.313 246 W C 0.874 177.488 176.519 0.159 0.000 1.221 246 W CA 1.889 59.331 57.345 0.162 0.000 1.266 246 W CB 0.162 29.708 29.460 0.144 0.000 1.150 246 W HN 0.748 nan 8.180 nan 0.000 0.496 247 D N 0.441 120.985 120.400 0.240 0.000 2.403 247 D HA -0.157 4.483 4.640 0.000 0.000 0.227 247 D C 1.368 177.766 176.300 0.164 0.000 0.995 247 D CA 0.942 55.024 54.000 0.136 0.000 0.928 247 D CB -1.073 39.897 40.800 0.283 0.000 0.887 247 D HN 0.255 nan 8.370 nan 0.000 0.529 248 L N -0.220 121.050 121.223 0.079 0.000 2.769 248 L HA 0.215 4.555 4.340 0.000 0.000 0.240 248 L C 1.009 177.971 176.870 0.153 0.000 1.163 248 L CA -0.670 54.228 54.840 0.097 0.000 0.962 248 L CB -0.115 41.910 42.059 -0.058 0.000 1.258 248 L HN -0.009 nan 8.230 nan 0.000 0.513 249 R N 0.886 121.320 120.500 -0.110 0.000 2.594 249 R HA 0.321 4.661 4.340 0.000 0.000 0.272 249 R C -2.550 173.495 176.300 -0.424 0.000 1.074 249 R CA -1.591 54.337 56.100 -0.288 0.000 1.105 249 R CB -0.525 29.346 30.300 -0.716 0.000 1.008 249 R HN -0.181 nan 8.270 nan 0.000 0.472 250 P HA 0.124 nan 4.420 nan 0.000 0.269 250 P C -2.424 174.359 177.300 -0.861 0.000 1.209 250 P CA -1.222 61.122 63.100 -1.258 0.000 0.776 250 P CB -0.122 31.087 31.700 -0.819 0.000 0.876 251 P HA -0.133 nan 4.420 nan 0.000 0.259 251 P C -0.182 176.834 177.300 -0.474 0.000 1.155 251 P CA 0.967 63.590 63.100 -0.796 0.000 0.759 251 P CB -0.596 30.665 31.700 -0.732 0.000 0.753 252 H N -1.644 117.320 119.070 -0.176 0.000 2.921 252 H HA -0.266 4.290 4.556 0.000 0.000 0.281 252 H C 0.408 175.714 175.328 -0.037 0.000 1.165 252 H CA 0.548 56.548 56.048 -0.079 0.000 1.151 252 H CB -2.560 27.166 29.762 -0.061 0.000 1.311 252 H HN 0.617 nan 8.280 nan 0.000 0.361 253 H N 2.524 121.529 119.070 -0.109 0.000 3.046 253 H HA 0.089 4.645 4.556 0.000 0.000 0.303 253 H C 0.315 175.685 175.328 0.069 0.000 1.002 253 H CA 0.369 56.385 56.048 -0.054 0.000 1.460 253 H CB 0.565 30.233 29.762 -0.156 0.000 1.493 253 H HN 0.434 nan 8.280 nan 0.000 0.559 254 D N 3.481 123.720 120.400 -0.270 0.000 2.268 254 D HA 0.500 5.140 4.640 0.000 0.000 0.249 254 D C 0.508 176.680 176.300 -0.214 0.000 1.008 254 D CA -0.128 53.815 54.000 -0.095 0.000 0.939 254 D CB 1.732 42.516 40.800 -0.026 0.000 1.170 254 D HN 0.896 nan 8.370 nan 0.000 0.468 255 G N -0.588 108.250 108.800 0.063 0.000 2.756 255 G HA2 0.293 4.254 3.960 0.000 0.000 0.678 255 G HA3 0.293 4.254 3.960 0.000 0.000 0.678 255 G C 0.032 175.128 174.900 0.327 0.000 1.349 255 G CA -0.290 44.880 45.100 0.118 0.000 0.847 255 G HN 0.901 nan 8.290 nan 0.000 0.548 256 A N -0.863 122.125 122.820 0.281 0.000 2.482 256 A HA 0.544 4.864 4.320 0.000 0.000 0.249 256 A C 0.358 178.275 177.584 0.556 0.000 1.114 256 A CA 1.476 53.728 52.037 0.358 0.000 0.797 256 A CB 0.534 19.684 19.000 0.249 0.000 1.067 256 A HN 2.370 nan 8.150 nan 0.000 0.514 257 L N 0.606 122.135 121.223 0.510 0.000 2.439 257 L HA 0.494 4.834 4.340 0.000 0.000 0.270 257 L C -1.237 175.813 176.870 0.300 0.000 0.972 257 L CA -0.474 54.621 54.840 0.425 0.000 0.836 257 L CB 1.652 43.967 42.059 0.427 0.000 1.255 257 L HN 0.653 nan 8.230 nan 0.000 0.404 258 N N 5.224 124.070 118.700 0.243 0.000 2.473 258 N HA 0.517 5.257 4.740 0.000 0.000 0.291 258 N C -2.647 172.965 175.510 0.169 0.000 1.083 258 N CA -1.955 51.238 53.050 0.238 0.000 0.951 258 N CB 1.062 39.711 38.487 0.270 0.000 1.164 258 N HN 0.387 nan 8.380 nan 0.000 0.480 259 P HA 0.080 nan 4.420 nan 0.000 0.262 259 P C -0.528 176.891 177.300 0.198 0.000 1.182 259 P CA 0.711 63.910 63.100 0.165 0.000 0.761 259 P CB 0.562 32.336 31.700 0.122 0.000 0.795 260 D N 0.752 121.117 120.400 -0.059 0.000 2.779 260 D HA 0.062 4.702 4.640 0.000 0.000 0.331 260 D C 0.513 176.668 176.300 -0.242 0.000 1.331 260 D CA -0.433 53.475 54.000 -0.153 0.000 0.866 260 D CB 0.251 40.811 40.800 -0.401 0.000 1.409 260 D HN 0.266 nan 8.370 nan 0.000 0.486 261 Y N 0.287 120.523 120.300 -0.107 0.000 2.352 261 Y HA -0.099 4.452 4.550 0.000 0.000 0.292 261 Y C 1.557 177.473 175.900 0.026 0.000 1.136 261 Y CA 1.286 59.383 58.100 -0.005 0.000 1.227 261 Y CB -1.108 37.401 38.460 0.082 0.000 0.991 261 Y HN 0.383 nan 8.280 nan 0.000 0.545 262 Y N 0.711 120.926 120.300 -0.142 0.000 2.502 262 Y HA 0.422 4.972 4.550 0.000 0.000 0.295 262 Y C -0.133 175.735 175.900 -0.054 0.000 1.193 262 Y CA -1.639 56.442 58.100 -0.032 0.000 1.295 262 Y CB -0.965 37.469 38.460 -0.044 0.000 1.059 262 Y HN 0.016 nan 8.280 nan 0.000 0.514 263 I N 3.704 124.185 120.570 -0.148 0.000 2.412 263 I HA 0.374 4.544 4.170 0.000 0.000 0.296 263 I C -2.337 173.726 176.117 -0.090 0.000 0.987 263 I CA -2.527 58.709 61.300 -0.107 0.000 1.180 263 I CB 1.717 39.621 38.000 -0.160 0.000 1.340 263 I HN -0.146 nan 8.210 nan 0.000 0.455 264 P HA 0.266 nan 4.420 nan 0.000 0.274 264 P C -0.756 176.467 177.300 -0.128 0.000 1.231 264 P CA -0.264 62.770 63.100 -0.109 0.000 0.790 264 P CB 1.471 33.096 31.700 -0.125 0.000 0.951 265 M N 0.839 120.365 119.600 -0.123 0.000 2.357 265 M HA 0.238 4.718 4.480 0.000 0.000 0.232 265 M C 1.308 177.482 176.300 -0.210 0.000 0.819 265 M CA -0.190 54.982 55.300 -0.213 0.000 1.630 265 M CB -0.468 32.051 32.600 -0.133 0.000 1.242 265 M HN 0.256 nan 8.290 nan 0.000 0.838 266 Y N -1.513 118.782 120.300 -0.008 0.000 2.509 266 Y HA 0.131 4.681 4.550 0.000 0.000 0.270 266 Y C 0.301 176.250 175.900 0.082 0.000 1.103 266 Y CA 0.142 58.239 58.100 -0.005 0.000 1.278 266 Y CB 0.256 38.664 38.460 -0.088 0.000 1.087 266 Y HN 0.288 nan 8.280 nan 0.000 0.542 267 Y N 0.960 121.307 120.300 0.079 0.000 2.360 267 Y HA 0.671 5.221 4.550 0.000 0.000 0.337 267 Y C -0.196 175.736 175.900 0.054 0.000 1.039 267 Y CA -2.464 55.667 58.100 0.051 0.000 1.109 267 Y CB 0.932 39.403 38.460 0.019 0.000 1.201 267 Y HN -0.082 nan 8.280 nan 0.000 0.458 268 A N 4.197 126.863 122.820 -0.257 0.000 2.302 268 A HA 0.686 5.006 4.320 0.000 0.000 0.295 268 A C -0.490 176.918 177.584 -0.293 0.000 1.235 268 A CA 0.134 52.092 52.037 -0.131 0.000 0.876 268 A CB -0.669 18.409 19.000 0.129 0.000 1.133 268 A HN 1.065 nan 8.150 nan 0.000 0.533 269 A N 4.898 127.661 122.820 -0.095 0.000 3.300 269 A HA 0.617 4.938 4.320 0.000 0.000 0.300 269 A C -2.764 174.875 177.584 0.091 0.000 1.099 269 A CA -1.015 51.010 52.037 -0.020 0.000 0.846 269 A CB 0.681 19.746 19.000 0.109 0.000 1.255 269 A HN 0.508 nan 8.150 nan 0.000 0.519 270 P HA 0.092 nan 4.420 nan 0.000 0.230 270 P C -0.653 176.787 177.300 0.233 0.000 1.791 270 P CA 0.412 63.562 63.100 0.083 0.000 1.020 270 P CB -0.638 31.089 31.700 0.045 0.000 1.977 271 W N 5.084 126.370 121.300 -0.022 0.000 2.934 271 W HA 0.400 5.060 4.660 0.000 0.000 0.333 271 W C -2.407 174.106 176.519 -0.011 0.000 1.035 271 W CA -0.807 56.534 57.345 -0.006 0.000 1.256 271 W CB 1.229 30.706 29.460 0.027 0.000 1.306 271 W HN -0.130 nan 8.180 nan 0.000 0.430 272 L N 6.824 127.650 121.223 -0.662 0.000 2.346 272 L HA 0.570 4.910 4.340 0.000 0.000 0.274 272 L C 0.036 176.415 176.870 -0.817 0.000 1.007 272 L CA -1.186 53.333 54.840 -0.535 0.000 0.818 272 L CB 2.505 44.491 42.059 -0.121 0.000 1.284 272 L HN 0.266 nan 8.230 nan 0.000 0.424 273 I N 3.097 123.356 120.570 -0.517 0.000 2.330 273 I HA 0.261 4.431 4.170 0.000 0.000 0.286 273 I C -0.152 175.814 176.117 -0.251 0.000 1.025 273 I CA -0.697 60.352 61.300 -0.418 0.000 1.197 273 I CB 1.635 39.499 38.000 -0.226 0.000 1.358 273 I HN 0.253 nan 8.210 nan 0.000 0.467 274 V N 5.689 125.320 119.914 -0.472 0.000 2.775 274 V HA 0.210 4.330 4.120 0.000 0.000 0.299 274 V C 0.062 175.913 176.094 -0.405 0.000 1.062 274 V CA -0.199 61.745 62.300 -0.593 0.000 1.063 274 V CB 1.286 32.569 31.823 -0.899 0.000 0.994 274 V HN 0.835 nan 8.190 nan 0.000 0.483 275 N N 1.875 120.348 118.700 -0.379 0.000 2.578 275 N HA 0.582 5.322 4.740 0.000 0.000 0.282 275 N C -0.591 174.657 175.510 -0.435 0.000 1.119 275 N CA 0.070 52.900 53.050 -0.366 0.000 0.948 275 N CB 1.700 40.046 38.487 -0.236 0.000 1.546 275 N HN 0.899 nan 8.380 nan 0.000 0.525 276 G N 0.476 108.797 108.800 -0.798 0.000 2.714 276 G HA2 0.470 4.430 3.960 0.000 0.000 0.292 276 G HA3 0.470 4.430 3.960 0.000 0.000 0.292 276 G C 0.003 174.679 174.900 -0.373 0.000 1.308 276 G CA -0.493 44.247 45.100 -0.601 0.000 0.964 276 G HN 0.943 nan 8.290 nan 0.000 0.484 277 C N -0.626 118.617 119.300 -0.096 0.000 4.184 277 C HA -0.103 4.357 4.460 0.000 0.000 0.295 277 C C 1.649 176.617 174.990 -0.036 0.000 1.477 277 C CA -0.276 58.739 59.018 -0.004 0.000 2.037 277 C CB -2.719 25.078 27.740 0.096 0.000 1.282 277 C HN 1.412 nan 8.230 nan 0.000 0.783 278 A N -0.248 122.529 122.820 -0.072 0.000 2.565 278 A HA 0.419 4.739 4.320 0.000 0.000 0.237 278 A C 1.597 179.162 177.584 -0.031 0.000 1.053 278 A CA 1.373 53.372 52.037 -0.064 0.000 0.755 278 A CB -0.166 18.798 19.000 -0.060 0.000 0.980 278 A HN 2.386 nan 8.150 nan 0.000 0.506 279 G N 1.381 110.165 108.800 -0.027 0.000 2.253 279 G HA2 -0.206 3.754 3.960 0.000 0.000 0.251 279 G HA3 -0.206 3.754 3.960 0.000 0.000 0.251 279 G C 0.743 175.636 174.900 -0.011 0.000 0.998 279 G CA 1.208 46.301 45.100 -0.013 0.000 0.621 279 G HN 2.166 nan 8.290 nan 0.000 0.524 280 T N -1.311 113.238 114.554 -0.008 0.000 2.862 280 T HA 0.634 4.985 4.350 0.000 0.000 0.276 280 T C 1.826 176.526 174.700 -0.001 0.000 0.974 280 T CA 0.962 63.061 62.100 -0.002 0.000 0.966 280 T CB 1.434 70.306 68.868 0.006 0.000 1.072 280 T HN 1.091 nan 8.240 nan 0.000 0.538 281 S N -0.612 115.088 115.700 0.001 0.000 2.489 281 S HA -0.045 4.425 4.470 0.000 0.000 0.228 281 S C 1.245 175.855 174.600 0.017 0.000 0.995 281 S CA 0.570 58.770 58.200 0.000 0.000 0.934 281 S CB -0.529 62.667 63.200 -0.005 0.000 0.771 281 S HN 0.923 nan 8.310 nan 0.000 0.522 282 E N 1.571 121.788 120.200 0.030 0.000 2.423 282 E HA 0.141 4.491 4.350 0.000 0.000 0.198 282 E C 0.304 176.976 176.600 0.119 0.000 1.038 282 E CA -0.554 55.879 56.400 0.055 0.000 1.011 282 E CB -0.126 29.593 29.700 0.031 0.000 1.118 282 E HN 0.670 nan 8.360 nan 0.000 0.451 283 Q N 1.403 121.259 119.800 0.093 0.000 2.432 283 Q HA 0.014 4.354 4.340 0.000 0.000 0.264 283 Q C -1.209 174.920 176.000 0.214 0.000 1.035 283 Q CA 0.021 55.879 55.803 0.092 0.000 0.908 283 Q CB 0.394 29.135 28.738 0.005 0.000 1.280 283 Q HN 0.407 nan 8.270 nan 0.000 0.455 284 Y N -1.138 119.204 120.300 0.071 0.000 2.513 284 Y HA 0.673 5.223 4.550 0.000 0.000 0.340 284 Y C -1.468 174.510 175.900 0.131 0.000 1.055 284 Y CA -0.967 57.231 58.100 0.163 0.000 1.020 284 Y CB 1.674 40.265 38.460 0.218 0.000 1.301 284 Y HN 0.447 nan 8.280 nan 0.000 0.453 285 S N 2.844 118.636 115.700 0.154 0.000 2.538 285 S HA 0.712 5.183 4.470 0.000 0.000 0.288 285 S C -1.887 172.808 174.600 0.158 0.000 1.108 285 S CA -0.795 57.403 58.200 -0.004 0.000 0.971 285 S CB 1.119 64.236 63.200 -0.139 0.000 1.041 285 S HN 0.835 nan 8.310 nan 0.000 0.483 286 Y N -0.332 120.001 120.300 0.054 0.000 2.513 286 Y HA 0.802 5.352 4.550 0.000 0.000 0.340 286 Y C -0.198 175.711 175.900 0.015 0.000 1.055 286 Y CA -1.120 57.048 58.100 0.114 0.000 1.020 286 Y CB 0.529 39.177 38.460 0.313 0.000 1.301 286 Y HN 0.677 nan 8.280 nan 0.000 0.453 287 G N 1.417 110.218 108.800 0.001 0.000 2.462 287 G HA2 0.443 4.403 3.960 0.000 0.000 0.319 287 G HA3 0.443 4.403 3.960 0.000 0.000 0.319 287 G C -2.344 172.461 174.900 -0.158 0.000 1.171 287 G CA -0.661 44.195 45.100 -0.407 0.000 0.920 287 G HN 0.800 nan 8.290 nan 0.000 0.499 288 W N 1.802 122.674 121.300 -0.713 0.000 2.884 288 W HA 0.620 5.280 4.660 0.000 0.000 0.336 288 W C -2.593 173.872 176.519 -0.091 0.000 1.038 288 W CA -2.402 54.775 57.345 -0.280 0.000 1.247 288 W CB 1.503 30.863 29.460 -0.166 0.000 1.351 288 W HN 0.271 nan 8.180 nan 0.000 0.446 289 F N 8.226 128.271 119.950 0.157 0.000 2.499 289 F HA 0.509 5.036 4.527 0.000 0.000 0.333 289 F C -0.885 174.910 175.800 -0.008 0.000 1.138 289 F CA -1.554 56.515 58.000 0.115 0.000 0.945 289 F CB 1.462 40.563 39.000 0.169 0.000 1.181 289 F HN 0.237 nan 8.300 nan 0.000 0.435 290 M N 6.109 125.450 119.600 -0.432 0.000 2.289 290 M HA 0.217 4.697 4.480 0.000 0.000 0.354 290 M C -0.661 175.161 176.300 -0.798 0.000 1.210 290 M CA -0.554 54.409 55.300 -0.562 0.000 1.174 290 M CB -0.107 32.225 32.600 -0.445 0.000 1.297 290 M HN 0.578 nan 8.290 nan 0.000 0.423 291 D N 4.526 124.217 120.400 -1.182 0.000 2.356 291 D HA 0.049 4.689 4.640 0.000 0.000 0.272 291 D C -1.105 175.007 176.300 -0.312 0.000 1.337 291 D CA 1.006 54.444 54.000 -0.937 0.000 0.970 291 D CB 0.222 40.675 40.800 -0.578 0.000 1.092 291 D HN 0.640 nan 8.370 nan 0.000 0.516 292 N N 3.233 121.844 118.700 -0.149 0.000 2.635 292 N HA 0.010 4.750 4.740 0.000 0.000 0.260 292 N C -0.005 175.380 175.510 -0.208 0.000 1.078 292 N CA -0.481 52.475 53.050 -0.156 0.000 1.012 292 N CB 1.392 39.792 38.487 -0.145 0.000 1.677 292 N HN 0.037 nan 8.380 nan 0.000 0.514 293 V N 0.421 120.141 119.914 -0.323 0.000 3.660 293 V HA 0.288 4.408 4.120 0.000 0.000 0.276 293 V C 1.244 177.180 176.094 -0.264 0.000 1.317 293 V CA 0.674 62.687 62.300 -0.478 0.000 1.097 293 V CB -0.339 31.148 31.823 -0.561 0.000 0.863 293 V HN 0.613 nan 8.190 nan 0.000 0.438 294 S N 0.260 115.876 115.700 -0.139 0.000 2.641 294 S HA 0.230 4.700 4.470 0.000 0.000 0.261 294 S C 0.232 174.816 174.600 -0.025 0.000 1.257 294 S CA -0.214 57.959 58.200 -0.045 0.000 0.983 294 S CB 0.574 63.822 63.200 0.079 0.000 0.990 294 S HN 0.641 nan 8.310 nan 0.000 0.572 295 Q N 0.643 120.473 119.800 0.050 0.000 2.286 295 Q HA 0.247 4.587 4.340 0.000 0.000 0.290 295 Q C -0.717 175.180 176.000 -0.172 0.000 1.049 295 Q CA 0.070 55.867 55.803 -0.009 0.000 0.923 295 Q CB 0.206 28.994 28.738 0.083 0.000 1.183 295 Q HN 0.790 nan 8.270 nan 0.000 0.383 296 S N 3.126 118.606 115.700 -0.366 0.000 2.671 296 S HA 0.710 5.180 4.470 0.000 0.000 0.299 296 S C -1.439 172.733 174.600 -0.715 0.000 1.116 296 S CA -0.748 57.235 58.200 -0.362 0.000 0.912 296 S CB 0.973 64.074 63.200 -0.165 0.000 1.130 296 S HN 0.575 nan 8.310 nan 0.000 0.501 297 Y N -0.386 119.714 120.300 -0.333 0.000 2.504 297 Y HA 0.620 5.170 4.550 0.000 0.000 0.344 297 Y C -0.706 175.042 175.900 -0.253 0.000 1.023 297 Y CA -1.035 56.862 58.100 -0.337 0.000 1.020 297 Y CB 1.987 40.089 38.460 -0.596 0.000 1.282 297 Y HN 0.483 nan 8.280 nan 0.000 0.454 298 M N 3.331 122.861 119.600 -0.117 0.000 2.060 298 M HA 0.289 4.769 4.480 0.000 0.000 0.275 298 M C -1.176 174.913 176.300 -0.351 0.000 0.919 298 M CA -0.356 54.788 55.300 -0.259 0.000 0.970 298 M CB 1.343 33.800 32.600 -0.238 0.000 1.670 298 M HN 0.474 nan 8.290 nan 0.000 0.440 299 N N 2.073 120.374 118.700 -0.666 0.000 2.469 299 N HA 0.295 5.035 4.740 0.000 0.000 0.253 299 N C -0.065 175.063 175.510 -0.638 0.000 0.970 299 N CA -0.064 52.539 53.050 -0.744 0.000 0.940 299 N CB 1.439 39.086 38.487 -1.399 0.000 1.128 299 N HN 0.695 nan 8.380 nan 0.000 0.503 300 T N 0.060 114.296 114.554 -0.530 0.000 3.273 300 T HA 0.360 4.710 4.350 0.000 0.000 0.254 300 T C 0.952 175.373 174.700 -0.465 0.000 1.002 300 T CA -0.009 61.667 62.100 -0.706 0.000 0.913 300 T CB -0.283 68.071 68.868 -0.857 0.000 1.056 300 T HN 0.591 nan 8.240 nan 0.000 0.576 301 G N 0.803 109.425 108.800 -0.298 0.000 2.151 301 G HA2 -0.152 3.808 3.960 0.000 0.000 0.156 301 G HA3 -0.152 3.808 3.960 0.000 0.000 0.156 301 G C -0.468 174.363 174.900 -0.116 0.000 1.017 301 G CA -0.428 44.579 45.100 -0.156 0.000 0.686 301 G HN 0.614 nan 8.290 nan 0.000 0.503 302 D N 0.750 121.074 120.400 -0.126 0.000 2.308 302 D HA 0.518 5.159 4.640 0.000 0.000 0.251 302 D C 1.825 178.120 176.300 -0.008 0.000 1.127 302 D CA 0.680 54.633 54.000 -0.078 0.000 0.876 302 D CB 1.162 41.928 40.800 -0.056 0.000 1.176 302 D HN 0.258 nan 8.370 nan 0.000 0.446 303 T N -0.751 113.791 114.554 -0.019 0.000 3.069 303 T HA 0.092 4.442 4.350 0.000 0.000 0.252 303 T C 0.694 175.384 174.700 -0.018 0.000 1.053 303 T CA -0.272 61.827 62.100 -0.001 0.000 0.964 303 T CB -0.236 68.622 68.868 -0.017 0.000 1.005 303 T HN 0.244 nan 8.240 nan 0.000 0.532 304 T N 2.985 117.495 114.554 -0.074 0.000 2.928 304 T HA 0.067 4.417 4.350 0.000 0.000 0.305 304 T C 0.120 174.773 174.700 -0.079 0.000 1.035 304 T CA 0.068 61.985 62.100 -0.306 0.000 1.145 304 T CB -0.177 68.310 68.868 -0.634 0.000 0.963 304 T HN 0.568 nan 8.240 nan 0.000 0.545 305 W N 1.666 123.025 121.300 0.099 0.000 2.589 305 W HA -0.301 4.359 4.660 0.000 0.000 0.272 305 W C 0.752 177.328 176.519 0.095 0.000 1.060 305 W CA 0.457 57.869 57.345 0.112 0.000 0.533 305 W CB -2.436 27.145 29.460 0.201 0.000 2.084 305 W HN 0.996 nan 8.180 nan 0.000 1.371 306 N N -0.442 118.375 118.700 0.195 0.000 2.756 306 N HA -0.205 4.535 4.740 0.000 0.000 0.248 306 N C 0.953 176.560 175.510 0.162 0.000 1.062 306 N CA 1.361 54.491 53.050 0.133 0.000 0.696 306 N CB -0.963 37.584 38.487 0.100 0.000 0.946 306 N HN 0.430 nan 8.380 nan 0.000 0.548 307 S N -1.957 113.881 115.700 0.231 0.000 2.456 307 S HA 0.321 4.791 4.470 0.000 0.000 0.224 307 S C 1.034 175.805 174.600 0.285 0.000 1.035 307 S CA 0.731 59.091 58.200 0.266 0.000 0.940 307 S CB 1.185 64.612 63.200 0.378 0.000 0.799 307 S HN 0.562 nan 8.310 nan 0.000 0.508 308 G N -0.376 108.548 108.800 0.207 0.000 2.827 308 G HA2 0.661 4.621 3.960 0.000 0.000 0.296 308 G HA3 0.661 4.621 3.960 0.000 0.000 0.296 308 G C -2.029 172.918 174.900 0.080 0.000 1.362 308 G CA -0.819 44.399 45.100 0.197 0.000 0.809 308 G HN 0.221 nan 8.290 nan 0.000 0.522 309 Q N -0.836 118.996 119.800 0.053 0.000 2.397 309 Q HA 0.308 4.648 4.340 0.000 0.000 0.275 309 Q C 0.440 176.436 176.000 -0.007 0.000 1.090 309 Q CA -0.657 55.155 55.803 0.015 0.000 0.809 309 Q CB 3.001 31.745 28.738 0.010 0.000 1.362 309 Q HN 0.663 nan 8.270 nan 0.000 0.431 310 E N 0.805 120.998 120.200 -0.011 0.000 2.160 310 E HA -0.197 4.153 4.350 0.000 0.000 0.195 310 E C 0.154 176.748 176.600 -0.010 0.000 0.991 310 E CA 1.017 57.409 56.400 -0.013 0.000 0.810 310 E CB 0.222 29.920 29.700 -0.002 0.000 0.742 310 E HN 0.552 nan 8.360 nan 0.000 0.466 311 D N 0.112 120.501 120.400 -0.018 0.000 2.371 311 D HA 0.057 4.697 4.640 0.000 0.000 0.221 311 D C 0.530 176.790 176.300 -0.067 0.000 0.986 311 D CA 0.692 54.664 54.000 -0.047 0.000 0.899 311 D CB 0.256 41.032 40.800 -0.041 0.000 0.902 311 D HN 0.108 nan 8.370 nan 0.000 0.530 312 L N -0.645 120.563 121.223 -0.024 0.000 2.327 312 L HA 0.746 5.086 4.340 0.000 0.000 0.258 312 L C -0.757 176.120 176.870 0.012 0.000 1.024 312 L CA -1.155 53.693 54.840 0.013 0.000 0.825 312 L CB 2.230 44.325 42.059 0.060 0.000 1.386 312 L HN -0.266 nan 8.230 nan 0.000 0.417 313 A N 1.098 123.972 122.820 0.089 0.000 2.459 313 A HA 0.753 5.073 4.320 0.000 0.000 0.296 313 A C -1.744 176.027 177.584 0.311 0.000 1.039 313 A CA -0.383 51.676 52.037 0.037 0.000 0.698 313 A CB 1.383 20.417 19.000 0.056 0.000 1.261 313 A HN 0.645 nan 8.150 nan 0.000 0.405 314 Y N -0.585 119.814 120.300 0.165 0.000 2.677 314 Y HA 0.915 5.465 4.550 0.000 0.000 0.334 314 Y C -0.753 175.140 175.900 -0.011 0.000 1.154 314 Y CA -1.636 56.611 58.100 0.244 0.000 1.070 314 Y CB 1.335 39.905 38.460 0.183 0.000 1.294 314 Y HN 0.615 nan 8.280 nan 0.000 0.475 315 M N 0.666 120.427 119.600 0.269 0.000 2.618 315 M HA 0.778 5.258 4.480 0.000 0.000 0.281 315 M C -0.799 175.666 176.300 0.275 0.000 1.267 315 M CA -0.641 54.661 55.300 0.003 0.000 0.845 315 M CB 3.201 35.448 32.600 -0.588 0.000 1.732 315 M HN 1.155 nan 8.290 nan 0.000 0.461 316 G N 0.415 109.315 108.800 0.165 0.000 2.355 316 G HA2 0.652 4.612 3.960 0.000 0.000 0.296 316 G HA3 0.652 4.612 3.960 0.000 0.000 0.296 316 G C -2.406 172.562 174.900 0.113 0.000 1.507 316 G CA -0.210 45.045 45.100 0.259 0.000 0.823 316 G HN 0.928 nan 8.290 nan 0.000 0.569 317 A N -0.375 122.553 122.820 0.180 0.000 2.389 317 A HA 0.800 5.120 4.320 0.000 0.000 0.293 317 A C 0.730 178.456 177.584 0.238 0.000 1.186 317 A CA -0.370 51.763 52.037 0.160 0.000 0.828 317 A CB 1.387 20.442 19.000 0.092 0.000 1.369 317 A HN 0.482 nan 8.150 nan 0.000 0.446 318 Q N -1.121 118.824 119.800 0.242 0.000 2.435 318 Q HA 0.113 4.453 4.340 0.000 0.000 0.207 318 Q C -1.025 174.903 176.000 -0.121 0.000 0.956 318 Q CA 1.178 57.068 55.803 0.145 0.000 0.917 318 Q CB -0.079 28.809 28.738 0.250 0.000 0.997 318 Q HN 0.602 nan 8.270 nan 0.000 0.497 319 Y N -1.811 118.531 120.300 0.071 0.000 2.588 319 Y HA 0.493 5.043 4.550 0.000 0.000 0.343 319 Y C 0.790 176.689 175.900 -0.002 0.000 1.065 319 Y CA -0.964 57.152 58.100 0.028 0.000 1.038 319 Y CB 1.224 39.704 38.460 0.034 0.000 1.297 319 Y HN -0.067 nan 8.280 nan 0.000 0.467 320 G N 1.410 110.274 108.800 0.108 0.000 2.683 320 G HA2 0.434 4.394 3.960 0.000 0.000 0.260 320 G HA3 0.434 4.394 3.960 0.000 0.000 0.260 320 G C -2.646 172.272 174.900 0.030 0.000 1.238 320 G CA -0.816 44.278 45.100 -0.009 0.000 0.934 320 G HN 0.332 nan 8.290 nan 0.000 0.534 321 P HA 0.391 nan 4.420 nan 0.000 0.310 321 P C -1.231 176.016 177.300 -0.088 0.000 1.309 321 P CA -0.801 62.236 63.100 -0.106 0.000 0.769 321 P CB 0.749 32.406 31.700 -0.072 0.000 1.327 322 F N 0.676 120.428 119.950 -0.331 0.000 2.388 322 F HA 0.445 4.972 4.527 0.000 0.000 0.358 322 F C -0.583 175.187 175.800 -0.050 0.000 1.122 322 F CA -0.106 57.766 58.000 -0.213 0.000 1.056 322 F CB 0.616 39.359 39.000 -0.430 0.000 1.155 322 F HN 0.044 nan 8.300 nan 0.000 0.461 323 D N 5.680 125.980 120.400 -0.167 0.000 2.323 323 D HA 0.160 4.800 4.640 0.000 0.000 0.242 323 D C -1.368 174.860 176.300 -0.121 0.000 1.347 323 D CA -0.153 53.842 54.000 -0.007 0.000 0.988 323 D CB 1.246 42.062 40.800 0.027 0.000 1.314 323 D HN 0.676 nan 8.370 nan 0.000 0.564 324 Q N 1.878 121.644 119.800 -0.056 0.000 2.345 324 Q HA 0.547 4.887 4.340 0.000 0.000 0.268 324 Q C -1.298 174.596 176.000 -0.176 0.000 1.054 324 Q CA -0.739 54.993 55.803 -0.117 0.000 0.835 324 Q CB 1.584 30.301 28.738 -0.036 0.000 1.339 324 Q HN 0.431 nan 8.270 nan 0.000 0.447 325 H N 1.547 120.509 119.070 -0.180 0.000 2.840 325 H HA 0.374 4.930 4.556 0.000 0.000 0.340 325 H C -1.537 173.677 175.328 -0.191 0.000 1.004 325 H CA -0.293 55.744 56.048 -0.018 0.000 1.288 325 H CB 0.854 30.791 29.762 0.292 0.000 1.607 325 H HN 0.426 nan 8.280 nan 0.000 0.522 326 F N 2.670 122.637 119.950 0.028 0.000 2.375 326 F HA 0.426 4.953 4.527 0.000 0.000 0.361 326 F C -0.306 175.541 175.800 0.078 0.000 1.117 326 F CA -0.915 57.060 58.000 -0.042 0.000 1.037 326 F CB 1.211 39.921 39.000 -0.484 0.000 1.192 326 F HN 0.204 nan 8.300 nan 0.000 0.452 327 V N 4.836 124.975 119.914 0.375 0.000 2.284 327 V HA 0.052 4.172 4.120 0.000 0.000 0.274 327 V C 0.436 176.763 176.094 0.389 0.000 1.023 327 V CA -0.625 61.895 62.300 0.368 0.000 0.808 327 V CB 0.463 32.494 31.823 0.347 0.000 1.035 327 V HN 0.786 nan 8.190 nan 0.000 0.445 328 Y N 4.669 125.136 120.300 0.279 0.000 2.200 328 Y HA 0.337 4.887 4.550 0.000 0.000 0.290 328 Y C 1.413 177.442 175.900 0.216 0.000 1.137 328 Y CA 1.532 59.784 58.100 0.254 0.000 1.163 328 Y CB 0.052 38.622 38.460 0.182 0.000 0.988 328 Y HN 0.772 nan 8.280 nan 0.000 0.518 329 G N -1.213 107.695 108.800 0.179 0.000 2.592 329 G HA2 0.131 4.091 3.960 0.000 0.000 0.684 329 G HA3 0.131 4.091 3.960 0.000 0.000 0.684 329 G C 0.227 175.208 174.900 0.135 0.000 1.291 329 G CA -0.362 44.788 45.100 0.084 0.000 0.891 329 G HN 0.811 nan 8.290 nan 0.000 0.544 330 A N -0.637 122.246 122.820 0.105 0.000 1.963 330 A HA 0.796 5.116 4.320 0.000 0.000 0.211 330 A C 2.001 179.643 177.584 0.097 0.000 1.380 330 A CA 1.750 53.866 52.037 0.132 0.000 0.690 330 A CB -0.684 18.392 19.000 0.127 0.000 1.060 330 A HN 2.436 nan 8.150 nan 0.000 0.498 331 G N -0.753 108.077 108.800 0.050 0.000 2.525 331 G HA2 0.434 4.394 3.960 0.000 0.000 0.276 331 G HA3 0.434 4.394 3.960 0.000 0.000 0.276 331 G C 0.420 175.317 174.900 -0.006 0.000 1.388 331 G CA 0.123 45.238 45.100 0.026 0.000 1.050 331 G HN 0.830 nan 8.290 nan 0.000 0.520 332 G N -2.607 106.184 108.800 -0.016 0.000 2.434 332 G HA2 0.691 4.651 3.960 0.000 0.000 0.330 332 G HA3 0.691 4.651 3.960 0.000 0.000 0.330 332 G C 0.250 175.110 174.900 -0.067 0.000 1.155 332 G CA 0.456 45.536 45.100 -0.035 0.000 0.917 332 G HN 1.925 nan 8.290 nan 0.000 0.493 333 G N -0.394 108.357 108.800 -0.081 0.000 2.699 333 G HA2 -0.123 3.837 3.960 0.000 0.000 0.686 333 G HA3 -0.123 3.837 3.960 0.000 0.000 0.686 333 G C 0.834 175.682 174.900 -0.087 0.000 1.301 333 G CA 0.158 45.209 45.100 -0.082 0.000 0.816 333 G HN 0.701 nan 8.290 nan 0.000 0.595 334 M N 0.067 119.619 119.600 -0.081 0.000 2.132 334 M HA 0.014 4.494 4.480 0.000 0.000 0.263 334 M C 1.698 177.997 176.300 -0.002 0.000 1.065 334 M CA 1.530 56.783 55.300 -0.078 0.000 1.122 334 M CB -0.259 32.255 32.600 -0.142 0.000 1.365 334 M HN 0.749 nan 8.290 nan 0.000 0.411 338 V N 1.690 121.742 119.914 0.231 0.000 2.261 338 V HA -0.250 3.870 4.120 0.000 0.000 0.246 338 V C 2.836 179.012 176.094 0.137 0.000 1.047 338 V CA 3.270 65.700 62.300 0.216 0.000 1.015 338 V CB -0.986 30.919 31.823 0.138 0.000 0.642 338 V HN 0.809 nan 8.190 nan 0.000 0.446 339 T N -0.926 113.693 114.554 0.109 0.000 2.857 339 T HA -0.067 4.283 4.350 0.000 0.000 0.266 339 T C 1.917 176.684 174.700 0.112 0.000 1.048 339 T CA 1.345 63.494 62.100 0.081 0.000 1.139 339 T CB -0.483 68.436 68.868 0.085 0.000 0.874 339 T HN 0.454 nan 8.240 nan 0.000 0.455 340 A N 0.528 123.444 122.820 0.160 0.000 2.019 340 A HA 0.128 4.448 4.320 0.000 0.000 0.219 340 A C 1.992 179.733 177.584 0.262 0.000 1.164 340 A CA 1.130 53.289 52.037 0.204 0.000 0.644 340 A CB -0.979 18.150 19.000 0.215 0.000 0.805 340 A HN 0.513 nan 8.150 nan 0.000 0.449 341 F N 1.394 121.358 119.950 0.022 0.000 2.187 341 F HA -0.044 4.484 4.527 0.000 0.000 0.295 341 F C 2.669 178.360 175.800 -0.183 0.000 1.091 341 F CA 1.329 59.264 58.000 -0.109 0.000 1.308 341 F CB -0.807 37.995 39.000 -0.329 0.000 1.030 341 F HN 0.304 nan 8.300 nan 0.000 0.487 342 S N 0.397 115.982 115.700 -0.191 0.000 2.447 342 S HA -0.176 4.294 4.470 0.000 0.000 0.233 342 S C 2.104 176.610 174.600 -0.157 0.000 1.006 342 S CA 1.161 59.166 58.200 -0.325 0.000 0.957 342 S CB -0.996 62.067 63.200 -0.229 0.000 0.773 342 S HN 0.431 nan 8.310 nan 0.000 0.507 343 L N 1.197 122.409 121.223 -0.019 0.000 2.093 343 L HA 0.206 4.546 4.340 0.000 0.000 0.208 343 L C 2.067 178.976 176.870 0.066 0.000 1.085 343 L CA 1.489 56.360 54.840 0.052 0.000 0.755 343 L CB -0.416 41.726 42.059 0.139 0.000 0.904 343 L HN 0.401 nan 8.230 nan 0.000 0.435 344 L N -1.186 120.082 121.223 0.075 0.000 2.465 344 L HA -0.069 4.271 4.340 0.000 0.000 0.224 344 L C 2.032 178.887 176.870 -0.024 0.000 1.145 344 L CA 0.592 55.486 54.840 0.089 0.000 0.834 344 L CB -0.659 41.503 42.059 0.172 0.000 0.944 344 L HN 0.386 nan 8.230 nan 0.000 0.451 345 Q N 0.264 119.982 119.800 -0.136 0.000 2.356 345 Q HA 0.159 4.499 4.340 0.000 0.000 0.205 345 Q C 1.413 177.416 176.000 0.005 0.000 0.901 345 Q CA 0.095 55.816 55.803 -0.138 0.000 0.938 345 Q CB 0.561 29.092 28.738 -0.345 0.000 1.081 345 Q HN 0.524 nan 8.270 nan 0.000 0.517 346 G N 0.899 109.687 108.800 -0.019 0.000 2.525 346 G HA2 0.065 4.025 3.960 0.000 0.000 0.276 346 G HA3 0.065 4.025 3.960 0.000 0.000 0.276 346 G C 0.411 175.217 174.900 -0.157 0.000 1.388 346 G CA -0.166 44.911 45.100 -0.038 0.000 1.050 346 G HN -0.028 nan 8.290 nan 0.000 0.520 347 K N -0.822 119.444 120.400 -0.224 0.000 2.895 347 K HA 0.176 4.496 4.320 0.000 0.000 0.200 347 K C 1.087 177.422 176.600 -0.442 0.000 1.133 347 K CA -0.155 55.927 56.287 -0.341 0.000 1.060 347 K CB 0.992 33.227 32.500 -0.441 0.000 0.735 347 K HN 0.442 nan 8.250 nan 0.000 0.451 348 E N -0.099 119.822 120.200 -0.465 0.000 2.209 348 E HA -0.136 4.214 4.350 0.000 0.000 0.196 348 E C 1.123 177.138 176.600 -0.976 0.000 0.993 348 E CA 1.066 56.988 56.400 -0.796 0.000 0.819 348 E CB -0.298 28.607 29.700 -1.325 0.000 0.745 348 E HN 0.445 nan 8.360 nan 0.000 0.477 349 F N -0.688 118.775 119.950 -0.811 0.000 2.802 349 F HA 0.235 4.762 4.527 0.000 0.000 0.300 349 F C 0.983 176.651 175.800 -0.220 0.000 1.168 349 F CA 0.237 57.932 58.000 -0.508 0.000 1.433 349 F CB 0.101 38.989 39.000 -0.187 0.000 1.115 349 F HN -0.128 nan 8.300 nan 0.000 0.582 350 E N 0.175 119.892 120.200 -0.805 0.000 2.538 350 E HA 0.064 4.415 4.350 0.000 0.000 0.207 350 E C 0.069 176.489 176.600 -0.300 0.000 1.002 350 E CA -0.093 55.953 56.400 -0.590 0.000 0.952 350 E CB -0.008 29.278 29.700 -0.689 0.000 1.031 350 E HN 0.337 nan 8.360 nan 0.000 0.476 351 N N 1.595 120.143 118.700 -0.253 0.000 2.753 351 N HA -0.162 4.579 4.740 0.000 0.000 0.251 351 N C -0.591 174.853 175.510 -0.110 0.000 1.097 351 N CA 0.672 53.650 53.050 -0.120 0.000 0.786 351 N CB -0.780 37.683 38.487 -0.040 0.000 1.137 351 N HN 0.286 nan 8.380 nan 0.000 0.566 352 Q N 0.801 120.494 119.800 -0.178 0.000 2.339 352 Q HA -0.017 4.323 4.340 0.000 0.000 0.308 352 Q C 1.297 177.261 176.000 -0.060 0.000 1.097 352 Q CA 0.404 56.128 55.803 -0.131 0.000 1.007 352 Q CB 0.864 29.494 28.738 -0.180 0.000 1.051 352 Q HN 0.214 nan 8.270 nan 0.000 0.381 353 V N 4.319 124.237 119.914 0.007 0.000 3.306 353 V HA -0.128 3.992 4.120 0.000 0.000 0.264 353 V C 1.172 177.351 176.094 0.141 0.000 1.149 353 V CA 1.207 63.568 62.300 0.102 0.000 1.143 353 V CB 0.143 32.058 31.823 0.154 0.000 0.767 353 V HN 0.677 nan 8.190 nan 0.000 0.476 354 L N -1.134 120.088 121.223 -0.001 0.000 2.658 354 L HA 0.486 4.826 4.340 0.000 0.000 0.222 354 L C 0.680 177.434 176.870 -0.193 0.000 1.033 354 L CA 0.726 55.471 54.840 -0.158 0.000 0.949 354 L CB 0.056 41.935 42.059 -0.301 0.000 1.698 354 L HN 0.121 nan 8.230 nan 0.000 0.498 355 N N 1.307 119.919 118.700 -0.147 0.000 3.178 355 N HA 0.115 4.855 4.740 0.000 0.000 0.300 355 N C 0.537 175.968 175.510 -0.131 0.000 1.242 355 N CA 0.138 53.103 53.050 -0.141 0.000 1.192 355 N CB 0.409 38.839 38.487 -0.095 0.000 1.463 355 N HN 0.446 nan 8.380 nan 0.000 0.539 356 K N 0.388 120.690 120.400 -0.164 0.000 2.063 356 K HA 0.151 4.471 4.320 0.000 0.000 0.204 356 K C 1.062 177.619 176.600 -0.073 0.000 1.039 356 K CA 0.579 56.775 56.287 -0.152 0.000 0.957 356 K CB 0.396 32.796 32.500 -0.167 0.000 0.764 356 K HN 0.097 nan 8.250 nan 0.000 0.447 357 R N 0.691 121.130 120.500 -0.101 0.000 2.362 357 R HA 0.169 4.509 4.340 0.000 0.000 0.227 357 R C 0.529 176.699 176.300 -0.217 0.000 0.905 357 R CA 0.194 56.247 56.100 -0.079 0.000 1.067 357 R CB 0.658 30.866 30.300 -0.153 0.000 1.078 357 R HN 0.249 nan 8.270 nan 0.000 0.516 358 S N -1.541 114.041 115.700 -0.196 0.000 2.660 358 S HA 0.305 4.775 4.470 0.000 0.000 0.264 358 S C -0.811 173.711 174.600 -0.129 0.000 1.131 358 S CA -0.755 57.245 58.200 -0.334 0.000 0.846 358 S CB 1.045 64.037 63.200 -0.346 0.000 1.151 358 S HN -0.032 nan 8.310 nan 0.000 0.486 359 V N -0.576 119.274 119.914 -0.107 0.000 2.483 359 V HA 0.708 4.828 4.120 0.000 0.000 0.295 359 V C 0.089 176.173 176.094 -0.016 0.000 1.035 359 V CA -0.946 61.332 62.300 -0.037 0.000 0.896 359 V CB 1.254 33.087 31.823 0.018 0.000 0.986 359 V HN 0.921 nan 8.190 nan 0.000 0.447 360 M N 6.212 125.754 119.600 -0.097 0.000 2.238 360 M HA 0.394 4.874 4.480 0.000 0.000 0.347 360 M C -2.105 174.116 176.300 -0.131 0.000 1.173 360 M CA -1.609 53.588 55.300 -0.171 0.000 1.147 360 M CB 0.662 33.094 32.600 -0.280 0.000 1.547 360 M HN 0.602 nan 8.290 nan 0.000 0.455 361 P HA 0.469 nan 4.420 nan 0.000 0.281 361 P C -2.821 174.282 177.300 -0.329 0.000 1.281 361 P CA -1.650 61.071 63.100 -0.632 0.000 0.811 361 P CB -0.345 30.648 31.700 -1.177 0.000 1.154 362 P HA 0.144 nan 4.420 nan 0.000 0.274 362 P C 0.910 177.930 177.300 -0.465 0.000 1.237 362 P CA -0.174 62.592 63.100 -0.557 0.000 0.793 362 P CB 0.396 31.337 31.700 -1.266 0.000 0.977 363 K N 2.755 122.911 120.400 -0.406 0.000 2.077 363 K HA -0.253 4.067 4.320 0.000 0.000 0.213 363 K C 1.840 178.267 176.600 -0.289 0.000 1.051 363 K CA 2.308 58.288 56.287 -0.511 0.000 0.929 363 K CB -1.673 30.481 32.500 -0.576 0.000 0.715 363 K HN 0.567 nan 8.250 nan 0.000 0.451 364 Y N -0.773 119.357 120.300 -0.285 0.000 2.384 364 Y HA -0.040 4.510 4.550 0.000 0.000 0.289 364 Y C 1.687 177.532 175.900 -0.093 0.000 1.152 364 Y CA 0.758 58.697 58.100 -0.268 0.000 1.258 364 Y CB -1.279 36.935 38.460 -0.409 0.000 0.979 364 Y HN -0.099 nan 8.280 nan 0.000 0.549 365 V N 0.041 119.917 119.914 -0.064 0.000 3.241 365 V HA -0.214 3.907 4.120 0.000 0.000 0.269 365 V C 1.051 177.088 176.094 -0.096 0.000 1.151 365 V CA 1.295 63.525 62.300 -0.116 0.000 1.158 365 V CB -1.183 30.235 31.823 -0.676 0.000 0.764 365 V HN 0.367 nan 8.190 nan 0.000 0.508 366 F N 0.250 120.250 119.950 0.082 0.000 2.660 366 F HA 0.443 4.970 4.527 0.000 0.000 0.302 366 F C 1.543 177.368 175.800 0.041 0.000 1.103 366 F CA -0.143 57.897 58.000 0.067 0.000 1.340 366 F CB -0.211 38.755 39.000 -0.057 0.000 1.048 366 F HN 0.145 nan 8.300 nan 0.000 0.551 367 G N -0.521 108.419 108.800 0.233 0.000 2.557 367 G HA2 0.242 4.202 3.960 0.000 0.000 0.292 367 G HA3 0.242 4.202 3.960 0.000 0.000 0.292 367 G C -1.214 173.836 174.900 0.250 0.000 1.237 367 G CA -0.402 44.726 45.100 0.047 0.000 0.978 367 G HN 0.046 nan 8.290 nan 0.000 0.498 368 F N 0.632 120.652 119.950 0.117 0.000 2.424 368 F HA 0.652 5.179 4.527 0.000 0.000 0.356 368 F C -0.996 174.568 175.800 -0.394 0.000 1.110 368 F CA -1.878 56.065 58.000 -0.095 0.000 1.161 368 F CB 0.197 39.150 39.000 -0.078 0.000 1.115 368 F HN 0.164 nan 8.300 nan 0.000 0.507 369 F N 3.890 123.217 119.950 -1.039 0.000 2.492 369 F HA 0.444 4.971 4.527 0.000 0.000 0.327 369 F C -0.265 174.987 175.800 -0.912 0.000 1.079 369 F CA -1.039 56.411 58.000 -0.917 0.000 0.967 369 F CB 1.729 40.390 39.000 -0.566 0.000 1.169 369 F HN 0.335 nan 8.300 nan 0.000 0.472 370 Q N 1.339 121.032 119.800 -0.178 0.000 2.322 370 Q HA 0.649 4.989 4.340 0.000 0.000 0.265 370 Q C -0.652 175.424 176.000 0.127 0.000 0.985 370 Q CA -0.460 55.376 55.803 0.054 0.000 0.849 370 Q CB 1.955 30.890 28.738 0.327 0.000 1.274 370 Q HN 0.811 nan 8.270 nan 0.000 0.449 371 G N 1.195 110.075 108.800 0.133 0.000 2.453 371 G HA2 0.710 4.670 3.960 0.000 0.000 0.323 371 G HA3 0.710 4.670 3.960 0.000 0.000 0.323 371 G C -1.504 173.692 174.900 0.495 0.000 1.198 371 G CA -0.626 44.533 45.100 0.099 0.000 0.959 371 G HN 0.515 nan 8.290 nan 0.000 0.482 372 V N 1.791 121.968 119.914 0.438 0.000 2.624 372 V HA 0.221 4.341 4.120 0.000 0.000 0.294 372 V C -1.332 174.939 176.094 0.295 0.000 1.077 372 V CA -0.758 61.680 62.300 0.229 0.000 0.905 372 V CB 1.557 33.432 31.823 0.086 0.000 1.025 372 V HN 0.733 nan 8.190 nan 0.000 0.440 373 F N 4.436 124.452 119.950 0.109 0.000 2.439 373 F HA 0.659 5.186 4.527 0.000 0.000 0.356 373 F C 0.971 176.707 175.800 -0.106 0.000 1.161 373 F CA 0.253 58.291 58.000 0.064 0.000 1.151 373 F CB 0.587 39.697 39.000 0.182 0.000 1.222 373 F HN 0.779 nan 8.300 nan 0.000 0.558 374 G N 2.744 111.340 108.800 -0.340 0.000 2.398 374 G HA2 -0.015 3.945 3.960 0.000 0.000 0.221 374 G HA3 -0.015 3.945 3.960 0.000 0.000 0.221 374 G C -0.389 174.415 174.900 -0.160 0.000 1.112 374 G CA -0.327 44.539 45.100 -0.390 0.000 0.823 374 G HN 0.911 nan 8.290 nan 0.000 0.487 375 T N -1.933 112.599 114.554 -0.037 0.000 2.902 375 T HA 0.722 5.072 4.350 0.000 0.000 0.283 375 T C 1.159 175.896 174.700 0.061 0.000 1.009 375 T CA 0.274 62.393 62.100 0.031 0.000 1.051 375 T CB 1.954 70.901 68.868 0.133 0.000 0.999 375 T HN 0.887 nan 8.240 nan 0.000 0.474 376 S N 0.016 115.671 115.700 -0.076 0.000 2.603 376 S HA 0.455 4.925 4.470 0.000 0.000 0.232 376 S C 0.561 174.974 174.600 -0.312 0.000 1.016 376 S CA 0.023 58.167 58.200 -0.093 0.000 0.976 376 S CB -0.350 62.790 63.200 -0.100 0.000 0.921 376 S HN 1.406 nan 8.310 nan 0.000 0.516 377 S N -0.086 115.155 115.700 -0.765 0.000 2.643 377 S HA 0.481 4.952 4.470 0.000 0.000 0.266 377 S C 0.003 173.876 174.600 -1.212 0.000 1.130 377 S CA -0.539 57.021 58.200 -1.067 0.000 0.817 377 S CB 0.452 63.378 63.200 -0.457 0.000 1.107 377 S HN 0.169 nan 8.310 nan 0.000 0.471 378 L N 1.017 121.672 121.223 -0.948 0.000 1.993 378 L HA 0.503 4.843 4.340 0.000 0.000 0.206 378 L C 0.195 176.692 176.870 -0.623 0.000 1.074 378 L CA 1.581 55.997 54.840 -0.707 0.000 0.746 378 L CB -0.671 41.041 42.059 -0.578 0.000 0.896 378 L HN 0.714 nan 8.230 nan 0.000 0.435 379 L N -0.754 120.166 121.223 -0.505 0.000 2.334 379 L HA 0.396 4.736 4.340 0.000 0.000 0.272 379 L C 1.534 178.222 176.870 -0.303 0.000 1.020 379 L CA -0.726 53.858 54.840 -0.426 0.000 0.812 379 L CB 1.231 43.054 42.059 -0.393 0.000 1.264 379 L HN 0.005 nan 8.230 nan 0.000 0.439 380 R N 1.352 121.713 120.500 -0.231 0.000 2.185 380 R HA -0.188 4.152 4.340 0.000 0.000 0.247 380 R C 1.689 177.866 176.300 -0.205 0.000 1.159 380 R CA 1.575 57.569 56.100 -0.177 0.000 0.988 380 R CB -0.341 29.886 30.300 -0.123 0.000 0.871 380 R HN 0.819 nan 8.270 nan 0.000 0.458 381 A N 0.007 122.646 122.820 -0.302 0.000 2.238 381 A HA -0.042 4.278 4.320 0.000 0.000 0.208 381 A C 0.593 177.838 177.584 -0.565 0.000 1.177 381 A CA 0.686 52.473 52.037 -0.418 0.000 0.804 381 A CB 0.067 18.773 19.000 -0.490 0.000 0.823 381 A HN 0.280 nan 8.150 nan 0.000 0.482 382 H N -1.948 117.044 119.070 -0.130 0.000 2.885 382 H HA 0.262 4.818 4.556 0.000 0.000 0.254 382 H C -0.051 175.193 175.328 -0.141 0.000 1.185 382 H CA -0.419 55.556 56.048 -0.121 0.000 1.029 382 H CB -0.191 29.499 29.762 -0.120 0.000 1.743 382 H HN 0.390 nan 8.280 nan 0.000 0.632 383 M N 4.087 123.639 119.600 -0.081 0.000 2.217 383 M HA 0.145 4.625 4.480 0.000 0.000 0.352 383 M C -2.033 174.229 176.300 -0.064 0.000 1.376 383 M CA -1.178 54.059 55.300 -0.105 0.000 1.107 383 M CB 0.720 33.246 32.600 -0.125 0.000 1.723 383 M HN -0.055 nan 8.290 nan 0.000 0.461 384 P HA 0.163 nan 4.420 nan 0.000 0.269 384 P C -1.240 176.033 177.300 -0.044 0.000 1.215 384 P CA -0.350 62.723 63.100 -0.044 0.000 0.780 384 P CB 0.382 32.054 31.700 -0.048 0.000 0.898 385 A N 1.333 124.134 122.820 -0.033 0.000 2.388 385 A HA 0.626 4.946 4.320 0.000 0.000 0.257 385 A C 0.587 178.155 177.584 -0.026 0.000 1.095 385 A CA 0.473 52.495 52.037 -0.026 0.000 0.791 385 A CB -0.329 18.660 19.000 -0.018 0.000 1.029 385 A HN 0.818 nan 8.150 nan 0.000 0.489 386 G N 0.628 109.418 108.800 -0.016 0.000 2.442 386 G HA2 0.431 4.391 3.960 0.000 0.000 0.296 386 G HA3 0.431 4.391 3.960 0.000 0.000 0.296 386 G C -1.065 173.850 174.900 0.026 0.000 1.564 386 G CA -0.703 44.390 45.100 -0.012 0.000 0.828 386 G HN 0.895 nan 8.290 nan 0.000 0.571 387 E N 0.644 120.889 120.200 0.076 0.000 2.417 387 E HA 0.147 4.497 4.350 0.000 0.000 0.261 387 E C 0.919 177.649 176.600 0.216 0.000 1.000 387 E CA 0.228 56.732 56.400 0.174 0.000 0.919 387 E CB 0.210 30.106 29.700 0.326 0.000 0.955 387 E HN 0.572 nan 8.360 nan 0.000 0.455 388 N N 3.168 121.963 118.700 0.158 0.000 2.678 388 N HA -0.239 4.501 4.740 0.000 0.000 0.249 388 N C -1.232 174.334 175.510 0.093 0.000 1.119 388 N CA 0.805 53.942 53.050 0.145 0.000 0.718 388 N CB -1.229 37.395 38.487 0.229 0.000 1.060 388 N HN 0.493 nan 8.380 nan 0.000 0.552 389 N N 0.315 119.037 118.700 0.036 0.000 2.416 389 N HA 0.426 5.166 4.740 0.000 0.000 0.246 389 N C 0.202 175.705 175.510 -0.011 0.000 1.260 389 N CA 0.263 53.304 53.050 -0.014 0.000 0.897 389 N CB 0.588 39.049 38.487 -0.044 0.000 1.110 389 N HN 0.473 nan 8.380 nan 0.000 0.439 390 I N -0.706 119.846 120.570 -0.029 0.000 2.894 390 I HA 0.352 4.522 4.170 0.000 0.000 0.302 390 I C -0.841 175.235 176.117 -0.068 0.000 1.188 390 I CA -0.610 60.675 61.300 -0.025 0.000 1.014 390 I CB 1.576 39.591 38.000 0.024 0.000 1.242 390 I HN 0.617 nan 8.210 nan 0.000 0.430 391 S N 4.574 120.223 115.700 -0.086 0.000 2.509 391 S HA 0.357 4.827 4.470 0.000 0.000 0.297 391 S C 0.890 175.427 174.600 -0.106 0.000 1.118 391 S CA -0.694 57.410 58.200 -0.159 0.000 1.074 391 S CB 1.922 65.005 63.200 -0.195 0.000 1.038 391 S HN 0.519 nan 8.310 nan 0.000 0.498 392 V N 2.261 122.088 119.914 -0.146 0.000 2.277 392 V HA -0.288 3.832 4.120 0.000 0.000 0.253 392 V C 2.807 178.917 176.094 0.026 0.000 1.067 392 V CA 2.735 65.016 62.300 -0.030 0.000 1.047 392 V CB -1.107 30.667 31.823 -0.082 0.000 0.649 392 V HN 1.119 nan 8.190 nan 0.000 0.447 393 E N -0.209 119.927 120.200 -0.107 0.000 2.130 393 E HA -0.322 4.028 4.350 0.000 0.000 0.196 393 E C 2.231 178.886 176.600 0.091 0.000 0.998 393 E CA 1.934 58.366 56.400 0.052 0.000 0.806 393 E CB -0.264 29.366 29.700 -0.117 0.000 0.738 393 E HN 0.766 nan 8.360 nan 0.000 0.459 394 E N 0.086 120.291 120.200 0.008 0.000 2.208 394 E HA -0.145 4.205 4.350 0.000 0.000 0.193 394 E C 2.047 178.621 176.600 -0.043 0.000 0.988 394 E CA 0.780 57.170 56.400 -0.017 0.000 0.828 394 E CB -0.034 29.661 29.700 -0.009 0.000 0.763 394 E HN 0.421 nan 8.360 nan 0.000 0.478 395 I N 0.481 121.077 120.570 0.042 0.000 2.163 395 I HA -0.245 3.925 4.170 0.000 0.000 0.240 395 I C 2.401 178.456 176.117 -0.104 0.000 1.081 395 I CA 0.694 62.026 61.300 0.054 0.000 1.353 395 I CB -0.258 37.865 38.000 0.205 0.000 1.054 395 I HN -0.002 nan 8.210 nan 0.000 0.407 396 V N 0.775 120.751 119.914 0.102 0.000 2.380 396 V HA -0.303 3.817 4.120 0.000 0.000 0.251 396 V C 2.343 178.428 176.094 -0.016 0.000 1.063 396 V CA 2.019 64.416 62.300 0.162 0.000 1.055 396 V CB -0.785 31.244 31.823 0.343 0.000 0.657 396 V HN 0.452 nan 8.190 nan 0.000 0.455 397 E N 0.189 120.336 120.200 -0.088 0.000 2.072 397 E HA -0.077 4.273 4.350 0.000 0.000 0.190 397 E C 2.385 178.764 176.600 -0.368 0.000 0.982 397 E CA 0.995 57.308 56.400 -0.145 0.000 0.803 397 E CB -0.534 29.107 29.700 -0.099 0.000 0.755 397 E HN 0.635 nan 8.360 nan 0.000 0.453 398 G N 0.651 108.966 108.800 -0.808 0.000 2.491 398 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 398 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 398 G C 1.106 175.389 174.900 -1.029 0.000 1.180 398 G CA 1.111 45.258 45.100 -1.588 0.000 0.774 398 G HN 0.173 nan 8.290 nan 0.000 0.562 399 Y N 0.868 120.707 120.300 -0.769 0.000 2.092 399 Y HA -0.095 4.455 4.550 0.000 0.000 0.282 399 Y C 3.313 179.210 175.900 -0.006 0.000 1.126 399 Y CA 1.715 59.626 58.100 -0.315 0.000 1.111 399 Y CB -0.816 37.274 38.460 -0.617 0.000 0.987 399 Y HN 0.261 nan 8.280 nan 0.000 0.489 400 Q N -0.282 119.591 119.800 0.122 0.000 2.096 400 Q HA -0.199 4.141 4.340 0.000 0.000 0.204 400 Q C 1.745 177.779 176.000 0.055 0.000 0.982 400 Q CA 1.379 57.247 55.803 0.110 0.000 0.850 400 Q CB -0.368 28.414 28.738 0.073 0.000 0.901 400 Q HN 0.451 nan 8.270 nan 0.000 0.422 401 N N 0.637 119.334 118.700 -0.005 0.000 2.519 401 N HA -0.073 4.667 4.740 0.000 0.000 0.186 401 N C 0.684 176.200 175.510 0.010 0.000 1.062 401 N CA 0.744 53.783 53.050 -0.017 0.000 0.910 401 N CB 0.007 38.458 38.487 -0.060 0.000 0.958 401 N HN 0.290 nan 8.380 nan 0.000 0.445 402 N N 0.309 119.051 118.700 0.070 0.000 2.177 402 N HA -0.014 4.726 4.740 0.000 0.000 0.218 402 N C -0.431 175.085 175.510 0.010 0.000 1.182 402 N CA -0.049 53.055 53.050 0.090 0.000 0.882 402 N CB 0.352 38.985 38.487 0.243 0.000 1.052 402 N HN 0.115 nan 8.380 nan 0.000 0.519 403 N N 0.531 119.267 118.700 0.061 0.000 2.738 403 N HA -0.220 4.520 4.740 0.000 0.000 0.249 403 N C -1.341 174.145 175.510 -0.040 0.000 1.047 403 N CA 0.220 53.279 53.050 0.015 0.000 0.707 403 N CB -1.934 36.531 38.487 -0.038 0.000 0.937 403 N HN 0.080 nan 8.380 nan 0.000 0.545 404 F N 0.204 120.210 119.950 0.093 0.000 2.443 404 F HA 0.350 4.877 4.527 0.000 0.000 0.353 404 F C -1.354 174.467 175.800 0.036 0.000 1.101 404 F CA -1.778 56.279 58.000 0.096 0.000 1.226 404 F CB 0.713 39.869 39.000 0.260 0.000 1.140 404 F HN 0.075 nan 8.300 nan 0.000 0.557 405 P HA 0.014 nan 4.420 nan 0.000 0.269 405 P C -1.017 176.294 177.300 0.019 0.000 1.252 405 P CA 0.357 63.336 63.100 -0.202 0.000 0.780 405 P CB -0.009 31.205 31.700 -0.811 0.000 0.829 406 F N 3.269 123.176 119.950 -0.071 0.000 2.536 406 F HA 0.321 4.848 4.527 0.000 0.000 0.322 406 F C 1.058 176.771 175.800 -0.144 0.000 1.144 406 F CA -1.017 56.922 58.000 -0.102 0.000 0.924 406 F CB 2.162 41.064 39.000 -0.163 0.000 1.181 406 F HN 0.111 nan 8.300 nan 0.000 0.438 407 E N 3.121 122.796 120.200 -0.875 0.000 2.190 407 E HA 0.422 4.772 4.350 0.000 0.000 0.191 407 E C 0.736 176.681 176.600 -1.093 0.000 0.978 407 E CA 1.226 57.089 56.400 -0.895 0.000 0.839 407 E CB 0.165 29.132 29.700 -1.222 0.000 0.787 407 E HN 0.950 nan 8.360 nan 0.000 0.473 408 G N -1.376 106.450 108.800 -1.622 0.000 2.350 408 G HA2 0.188 4.148 3.960 0.000 0.000 0.282 408 G HA3 0.188 4.148 3.960 0.000 0.000 0.282 408 G C -1.716 172.857 174.900 -0.545 0.000 1.314 408 G CA -0.584 43.981 45.100 -0.892 0.000 0.915 408 G HN 0.063 nan 8.290 nan 0.000 0.499 409 L N 0.214 121.429 121.223 -0.013 0.000 2.354 409 L HA 0.794 5.134 4.340 0.000 0.000 0.269 409 L C 0.521 177.480 176.870 0.148 0.000 1.005 409 L CA -0.765 54.165 54.840 0.150 0.000 0.819 409 L CB 2.331 44.527 42.059 0.228 0.000 1.311 409 L HN 1.084 nan 8.230 nan 0.000 0.423 410 A N 2.751 125.591 122.820 0.034 0.000 2.540 410 A HA 0.572 4.892 4.320 0.000 0.000 0.340 410 A C -0.491 177.170 177.584 0.129 0.000 1.424 410 A CA -0.485 51.470 52.037 -0.138 0.000 0.940 410 A CB 0.009 18.571 19.000 -0.730 0.000 1.149 410 A HN 0.371 nan 8.150 nan 0.000 0.505 411 V N 3.218 123.282 119.914 0.249 0.000 2.521 411 V HA 0.042 4.163 4.120 0.000 0.000 0.286 411 V C 0.659 176.923 176.094 0.283 0.000 1.034 411 V CA -0.099 62.351 62.300 0.250 0.000 1.045 411 V CB 0.550 32.492 31.823 0.199 0.000 0.974 411 V HN 0.833 nan 8.190 nan 0.000 0.480 412 D N 2.610 123.146 120.400 0.228 0.000 2.478 412 D HA 0.181 4.821 4.640 0.000 0.000 0.269 412 D C 1.279 177.496 176.300 -0.137 0.000 1.232 412 D CA -0.190 53.853 54.000 0.072 0.000 1.059 412 D CB 1.853 42.836 40.800 0.305 0.000 1.104 412 D HN 0.366 nan 8.370 nan 0.000 0.566 413 V N -1.016 118.751 119.914 -0.245 0.000 3.140 413 V HA -0.147 3.973 4.120 0.000 0.000 0.269 413 V C 1.266 177.235 176.094 -0.209 0.000 1.149 413 V CA 1.246 63.380 62.300 -0.277 0.000 1.162 413 V CB -0.521 31.061 31.823 -0.401 0.000 0.756 413 V HN 0.346 nan 8.190 nan 0.000 0.523 414 D N 1.730 122.050 120.400 -0.134 0.000 2.178 414 D HA -0.183 4.457 4.640 0.000 0.000 0.201 414 D C 2.065 178.104 176.300 -0.436 0.000 0.980 414 D CA 2.185 56.094 54.000 -0.152 0.000 0.842 414 D CB -0.071 40.734 40.800 0.009 0.000 0.948 414 D HN 0.759 nan 8.370 nan 0.000 0.472 415 M N -0.391 118.665 119.600 -0.906 0.000 2.595 415 M HA 0.097 4.577 4.480 0.000 0.000 0.248 415 M C 0.719 176.667 176.300 -0.587 0.000 1.119 415 M CA 0.291 54.687 55.300 -1.508 0.000 1.079 415 M CB 0.235 31.866 32.600 -1.616 0.000 1.472 415 M HN -0.300 nan 8.290 nan 0.000 0.501 416 Q N 2.071 121.648 119.800 -0.371 0.000 2.454 416 Q HA 0.052 4.392 4.340 0.000 0.000 0.247 416 Q C -0.610 175.286 176.000 -0.174 0.000 1.028 416 Q CA -0.076 55.587 55.803 -0.233 0.000 0.910 416 Q CB 0.653 29.257 28.738 -0.223 0.000 1.276 416 Q HN 0.225 nan 8.270 nan 0.000 0.489 417 D N 1.692 122.006 120.400 -0.144 0.000 2.336 417 D HA -0.047 4.593 4.640 0.000 0.000 0.249 417 D C -0.482 175.726 176.300 -0.153 0.000 1.213 417 D CA 0.225 54.152 54.000 -0.122 0.000 0.870 417 D CB -0.031 40.704 40.800 -0.109 0.000 1.076 417 D HN 0.547 nan 8.370 nan 0.000 0.483 418 N N 4.951 123.581 118.700 -0.118 0.000 2.777 418 N HA -0.230 4.510 4.740 0.000 0.000 0.290 418 N C 0.292 175.716 175.510 -0.143 0.000 1.040 418 N CA 0.342 53.324 53.050 -0.112 0.000 0.819 418 N CB -0.358 38.075 38.487 -0.090 0.000 0.952 418 N HN 0.639 nan 8.380 nan 0.000 0.584 419 L N -2.465 118.670 121.223 -0.146 0.000 4.884 419 L HA -0.313 4.027 4.340 0.000 0.000 0.430 419 L C 0.103 176.865 176.870 -0.181 0.000 1.087 419 L CA 1.117 55.873 54.840 -0.139 0.000 1.033 419 L CB -1.352 40.665 42.059 -0.069 0.000 2.030 419 L HN 0.482 nan 8.230 nan 0.000 0.762 420 R N 0.785 121.123 120.500 -0.270 0.000 2.248 420 R HA 0.451 4.791 4.340 0.000 0.000 0.328 420 R C 0.286 176.445 176.300 -0.236 0.000 1.067 420 R CA -0.308 55.548 56.100 -0.406 0.000 0.924 420 R CB 1.689 31.475 30.300 -0.857 0.000 1.013 420 R HN 0.049 nan 8.270 nan 0.000 0.454 421 V N 4.685 124.514 119.914 -0.141 0.000 3.096 421 V HA -0.036 4.084 4.120 0.000 0.000 0.306 421 V C 0.495 176.455 176.094 -0.223 0.000 1.088 421 V CA 0.663 62.782 62.300 -0.301 0.000 1.129 421 V CB -0.202 31.359 31.823 -0.437 0.000 1.014 421 V HN 0.924 nan 8.190 nan 0.000 0.486 422 F N 1.147 120.997 119.950 -0.166 0.000 2.666 422 F HA -0.200 4.327 4.527 0.000 0.000 0.458 422 F C 0.911 176.651 175.800 -0.100 0.000 0.561 422 F CA 1.360 59.229 58.000 -0.218 0.000 1.129 422 F CB -2.620 36.207 39.000 -0.289 0.000 1.751 422 F HN 0.809 nan 8.300 nan 0.000 0.275 423 T N -1.773 112.831 114.554 0.083 0.000 2.952 423 T HA 0.732 5.082 4.350 0.000 0.000 0.286 423 T C 0.175 174.884 174.700 0.016 0.000 1.024 423 T CA 0.081 62.219 62.100 0.064 0.000 1.029 423 T CB 2.759 71.645 68.868 0.029 0.000 1.094 423 T HN 0.464 nan 8.240 nan 0.000 0.515 424 T N -1.395 113.197 114.554 0.064 0.000 2.926 424 T HA 0.717 5.067 4.350 0.000 0.000 0.289 424 T C -0.874 173.867 174.700 0.069 0.000 1.054 424 T CA -1.082 61.060 62.100 0.069 0.000 1.015 424 T CB 1.705 70.710 68.868 0.229 0.000 1.167 424 T HN 1.078 nan 8.240 nan 0.000 0.526 425 K N -0.107 120.344 120.400 0.085 0.000 2.328 425 K HA 0.653 4.973 4.320 0.000 0.000 0.246 425 K C 1.274 178.000 176.600 0.210 0.000 0.955 425 K CA -0.868 55.472 56.287 0.088 0.000 0.817 425 K CB 1.428 33.953 32.500 0.042 0.000 1.208 425 K HN 0.695 nan 8.250 nan 0.000 0.432 426 G N 1.555 110.400 108.800 0.073 0.000 2.499 426 G HA2 -0.261 3.699 3.960 0.000 0.000 0.221 426 G HA3 -0.261 3.699 3.960 0.000 0.000 0.221 426 G C 0.864 175.843 174.900 0.132 0.000 1.109 426 G CA 0.820 45.947 45.100 0.045 0.000 0.749 426 G HN 0.819 nan 8.290 nan 0.000 0.568 427 E N -0.266 120.014 120.200 0.133 0.000 2.153 427 E HA -0.022 4.328 4.350 0.000 0.000 0.194 427 E C 1.134 177.726 176.600 -0.014 0.000 0.988 427 E CA 0.539 56.959 56.400 0.035 0.000 0.811 427 E CB -0.245 29.452 29.700 -0.006 0.000 0.746 427 E HN 0.573 nan 8.360 nan 0.000 0.466 428 F N -0.984 118.985 119.950 0.031 0.000 2.701 428 F HA 0.190 4.717 4.527 0.000 0.000 0.295 428 F C -0.367 175.327 175.800 -0.177 0.000 1.165 428 F CA -0.279 57.657 58.000 -0.108 0.000 1.399 428 F CB 0.131 39.030 39.000 -0.169 0.000 0.996 428 F HN -0.094 nan 8.300 nan 0.000 0.513 429 W N -0.191 121.076 121.300 -0.055 0.000 2.883 429 W HA 0.233 4.893 4.660 0.000 0.000 0.335 429 W C 1.499 177.975 176.519 -0.071 0.000 1.083 429 W CA -0.864 56.446 57.345 -0.058 0.000 1.233 429 W CB 1.321 30.762 29.460 -0.032 0.000 1.412 429 W HN -0.072 nan 8.180 nan 0.000 0.490 430 T N -0.937 113.696 114.554 0.131 0.000 2.721 430 T HA -0.256 4.094 4.350 0.000 0.000 0.268 430 T C 1.349 176.160 174.700 0.184 0.000 1.038 430 T CA 1.872 64.026 62.100 0.090 0.000 1.145 430 T CB -0.186 68.759 68.868 0.128 0.000 0.858 430 T HN 0.464 nan 8.240 nan 0.000 0.459 431 A N 0.677 123.611 122.820 0.189 0.000 2.387 431 A HA 0.402 4.722 4.320 0.000 0.000 0.234 431 A C 1.053 178.591 177.584 -0.075 0.000 1.253 431 A CA 0.252 52.347 52.037 0.097 0.000 0.894 431 A CB -0.574 18.479 19.000 0.089 0.000 0.963 431 A HN 0.503 nan 8.150 nan 0.000 0.508 432 N N -0.078 118.547 118.700 -0.126 0.000 2.735 432 N HA -0.181 4.559 4.740 0.000 0.000 0.248 432 N C -0.262 175.134 175.510 -0.190 0.000 1.083 432 N CA 1.509 54.379 53.050 -0.301 0.000 0.703 432 N CB -1.169 36.796 38.487 -0.871 0.000 1.005 432 N HN 0.914 nan 8.380 nan 0.000 0.550 433 R N -3.051 117.358 120.500 -0.152 0.000 2.634 433 R HA 0.510 4.850 4.340 0.000 0.000 0.263 433 R C -0.936 175.035 176.300 -0.549 0.000 1.060 433 R CA -0.982 54.966 56.100 -0.253 0.000 0.898 433 R CB 0.615 30.791 30.300 -0.205 0.000 1.253 433 R HN -0.154 nan 8.270 nan 0.000 0.461 434 V N 2.573 122.110 119.914 -0.630 0.000 2.421 434 V HA 0.329 4.449 4.120 0.000 0.000 0.271 434 V C 0.967 176.454 176.094 -1.013 0.000 1.031 434 V CA 0.650 62.331 62.300 -1.032 0.000 1.032 434 V CB 0.315 31.853 31.823 -0.474 0.000 1.009 434 V HN 0.865 nan 8.190 nan 0.000 0.477 435 G N 3.185 110.925 108.800 -1.766 0.000 2.535 435 G HA2 0.473 4.433 3.960 0.000 0.000 0.303 435 G HA3 0.473 4.433 3.960 0.000 0.000 0.303 435 G C 0.728 175.401 174.900 -0.379 0.000 1.237 435 G CA 0.249 44.824 45.100 -0.875 0.000 0.986 435 G HN 0.737 nan 8.290 nan 0.000 0.494 436 T N -3.123 111.407 114.554 -0.039 0.000 3.176 436 T HA 0.489 4.839 4.350 0.000 0.000 0.263 436 T C 1.001 175.840 174.700 0.231 0.000 1.021 436 T CA 0.810 62.970 62.100 0.100 0.000 0.905 436 T CB -0.593 68.303 68.868 0.047 0.000 1.057 436 T HN 2.270 nan 8.240 nan 0.000 0.558 437 G N -0.350 108.692 108.800 0.403 0.000 2.731 437 G HA2 0.348 4.309 3.960 0.000 0.000 0.686 437 G HA3 0.348 4.309 3.960 0.000 0.000 0.686 437 G C 0.691 175.736 174.900 0.241 0.000 1.395 437 G CA -0.109 45.215 45.100 0.373 0.000 0.870 437 G HN 1.695 nan 8.290 nan 0.000 0.591 438 G N -0.176 108.754 108.800 0.217 0.000 2.176 438 G HA2 -0.132 3.828 3.960 0.000 0.000 0.253 438 G HA3 -0.132 3.828 3.960 0.000 0.000 0.253 438 G C 0.285 175.271 174.900 0.145 0.000 0.979 438 G CA 1.260 46.455 45.100 0.158 0.000 0.641 438 G HN 1.659 nan 8.290 nan 0.000 0.530 439 D N 0.834 121.342 120.400 0.179 0.000 2.316 439 D HA 0.482 5.122 4.640 0.000 0.000 0.245 439 D C -0.487 175.908 176.300 0.159 0.000 1.171 439 D CA -2.015 52.077 54.000 0.153 0.000 0.856 439 D CB 1.447 42.340 40.800 0.155 0.000 1.090 439 D HN 0.107 nan 8.370 nan 0.000 0.476 440 P HA -0.050 nan 4.420 nan 0.000 0.218 440 P C 0.618 177.991 177.300 0.121 0.000 1.149 440 P CA 0.725 63.893 63.100 0.112 0.000 0.817 440 P CB 0.384 32.134 31.700 0.083 0.000 0.785 441 N N -1.100 117.668 118.700 0.115 0.000 2.398 441 N HA -0.000 4.740 4.740 0.000 0.000 0.188 441 N C 0.099 175.694 175.510 0.141 0.000 1.122 441 N CA 0.504 53.621 53.050 0.111 0.000 0.866 441 N CB -0.305 38.231 38.487 0.081 0.000 0.970 441 N HN 0.130 nan 8.380 nan 0.000 0.462 442 N N 0.741 119.557 118.700 0.194 0.000 2.685 442 N HA 0.148 4.888 4.740 0.000 0.000 0.252 442 N C -1.412 174.382 175.510 0.473 0.000 1.261 442 N CA -0.282 52.938 53.050 0.284 0.000 0.768 442 N CB 0.585 39.198 38.487 0.211 0.000 1.304 442 N HN -0.148 nan 8.380 nan 0.000 0.536 443 R N 0.875 121.575 120.500 0.334 0.000 2.368 443 R HA 0.413 4.753 4.340 0.000 0.000 0.302 443 R C 0.541 176.668 176.300 -0.290 0.000 1.002 443 R CA -0.607 55.579 56.100 0.144 0.000 0.929 443 R CB 1.082 31.479 30.300 0.161 0.000 1.073 443 R HN 0.654 nan 8.270 nan 0.000 0.464 444 S N 1.189 116.290 115.700 -0.998 0.000 2.587 444 S HA -0.045 4.425 4.470 0.000 0.000 0.260 444 S C 1.352 175.503 174.600 -0.747 0.000 1.353 444 S CA -0.581 56.615 58.200 -1.672 0.000 0.995 444 S CB 1.193 63.633 63.200 -1.267 0.000 0.912 444 S HN 0.461 nan 8.310 nan 0.000 0.568 445 V N 1.362 120.790 119.914 -0.809 0.000 2.469 445 V HA -0.099 4.021 4.120 0.000 0.000 0.251 445 V C 1.746 177.665 176.094 -0.291 0.000 1.064 445 V CA 1.978 63.978 62.300 -0.500 0.000 1.066 445 V CB -1.162 30.329 31.823 -0.554 0.000 0.667 445 V HN 0.818 nan 8.190 nan 0.000 0.461 446 F N 0.940 120.792 119.950 -0.163 0.000 2.259 446 F HA 0.037 4.564 4.527 0.000 0.000 0.298 446 F C 2.453 178.034 175.800 -0.365 0.000 1.088 446 F CA 1.312 59.173 58.000 -0.231 0.000 1.358 446 F CB -0.759 38.115 39.000 -0.210 0.000 1.040 446 F HN 0.296 nan 8.300 nan 0.000 0.505 447 E N -1.139 119.040 120.200 -0.034 0.000 2.076 447 E HA -0.215 4.135 4.350 0.000 0.000 0.190 447 E C 1.968 178.644 176.600 0.126 0.000 0.979 447 E CA 1.001 57.446 56.400 0.075 0.000 0.807 447 E CB -0.678 29.083 29.700 0.102 0.000 0.761 447 E HN 0.508 nan 8.360 nan 0.000 0.454 448 W N 2.344 123.597 121.300 -0.078 0.000 2.338 448 W HA -0.234 4.426 4.660 0.000 0.000 0.304 448 W C 2.428 178.944 176.519 -0.005 0.000 1.212 448 W CA 2.438 59.759 57.345 -0.040 0.000 1.264 448 W CB -0.230 29.178 29.460 -0.085 0.000 1.142 448 W HN 0.050 nan 8.180 nan 0.000 0.512 449 A N -0.853 122.047 122.820 0.132 0.000 1.873 449 A HA -0.208 4.112 4.320 0.000 0.000 0.215 449 A C 1.656 179.236 177.584 -0.008 0.000 1.186 449 A CA 1.884 53.936 52.037 0.025 0.000 0.616 449 A CB -1.476 17.606 19.000 0.137 0.000 0.823 449 A HN 0.570 nan 8.150 nan 0.000 0.442 450 H N -0.369 118.738 119.070 0.061 0.000 2.400 450 H HA -0.178 4.378 4.556 0.000 0.000 0.295 450 H C 1.211 176.525 175.328 -0.023 0.000 1.118 450 H CA 1.237 57.314 56.048 0.048 0.000 1.256 450 H CB 0.072 29.886 29.762 0.085 0.000 1.365 450 H HN 0.424 nan 8.280 nan 0.000 0.502 451 D N -0.092 120.329 120.400 0.036 0.000 2.277 451 D HA -0.056 4.584 4.640 0.000 0.000 0.208 451 D C 1.458 177.654 176.300 -0.174 0.000 0.962 451 D CA 0.689 54.647 54.000 -0.070 0.000 0.865 451 D CB 0.120 40.857 40.800 -0.105 0.000 0.939 451 D HN 0.299 nan 8.370 nan 0.000 0.510 452 K N -0.127 120.110 120.400 -0.272 0.000 2.404 452 K HA 0.178 4.498 4.320 0.000 0.000 0.194 452 K C 1.018 177.557 176.600 -0.101 0.000 1.023 452 K CA 0.287 56.417 56.287 -0.261 0.000 1.094 452 K CB 0.876 33.113 32.500 -0.440 0.000 0.841 452 K HN 0.104 nan 8.250 nan 0.000 0.523 453 G N 1.766 110.542 108.800 -0.040 0.000 2.149 453 G HA2 -0.241 3.719 3.960 0.000 0.000 0.235 453 G HA3 -0.241 3.719 3.960 0.000 0.000 0.235 453 G C -0.020 174.882 174.900 0.004 0.000 1.018 453 G CA 0.047 45.160 45.100 0.020 0.000 0.728 453 G HN 0.197 nan 8.290 nan 0.000 0.508 454 L N -0.861 120.352 121.223 -0.016 0.000 2.331 454 L HA 0.899 5.239 4.340 0.000 0.000 0.268 454 L C 0.733 177.578 176.870 -0.042 0.000 1.015 454 L CA -1.491 53.290 54.840 -0.098 0.000 0.807 454 L CB 1.874 43.864 42.059 -0.116 0.000 1.293 454 L HN 0.184 nan 8.230 nan 0.000 0.451 455 V N -2.577 117.239 119.914 -0.164 0.000 3.040 455 V HA 0.707 4.827 4.120 0.000 0.000 0.312 455 V C -0.783 175.322 176.094 0.018 0.000 1.115 455 V CA -0.813 61.402 62.300 -0.142 0.000 0.998 455 V CB 1.732 33.220 31.823 -0.559 0.000 1.042 455 V HN 0.860 nan 8.190 nan 0.000 0.433 456 C N 2.047 121.410 119.300 0.105 0.000 2.898 456 C HA 0.768 5.228 4.460 0.000 0.000 0.304 456 C C -0.319 174.617 174.990 -0.090 0.000 1.237 456 C CA -0.622 58.490 59.018 0.157 0.000 1.529 456 C CB 1.845 29.733 27.740 0.245 0.000 2.021 456 C HN 1.111 nan 8.230 nan 0.000 0.474 457 Q N 0.580 120.099 119.800 -0.468 0.000 2.257 457 Q HA 0.778 5.118 4.340 0.000 0.000 0.262 457 Q C -0.929 174.957 176.000 -0.190 0.000 0.997 457 Q CA -0.224 55.063 55.803 -0.859 0.000 0.873 457 Q CB 1.925 29.715 28.738 -1.581 0.000 1.312 457 Q HN 0.631 nan 8.270 nan 0.000 0.450 458 T N 1.127 115.643 114.554 -0.064 0.000 2.893 458 T HA 0.233 4.583 4.350 0.000 0.000 0.293 458 T C -0.701 174.013 174.700 0.025 0.000 1.027 458 T CA -0.742 61.429 62.100 0.119 0.000 0.988 458 T CB 1.239 70.195 68.868 0.146 0.000 1.043 458 T HN 0.679 nan 8.240 nan 0.000 0.461 459 N N 3.943 122.518 118.700 -0.210 0.000 2.412 459 N HA 0.082 4.822 4.740 0.000 0.000 0.258 459 N C -0.922 174.334 175.510 -0.423 0.000 1.236 459 N CA 0.351 52.958 53.050 -0.738 0.000 0.882 459 N CB 0.154 37.952 38.487 -1.150 0.000 1.066 459 N HN 0.470 nan 8.380 nan 0.000 0.465 460 I N 3.182 123.558 120.570 -0.323 0.000 2.560 460 I HA 0.029 4.199 4.170 0.000 0.000 0.278 460 I C 0.695 176.801 176.117 -0.018 0.000 1.089 460 I CA -0.461 60.716 61.300 -0.205 0.000 1.086 460 I CB 0.673 38.609 38.000 -0.106 0.000 1.202 460 I HN 0.467 nan 8.210 nan 0.000 0.471 461 T N 0.934 115.474 114.554 -0.023 0.000 2.816 461 T HA 0.165 4.515 4.350 0.000 0.000 0.282 461 T C 1.171 176.080 174.700 0.348 0.000 0.993 461 T CA -0.473 61.734 62.100 0.178 0.000 0.994 461 T CB 1.403 70.355 68.868 0.139 0.000 1.025 461 T HN 0.714 nan 8.240 nan 0.000 0.529 462 C N 0.100 119.641 119.300 0.401 0.000 2.525 462 C HA 0.519 4.979 4.460 0.000 0.000 0.313 462 C C 0.249 175.330 174.990 0.152 0.000 1.311 462 C CA -1.358 57.808 59.018 0.247 0.000 1.725 462 C CB -2.484 25.282 27.740 0.043 0.000 1.926 462 C HN 0.646 nan 8.230 nan 0.000 0.595 463 F N 2.377 122.297 119.950 -0.049 0.000 2.444 463 F HA 0.462 4.989 4.527 0.000 0.000 0.360 463 F C 0.363 176.066 175.800 -0.162 0.000 1.106 463 F CA -0.596 57.219 58.000 -0.308 0.000 1.170 463 F CB 0.753 39.622 39.000 -0.219 0.000 1.113 463 F HN -0.019 nan 8.300 nan 0.000 0.521 464 L N 4.978 126.152 121.223 -0.082 0.000 2.283 464 L HA 0.328 4.668 4.340 0.000 0.000 0.281 464 L C 0.385 177.345 176.870 0.151 0.000 1.033 464 L CA -0.522 54.411 54.840 0.155 0.000 0.848 464 L CB 0.684 42.855 42.059 0.185 0.000 1.226 464 L HN 0.622 nan 8.230 nan 0.000 0.429 465 R N 1.811 122.442 120.500 0.218 0.000 2.523 465 R HA -0.153 4.187 4.340 0.000 0.000 0.281 465 R C 0.898 177.279 176.300 0.136 0.000 0.969 465 R CA 0.590 56.744 56.100 0.089 0.000 1.093 465 R CB 0.501 30.773 30.300 -0.047 0.000 0.917 465 R HN 0.632 nan 8.270 nan 0.000 0.408 466 N N 1.268 120.002 118.700 0.056 0.000 2.407 466 N HA -0.064 4.676 4.740 0.000 0.000 0.182 466 N C -0.881 174.654 175.510 0.041 0.000 1.079 466 N CA 0.234 53.310 53.050 0.043 0.000 0.882 466 N CB 0.484 38.972 38.487 0.003 0.000 1.106 466 N HN 0.656 nan 8.380 nan 0.000 0.461 467 D N -0.088 120.335 120.400 0.039 0.000 2.494 467 D HA 0.091 4.731 4.640 0.000 0.000 0.217 467 D C -0.484 175.830 176.300 0.023 0.000 1.153 467 D CA -0.225 53.795 54.000 0.033 0.000 0.954 467 D CB 0.079 40.907 40.800 0.046 0.000 1.034 467 D HN 0.117 nan 8.370 nan 0.000 0.518 468 N N 1.640 120.356 118.700 0.027 0.000 2.236 468 N HA -0.046 4.694 4.740 0.000 0.000 0.196 468 N C -0.368 175.149 175.510 0.013 0.000 1.114 468 N CA -0.069 52.994 53.050 0.022 0.000 0.859 468 N CB 0.399 38.922 38.487 0.061 0.000 0.982 468 N HN 0.513 nan 8.380 nan 0.000 0.493 469 E N 0.266 120.473 120.200 0.011 0.000 2.228 469 E HA -0.214 4.136 4.350 0.000 0.000 0.213 469 E C 0.360 176.964 176.600 0.006 0.000 1.282 469 E CA 0.368 56.772 56.400 0.006 0.000 0.707 469 E CB -1.753 27.948 29.700 0.000 0.000 1.150 469 E HN 0.465 nan 8.360 nan 0.000 0.362 470 G N 0.932 109.739 108.800 0.012 0.000 2.366 470 G HA2 -0.332 3.628 3.960 0.000 0.000 0.299 470 G HA3 -0.332 3.628 3.960 0.000 0.000 0.299 470 G C -0.210 174.698 174.900 0.013 0.000 1.020 470 G CA 0.508 45.616 45.100 0.012 0.000 1.026 470 G HN 0.283 nan 8.290 nan 0.000 0.512 471 Q N 0.244 120.058 119.800 0.022 0.000 2.303 471 Q HA 0.308 4.648 4.340 0.000 0.000 0.267 471 Q C -0.614 175.420 176.000 0.057 0.000 1.011 471 Q CA -0.853 54.964 55.803 0.024 0.000 0.740 471 Q CB 1.748 30.489 28.738 0.005 0.000 1.250 471 Q HN 0.397 nan 8.270 nan 0.000 0.458 472 D N 1.760 122.195 120.400 0.058 0.000 2.506 472 D HA -0.038 4.602 4.640 0.000 0.000 0.234 472 D C -0.869 175.534 176.300 0.173 0.000 1.143 472 D CA 1.096 55.149 54.000 0.088 0.000 0.871 472 D CB 0.301 41.135 40.800 0.057 0.000 1.190 472 D HN 0.281 nan 8.370 nan 0.000 0.459 473 Y N 2.528 122.837 120.300 0.015 0.000 2.475 473 Y HA 0.141 4.691 4.550 0.000 0.000 0.343 473 Y C 0.654 176.580 175.900 0.044 0.000 1.068 473 Y CA -0.915 57.200 58.100 0.025 0.000 1.307 473 Y CB 0.604 39.079 38.460 0.025 0.000 1.097 473 Y HN 0.472 nan 8.280 nan 0.000 0.530 474 E N 2.651 122.843 120.200 -0.014 0.000 2.171 474 E HA -0.128 4.222 4.350 0.000 0.000 0.197 474 E C 0.860 177.324 176.600 -0.227 0.000 0.997 474 E CA 1.848 58.191 56.400 -0.094 0.000 0.810 474 E CB 0.384 30.067 29.700 -0.030 0.000 0.738 474 E HN 0.600 nan 8.360 nan 0.000 0.467 475 V N 2.067 121.644 119.914 -0.561 0.000 2.323 475 V HA -0.213 3.907 4.120 0.000 0.000 0.244 475 V C 2.594 178.529 176.094 -0.265 0.000 1.041 475 V CA 1.914 63.969 62.300 -0.408 0.000 1.025 475 V CB -0.809 30.788 31.823 -0.378 0.000 0.656 475 V HN 0.356 nan 8.190 nan 0.000 0.451 476 N N -0.091 118.199 118.700 -0.683 0.000 2.270 476 N HA -0.201 4.539 4.740 0.000 0.000 0.181 476 N C 1.970 177.424 175.510 -0.093 0.000 1.016 476 N CA 1.231 54.155 53.050 -0.209 0.000 0.870 476 N CB -0.103 38.357 38.487 -0.045 0.000 0.979 476 N HN 0.431 nan 8.380 nan 0.000 0.431 477 Q N 0.555 120.286 119.800 -0.114 0.000 2.084 477 Q HA -0.101 4.239 4.340 0.000 0.000 0.202 477 Q C 1.697 177.692 176.000 -0.008 0.000 0.978 477 Q CA 2.055 57.837 55.803 -0.036 0.000 0.844 477 Q CB -0.505 28.220 28.738 -0.022 0.000 0.898 477 Q HN 0.616 nan 8.270 nan 0.000 0.426 478 T N -1.713 112.853 114.554 0.021 0.000 3.088 478 T HA -0.040 4.310 4.350 0.000 0.000 0.259 478 T C 1.802 176.475 174.700 -0.045 0.000 1.122 478 T CA 0.550 62.681 62.100 0.051 0.000 1.095 478 T CB -0.091 68.880 68.868 0.173 0.000 0.930 478 T HN 0.151 nan 8.240 nan 0.000 0.508 479 L N 0.879 122.063 121.223 -0.065 0.000 2.156 479 L HA 0.257 4.597 4.340 0.000 0.000 0.208 479 L C 2.602 179.436 176.870 -0.060 0.000 1.095 479 L CA 1.348 56.009 54.840 -0.298 0.000 0.770 479 L CB -0.416 41.543 42.059 -0.166 0.000 0.914 479 L HN 0.118 nan 8.230 nan 0.000 0.439 480 R N -0.612 119.917 120.500 0.048 0.000 2.055 480 R HA -0.069 4.271 4.340 0.000 0.000 0.228 480 R C 2.117 178.486 176.300 0.114 0.000 1.143 480 R CA 1.306 57.512 56.100 0.177 0.000 0.945 480 R CB -0.512 29.810 30.300 0.037 0.000 0.841 480 R HN 0.339 nan 8.270 nan 0.000 0.429 481 E N 0.857 121.070 120.200 0.023 0.000 2.108 481 E HA -0.252 4.098 4.350 0.000 0.000 0.203 481 E C 1.882 178.457 176.600 -0.041 0.000 1.022 481 E CA 1.554 57.953 56.400 -0.002 0.000 0.823 481 E CB -0.130 29.565 29.700 -0.007 0.000 0.744 481 E HN 0.369 nan 8.360 nan 0.000 0.456 482 R N -0.208 120.229 120.500 -0.105 0.000 2.300 482 R HA 0.062 4.402 4.340 0.000 0.000 0.199 482 R C 0.304 176.463 176.300 -0.234 0.000 0.920 482 R CA 0.046 56.051 56.100 -0.158 0.000 1.046 482 R CB 0.391 30.574 30.300 -0.196 0.000 0.984 482 R HN 0.101 nan 8.270 nan 0.000 0.493 483 Q N -0.449 119.175 119.800 -0.294 0.000 2.504 483 Q HA -0.164 4.176 4.340 0.000 0.000 0.269 483 Q C 0.251 175.836 176.000 -0.692 0.000 0.970 483 Q CA 0.707 56.164 55.803 -0.576 0.000 1.064 483 Q CB -2.123 26.384 28.738 -0.384 0.000 1.355 483 Q HN 0.400 nan 8.270 nan 0.000 0.557 484 L N 0.090 120.966 121.223 -0.578 0.000 2.611 484 L HA 0.107 4.447 4.340 0.000 0.000 0.229 484 L C 0.808 177.416 176.870 -0.436 0.000 1.137 484 L CA -0.033 54.491 54.840 -0.528 0.000 0.901 484 L CB -0.330 41.312 42.059 -0.695 0.000 1.098 484 L HN 0.217 nan 8.230 nan 0.000 0.456 485 Y N -2.604 117.542 120.300 -0.257 0.000 2.310 485 Y HA 0.466 5.016 4.550 0.000 0.000 0.326 485 Y C 0.689 176.527 175.900 -0.104 0.000 1.151 485 Y CA -1.470 56.529 58.100 -0.170 0.000 1.195 485 Y CB -0.075 38.323 38.460 -0.104 0.000 1.210 485 Y HN -0.201 nan 8.280 nan 0.000 0.483 486 T N 5.579 120.204 114.554 0.118 0.000 2.871 486 T HA 0.038 4.388 4.350 0.000 0.000 0.296 486 T C 0.165 174.994 174.700 0.215 0.000 0.998 486 T CA -0.403 61.735 62.100 0.062 0.000 1.162 486 T CB -0.081 68.786 68.868 -0.002 0.000 0.947 486 T HN 0.470 nan 8.240 nan 0.000 0.536 487 K N 3.253 123.731 120.400 0.130 0.000 2.138 487 K HA 0.118 4.438 4.320 0.000 0.000 0.251 487 K C 1.114 177.829 176.600 0.192 0.000 1.015 487 K CA -0.622 55.783 56.287 0.197 0.000 0.917 487 K CB 0.372 32.940 32.500 0.113 0.000 1.021 487 K HN 0.617 nan 8.250 nan 0.000 0.485 488 N N 1.038 119.875 118.700 0.229 0.000 2.389 488 N HA -0.015 4.725 4.740 0.000 0.000 0.237 488 N C -0.812 174.935 175.510 0.395 0.000 1.148 488 N CA -0.073 53.186 53.050 0.348 0.000 0.854 488 N CB -0.038 38.634 38.487 0.308 0.000 1.115 488 N HN 0.285 nan 8.380 nan 0.000 0.492 489 D N 0.414 120.969 120.400 0.258 0.000 2.348 489 D HA 0.427 5.067 4.640 0.000 0.000 0.249 489 D C 0.266 176.715 176.300 0.248 0.000 1.110 489 D CA 0.058 54.169 54.000 0.185 0.000 0.967 489 D CB 1.504 42.360 40.800 0.093 0.000 1.139 489 D HN 0.438 nan 8.370 nan 0.000 0.466 490 S N -1.120 114.660 115.700 0.135 0.000 2.615 490 S HA 0.283 4.753 4.470 0.000 0.000 0.268 490 S C 0.106 174.736 174.600 0.049 0.000 1.146 490 S CA -0.835 57.432 58.200 0.111 0.000 0.818 490 S CB 0.466 63.760 63.200 0.156 0.000 1.111 490 S HN 0.290 nan 8.310 nan 0.000 0.465 491 L N 1.017 122.276 121.223 0.060 0.000 2.627 491 L HA 0.199 4.539 4.340 0.000 0.000 0.233 491 L C 1.160 178.070 176.870 0.068 0.000 1.144 491 L CA 0.833 55.722 54.840 0.083 0.000 0.892 491 L CB -0.632 41.517 42.059 0.151 0.000 1.039 491 L HN 1.021 nan 8.230 nan 0.000 0.442 492 T N -5.459 109.097 114.554 0.004 0.000 3.332 492 T HA 0.220 4.570 4.350 0.000 0.000 0.304 492 T C 1.172 175.821 174.700 -0.085 0.000 0.971 492 T CA 0.168 62.251 62.100 -0.029 0.000 0.954 492 T CB 0.692 69.513 68.868 -0.079 0.000 1.175 492 T HN 0.214 nan 8.240 nan 0.000 0.519 493 G N 2.059 110.804 108.800 -0.092 0.000 2.379 493 G HA2 -0.264 3.696 3.960 0.000 0.000 0.297 493 G HA3 -0.264 3.696 3.960 0.000 0.000 0.297 493 G C 0.090 174.855 174.900 -0.224 0.000 1.004 493 G CA 0.549 45.571 45.100 -0.130 0.000 0.921 493 G HN 0.662 nan 8.290 nan 0.000 0.511 494 T N 0.451 114.795 114.554 -0.351 0.000 2.761 494 T HA 0.356 4.706 4.350 0.000 0.000 0.296 494 T C 0.147 174.358 174.700 -0.816 0.000 0.934 494 T CA -0.003 61.794 62.100 -0.504 0.000 1.091 494 T CB 1.314 69.873 68.868 -0.516 0.000 0.896 494 T HN 0.296 nan 8.240 nan 0.000 0.515 495 D N 2.402 122.480 120.400 -0.537 0.000 2.352 495 D HA 0.213 4.853 4.640 0.000 0.000 0.245 495 D C 0.302 176.335 176.300 -0.446 0.000 1.224 495 D CA -0.469 53.258 54.000 -0.454 0.000 0.879 495 D CB 0.173 40.835 40.800 -0.230 0.000 1.057 495 D HN 0.330 nan 8.370 nan 0.000 0.491 496 F N 2.340 122.172 119.950 -0.197 0.000 2.187 496 F HA 0.281 4.808 4.527 0.000 0.000 0.295 496 F C 1.821 177.481 175.800 -0.234 0.000 1.091 496 F CA 0.988 58.805 58.000 -0.304 0.000 1.308 496 F CB -0.358 38.372 39.000 -0.451 0.000 1.030 496 F HN 0.488 nan 8.300 nan 0.000 0.487 497 G N -0.660 108.125 108.800 -0.026 0.000 2.337 497 G HA2 0.422 4.382 3.960 0.000 0.000 0.298 497 G HA3 0.422 4.382 3.960 0.000 0.000 0.298 497 G C -1.976 172.896 174.900 -0.046 0.000 1.335 497 G CA -0.756 44.319 45.100 -0.041 0.000 0.875 497 G HN -0.032 nan 8.290 nan 0.000 0.579 498 M N 0.407 119.985 119.600 -0.037 0.000 2.449 498 M HA 0.701 5.181 4.480 0.000 0.000 0.291 498 M C -0.265 176.021 176.300 -0.025 0.000 1.148 498 M CA -0.220 55.061 55.300 -0.032 0.000 0.925 498 M CB 1.645 34.228 32.600 -0.029 0.000 1.767 498 M HN 1.664 nan 8.290 nan 0.000 0.503 499 T N -1.161 113.380 114.554 -0.022 0.000 2.907 499 T HA 0.619 4.970 4.350 0.000 0.000 0.290 499 T C 0.070 174.760 174.700 -0.016 0.000 1.066 499 T CA -0.525 61.566 62.100 -0.014 0.000 1.012 499 T CB 1.265 70.130 68.868 -0.004 0.000 1.184 499 T HN 0.590 nan 8.240 nan 0.000 0.522 500 D N 0.131 120.524 120.400 -0.011 0.000 2.264 500 D HA -0.027 4.613 4.640 0.000 0.000 0.208 500 D C 1.455 177.747 176.300 -0.014 0.000 0.966 500 D CA 0.785 54.779 54.000 -0.012 0.000 0.864 500 D CB 0.015 40.810 40.800 -0.008 0.000 0.933 500 D HN 0.545 nan 8.370 nan 0.000 0.499 501 D N 0.277 120.669 120.400 -0.013 0.000 2.123 501 D HA -0.059 4.581 4.640 0.000 0.000 0.196 501 D C 1.597 177.875 176.300 -0.037 0.000 0.992 501 D CA 1.523 55.513 54.000 -0.017 0.000 0.833 501 D CB -0.167 40.627 40.800 -0.009 0.000 0.954 501 D HN 0.301 nan 8.370 nan 0.000 0.455 502 G N 1.248 110.020 108.800 -0.047 0.000 2.593 502 G HA2 -0.214 3.746 3.960 0.000 0.000 0.237 502 G HA3 -0.214 3.746 3.960 0.000 0.000 0.237 502 G C -2.582 172.237 174.900 -0.135 0.000 1.312 502 G CA -0.213 44.842 45.100 -0.074 0.000 0.896 502 G HN 0.145 nan 8.290 nan 0.000 0.574 503 P HA 0.301 nan 4.420 nan 0.000 0.278 503 P C 1.259 178.500 177.300 -0.098 0.000 1.266 503 P CA 0.755 63.765 63.100 -0.150 0.000 0.807 503 P CB 1.096 32.683 31.700 -0.187 0.000 1.094 504 S N -0.183 115.494 115.700 -0.037 0.000 2.407 504 S HA -0.212 4.258 4.470 0.000 0.000 0.235 504 S C 0.809 175.421 174.600 0.019 0.000 1.036 504 S CA 1.712 59.908 58.200 -0.007 0.000 1.013 504 S CB -1.250 61.954 63.200 0.007 0.000 0.820 504 S HN 0.635 nan 8.310 nan 0.000 0.476 505 D N 1.102 121.534 120.400 0.052 0.000 2.755 505 D HA 0.598 5.238 4.640 0.000 0.000 0.257 505 D C -0.263 176.148 176.300 0.185 0.000 1.291 505 D CA -0.299 53.775 54.000 0.123 0.000 0.836 505 D CB 0.066 40.958 40.800 0.153 0.000 1.059 505 D HN 0.473 nan 8.370 nan 0.000 0.486 506 A N 0.325 123.188 122.820 0.072 0.000 2.356 506 A HA 0.455 4.776 4.320 0.000 0.000 0.310 506 A C -1.287 176.369 177.584 0.121 0.000 1.075 506 A CA -0.995 51.082 52.037 0.067 0.000 0.746 506 A CB 0.917 19.723 19.000 -0.324 0.000 1.221 506 A HN 0.278 nan 8.150 nan 0.000 0.443 507 Y N 3.553 123.919 120.300 0.111 0.000 2.677 507 Y HA 0.306 4.856 4.550 0.000 0.000 0.335 507 Y C -0.162 175.828 175.900 0.149 0.000 1.162 507 Y CA 0.488 58.650 58.100 0.103 0.000 1.483 507 Y CB 0.089 38.593 38.460 0.074 0.000 1.209 507 Y HN 0.474 nan 8.280 nan 0.000 0.528 508 I N 7.451 128.039 120.570 0.030 0.000 2.354 508 I HA 0.358 4.528 4.170 0.000 0.000 0.286 508 I C 0.623 176.816 176.117 0.125 0.000 1.007 508 I CA -0.347 61.028 61.300 0.125 0.000 1.167 508 I CB 0.930 38.935 38.000 0.009 0.000 1.320 508 I HN 0.744 nan 8.210 nan 0.000 0.458 509 G N 4.198 113.266 108.800 0.447 0.000 2.795 509 G HA2 0.497 4.457 3.960 0.000 0.000 0.267 509 G HA3 0.497 4.457 3.960 0.000 0.000 0.267 509 G C -1.558 173.544 174.900 0.337 0.000 1.362 509 G CA -0.261 45.070 45.100 0.386 0.000 1.048 509 G HN 0.616 nan 8.290 nan 0.000 0.547 510 H N -1.580 117.598 119.070 0.180 0.000 2.759 510 H HA 0.550 5.106 4.556 0.000 0.000 0.354 510 H C -1.424 174.015 175.328 0.185 0.000 1.074 510 H CA -0.630 55.506 56.048 0.146 0.000 1.226 510 H CB 1.868 31.664 29.762 0.056 0.000 1.648 510 H HN 0.417 nan 8.280 nan 0.000 0.529 511 L N 3.887 124.955 121.223 -0.260 0.000 2.282 511 L HA 0.415 4.755 4.340 0.000 0.000 0.288 511 L C -1.037 175.550 176.870 -0.472 0.000 1.033 511 L CA -0.226 54.390 54.840 -0.373 0.000 0.807 511 L CB 1.111 42.844 42.059 -0.543 0.000 1.209 511 L HN 0.732 nan 8.230 nan 0.000 0.423 512 D N 3.194 123.371 120.400 -0.371 0.000 2.473 512 D HA 0.237 4.877 4.640 0.000 0.000 0.253 512 D C -0.748 175.427 176.300 -0.209 0.000 1.233 512 D CA -0.087 53.810 54.000 -0.172 0.000 0.908 512 D CB 0.641 41.461 40.800 0.033 0.000 1.170 512 D HN 0.455 nan 8.370 nan 0.000 0.558 513 Y N 2.525 122.841 120.300 0.027 0.000 2.532 513 Y HA 0.440 4.990 4.550 0.000 0.000 0.283 513 Y C 1.519 177.603 175.900 0.307 0.000 1.181 513 Y CA 0.315 58.483 58.100 0.113 0.000 1.256 513 Y CB 0.429 38.966 38.460 0.129 0.000 1.112 513 Y HN 0.640 nan 8.280 nan 0.000 0.521 514 G N -0.327 108.674 108.800 0.336 0.000 2.829 514 G HA2 0.086 4.046 3.960 0.000 0.000 0.628 514 G HA3 0.086 4.046 3.960 0.000 0.000 0.628 514 G C 0.761 175.877 174.900 0.359 0.000 1.412 514 G CA -0.337 44.984 45.100 0.369 0.000 0.864 514 G HN 1.045 nan 8.290 nan 0.000 0.544 515 G N -1.200 107.767 108.800 0.278 0.000 2.187 515 G HA2 0.304 4.264 3.960 0.000 0.000 0.261 515 G HA3 0.304 4.264 3.960 0.000 0.000 0.261 515 G C 2.031 176.958 174.900 0.045 0.000 1.000 515 G CA 1.136 46.291 45.100 0.092 0.000 0.718 515 G HN 3.142 nan 8.290 nan 0.000 0.519 516 G N -2.800 106.056 108.800 0.092 0.000 2.179 516 G HA2 -0.085 3.875 3.960 0.000 0.000 0.260 516 G HA3 -0.085 3.875 3.960 0.000 0.000 0.260 516 G C 0.469 175.414 174.900 0.075 0.000 0.977 516 G CA 0.515 45.659 45.100 0.073 0.000 0.641 516 G HN 1.613 nan 8.290 nan 0.000 0.533 517 V N 2.651 122.628 119.914 0.105 0.000 2.276 517 V HA 0.502 4.622 4.120 0.000 0.000 0.249 517 V C 0.515 176.721 176.094 0.187 0.000 1.160 517 V CA 0.857 63.236 62.300 0.132 0.000 1.042 517 V CB 0.168 32.094 31.823 0.173 0.000 1.224 517 V HN 0.657 nan 8.190 nan 0.000 0.496 518 E N 4.168 124.426 120.200 0.097 0.000 2.430 518 E HA 0.782 5.132 4.350 0.000 0.000 0.279 518 E C -1.164 175.386 176.600 -0.084 0.000 1.003 518 E CA -0.867 55.528 56.400 -0.007 0.000 0.801 518 E CB 2.463 32.207 29.700 0.073 0.000 1.313 518 E HN 0.544 nan 8.360 nan 0.000 0.459 519 C N 0.052 119.158 119.300 -0.324 0.000 3.292 519 C HA 0.524 4.984 4.460 0.000 0.000 0.338 519 C C -1.286 173.536 174.990 -0.281 0.000 1.323 519 C CA -0.862 58.044 59.018 -0.186 0.000 1.232 519 C CB 0.812 28.504 27.740 -0.079 0.000 1.517 519 C HN 0.817 nan 8.230 nan 0.000 0.470 520 D N 1.051 121.466 120.400 0.025 0.000 2.358 520 D HA 0.680 5.320 4.640 0.000 0.000 0.244 520 D C 0.203 176.527 176.300 0.040 0.000 1.163 520 D CA 0.860 54.940 54.000 0.132 0.000 0.945 520 D CB 1.506 42.396 40.800 0.151 0.000 1.152 520 D HN 1.250 nan 8.370 nan 0.000 0.451 521 A N 0.799 123.637 122.820 0.030 0.000 2.547 521 A HA 0.569 4.889 4.320 0.000 0.000 0.297 521 A C -1.020 176.362 177.584 -0.338 0.000 1.056 521 A CA -0.689 51.245 52.037 -0.172 0.000 0.688 521 A CB 0.893 19.762 19.000 -0.219 0.000 1.282 521 A HN 0.435 nan 8.150 nan 0.000 0.400 522 L N 0.250 121.228 121.223 -0.408 0.000 2.440 522 L HA 0.773 5.113 4.340 0.000 0.000 0.262 522 L C -0.877 175.547 176.870 -0.743 0.000 1.072 522 L CA -0.602 54.057 54.840 -0.302 0.000 0.798 522 L CB 1.118 43.102 42.059 -0.125 0.000 1.307 522 L HN 0.739 nan 8.230 nan 0.000 0.475 523 F N -0.961 118.959 119.950 -0.050 0.000 2.601 523 F HA 0.392 4.919 4.527 0.000 0.000 0.309 523 F C -2.428 173.265 175.800 -0.178 0.000 1.089 523 F CA -2.157 55.759 58.000 -0.140 0.000 0.940 523 F CB 1.474 40.343 39.000 -0.218 0.000 1.273 523 F HN 0.125 nan 8.300 nan 0.000 0.450 524 P HA 0.063 nan 4.420 nan 0.000 0.281 524 P C -0.710 176.158 177.300 -0.721 0.000 1.286 524 P CA -0.100 62.633 63.100 -0.610 0.000 0.772 524 P CB 0.525 31.522 31.700 -1.170 0.000 0.862 525 D N 3.156 123.303 120.400 -0.421 0.000 2.489 525 D HA -0.010 4.630 4.640 0.000 0.000 0.237 525 D C 0.653 176.802 176.300 -0.251 0.000 1.212 525 D CA -0.099 53.723 54.000 -0.298 0.000 1.058 525 D CB -0.179 40.502 40.800 -0.199 0.000 1.098 525 D HN 0.325 nan 8.370 nan 0.000 0.509 526 W N 2.368 123.626 121.300 -0.071 0.000 2.292 526 W HA -0.229 4.431 4.660 0.000 0.000 0.304 526 W C 2.484 178.964 176.519 -0.066 0.000 1.228 526 W CA 0.851 58.140 57.345 -0.094 0.000 1.241 526 W CB -0.518 28.834 29.460 -0.181 0.000 1.142 526 W HN 0.440 nan 8.180 nan 0.000 0.520 527 G N 0.644 109.530 108.800 0.143 0.000 2.476 527 G HA2 -0.235 3.725 3.960 0.000 0.000 0.218 527 G HA3 -0.235 3.725 3.960 0.000 0.000 0.218 527 G C 0.845 175.779 174.900 0.057 0.000 1.164 527 G CA 0.326 45.473 45.100 0.079 0.000 0.768 527 G HN 0.115 nan 8.290 nan 0.000 0.560 528 R N 1.250 121.758 120.500 0.013 0.000 2.678 528 R HA 0.087 4.427 4.340 0.000 0.000 0.264 528 R C -2.136 174.181 176.300 0.029 0.000 0.995 528 R CA -0.862 55.233 56.100 -0.008 0.000 1.098 528 R CB -0.299 29.958 30.300 -0.071 0.000 0.949 528 R HN 0.226 nan 8.270 nan 0.000 0.422 529 P HA -0.021 nan 4.420 nan 0.000 0.272 529 P C -0.300 177.022 177.300 0.037 0.000 1.230 529 P CA 0.044 63.168 63.100 0.041 0.000 0.788 529 P CB 0.632 32.351 31.700 0.032 0.000 0.949 530 D N -1.173 119.269 120.400 0.069 0.000 2.337 530 D HA -0.170 4.470 4.640 0.000 0.000 0.194 530 D C 1.587 177.977 176.300 0.149 0.000 1.448 530 D CA 1.396 55.448 54.000 0.086 0.000 1.699 530 D CB -1.566 39.252 40.800 0.031 0.000 1.398 530 D HN 0.129 nan 8.370 nan 0.000 0.553 531 V N 1.438 121.423 119.914 0.119 0.000 2.231 531 V HA -0.294 3.826 4.120 0.000 0.000 0.248 531 V C 2.747 179.090 176.094 0.416 0.000 1.054 531 V CA 3.299 65.706 62.300 0.179 0.000 1.015 531 V CB -0.845 31.006 31.823 0.046 0.000 0.638 531 V HN 0.516 nan 8.190 nan 0.000 0.444 532 A N -0.245 122.811 122.820 0.394 0.000 1.940 532 A HA -0.305 4.015 4.320 0.000 0.000 0.219 532 A C 2.164 179.998 177.584 0.416 0.000 1.176 532 A CA 2.295 54.614 52.037 0.469 0.000 0.631 532 A CB -0.585 18.582 19.000 0.277 0.000 0.814 532 A HN 0.664 nan 8.150 nan 0.000 0.446 533 E N -0.875 119.506 120.200 0.302 0.000 2.051 533 E HA -0.239 4.111 4.350 0.000 0.000 0.192 533 E C 1.730 178.485 176.600 0.258 0.000 0.991 533 E CA 1.824 58.361 56.400 0.228 0.000 0.799 533 E CB -0.584 29.219 29.700 0.172 0.000 0.748 533 E HN 0.738 nan 8.360 nan 0.000 0.449 534 W N 0.375 121.751 121.300 0.127 0.000 2.358 534 W HA -0.148 4.512 4.660 0.000 0.000 0.303 534 W C 2.092 178.686 176.519 0.126 0.000 1.208 534 W CA 1.771 59.168 57.345 0.087 0.000 1.274 534 W CB -0.630 28.869 29.460 0.066 0.000 1.138 534 W HN 0.299 nan 8.180 nan 0.000 0.515 535 W N 1.724 123.080 121.300 0.094 0.000 2.381 535 W HA -0.088 4.572 4.660 0.000 0.000 0.301 535 W C 2.003 178.471 176.519 -0.086 0.000 1.205 535 W CA 2.212 59.456 57.345 -0.169 0.000 1.285 535 W CB -1.058 28.667 29.460 0.441 0.000 1.133 535 W HN 0.051 nan 8.180 nan 0.000 0.521 536 G N 1.363 110.216 108.800 0.088 0.000 2.469 536 G HA2 -0.375 3.585 3.960 0.000 0.000 0.219 536 G HA3 -0.375 3.585 3.960 0.000 0.000 0.219 536 G C 1.372 176.176 174.900 -0.160 0.000 1.150 536 G CA 1.295 46.384 45.100 -0.018 0.000 0.763 536 G HN 0.233 nan 8.290 nan 0.000 0.561 537 N N 1.193 119.748 118.700 -0.242 0.000 2.223 537 N HA -0.081 4.659 4.740 0.000 0.000 0.185 537 N C 1.988 177.194 175.510 -0.507 0.000 1.016 537 N CA 0.748 53.626 53.050 -0.286 0.000 0.863 537 N CB -0.377 37.973 38.487 -0.229 0.000 0.983 537 N HN 0.212 nan 8.380 nan 0.000 0.429 538 N N 0.279 118.437 118.700 -0.905 0.000 2.258 538 N HA -0.162 4.578 4.740 0.000 0.000 0.187 538 N C 1.229 175.965 175.510 -1.290 0.000 1.012 538 N CA 0.707 52.931 53.050 -1.377 0.000 0.870 538 N CB -0.469 36.535 38.487 -2.472 0.000 0.977 538 N HN 0.440 nan 8.380 nan 0.000 0.434 539 Y N 1.057 120.752 120.300 -1.008 0.000 2.574 539 Y HA -0.021 4.529 4.550 0.000 0.000 0.294 539 Y C 2.148 177.556 175.900 -0.820 0.000 1.142 539 Y CA 0.698 58.268 58.100 -0.884 0.000 1.314 539 Y CB 0.017 37.999 38.460 -0.797 0.000 0.991 539 Y HN -0.008 nan 8.280 nan 0.000 0.555 540 K N 0.237 120.438 120.400 -0.333 0.000 2.209 540 K HA -0.190 4.130 4.320 0.000 0.000 0.204 540 K C 1.720 178.255 176.600 -0.108 0.000 1.048 540 K CA 1.277 57.494 56.287 -0.118 0.000 0.940 540 K CB 0.022 32.469 32.500 -0.088 0.000 0.729 540 K HN 0.281 nan 8.250 nan 0.000 0.451 541 K N 0.065 120.335 120.400 -0.216 0.000 2.167 541 K HA -0.027 4.293 4.320 0.000 0.000 0.203 541 K C 1.749 178.345 176.600 -0.008 0.000 1.052 541 K CA 0.817 57.045 56.287 -0.100 0.000 0.956 541 K CB 0.181 32.599 32.500 -0.137 0.000 0.735 541 K HN 0.074 nan 8.250 nan 0.000 0.451 542 L N -0.750 120.414 121.223 -0.099 0.000 2.298 542 L HA 0.042 4.382 4.340 0.000 0.000 0.209 542 L C 1.703 178.653 176.870 0.133 0.000 1.084 542 L CA 0.265 55.114 54.840 0.014 0.000 0.816 542 L CB -0.157 41.845 42.059 -0.095 0.000 0.967 542 L HN 0.027 nan 8.230 nan 0.000 0.460 543 F N 0.825 120.816 119.950 0.068 0.000 2.186 543 F HA -0.157 4.370 4.527 0.000 0.000 0.299 543 F C 2.932 178.793 175.800 0.100 0.000 1.090 543 F CA 1.075 59.117 58.000 0.069 0.000 1.307 543 F CB -1.332 37.709 39.000 0.068 0.000 1.019 543 F HN 0.134 nan 8.300 nan 0.000 0.489 544 S N 0.670 116.538 115.700 0.281 0.000 2.474 544 S HA -0.124 4.346 4.470 0.000 0.000 0.235 544 S C 1.596 176.340 174.600 0.240 0.000 0.997 544 S CA 1.105 59.435 58.200 0.218 0.000 0.949 544 S CB -1.179 62.116 63.200 0.159 0.000 0.766 544 S HN 0.616 nan 8.310 nan 0.000 0.517 545 I N -3.186 117.547 120.570 0.272 0.000 3.976 545 I HA 0.637 4.808 4.170 0.000 0.000 0.337 545 I C 1.242 177.544 176.117 0.307 0.000 1.359 545 I CA 0.076 61.550 61.300 0.291 0.000 1.098 545 I CB -0.049 38.151 38.000 0.334 0.000 1.027 545 I HN 0.318 nan 8.210 nan 0.000 0.394 546 G N 1.781 110.757 108.800 0.294 0.000 2.184 546 G HA2 -0.242 3.718 3.960 0.000 0.000 0.206 546 G HA3 -0.242 3.718 3.960 0.000 0.000 0.206 546 G C -0.009 174.905 174.900 0.023 0.000 0.995 546 G CA -0.023 45.245 45.100 0.281 0.000 0.651 546 G HN 0.383 nan 8.290 nan 0.000 0.511 547 L N 1.457 122.520 121.223 -0.267 0.000 2.628 547 L HA 0.268 4.608 4.340 0.000 0.000 0.292 547 L C 1.019 177.849 176.870 -0.066 0.000 1.250 547 L CA 1.483 55.927 54.840 -0.660 0.000 0.892 547 L CB 0.468 42.304 42.059 -0.372 0.000 1.138 547 L HN 0.234 nan 8.230 nan 0.000 0.502 548 D N 4.093 124.452 120.400 -0.068 0.000 2.566 548 D HA 0.139 4.779 4.640 0.000 0.000 0.253 548 D C 0.064 176.563 176.300 0.331 0.000 0.992 548 D CA 1.370 55.462 54.000 0.153 0.000 0.940 548 D CB 0.222 41.075 40.800 0.088 0.000 1.095 548 D HN 0.505 nan 8.370 nan 0.000 0.480 549 F N -0.770 119.202 119.950 0.037 0.000 2.754 549 F HA 0.620 5.147 4.527 0.000 0.000 0.320 549 F C -1.011 174.856 175.800 0.112 0.000 1.156 549 F CA -1.296 56.775 58.000 0.120 0.000 0.950 549 F CB 1.037 40.153 39.000 0.194 0.000 1.388 549 F HN -0.386 nan 8.300 nan 0.000 0.485 550 V N 0.397 120.296 119.914 -0.024 0.000 2.975 550 V HA 0.331 4.451 4.120 0.000 0.000 0.318 550 V C -1.622 174.402 176.094 -0.118 0.000 1.077 550 V CA -0.471 61.808 62.300 -0.035 0.000 1.000 550 V CB 1.884 33.789 31.823 0.137 0.000 1.066 550 V HN 0.843 nan 8.190 nan 0.000 0.452 551 W N 3.008 124.164 121.300 -0.239 0.000 2.481 551 W HA 0.546 5.206 4.660 0.000 0.000 0.285 551 W C -0.529 175.959 176.519 -0.052 0.000 1.017 551 W CA -1.416 55.773 57.345 -0.260 0.000 1.499 551 W CB 0.806 30.022 29.460 -0.407 0.000 1.381 551 W HN 0.607 nan 8.180 nan 0.000 0.390 552 Q N 3.585 123.557 119.800 0.287 0.000 2.297 552 Q HA 0.297 4.637 4.340 0.000 0.000 0.267 552 Q C -0.742 175.434 176.000 0.293 0.000 1.006 552 Q CA 1.134 57.075 55.803 0.230 0.000 0.896 552 Q CB 0.831 29.686 28.738 0.194 0.000 1.186 552 Q HN 0.386 nan 8.270 nan 0.000 0.392 553 D N 2.398 122.877 120.400 0.133 0.000 2.570 553 D HA 0.362 5.002 4.640 0.000 0.000 0.244 553 D C -0.744 175.600 176.300 0.075 0.000 1.178 553 D CA -0.353 53.729 54.000 0.136 0.000 0.881 553 D CB 0.877 41.620 40.800 -0.094 0.000 1.453 553 D HN 0.528 nan 8.370 nan 0.000 0.447 554 M N 1.211 120.837 119.600 0.043 0.000 2.516 554 M HA -0.154 4.326 4.480 0.000 0.000 0.183 554 M C 0.562 176.958 176.300 0.159 0.000 0.928 554 M CA 0.986 56.313 55.300 0.044 0.000 0.573 554 M CB -2.872 29.671 32.600 -0.095 0.000 1.126 554 M HN 0.564 nan 8.290 nan 0.000 0.859 555 T N -5.027 109.587 114.554 0.101 0.000 3.069 555 T HA 0.329 4.679 4.350 0.000 0.000 0.252 555 T C 1.381 176.128 174.700 0.079 0.000 1.053 555 T CA 0.381 62.560 62.100 0.132 0.000 0.964 555 T CB 0.284 69.217 68.868 0.109 0.000 1.005 555 T HN 0.302 nan 8.240 nan 0.000 0.532 556 V N 1.713 121.603 119.914 -0.040 0.000 2.427 556 V HA 0.071 4.191 4.120 0.000 0.000 0.248 556 V C -1.463 174.356 176.094 -0.458 0.000 1.051 556 V CA 0.516 62.712 62.300 -0.173 0.000 1.048 556 V CB -1.595 30.102 31.823 -0.210 0.000 0.666 556 V HN 0.474 nan 8.190 nan 0.000 0.456 557 P HA 0.191 nan 4.420 nan 0.000 0.276 557 P C -0.504 176.654 177.300 -0.237 0.000 1.235 557 P CA 0.315 63.182 63.100 -0.388 0.000 0.772 557 P CB 1.033 32.304 31.700 -0.714 0.000 0.871 558 A N 5.406 128.250 122.820 0.040 0.000 2.981 558 A HA 0.209 4.529 4.320 0.000 0.000 0.280 558 A C 0.896 178.521 177.584 0.068 0.000 1.743 558 A CA -0.229 51.790 52.037 -0.030 0.000 1.430 558 A CB -1.078 17.892 19.000 -0.049 0.000 1.085 558 A HN 0.486 nan 8.150 nan 0.000 0.597 559 M N 0.793 120.385 119.600 -0.013 0.000 1.801 559 M HA 0.324 4.804 4.480 0.000 0.000 0.198 559 M C 0.809 177.096 176.300 -0.021 0.000 1.248 559 M CA 0.211 55.548 55.300 0.061 0.000 0.893 559 M CB 0.253 32.809 32.600 -0.074 0.000 1.199 559 M HN 0.654 nan 8.290 nan 0.000 0.482 560 M N 0.828 120.452 119.600 0.039 0.000 2.409 560 M HA 0.398 4.878 4.480 0.000 0.000 0.329 560 M C -2.345 173.993 176.300 0.064 0.000 1.180 560 M CA -1.801 53.538 55.300 0.066 0.000 1.053 560 M CB 1.532 34.234 32.600 0.170 0.000 1.586 560 M HN 0.106 nan 8.290 nan 0.000 0.461 561 P HA -0.020 nan 4.420 nan 0.000 0.264 561 P C -1.533 175.902 177.300 0.226 0.000 1.183 561 P CA 0.749 63.941 63.100 0.152 0.000 0.763 561 P CB 0.119 32.006 31.700 0.312 0.000 0.807 562 H N 1.958 121.047 119.070 0.032 0.000 3.026 562 H HA 0.288 4.844 4.556 0.000 0.000 0.352 562 H C -1.215 174.285 175.328 0.286 0.000 1.090 562 H CA -0.708 55.423 56.048 0.138 0.000 1.268 562 H CB 1.729 31.569 29.762 0.129 0.000 1.816 562 H HN 0.286 nan 8.280 nan 0.000 0.518 563 K N 5.303 125.472 120.400 -0.385 0.000 2.156 563 K HA 0.315 4.635 4.320 0.000 0.000 0.254 563 K C 0.077 176.458 176.600 -0.365 0.000 0.950 563 K CA -0.811 55.371 56.287 -0.175 0.000 0.849 563 K CB 1.116 33.434 32.500 -0.303 0.000 1.100 563 K HN 0.416 nan 8.250 nan 0.000 0.434 564 I N 2.901 123.421 120.570 -0.083 0.000 2.752 564 I HA -0.029 4.141 4.170 0.000 0.000 0.287 564 I C 1.531 177.573 176.117 -0.126 0.000 1.188 564 I CA 1.545 62.781 61.300 -0.107 0.000 1.427 564 I CB 0.130 38.063 38.000 -0.112 0.000 1.365 564 I HN 1.132 nan 8.210 nan 0.000 0.585 565 G N 5.397 114.145 108.800 -0.087 0.000 2.527 565 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 565 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 565 G C 0.109 174.968 174.900 -0.069 0.000 1.177 565 G CA -0.199 44.853 45.100 -0.081 0.000 0.695 565 G HN 0.534 nan 8.290 nan 0.000 0.517 566 D N 2.874 123.199 120.400 -0.125 0.000 2.423 566 D HA 0.419 5.059 4.640 0.000 0.000 0.238 566 D C 0.473 176.817 176.300 0.073 0.000 1.142 566 D CA -0.093 53.852 54.000 -0.091 0.000 0.884 566 D CB 0.446 41.123 40.800 -0.205 0.000 1.199 566 D HN 0.283 nan 8.370 nan 0.000 0.438 567 D N 1.029 121.461 120.400 0.053 0.000 2.449 567 D HA -0.037 4.603 4.640 0.000 0.000 0.236 567 D C 1.640 178.025 176.300 0.141 0.000 1.149 567 D CA 0.025 54.065 54.000 0.068 0.000 0.878 567 D CB 0.763 41.566 40.800 0.006 0.000 1.198 567 D HN 0.326 nan 8.370 nan 0.000 0.446 568 I N 1.480 122.077 120.570 0.045 0.000 2.530 568 I HA -0.318 3.852 4.170 0.000 0.000 0.257 568 I C 1.514 177.503 176.117 -0.213 0.000 1.179 568 I CA 1.113 62.351 61.300 -0.104 0.000 1.440 568 I CB -0.443 37.491 38.000 -0.111 0.000 1.087 568 I HN 0.366 nan 8.210 nan 0.000 0.440 569 N N 0.147 118.691 118.700 -0.259 0.000 2.270 569 N HA 0.059 4.799 4.740 0.000 0.000 0.198 569 N C -0.142 175.211 175.510 -0.261 0.000 1.117 569 N CA -0.055 52.642 53.050 -0.589 0.000 0.845 569 N CB 0.066 38.294 38.487 -0.432 0.000 0.980 569 N HN 0.022 nan 8.380 nan 0.000 0.486 570 V N 0.543 120.430 119.914 -0.046 0.000 2.630 570 V HA 0.399 4.519 4.120 0.000 0.000 0.305 570 V C 0.162 176.316 176.094 0.101 0.000 1.046 570 V CA -1.122 61.193 62.300 0.025 0.000 0.934 570 V CB 1.593 33.425 31.823 0.014 0.000 1.003 570 V HN 0.350 nan 8.190 nan 0.000 0.451 571 K N 2.779 123.230 120.400 0.085 0.000 2.267 571 K HA 0.758 5.078 4.320 0.000 0.000 0.246 571 K C -2.955 173.692 176.600 0.077 0.000 0.954 571 K CA -1.718 54.643 56.287 0.122 0.000 0.824 571 K CB 1.988 34.579 32.500 0.153 0.000 1.167 571 K HN 0.385 nan 8.250 nan 0.000 0.431 572 P HA 0.032 nan 4.420 nan 0.000 0.279 572 P C -0.786 176.576 177.300 0.103 0.000 1.282 572 P CA -0.433 62.688 63.100 0.034 0.000 0.788 572 P CB 0.311 32.073 31.700 0.102 0.000 1.139 573 D N -0.740 119.712 120.400 0.087 0.000 2.472 573 D HA -0.052 4.588 4.640 0.000 0.000 0.237 573 D C 1.564 177.996 176.300 0.219 0.000 1.141 573 D CA 0.678 54.762 54.000 0.140 0.000 0.875 573 D CB 0.982 41.870 40.800 0.148 0.000 1.192 573 D HN 0.443 nan 8.370 nan 0.000 0.450 574 G N 4.096 113.001 108.800 0.175 0.000 2.672 574 G HA2 -0.363 3.597 3.960 0.000 0.000 0.218 574 G HA3 -0.363 3.597 3.960 0.000 0.000 0.218 574 G C 1.267 176.359 174.900 0.320 0.000 1.238 574 G CA 1.150 46.371 45.100 0.202 0.000 0.791 574 G HN 0.780 nan 8.290 nan 0.000 0.606 575 N N -0.437 118.461 118.700 0.329 0.000 2.381 575 N HA -0.104 4.636 4.740 0.000 0.000 0.182 575 N C 0.865 176.513 175.510 0.231 0.000 1.025 575 N CA 0.480 53.809 53.050 0.465 0.000 0.888 575 N CB -0.326 38.459 38.487 0.498 0.000 0.965 575 N HN 0.551 nan 8.380 nan 0.000 0.438 576 W N 3.944 125.272 121.300 0.047 0.000 2.253 576 W HA 0.252 4.912 4.660 0.000 0.000 0.322 576 W C -2.340 174.025 176.519 -0.256 0.000 1.342 576 W CA -1.429 55.869 57.345 -0.079 0.000 1.218 576 W CB 0.691 30.114 29.460 -0.062 0.000 1.205 576 W HN 0.008 nan 8.180 nan 0.000 0.551 577 P HA 0.293 nan 4.420 nan 0.000 0.284 577 P C -1.404 175.410 177.300 -0.810 0.000 1.258 577 P CA -0.457 61.525 63.100 -1.864 0.000 0.824 577 P CB 1.539 31.877 31.700 -2.270 0.000 1.038 578 N N -0.696 117.652 118.700 -0.587 0.000 2.761 578 N HA 0.537 5.277 4.740 0.000 0.000 0.283 578 N C 0.782 176.126 175.510 -0.277 0.000 1.377 578 N CA -0.961 51.890 53.050 -0.331 0.000 0.791 578 N CB -0.226 38.152 38.487 -0.182 0.000 1.540 578 N HN 0.190 nan 8.380 nan 0.000 0.539 579 A N -0.409 122.224 122.820 -0.312 0.000 1.908 579 A HA -0.163 4.157 4.320 0.000 0.000 0.218 579 A C 1.068 178.584 177.584 -0.113 0.000 1.181 579 A CA 1.828 53.688 52.037 -0.295 0.000 0.627 579 A CB -0.905 17.721 19.000 -0.624 0.000 0.818 579 A HN 0.716 nan 8.150 nan 0.000 0.445 580 D N -0.612 119.770 120.400 -0.030 0.000 2.363 580 D HA 0.048 4.688 4.640 0.000 0.000 0.226 580 D C -0.213 176.119 176.300 0.053 0.000 1.020 580 D CA 0.771 54.819 54.000 0.081 0.000 0.892 580 D CB 0.183 41.072 40.800 0.149 0.000 0.900 580 D HN 0.377 nan 8.370 nan 0.000 0.531 581 D N -0.218 120.180 120.400 -0.003 0.000 2.823 581 D HA 0.117 4.757 4.640 0.000 0.000 0.255 581 D C -2.754 173.476 176.300 -0.117 0.000 1.257 581 D CA -1.529 52.497 54.000 0.043 0.000 0.803 581 D CB 1.416 42.312 40.800 0.160 0.000 1.384 581 D HN -0.059 nan 8.370 nan 0.000 0.541 582 P HA 0.132 nan 4.420 nan 0.000 0.279 582 P C 0.997 178.228 177.300 -0.116 0.000 1.282 582 P CA -0.308 62.712 63.100 -0.133 0.000 0.788 582 P CB 1.131 32.827 31.700 -0.007 0.000 1.139 583 S N -0.031 115.613 115.700 -0.093 0.000 2.383 583 S HA -0.143 4.327 4.470 0.000 0.000 0.227 583 S C 0.599 175.339 174.600 0.233 0.000 1.026 583 S CA 1.172 59.391 58.200 0.031 0.000 0.981 583 S CB -1.382 61.918 63.200 0.167 0.000 0.818 583 S HN 0.497 nan 8.310 nan 0.000 0.472 584 N N 0.727 119.551 118.700 0.207 0.000 2.696 584 N HA -0.187 4.553 4.740 0.000 0.000 0.249 584 N C 0.606 176.250 175.510 0.223 0.000 1.090 584 N CA 1.342 54.512 53.050 0.200 0.000 0.716 584 N CB -1.957 36.630 38.487 0.167 0.000 1.020 584 N HN 0.832 nan 8.380 nan 0.000 0.548 585 G N -1.484 107.489 108.800 0.287 0.000 2.136 585 G HA2 -0.342 3.618 3.960 0.000 0.000 0.242 585 G HA3 -0.342 3.618 3.960 0.000 0.000 0.242 585 G C 0.458 175.520 174.900 0.269 0.000 0.989 585 G CA 0.524 45.791 45.100 0.278 0.000 0.682 585 G HN 0.548 nan 8.290 nan 0.000 0.522 586 Q N -1.648 118.354 119.800 0.337 0.000 2.217 586 Q HA 0.256 4.596 4.340 0.000 0.000 0.217 586 Q C 0.089 176.404 176.000 0.525 0.000 0.844 586 Q CA -0.239 55.776 55.803 0.352 0.000 0.957 586 Q CB 1.026 29.948 28.738 0.306 0.000 1.127 586 Q HN 0.514 nan 8.270 nan 0.000 0.503 587 Y N 2.365 122.851 120.300 0.311 0.000 2.361 587 Y HA 0.126 4.676 4.550 0.000 0.000 0.332 587 Y C 0.828 176.785 175.900 0.095 0.000 1.101 587 Y CA -1.222 56.934 58.100 0.093 0.000 1.137 587 Y CB 0.838 38.976 38.460 -0.537 0.000 1.207 587 Y HN 0.046 nan 8.280 nan 0.000 0.463 588 N N 2.306 120.695 118.700 -0.518 0.000 2.353 588 N HA -0.087 4.653 4.740 0.000 0.000 0.185 588 N C -0.500 174.816 175.510 -0.322 0.000 1.098 588 N CA 0.121 52.829 53.050 -0.569 0.000 0.872 588 N CB -0.493 37.323 38.487 -1.118 0.000 0.970 588 N HN 0.757 nan 8.380 nan 0.000 0.467 589 W N 2.357 123.162 121.300 -0.824 0.000 6.199 589 W HA -0.226 4.434 4.660 0.000 0.000 0.416 589 W C -0.430 175.903 176.519 -0.310 0.000 1.636 589 W CA 0.366 57.556 57.345 -0.259 0.000 1.040 589 W CB -2.334 27.323 29.460 0.327 0.000 2.854 589 W HN 0.091 nan 8.180 nan 0.000 1.467 590 K N -0.881 119.310 120.400 -0.349 0.000 4.075 590 K HA -0.179 4.141 4.320 0.000 0.000 0.278 590 K C 0.322 176.717 176.600 -0.342 0.000 0.862 590 K CA 1.349 57.447 56.287 -0.315 0.000 0.762 590 K CB -1.084 31.192 32.500 -0.373 0.000 1.660 590 K HN 0.470 nan 8.250 nan 0.000 0.437 591 T N -1.208 113.158 114.554 -0.313 0.000 2.649 591 T HA 0.103 4.453 4.350 0.000 0.000 0.263 591 T C -1.412 173.044 174.700 -0.406 0.000 2.101 591 T CA -0.881 60.994 62.100 -0.375 0.000 0.946 591 T CB 0.069 68.739 68.868 -0.331 0.000 2.250 591 T HN 0.189 nan 8.240 nan 0.000 0.410 592 Y N 2.364 122.331 120.300 -0.556 0.000 2.757 592 Y HA 0.167 4.717 4.550 0.000 0.000 0.344 592 Y C 1.475 177.190 175.900 -0.309 0.000 1.263 592 Y CA 0.555 58.253 58.100 -0.669 0.000 1.493 592 Y CB 0.194 38.208 38.460 -0.744 0.000 1.342 592 Y HN 0.407 nan 8.280 nan 0.000 0.627 593 H N 5.716 124.864 119.070 0.131 0.000 2.819 593 H HA 0.047 4.604 4.556 0.000 0.000 0.303 593 H C -1.481 173.937 175.328 0.151 0.000 1.058 593 H CA -1.535 54.655 56.048 0.236 0.000 1.471 593 H CB 1.052 31.062 29.762 0.414 0.000 1.480 593 H HN 0.454 nan 8.280 nan 0.000 0.517 594 P HA -0.158 nan 4.420 nan 0.000 0.218 594 P C 1.079 178.556 177.300 0.295 0.000 1.146 594 P CA 1.186 64.464 63.100 0.297 0.000 0.813 594 P CB 0.424 32.400 31.700 0.460 0.000 0.778 595 Q N -1.158 118.786 119.800 0.241 0.000 2.369 595 Q HA 0.010 4.350 4.340 0.000 0.000 0.206 595 Q C 0.733 176.830 176.000 0.162 0.000 0.963 595 Q CA 0.281 56.124 55.803 0.067 0.000 0.894 595 Q CB -0.660 28.005 28.738 -0.121 0.000 0.965 595 Q HN 0.131 nan 8.270 nan 0.000 0.475 596 V N 1.374 121.335 119.914 0.078 0.000 2.572 596 V HA 0.026 4.146 4.120 0.000 0.000 0.291 596 V C -0.223 175.780 176.094 -0.152 0.000 1.039 596 V CA -0.115 62.137 62.300 -0.081 0.000 1.055 596 V CB 0.290 31.819 31.823 -0.491 0.000 0.969 596 V HN 0.247 nan 8.190 nan 0.000 0.482 597 L N 8.254 129.431 121.223 -0.076 0.000 2.515 597 L HA 0.248 4.588 4.340 0.000 0.000 0.281 597 L C 0.054 176.825 176.870 -0.165 0.000 1.131 597 L CA -0.157 54.620 54.840 -0.105 0.000 0.905 597 L CB 0.560 42.596 42.059 -0.039 0.000 1.246 597 L HN 0.642 nan 8.230 nan 0.000 0.463 598 V N -0.003 119.781 119.914 -0.216 0.000 2.716 598 V HA 0.418 4.538 4.120 0.000 0.000 0.304 598 V C 0.606 176.634 176.094 -0.111 0.000 1.053 598 V CA -0.725 61.449 62.300 -0.211 0.000 0.984 598 V CB 1.275 32.941 31.823 -0.262 0.000 1.021 598 V HN 0.584 nan 8.190 nan 0.000 0.467 599 T N 3.092 117.598 114.554 -0.080 0.000 2.817 599 T HA 0.045 4.395 4.350 0.000 0.000 0.295 599 T C 0.139 174.841 174.700 0.003 0.000 0.958 599 T CA 0.251 62.333 62.100 -0.029 0.000 1.157 599 T CB -0.252 68.600 68.868 -0.026 0.000 0.898 599 T HN 0.919 nan 8.240 nan 0.000 0.536 600 D N 2.947 123.371 120.400 0.040 0.000 2.772 600 D HA -0.085 4.555 4.640 0.000 0.000 0.227 600 D C 0.854 177.166 176.300 0.021 0.000 1.114 600 D CA 0.687 54.723 54.000 0.061 0.000 0.832 600 D CB 0.496 41.415 40.800 0.198 0.000 1.154 600 D HN 0.548 nan 8.370 nan 0.000 0.514 601 M N 2.969 122.541 119.600 -0.045 0.000 2.333 601 M HA 0.105 4.585 4.480 0.000 0.000 0.257 601 M C 1.673 177.869 176.300 -0.173 0.000 1.078 601 M CA -0.035 55.226 55.300 -0.066 0.000 1.005 601 M CB 0.564 33.130 32.600 -0.056 0.000 1.444 601 M HN 0.127 nan 8.290 nan 0.000 0.496 602 R N -0.398 119.909 120.500 -0.321 0.000 2.189 602 R HA 0.105 4.445 4.340 0.000 0.000 0.203 602 R C -0.561 175.278 176.300 -0.768 0.000 1.012 602 R CA 0.779 56.484 56.100 -0.659 0.000 1.015 602 R CB 0.557 30.234 30.300 -1.038 0.000 0.938 602 R HN 0.175 nan 8.270 nan 0.000 0.472 603 Y N 0.930 121.188 120.300 -0.069 0.000 2.354 603 Y HA 0.188 4.738 4.550 0.000 0.000 0.330 603 Y C -0.505 175.401 175.900 0.010 0.000 1.011 603 Y CA -1.954 56.096 58.100 -0.084 0.000 1.099 603 Y CB 1.049 39.333 38.460 -0.294 0.000 1.179 603 Y HN 0.011 nan 8.280 nan 0.000 0.442 604 E N 1.178 121.471 120.200 0.156 0.000 2.390 604 E HA 0.218 4.569 4.350 0.000 0.000 0.261 604 E C -0.579 176.115 176.600 0.158 0.000 1.076 604 E CA -0.538 55.940 56.400 0.130 0.000 0.905 604 E CB 0.302 30.058 29.700 0.094 0.000 0.984 604 E HN 0.743 nan 8.360 nan 0.000 0.427 605 N N 0.728 119.503 118.700 0.125 0.000 2.699 605 N HA -0.293 4.447 4.740 0.000 0.000 0.256 605 N C -0.292 175.305 175.510 0.145 0.000 0.993 605 N CA 0.768 53.881 53.050 0.105 0.000 0.759 605 N CB -0.913 37.620 38.487 0.077 0.000 0.906 605 N HN 0.660 nan 8.380 nan 0.000 0.541 606 H N -0.686 118.420 119.070 0.060 0.000 2.855 606 H HA 0.378 4.934 4.556 0.000 0.000 0.259 606 H C 1.128 176.483 175.328 0.045 0.000 0.972 606 H CA 1.396 57.480 56.048 0.060 0.000 1.213 606 H CB 0.772 30.605 29.762 0.118 0.000 1.451 606 H HN 0.464 nan 8.280 nan 0.000 0.484 607 G N -0.075 108.723 108.800 -0.003 0.000 2.280 607 G HA2 0.028 3.988 3.960 0.000 0.000 0.277 607 G HA3 0.028 3.988 3.960 0.000 0.000 0.277 607 G C -1.447 173.459 174.900 0.010 0.000 1.288 607 G CA -0.722 44.344 45.100 -0.056 0.000 1.075 607 G HN 0.308 nan 8.290 nan 0.000 0.480 608 R N 0.029 120.526 120.500 -0.005 0.000 2.744 608 R HA 0.719 5.059 4.340 0.000 0.000 0.279 608 R C -0.791 175.508 176.300 -0.003 0.000 0.977 608 R CA -0.758 55.338 56.100 -0.006 0.000 0.906 608 R CB 2.469 32.751 30.300 -0.030 0.000 1.197 608 R HN 0.606 nan 8.270 nan 0.000 0.463 609 E N 1.437 121.616 120.200 -0.036 0.000 2.408 609 E HA 0.340 4.690 4.350 0.000 0.000 0.275 609 E C -2.722 173.753 176.600 -0.209 0.000 0.935 609 E CA -2.392 53.948 56.400 -0.101 0.000 0.775 609 E CB 2.606 32.310 29.700 0.007 0.000 1.277 609 E HN 0.237 nan 8.360 nan 0.000 0.455 610 P HA -0.035 nan 4.420 nan 0.000 0.267 610 P C 0.351 177.513 177.300 -0.229 0.000 1.200 610 P CA -0.048 62.894 63.100 -0.264 0.000 0.772 610 P CB 0.439 31.969 31.700 -0.284 0.000 0.855 611 M N 4.308 123.802 119.600 -0.176 0.000 2.267 611 M HA -0.127 4.353 4.480 0.000 0.000 0.263 611 M C 1.623 177.837 176.300 -0.144 0.000 1.063 611 M CA 1.578 56.767 55.300 -0.185 0.000 1.090 611 M CB -1.346 31.118 32.600 -0.227 0.000 1.392 611 M HN 0.137 nan 8.290 nan 0.000 0.422 612 V N 0.218 120.065 119.914 -0.111 0.000 2.688 612 V HA -0.257 3.863 4.120 0.000 0.000 0.256 612 V C 2.171 178.096 176.094 -0.280 0.000 1.084 612 V CA 2.397 64.631 62.300 -0.110 0.000 1.103 612 V CB -1.004 30.793 31.823 -0.043 0.000 0.688 612 V HN 0.827 nan 8.190 nan 0.000 0.480 613 T N -1.264 113.054 114.554 -0.394 0.000 2.995 613 T HA -0.158 4.192 4.350 0.000 0.000 0.269 613 T C 1.221 175.807 174.700 -0.191 0.000 1.091 613 T CA 1.323 63.203 62.100 -0.367 0.000 1.128 613 T CB -0.150 68.556 68.868 -0.270 0.000 0.891 613 T HN 0.769 nan 8.240 nan 0.000 0.492 614 Q N -0.436 119.258 119.800 -0.177 0.000 2.038 614 Q HA 0.338 4.678 4.340 0.000 0.000 0.240 614 Q C 1.584 177.485 176.000 -0.165 0.000 0.831 614 Q CA -0.583 55.112 55.803 -0.180 0.000 1.068 614 Q CB 0.026 28.659 28.738 -0.176 0.000 1.241 614 Q HN 0.341 nan 8.270 nan 0.000 0.435 615 R N 1.613 122.026 120.500 -0.145 0.000 2.113 615 R HA -0.135 4.205 4.340 0.000 0.000 0.244 615 R C 0.525 176.738 176.300 -0.145 0.000 1.142 615 R CA 2.138 58.152 56.100 -0.142 0.000 0.953 615 R CB 0.038 30.233 30.300 -0.177 0.000 0.860 615 R HN 0.249 nan 8.270 nan 0.000 0.438 616 N N 0.441 119.030 118.700 -0.184 0.000 2.571 616 N HA -0.056 4.684 4.740 0.000 0.000 0.189 616 N C 1.119 176.498 175.510 -0.219 0.000 1.154 616 N CA 0.512 53.453 53.050 -0.182 0.000 0.907 616 N CB 0.121 38.502 38.487 -0.177 0.000 0.977 616 N HN 0.397 nan 8.380 nan 0.000 0.449 617 I N -0.465 119.966 120.570 -0.232 0.000 3.956 617 I HA -0.046 4.124 4.170 0.000 0.000 0.333 617 I C 1.866 177.951 176.117 -0.053 0.000 1.302 617 I CA 0.071 61.228 61.300 -0.237 0.000 1.122 617 I CB 0.047 37.826 38.000 -0.368 0.000 1.013 617 I HN 0.165 nan 8.210 nan 0.000 0.405 618 H N 1.561 120.575 119.070 -0.093 0.000 2.268 618 H HA -0.087 4.469 4.556 0.000 0.000 0.304 618 H C 2.089 177.349 175.328 -0.113 0.000 1.064 618 H CA 1.965 57.970 56.048 -0.071 0.000 1.316 618 H CB 0.037 29.797 29.762 -0.004 0.000 1.386 618 H HN 0.343 nan 8.280 nan 0.000 0.496 619 A N 0.949 123.887 122.820 0.197 0.000 1.881 619 A HA -0.319 4.001 4.320 0.000 0.000 0.219 619 A C 2.498 180.082 177.584 -0.000 0.000 1.215 619 A CA 2.175 54.278 52.037 0.109 0.000 0.648 619 A CB -1.851 17.233 19.000 0.140 0.000 0.832 619 A HN 0.725 nan 8.150 nan 0.000 0.455 620 Y N 0.870 121.154 120.300 -0.027 0.000 2.069 620 Y HA -0.312 4.238 4.550 0.000 0.000 0.278 620 Y C 2.767 178.554 175.900 -0.188 0.000 1.175 620 Y CA 2.812 60.935 58.100 0.039 0.000 1.134 620 Y CB -0.675 37.860 38.460 0.124 0.000 0.965 620 Y HN 0.347 nan 8.280 nan 0.000 0.498 621 T N 1.442 115.934 114.554 -0.103 0.000 2.674 621 T HA -0.222 4.128 4.350 0.000 0.000 0.265 621 T C 1.712 175.827 174.700 -0.974 0.000 1.039 621 T CA 1.400 63.230 62.100 -0.449 0.000 1.150 621 T CB -0.794 67.775 68.868 -0.500 0.000 0.864 621 T HN 0.384 nan 8.240 nan 0.000 0.427 622 L N 1.437 121.868 121.223 -1.320 0.000 1.976 622 L HA -0.192 4.148 4.340 0.000 0.000 0.223 622 L C 2.574 178.973 176.870 -0.785 0.000 1.081 622 L CA 1.733 55.702 54.840 -1.453 0.000 0.784 622 L CB -1.379 40.175 42.059 -0.841 0.000 0.896 622 L HN 0.344 nan 8.230 nan 0.000 0.438 623 C N -0.031 118.965 119.300 -0.508 0.000 2.349 623 C HA -0.291 4.169 4.460 0.000 0.000 0.274 623 C C 2.747 177.261 174.990 -0.794 0.000 1.178 623 C CA 1.610 60.371 59.018 -0.429 0.000 1.769 623 C CB -1.229 26.372 27.740 -0.232 0.000 2.047 623 C HN 0.775 nan 8.230 nan 0.000 0.448 624 E N 0.457 119.851 120.200 -1.343 0.000 2.114 624 E HA -0.237 4.113 4.350 0.000 0.000 0.199 624 E C 2.083 178.239 176.600 -0.739 0.000 1.008 624 E CA 1.981 57.389 56.400 -1.653 0.000 0.810 624 E CB -0.090 28.849 29.700 -1.268 0.000 0.739 624 E HN 0.680 nan 8.360 nan 0.000 0.456 625 S N -0.105 115.284 115.700 -0.518 0.000 2.348 625 S HA -0.136 4.334 4.470 0.000 0.000 0.221 625 S C 2.081 176.685 174.600 0.007 0.000 1.033 625 S CA 1.601 59.700 58.200 -0.168 0.000 1.010 625 S CB -0.551 62.585 63.200 -0.106 0.000 0.891 625 S HN 0.343 nan 8.310 nan 0.000 0.442 626 T N 1.910 116.497 114.554 0.055 0.000 2.759 626 T HA -0.131 4.219 4.350 0.000 0.000 0.269 626 T C 1.915 176.496 174.700 -0.199 0.000 1.042 626 T CA 1.706 63.802 62.100 -0.007 0.000 1.140 626 T CB -0.211 68.682 68.868 0.042 0.000 0.864 626 T HN 0.314 nan 8.240 nan 0.000 0.455 627 R N 1.608 121.975 120.500 -0.221 0.000 2.055 627 R HA 0.073 4.413 4.340 0.000 0.000 0.228 627 R C 2.261 178.490 176.300 -0.118 0.000 1.143 627 R CA 1.820 57.817 56.100 -0.172 0.000 0.945 627 R CB -0.423 29.770 30.300 -0.179 0.000 0.841 627 R HN 0.358 nan 8.270 nan 0.000 0.429 628 K N -0.033 120.286 120.400 -0.135 0.000 1.980 628 K HA -0.077 4.243 4.320 0.000 0.000 0.208 628 K C 1.513 178.091 176.600 -0.036 0.000 1.043 628 K CA 1.789 58.033 56.287 -0.071 0.000 0.938 628 K CB -0.086 32.369 32.500 -0.074 0.000 0.724 628 K HN 0.133 nan 8.250 nan 0.000 0.438 629 E N -0.481 119.710 120.200 -0.015 0.000 2.502 629 E HA 0.060 4.410 4.350 0.000 0.000 0.194 629 E C 1.153 177.757 176.600 0.007 0.000 1.062 629 E CA 0.630 57.046 56.400 0.027 0.000 0.867 629 E CB 0.753 30.508 29.700 0.091 0.000 0.888 629 E HN 0.558 nan 8.360 nan 0.000 0.510 630 G N -0.004 108.763 108.800 -0.055 0.000 2.765 630 G HA2 0.018 3.978 3.960 0.000 0.000 0.218 630 G HA3 0.018 3.978 3.960 0.000 0.000 0.218 630 G C 1.427 176.317 174.900 -0.017 0.000 1.271 630 G CA -0.188 44.829 45.100 -0.140 0.000 0.865 630 G HN 0.103 nan 8.290 nan 0.000 0.604 631 I N 0.490 121.025 120.570 -0.058 0.000 2.233 631 I HA -0.084 4.086 4.170 0.000 0.000 0.243 631 I C 2.759 178.860 176.117 -0.027 0.000 1.093 631 I CA 0.591 61.879 61.300 -0.020 0.000 1.380 631 I CB 0.090 38.062 38.000 -0.047 0.000 1.067 631 I HN 0.027 nan 8.210 nan 0.000 0.413 632 V N 0.096 119.996 119.914 -0.024 0.000 2.346 632 V HA -0.203 3.917 4.120 0.000 0.000 0.244 632 V C 2.309 178.401 176.094 -0.003 0.000 1.037 632 V CA 1.583 63.873 62.300 -0.016 0.000 1.029 632 V CB -0.598 31.215 31.823 -0.016 0.000 0.663 632 V HN 0.364 nan 8.190 nan 0.000 0.454 633 E N 0.863 121.065 120.200 0.004 0.000 2.077 633 E HA -0.154 4.196 4.350 0.000 0.000 0.193 633 E C 0.454 177.069 176.600 0.026 0.000 0.989 633 E CA 1.176 57.585 56.400 0.015 0.000 0.800 633 E CB -0.039 29.672 29.700 0.019 0.000 0.746 633 E HN 0.583 nan 8.360 nan 0.000 0.452 634 N N -0.444 118.284 118.700 0.046 0.000 2.699 634 N HA 0.181 4.921 4.740 0.000 0.000 0.317 634 N C -0.169 175.382 175.510 0.069 0.000 1.661 634 N CA 0.061 53.155 53.050 0.073 0.000 0.979 634 N CB 1.420 39.974 38.487 0.111 0.000 1.329 634 N HN -0.002 nan 8.380 nan 0.000 0.497 635 A N -0.251 122.576 122.820 0.011 0.000 2.218 635 A HA 0.008 4.328 4.320 0.000 0.000 0.209 635 A C 1.485 179.051 177.584 -0.030 0.000 1.168 635 A CA 0.496 52.506 52.037 -0.045 0.000 0.804 635 A CB 0.164 19.138 19.000 -0.043 0.000 0.834 635 A HN 0.039 nan 8.150 nan 0.000 0.482 636 D N 0.119 120.523 120.400 0.006 0.000 2.219 636 D HA -0.104 4.536 4.640 0.000 0.000 0.205 636 D C 2.089 178.406 176.300 0.027 0.000 0.970 636 D CA 1.915 55.923 54.000 0.013 0.000 0.851 636 D CB -0.177 40.636 40.800 0.021 0.000 0.943 636 D HN 0.604 nan 8.370 nan 0.000 0.488 637 T N -1.835 112.752 114.554 0.055 0.000 3.081 637 T HA 0.103 4.453 4.350 0.000 0.000 0.255 637 T C 1.229 175.986 174.700 0.095 0.000 1.113 637 T CA -0.204 61.959 62.100 0.106 0.000 1.082 637 T CB -0.051 68.925 68.868 0.180 0.000 0.939 637 T HN -0.043 nan 8.240 nan 0.000 0.506 638 L N 2.728 123.927 121.223 -0.040 0.000 2.483 638 L HA 0.195 4.535 4.340 0.000 0.000 0.276 638 L C 2.011 178.884 176.870 0.004 0.000 1.213 638 L CA 0.063 54.837 54.840 -0.111 0.000 0.843 638 L CB 0.783 42.707 42.059 -0.226 0.000 1.107 638 L HN 0.382 nan 8.230 nan 0.000 0.487 639 T N -1.282 113.304 114.554 0.055 0.000 3.246 639 T HA 0.017 4.367 4.350 0.000 0.000 0.231 639 T C 1.516 176.184 174.700 -0.054 0.000 0.986 639 T CA -0.003 62.123 62.100 0.044 0.000 1.340 639 T CB -0.072 68.879 68.868 0.138 0.000 1.063 639 T HN 0.427 nan 8.240 nan 0.000 0.427 640 K N -0.181 120.160 120.400 -0.097 0.000 2.186 640 K HA 0.258 4.578 4.320 0.000 0.000 0.202 640 K C -0.632 175.731 176.600 -0.394 0.000 1.052 640 K CA 0.459 56.575 56.287 -0.286 0.000 0.965 640 K CB 0.183 32.423 32.500 -0.433 0.000 0.746 640 K HN 0.336 nan 8.250 nan 0.000 0.457 641 F N -0.128 119.819 119.950 -0.004 0.000 2.539 641 F HA 0.347 4.874 4.527 0.000 0.000 0.318 641 F C 0.940 176.740 175.800 -0.001 0.000 1.135 641 F CA -0.836 57.190 58.000 0.043 0.000 0.915 641 F CB 1.640 40.754 39.000 0.190 0.000 1.176 641 F HN -0.272 nan 8.300 nan 0.000 0.440 642 R N 1.549 122.112 120.500 0.105 0.000 2.200 642 R HA 0.148 4.488 4.340 0.000 0.000 0.208 642 R C 0.825 177.139 176.300 0.023 0.000 1.033 642 R CA 0.363 56.479 56.100 0.027 0.000 1.000 642 R CB 0.282 30.582 30.300 0.001 0.000 0.906 642 R HN 0.600 nan 8.270 nan 0.000 0.462 643 R N 0.251 120.793 120.500 0.069 0.000 2.500 643 R HA 0.185 4.525 4.340 0.000 0.000 0.277 643 R C -0.884 175.439 176.300 0.038 0.000 1.026 643 R CA -0.028 56.090 56.100 0.031 0.000 1.058 643 R CB 1.558 31.866 30.300 0.013 0.000 1.078 643 R HN -0.031 nan 8.270 nan 0.000 0.509 644 S N 0.851 116.573 115.700 0.037 0.000 2.900 644 S HA 0.632 5.102 4.470 0.000 0.000 0.320 644 S C -2.054 172.660 174.600 0.191 0.000 1.130 644 S CA -0.498 57.771 58.200 0.114 0.000 0.863 644 S CB 1.035 64.274 63.200 0.064 0.000 1.295 644 S HN 0.525 nan 8.310 nan 0.000 0.596 645 Y N 0.067 120.414 120.300 0.079 0.000 2.583 645 Y HA 0.453 5.003 4.550 0.000 0.000 0.330 645 Y C -1.868 174.120 175.900 0.146 0.000 1.185 645 Y CA -0.799 57.320 58.100 0.032 0.000 1.107 645 Y CB 0.776 39.170 38.460 -0.111 0.000 1.344 645 Y HN 0.585 nan 8.280 nan 0.000 0.463 646 I N 6.245 126.593 120.570 -0.370 0.000 2.378 646 I HA 0.358 4.528 4.170 0.000 0.000 0.291 646 I C -0.810 175.099 176.117 -0.347 0.000 0.992 646 I CA -0.957 60.213 61.300 -0.217 0.000 1.154 646 I CB 1.308 39.196 38.000 -0.187 0.000 1.315 646 I HN 0.341 nan 8.210 nan 0.000 0.448 647 I N 4.609 125.059 120.570 -0.199 0.000 2.342 647 I HA 0.282 4.452 4.170 0.000 0.000 0.291 647 I C 0.479 176.612 176.117 0.027 0.000 1.010 647 I CA 0.068 61.193 61.300 -0.292 0.000 1.308 647 I CB 1.195 38.752 38.000 -0.739 0.000 1.400 647 I HN 0.542 nan 8.210 nan 0.000 0.488 648 S N 5.781 121.527 115.700 0.076 0.000 2.566 648 S HA 0.511 4.981 4.470 0.000 0.000 0.298 648 S C 0.817 175.435 174.600 0.031 0.000 1.083 648 S CA -0.621 57.686 58.200 0.178 0.000 0.978 648 S CB 1.925 65.150 63.200 0.042 0.000 1.073 648 S HN 0.690 nan 8.310 nan 0.000 0.491 649 R N 1.567 121.946 120.500 -0.201 0.000 2.189 649 R HA 0.251 4.591 4.340 0.000 0.000 0.203 649 R C 0.917 177.042 176.300 -0.292 0.000 1.012 649 R CA 0.618 56.259 56.100 -0.765 0.000 1.015 649 R CB -0.116 29.550 30.300 -1.057 0.000 0.938 649 R HN 0.682 nan 8.270 nan 0.000 0.472 650 G N -0.969 107.795 108.800 -0.060 0.000 2.489 650 G HA2 0.602 4.562 3.960 0.000 0.000 0.327 650 G HA3 0.602 4.562 3.960 0.000 0.000 0.327 650 G C -0.830 174.186 174.900 0.192 0.000 1.189 650 G CA -0.091 45.063 45.100 0.089 0.000 0.962 650 G HN 0.347 nan 8.290 nan 0.000 0.486 651 G N -1.568 107.402 108.800 0.285 0.000 2.356 651 G HA2 0.486 4.446 3.960 0.000 0.000 0.300 651 G HA3 0.486 4.446 3.960 0.000 0.000 0.300 651 G C -2.055 172.943 174.900 0.163 0.000 1.331 651 G CA -0.431 44.888 45.100 0.365 0.000 0.905 651 G HN 1.227 nan 8.290 nan 0.000 0.587 652 Y N -0.401 119.886 120.300 -0.022 0.000 2.698 652 Y HA 0.734 5.284 4.550 0.000 0.000 0.332 652 Y C 0.213 175.932 175.900 -0.302 0.000 1.119 652 Y CA -1.741 56.149 58.100 -0.350 0.000 1.109 652 Y CB 1.293 39.636 38.460 -0.196 0.000 1.308 652 Y HN 0.586 nan 8.280 nan 0.000 0.499 653 I N 3.128 122.989 120.570 -1.182 0.000 2.752 653 I HA 0.153 4.323 4.170 0.000 0.000 0.286 653 I C 1.032 176.888 176.117 -0.436 0.000 1.180 653 I CA 1.893 62.704 61.300 -0.815 0.000 1.404 653 I CB -0.442 36.946 38.000 -1.021 0.000 1.389 653 I HN 0.931 nan 8.210 nan 0.000 0.549 654 G N 5.337 113.977 108.800 -0.266 0.000 2.227 654 G HA2 -0.217 3.743 3.960 0.000 0.000 0.168 654 G HA3 -0.217 3.743 3.960 0.000 0.000 0.168 654 G C 0.840 175.524 174.900 -0.360 0.000 1.006 654 G CA -0.283 44.715 45.100 -0.170 0.000 0.684 654 G HN 0.587 nan 8.290 nan 0.000 0.489 655 N N 0.899 119.450 118.700 -0.250 0.000 2.520 655 N HA -0.093 4.647 4.740 0.000 0.000 0.185 655 N C 2.340 177.523 175.510 -0.546 0.000 1.068 655 N CA 1.216 54.013 53.050 -0.422 0.000 0.911 655 N CB 0.003 38.515 38.487 0.041 0.000 0.961 655 N HN 0.759 nan 8.380 nan 0.000 0.446 656 Q N 0.168 119.642 119.800 -0.543 0.000 2.364 656 Q HA -0.154 4.186 4.340 0.000 0.000 0.207 656 Q C 0.359 175.970 176.000 -0.649 0.000 0.970 656 Q CA 1.418 56.895 55.803 -0.543 0.000 0.888 656 Q CB -0.738 27.674 28.738 -0.543 0.000 0.951 656 Q HN 0.566 nan 8.270 nan 0.000 0.469 657 H N -1.160 117.506 119.070 -0.673 0.000 2.547 657 H HA 0.114 4.670 4.556 0.000 0.000 0.266 657 H C 0.157 175.272 175.328 -0.356 0.000 0.988 657 H CA 0.487 56.198 56.048 -0.561 0.000 1.147 657 H CB 0.260 29.693 29.762 -0.550 0.000 1.365 657 H HN 0.222 nan 8.280 nan 0.000 0.589 658 F N -1.427 118.402 119.950 -0.201 0.000 2.789 658 F HA 0.470 4.997 4.527 0.000 0.000 0.320 658 F C 1.325 176.870 175.800 -0.426 0.000 1.079 658 F CA 0.418 58.259 58.000 -0.266 0.000 1.205 658 F CB 0.661 39.483 39.000 -0.296 0.000 1.046 658 F HN 0.131 nan 8.300 nan 0.000 0.586 659 G N -0.490 108.061 108.800 -0.414 0.000 2.350 659 G HA2 0.392 4.352 3.960 0.000 0.000 0.276 659 G HA3 0.392 4.352 3.960 0.000 0.000 0.276 659 G C -0.425 174.127 174.900 -0.581 0.000 1.313 659 G CA -0.364 44.119 45.100 -1.028 0.000 0.903 659 G HN 0.381 nan 8.290 nan 0.000 0.490 660 G N -1.352 107.123 108.800 -0.541 0.000 2.736 660 G HA2 0.738 4.698 3.960 0.000 0.000 0.229 660 G HA3 0.738 4.698 3.960 0.000 0.000 0.229 660 G C -0.250 174.512 174.900 -0.231 0.000 1.380 660 G CA -0.571 44.419 45.100 -0.183 0.000 1.040 660 G HN 0.721 nan 8.290 nan 0.000 0.568 661 M N -0.811 118.673 119.600 -0.194 0.000 2.578 661 M HA 0.331 4.811 4.480 0.000 0.000 0.276 661 M C -1.995 174.302 176.300 -0.005 0.000 1.245 661 M CA -0.320 54.894 55.300 -0.144 0.000 0.871 661 M CB 2.715 35.153 32.600 -0.270 0.000 1.722 661 M HN 0.875 nan 8.290 nan 0.000 0.473 662 W N 0.498 121.693 121.300 -0.175 0.000 2.844 662 W HA 0.718 5.378 4.660 0.000 0.000 0.340 662 W C -1.127 175.359 176.519 -0.054 0.000 1.093 662 W CA -1.009 56.323 57.345 -0.021 0.000 1.212 662 W CB 0.647 30.155 29.460 0.080 0.000 1.422 662 W HN 0.255 nan 8.180 nan 0.000 0.515 663 V N 6.228 126.109 119.914 -0.054 0.000 3.111 663 V HA 0.252 4.372 4.120 0.000 0.000 0.381 663 V C 1.445 177.358 176.094 -0.302 0.000 1.387 663 V CA 0.888 63.084 62.300 -0.174 0.000 1.550 663 V CB -1.435 30.439 31.823 0.086 0.000 1.305 663 V HN 1.217 nan 8.190 nan 0.000 0.494 664 G N 1.844 109.993 108.800 -1.085 0.000 2.627 664 G HA2 -0.299 3.661 3.960 0.000 0.000 0.312 664 G HA3 -0.299 3.661 3.960 0.000 0.000 0.312 664 G C 0.033 174.893 174.900 -0.067 0.000 1.299 664 G CA 0.445 44.955 45.100 -0.984 0.000 0.989 664 G HN 0.544 nan 8.290 nan 0.000 0.547 665 D N 2.675 123.106 120.400 0.053 0.000 2.631 665 D HA 0.223 4.863 4.640 0.000 0.000 0.227 665 D C 1.242 177.646 176.300 0.173 0.000 1.146 665 D CA -0.007 54.060 54.000 0.111 0.000 1.009 665 D CB -0.402 40.455 40.800 0.095 0.000 1.057 665 D HN 0.557 nan 8.370 nan 0.000 0.509 666 N N -0.098 118.707 118.700 0.174 0.000 2.240 666 N HA 0.014 4.754 4.740 0.000 0.000 0.250 666 N C 0.120 175.485 175.510 -0.242 0.000 1.316 666 N CA -0.217 52.803 53.050 -0.050 0.000 0.894 666 N CB 0.540 39.210 38.487 0.305 0.000 1.101 666 N HN 0.087 nan 8.380 nan 0.000 0.491 667 S N -3.465 111.740 115.700 -0.825 0.000 2.903 667 S HA 0.540 5.010 4.470 0.000 0.000 0.314 667 S C -1.192 173.146 174.600 -0.438 0.000 1.177 667 S CA -0.692 57.096 58.200 -0.687 0.000 0.859 667 S CB 0.457 63.103 63.200 -0.924 0.000 1.265 667 S HN 0.601 nan 8.310 nan 0.000 0.584 668 T N 1.958 116.357 114.554 -0.259 0.000 3.368 668 T HA 0.496 4.846 4.350 0.000 0.000 0.321 668 T C -0.430 174.163 174.700 -0.177 0.000 1.830 668 T CA -0.371 61.624 62.100 -0.175 0.000 1.494 668 T CB -0.400 68.214 68.868 -0.422 0.000 1.045 668 T HN 0.702 nan 8.240 nan 0.000 0.729 669 T N -2.423 112.136 114.554 0.008 0.000 2.896 669 T HA 0.437 4.787 4.350 0.000 0.000 0.297 669 T C 1.284 175.969 174.700 -0.024 0.000 1.108 669 T CA -0.692 61.444 62.100 0.060 0.000 1.004 669 T CB 1.692 70.687 68.868 0.212 0.000 1.159 669 T HN -0.100 nan 8.240 nan 0.000 0.499 670 S N 0.912 116.549 115.700 -0.105 0.000 2.402 670 S HA -0.151 4.319 4.470 0.000 0.000 0.233 670 S C 1.724 176.077 174.600 -0.411 0.000 1.030 670 S CA 1.820 59.823 58.200 -0.327 0.000 1.003 670 S CB -0.706 62.245 63.200 -0.414 0.000 0.813 670 S HN 0.808 nan 8.310 nan 0.000 0.477 671 N N -0.682 117.877 118.700 -0.235 0.000 2.512 671 N HA -0.020 4.720 4.740 0.000 0.000 0.183 671 N C 0.786 176.077 175.510 -0.365 0.000 1.073 671 N CA 0.638 53.529 53.050 -0.264 0.000 0.911 671 N CB -0.027 38.384 38.487 -0.126 0.000 0.964 671 N HN 0.475 nan 8.380 nan 0.000 0.447 672 Y N 0.062 120.229 120.300 -0.222 0.000 2.478 672 Y HA 0.247 4.797 4.550 0.000 0.000 0.261 672 Y C 1.761 177.586 175.900 -0.126 0.000 1.127 672 Y CA -0.077 57.956 58.100 -0.110 0.000 1.288 672 Y CB 0.344 38.812 38.460 0.014 0.000 1.084 672 Y HN 0.038 nan 8.280 nan 0.000 0.530 673 I N -0.350 120.080 120.570 -0.233 0.000 2.439 673 I HA -0.247 3.923 4.170 0.000 0.000 0.251 673 I C 1.807 177.830 176.117 -0.156 0.000 1.139 673 I CA 1.225 62.318 61.300 -0.345 0.000 1.438 673 I CB -0.198 37.465 38.000 -0.562 0.000 1.085 673 I HN 0.278 nan 8.210 nan 0.000 0.427 674 Q N 0.444 120.137 119.800 -0.177 0.000 2.046 674 Q HA -0.138 4.203 4.340 0.000 0.000 0.200 674 Q C 2.305 178.291 176.000 -0.024 0.000 0.975 674 Q CA 1.454 57.203 55.803 -0.090 0.000 0.836 674 Q CB -0.129 28.558 28.738 -0.086 0.000 0.896 674 Q HN 0.451 nan 8.270 nan 0.000 0.428 675 M N 0.067 119.624 119.600 -0.072 0.000 2.279 675 M HA -0.166 4.314 4.480 0.000 0.000 0.264 675 M C 2.287 178.628 176.300 0.069 0.000 1.062 675 M CA 1.168 56.459 55.300 -0.016 0.000 1.099 675 M CB -0.182 32.361 32.600 -0.095 0.000 1.394 675 M HN 0.371 nan 8.290 nan 0.000 0.426 676 M N 0.648 120.309 119.600 0.103 0.000 2.123 676 M HA -0.164 4.316 4.480 0.000 0.000 0.263 676 M C 1.851 178.174 176.300 0.038 0.000 1.069 676 M CA 1.846 57.226 55.300 0.134 0.000 1.133 676 M CB -0.129 32.602 32.600 0.219 0.000 1.356 676 M HN 0.175 nan 8.290 nan 0.000 0.415 677 I N 0.954 121.518 120.570 -0.009 0.000 2.202 677 I HA -0.196 3.974 4.170 0.000 0.000 0.242 677 I C 2.838 178.904 176.117 -0.085 0.000 1.091 677 I CA 1.154 62.392 61.300 -0.105 0.000 1.368 677 I CB -0.989 36.971 38.000 -0.066 0.000 1.058 677 I HN 0.415 nan 8.210 nan 0.000 0.410 678 A N 1.357 124.176 122.820 -0.003 0.000 1.851 678 A HA -0.280 4.040 4.320 0.000 0.000 0.216 678 A C 2.095 179.690 177.584 0.020 0.000 1.195 678 A CA 2.480 54.536 52.037 0.031 0.000 0.622 678 A CB -1.312 17.733 19.000 0.074 0.000 0.831 678 A HN 0.501 nan 8.150 nan 0.000 0.444 679 N N -0.327 118.385 118.700 0.020 0.000 2.137 679 N HA -0.201 4.539 4.740 0.000 0.000 0.190 679 N C 1.835 177.344 175.510 -0.001 0.000 1.017 679 N CA 1.124 54.181 53.050 0.013 0.000 0.859 679 N CB -0.185 38.308 38.487 0.011 0.000 1.002 679 N HN 0.549 nan 8.380 nan 0.000 0.428 680 N N 1.407 120.094 118.700 -0.021 0.000 2.142 680 N HA -0.058 4.682 4.740 0.000 0.000 0.186 680 N C 1.649 177.123 175.510 -0.060 0.000 1.023 680 N CA 0.787 53.811 53.050 -0.043 0.000 0.852 680 N CB 0.083 38.523 38.487 -0.079 0.000 0.998 680 N HN 0.255 nan 8.380 nan 0.000 0.424 681 I N 1.022 121.546 120.570 -0.077 0.000 2.179 681 I HA -0.243 3.927 4.170 0.000 0.000 0.242 681 I C 1.769 177.907 176.117 0.035 0.000 1.088 681 I CA 0.885 62.164 61.300 -0.035 0.000 1.357 681 I CB -0.447 37.541 38.000 -0.019 0.000 1.051 681 I HN 0.072 nan 8.210 nan 0.000 0.409 682 N N 0.612 119.348 118.700 0.060 0.000 2.120 682 N HA -0.123 4.617 4.740 0.000 0.000 0.188 682 N C 1.845 177.418 175.510 0.106 0.000 1.024 682 N CA 1.303 54.418 53.050 0.109 0.000 0.852 682 N CB -0.229 38.325 38.487 0.112 0.000 1.003 682 N HN 0.229 nan 8.380 nan 0.000 0.424 683 M N 0.758 120.385 119.600 0.046 0.000 2.175 683 M HA -0.057 4.423 4.480 0.000 0.000 0.264 683 M C 1.534 177.825 176.300 -0.016 0.000 1.063 683 M CA 0.819 56.119 55.300 0.000 0.000 1.119 683 M CB -0.901 31.643 32.600 -0.093 0.000 1.377 683 M HN 0.179 nan 8.290 nan 0.000 0.415 684 N N 1.032 119.728 118.700 -0.007 0.000 2.043 684 N HA -0.153 4.587 4.740 0.000 0.000 0.193 684 N C 1.683 177.203 175.510 0.015 0.000 1.037 684 N CA 1.765 54.806 53.050 -0.015 0.000 0.851 684 N CB -0.302 38.181 38.487 -0.006 0.000 1.027 684 N HN 0.524 nan 8.380 nan 0.000 0.422 685 M N -0.919 118.731 119.600 0.084 0.000 2.659 685 M HA 0.165 4.645 4.480 0.000 0.000 0.243 685 M C 0.861 177.321 176.300 0.266 0.000 1.111 685 M CA 1.007 56.409 55.300 0.170 0.000 1.070 685 M CB 0.208 32.925 32.600 0.196 0.000 1.525 685 M HN -0.198 nan 8.290 nan 0.000 0.517 686 S N -0.203 115.590 115.700 0.155 0.000 2.631 686 S HA 0.139 4.609 4.470 0.000 0.000 0.217 686 S C 0.727 175.205 174.600 -0.204 0.000 0.958 686 S CA 0.166 58.398 58.200 0.054 0.000 0.920 686 S CB -0.563 62.747 63.200 0.184 0.000 0.776 686 S HN 0.778 nan 8.310 nan 0.000 0.517 687 C N 1.041 120.223 119.300 -0.196 0.000 4.657 687 C HA -0.098 4.362 4.460 0.000 0.000 0.259 687 C C -0.105 174.711 174.990 -0.290 0.000 1.235 687 C CA -0.144 58.683 59.018 -0.318 0.000 1.733 687 C CB -2.060 25.319 27.740 -0.601 0.000 1.495 687 C HN 0.569 nan 8.230 nan 0.000 0.704 688 L N 2.259 123.359 121.223 -0.204 0.000 2.366 688 L HA 0.393 4.733 4.340 0.000 0.000 0.266 688 L C -1.151 175.619 176.870 -0.167 0.000 1.010 688 L CA -1.311 53.395 54.840 -0.225 0.000 0.879 688 L CB 1.259 43.137 42.059 -0.301 0.000 1.228 688 L HN -0.045 nan 8.230 nan 0.000 0.439 689 P HA -0.084 nan 4.420 nan 0.000 0.213 689 P C 0.860 178.146 177.300 -0.023 0.000 1.176 689 P CA 0.435 63.493 63.100 -0.071 0.000 0.894 689 P CB 0.736 32.394 31.700 -0.070 0.000 0.771 690 L N 0.998 122.217 121.223 -0.008 0.000 2.574 690 L HA 0.167 4.507 4.340 0.000 0.000 0.281 690 L C -0.052 176.833 176.870 0.025 0.000 1.212 690 L CA 0.048 54.909 54.840 0.034 0.000 1.082 690 L CB -0.496 41.571 42.059 0.013 0.000 1.362 690 L HN -0.176 nan 8.230 nan 0.000 0.451 691 V N 3.524 123.486 119.914 0.080 0.000 3.182 691 V HA 1.024 5.144 4.120 0.000 0.000 0.308 691 V C -0.094 176.143 176.094 0.239 0.000 1.240 691 V CA 0.227 62.585 62.300 0.096 0.000 1.063 691 V CB 2.321 34.133 31.823 -0.019 0.000 1.076 691 V HN 0.662 nan 8.190 nan 0.000 0.446 692 G N 1.144 110.124 108.800 0.299 0.000 2.322 692 G HA2 0.527 4.487 3.960 0.000 0.000 0.295 692 G HA3 0.527 4.487 3.960 0.000 0.000 0.295 692 G C -1.568 173.577 174.900 0.407 0.000 1.369 692 G CA -0.006 45.307 45.100 0.354 0.000 0.821 692 G HN 0.958 nan 8.290 nan 0.000 0.536 693 S N 0.012 115.940 115.700 0.381 0.000 2.536 693 S HA 0.533 5.003 4.470 0.000 0.000 0.287 693 S C -1.145 173.675 174.600 0.365 0.000 1.101 693 S CA -0.764 57.682 58.200 0.411 0.000 0.950 693 S CB 1.749 65.183 63.200 0.391 0.000 1.056 693 S HN 0.587 nan 8.310 nan 0.000 0.481 694 D N 2.376 123.007 120.400 0.386 0.000 2.661 694 D HA -0.029 4.611 4.640 0.000 0.000 0.244 694 D C 0.042 176.373 176.300 0.052 0.000 1.196 694 D CA 0.545 54.695 54.000 0.251 0.000 0.881 694 D CB 0.006 41.003 40.800 0.328 0.000 1.141 694 D HN 0.255 nan 8.370 nan 0.000 0.530 695 I N 2.116 122.682 120.570 -0.005 0.000 2.505 695 I HA 0.164 4.334 4.170 0.000 0.000 0.287 695 I C 1.768 177.599 176.117 -0.477 0.000 1.104 695 I CA 0.599 61.787 61.300 -0.186 0.000 1.387 695 I CB 0.026 38.047 38.000 0.036 0.000 1.404 695 I HN 0.704 nan 8.210 nan 0.000 0.528 696 G N 4.537 112.528 108.800 -1.349 0.000 2.218 696 G HA2 -0.039 3.921 3.960 0.000 0.000 0.216 696 G HA3 -0.039 3.921 3.960 0.000 0.000 0.216 696 G C 0.607 175.117 174.900 -0.651 0.000 0.994 696 G CA 0.118 44.634 45.100 -0.974 0.000 0.637 696 G HN 1.537 nan 8.290 nan 0.000 0.505 697 G N -1.202 107.299 108.800 -0.498 0.000 2.999 697 G HA2 0.160 4.120 3.960 0.000 0.000 0.686 697 G HA3 0.160 4.120 3.960 0.000 0.000 0.686 697 G C 0.225 175.141 174.900 0.027 0.000 1.057 697 G CA 0.184 45.225 45.100 -0.098 0.000 0.784 697 G HN 1.535 nan 8.290 nan 0.000 0.575 698 F N 2.694 122.636 119.950 -0.013 0.000 2.022 698 F HA 0.165 4.692 4.527 0.000 0.000 0.293 698 F C 2.258 178.107 175.800 0.082 0.000 1.142 698 F CA 2.341 60.368 58.000 0.044 0.000 1.177 698 F CB -0.501 38.554 39.000 0.091 0.000 0.982 698 F HN 0.979 nan 8.300 nan 0.000 0.473 699 T N -0.288 114.264 114.554 -0.004 0.000 2.849 699 T HA 0.327 4.677 4.350 0.000 0.000 0.284 699 T C 0.357 175.052 174.700 -0.010 0.000 1.004 699 T CA -0.521 61.520 62.100 -0.098 0.000 1.021 699 T CB 0.792 69.709 68.868 0.082 0.000 1.013 699 T HN 0.255 nan 8.240 nan 0.000 0.527 700 S N 1.072 116.787 115.700 0.025 0.000 2.563 700 S HA 0.155 4.625 4.470 0.000 0.000 0.284 700 S C 0.352 175.035 174.600 0.139 0.000 1.331 700 S CA -0.125 58.130 58.200 0.092 0.000 1.047 700 S CB -0.193 63.040 63.200 0.055 0.000 0.859 700 S HN 0.959 nan 8.310 nan 0.000 0.514 701 Y N -0.753 119.530 120.300 -0.028 0.000 2.585 701 Y HA 0.418 4.968 4.550 0.000 0.000 0.272 701 Y C 0.314 176.219 175.900 0.009 0.000 1.119 701 Y CA -0.725 57.366 58.100 -0.015 0.000 1.255 701 Y CB -0.101 38.347 38.460 -0.020 0.000 1.284 701 Y HN 0.443 nan 8.280 nan 0.000 0.499 702 D N 2.290 122.127 120.400 -0.938 0.000 2.450 702 D HA -0.037 4.603 4.640 0.000 0.000 0.247 702 D C 0.307 176.457 176.300 -0.251 0.000 1.162 702 D CA 0.434 54.050 54.000 -0.640 0.000 0.879 702 D CB 0.647 41.063 40.800 -0.640 0.000 1.163 702 D HN 0.365 nan 8.370 nan 0.000 0.472 703 N N 2.554 121.168 118.700 -0.144 0.000 2.422 703 N HA -0.061 4.679 4.740 0.000 0.000 0.181 703 N C 1.040 176.512 175.510 -0.063 0.000 1.080 703 N CA 0.273 53.284 53.050 -0.065 0.000 0.893 703 N CB 0.506 38.982 38.487 -0.017 0.000 0.973 703 N HN 0.547 nan 8.380 nan 0.000 0.456 704 E N 0.081 120.227 120.200 -0.089 0.000 2.057 704 E HA 0.004 4.354 4.350 0.000 0.000 0.190 704 E C 0.254 176.802 176.600 -0.087 0.000 0.969 704 E CA 0.628 56.984 56.400 -0.074 0.000 0.812 704 E CB -0.134 29.522 29.700 -0.073 0.000 0.777 704 E HN 0.092 nan 8.360 nan 0.000 0.455 705 N N 0.497 119.122 118.700 -0.125 0.000 2.549 705 N HA 0.006 4.746 4.740 0.000 0.000 0.290 705 N C 0.426 175.842 175.510 -0.155 0.000 1.122 705 N CA -0.134 52.840 53.050 -0.128 0.000 0.885 705 N CB 1.496 39.898 38.487 -0.143 0.000 1.455 705 N HN -0.032 nan 8.380 nan 0.000 0.521 706 Q N 2.174 121.916 119.800 -0.096 0.000 2.217 706 Q HA -0.201 4.139 4.340 0.000 0.000 0.209 706 Q C 0.740 176.703 176.000 -0.063 0.000 0.988 706 Q CA 1.396 57.160 55.803 -0.065 0.000 0.878 706 Q CB -0.103 28.660 28.738 0.041 0.000 0.909 706 Q HN 0.514 nan 8.270 nan 0.000 0.424 707 R N 0.816 121.258 120.500 -0.096 0.000 2.328 707 R HA 0.027 4.367 4.340 0.000 0.000 0.207 707 R C 0.152 176.359 176.300 -0.154 0.000 1.056 707 R CA 0.826 56.850 56.100 -0.127 0.000 1.016 707 R CB -0.288 29.823 30.300 -0.314 0.000 0.872 707 R HN 0.223 nan 8.270 nan 0.000 0.471 708 T N 3.581 118.030 114.554 -0.175 0.000 2.853 708 T HA 0.117 4.467 4.350 0.000 0.000 0.298 708 T C -2.291 172.383 174.700 -0.043 0.000 0.978 708 T CA -1.028 60.976 62.100 -0.160 0.000 1.152 708 T CB 1.106 69.848 68.868 -0.210 0.000 0.914 708 T HN 0.006 nan 8.240 nan 0.000 0.539 709 P HA 0.236 nan 4.420 nan 0.000 0.282 709 P C 0.186 177.567 177.300 0.135 0.000 1.249 709 P CA -1.014 62.013 63.100 -0.121 0.000 0.806 709 P CB 0.322 31.627 31.700 -0.659 0.000 0.984 710 C N 3.522 122.843 119.300 0.035 0.000 2.334 710 C HA 0.088 4.548 4.460 0.000 0.000 0.395 710 C C 1.270 176.277 174.990 0.028 0.000 1.507 710 C CA 0.647 59.558 59.018 -0.178 0.000 1.494 710 C CB -1.786 25.824 27.740 -0.217 0.000 2.509 710 C HN 0.822 nan 8.230 nan 0.000 0.599 711 T N 3.821 118.380 114.554 0.009 0.000 2.855 711 T HA 0.343 4.693 4.350 0.000 0.000 0.314 711 T C 1.440 176.147 174.700 0.011 0.000 1.077 711 T CA 0.377 62.530 62.100 0.089 0.000 1.095 711 T CB 1.081 69.998 68.868 0.081 0.000 0.987 711 T HN 1.276 nan 8.240 nan 0.000 0.546 712 G N 1.431 110.273 108.800 0.070 0.000 2.476 712 G HA2 -0.290 3.670 3.960 0.000 0.000 0.218 712 G HA3 -0.290 3.670 3.960 0.000 0.000 0.218 712 G C 1.148 175.959 174.900 -0.148 0.000 1.164 712 G CA 1.271 46.317 45.100 -0.091 0.000 0.768 712 G HN 0.979 nan 8.290 nan 0.000 0.560 713 D N -0.218 120.153 120.400 -0.049 0.000 2.084 713 D HA -0.120 4.520 4.640 0.000 0.000 0.194 713 D C 2.368 178.633 176.300 -0.058 0.000 0.990 713 D CA 1.055 55.031 54.000 -0.041 0.000 0.826 713 D CB -0.309 40.493 40.800 0.002 0.000 0.971 713 D HN 0.157 nan 8.370 nan 0.000 0.453 714 L N -0.045 121.150 121.223 -0.047 0.000 2.043 714 L HA -0.147 4.193 4.340 0.000 0.000 0.212 714 L C 2.320 179.187 176.870 -0.006 0.000 1.075 714 L CA 1.979 56.792 54.840 -0.044 0.000 0.752 714 L CB -0.723 41.304 42.059 -0.052 0.000 0.891 714 L HN 0.276 nan 8.230 nan 0.000 0.432 715 M N -1.429 118.119 119.600 -0.085 0.000 2.080 715 M HA -0.166 4.314 4.480 0.000 0.000 0.260 715 M C 2.089 178.336 176.300 -0.088 0.000 1.068 715 M CA 2.102 57.329 55.300 -0.122 0.000 1.109 715 M CB -0.727 31.579 32.600 -0.490 0.000 1.342 715 M HN 0.071 nan 8.290 nan 0.000 0.405 716 V N 1.032 120.856 119.914 -0.150 0.000 2.250 716 V HA -0.360 3.760 4.120 0.000 0.000 0.250 716 V C 2.629 178.651 176.094 -0.119 0.000 1.060 716 V CA 2.225 64.445 62.300 -0.133 0.000 1.030 716 V CB -0.934 30.812 31.823 -0.127 0.000 0.643 716 V HN 0.471 nan 8.190 nan 0.000 0.445 717 R N -1.469 118.980 120.500 -0.085 0.000 2.152 717 R HA -0.124 4.216 4.340 0.000 0.000 0.232 717 R C 2.020 178.299 176.300 -0.034 0.000 1.117 717 R CA 1.205 57.252 56.100 -0.088 0.000 0.981 717 R CB -0.983 29.266 30.300 -0.084 0.000 0.870 717 R HN 0.582 nan 8.270 nan 0.000 0.451 718 Y N 0.432 120.695 120.300 -0.062 0.000 2.200 718 Y HA -0.122 4.428 4.550 0.000 0.000 0.290 718 Y C 2.368 178.306 175.900 0.062 0.000 1.137 718 Y CA 0.855 58.956 58.100 0.001 0.000 1.163 718 Y CB -0.129 38.325 38.460 -0.010 0.000 0.988 718 Y HN -0.259 nan 8.280 nan 0.000 0.518 719 V N -0.112 119.940 119.914 0.229 0.000 2.488 719 V HA -0.262 3.858 4.120 0.000 0.000 0.246 719 V C 2.028 178.216 176.094 0.156 0.000 1.046 719 V CA 1.707 64.175 62.300 0.281 0.000 1.053 719 V CB -0.477 31.454 31.823 0.181 0.000 0.679 719 V HN 0.412 nan 8.190 nan 0.000 0.458 720 Q N 0.321 120.069 119.800 -0.087 0.000 1.993 720 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 720 Q C 2.503 178.546 176.000 0.072 0.000 0.984 720 Q CA 1.861 57.545 55.803 -0.198 0.000 0.837 720 Q CB -0.535 27.941 28.738 -0.436 0.000 0.902 720 Q HN 0.612 nan 8.270 nan 0.000 0.423 721 A N 1.191 124.061 122.820 0.084 0.000 1.917 721 A HA -0.171 4.149 4.320 0.000 0.000 0.219 721 A C 2.247 179.942 177.584 0.186 0.000 1.182 721 A CA 1.914 54.046 52.037 0.158 0.000 0.633 721 A CB -1.158 17.899 19.000 0.095 0.000 0.819 721 A HN 0.514 nan 8.150 nan 0.000 0.448 722 G N -1.166 107.739 108.800 0.175 0.000 2.813 722 G HA2 -0.032 3.928 3.960 0.000 0.000 0.209 722 G HA3 -0.032 3.928 3.960 0.000 0.000 0.209 722 G C 1.375 176.134 174.900 -0.235 0.000 1.150 722 G CA 0.997 46.178 45.100 0.134 0.000 0.785 722 G HN 1.000 nan 8.290 nan 0.000 0.535 723 C N -0.978 118.150 119.300 -0.288 0.000 2.511 723 C HA 0.498 4.958 4.460 0.000 0.000 0.277 723 C C 1.524 176.289 174.990 -0.375 0.000 1.451 723 C CA -0.137 58.450 59.018 -0.718 0.000 1.735 723 C CB -1.117 26.615 27.740 -0.013 0.000 1.704 723 C HN 0.250 nan 8.230 nan 0.000 0.571 724 L N -0.747 120.417 121.223 -0.098 0.000 3.664 724 L HA 0.364 4.704 4.340 0.000 0.000 0.341 724 L C 0.113 177.084 176.870 0.167 0.000 1.247 724 L CA -0.163 54.728 54.840 0.084 0.000 1.133 724 L CB 0.078 42.264 42.059 0.212 0.000 1.498 724 L HN 0.205 nan 8.230 nan 0.000 0.628 725 L N 0.769 122.065 121.223 0.122 0.000 2.453 725 L HA 0.193 4.533 4.340 0.000 0.000 0.261 725 L C -1.042 175.946 176.870 0.196 0.000 1.179 725 L CA -1.479 53.448 54.840 0.144 0.000 0.813 725 L CB 0.238 42.356 42.059 0.097 0.000 1.110 725 L HN -0.213 nan 8.230 nan 0.000 0.466 726 P HA -0.235 nan 4.420 nan 0.000 0.214 726 P C -0.328 177.169 177.300 0.328 0.000 1.172 726 P CA 1.434 64.731 63.100 0.329 0.000 0.925 726 P CB 0.049 31.888 31.700 0.231 0.000 0.793 727 W N 0.199 121.556 121.300 0.095 0.000 2.278 727 W HA 0.378 5.038 4.660 0.000 0.000 0.317 727 W C -1.532 175.150 176.519 0.272 0.000 1.030 727 W CA -0.944 56.455 57.345 0.090 0.000 1.334 727 W CB 0.481 29.964 29.460 0.038 0.000 1.215 727 W HN -0.220 nan 8.180 nan 0.000 0.405 728 F N 8.009 127.738 119.950 -0.369 0.000 2.308 728 F HA 0.453 4.980 4.527 0.000 0.000 0.370 728 F C -0.553 174.980 175.800 -0.445 0.000 1.100 728 F CA -1.254 56.625 58.000 -0.201 0.000 1.108 728 F CB 0.472 39.528 39.000 0.093 0.000 1.293 728 F HN 0.439 nan 8.300 nan 0.000 0.478 729 R N 4.844 125.096 120.500 -0.414 0.000 2.522 729 R HA 0.291 4.631 4.340 0.000 0.000 0.283 729 R C -1.673 174.551 176.300 -0.128 0.000 1.074 729 R CA -0.652 55.174 56.100 -0.457 0.000 0.925 729 R CB 1.128 30.995 30.300 -0.722 0.000 1.205 729 R HN 0.541 nan 8.270 nan 0.000 0.436 730 N N 3.795 122.493 118.700 -0.004 0.000 2.420 730 N HA 0.133 4.873 4.740 0.000 0.000 0.249 730 N C -1.565 174.070 175.510 0.208 0.000 1.033 730 N CA 0.066 53.192 53.050 0.127 0.000 0.944 730 N CB 0.590 39.230 38.487 0.256 0.000 1.113 730 N HN 0.714 nan 8.380 nan 0.000 0.502 731 H N 3.248 122.405 119.070 0.144 0.000 2.894 731 H HA 0.378 4.934 4.556 0.000 0.000 0.367 731 H C -1.514 174.097 175.328 0.472 0.000 1.144 731 H CA -0.593 55.599 56.048 0.239 0.000 1.180 731 H CB 1.502 31.268 29.762 0.007 0.000 1.758 731 H HN 0.616 nan 8.280 nan 0.000 0.541 732 Y N 0.973 121.034 120.300 -0.399 0.000 2.764 732 Y HA 0.329 4.879 4.550 0.000 0.000 0.331 732 Y C -1.818 173.855 175.900 -0.379 0.000 1.280 732 Y CA -1.199 56.719 58.100 -0.302 0.000 1.065 732 Y CB 0.894 39.259 38.460 -0.157 0.000 1.319 732 Y HN 0.493 nan 8.280 nan 0.000 0.453 733 D N 1.379 121.365 120.400 -0.690 0.000 2.264 733 D HA 0.301 4.942 4.640 0.000 0.000 0.250 733 D C -0.981 175.196 176.300 -0.205 0.000 1.113 733 D CA -0.290 53.410 54.000 -0.499 0.000 0.871 733 D CB 0.934 41.379 40.800 -0.592 0.000 1.167 733 D HN 0.695 nan 8.370 nan 0.000 0.447 734 R N 3.975 124.327 120.500 -0.247 0.000 2.437 734 R HA 0.271 4.611 4.340 0.000 0.000 0.310 734 R C -1.088 175.183 176.300 -0.048 0.000 0.955 734 R CA -0.939 55.110 56.100 -0.085 0.000 0.851 734 R CB 0.689 30.874 30.300 -0.192 0.000 1.161 734 R HN 0.538 nan 8.270 nan 0.000 0.446 735 W N 7.811 129.077 121.300 -0.057 0.000 2.469 735 W HA 0.228 4.888 4.660 0.000 0.000 0.321 735 W C -0.384 176.076 176.519 -0.098 0.000 1.415 735 W CA 0.154 57.449 57.345 -0.082 0.000 1.308 735 W CB 0.275 29.710 29.460 -0.041 0.000 1.368 735 W HN 0.511 nan 8.180 nan 0.000 0.546 736 I N 1.954 122.162 120.570 -0.603 0.000 2.913 736 I HA 0.322 4.492 4.170 0.000 0.000 0.302 736 I C 0.891 176.464 176.117 -0.906 0.000 1.246 736 I CA -1.016 59.978 61.300 -0.510 0.000 1.010 736 I CB 2.139 39.948 38.000 -0.318 0.000 1.259 736 I HN 0.465 nan 8.210 nan 0.000 0.434 737 E N 2.235 122.092 120.200 -0.572 0.000 2.108 737 E HA -0.265 4.085 4.350 0.000 0.000 0.203 737 E C 1.562 177.925 176.600 -0.395 0.000 1.022 737 E CA 2.641 58.781 56.400 -0.434 0.000 0.823 737 E CB 0.101 29.710 29.700 -0.152 0.000 0.744 737 E HN 0.831 nan 8.360 nan 0.000 0.456 738 S N -0.534 114.966 115.700 -0.333 0.000 2.786 738 S HA 0.036 4.506 4.470 0.000 0.000 0.223 738 S C 0.369 174.775 174.600 -0.324 0.000 0.956 738 S CA 0.003 58.044 58.200 -0.264 0.000 0.961 738 S CB 0.115 63.191 63.200 -0.206 0.000 0.784 738 S HN 0.204 nan 8.310 nan 0.000 0.519 739 K N 1.762 121.881 120.400 -0.468 0.000 2.536 739 K HA -0.007 4.314 4.320 0.000 0.000 0.335 739 K C -1.673 174.458 176.600 -0.782 0.000 1.390 739 K CA -0.078 55.884 56.287 -0.541 0.000 1.083 739 K CB 0.269 32.404 32.500 -0.609 0.000 1.416 739 K HN 0.263 nan 8.250 nan 0.000 0.509 740 D N 3.922 123.951 120.400 -0.619 0.000 3.008 740 D HA 0.016 4.656 4.640 0.000 0.000 0.242 740 D C -0.407 175.700 176.300 -0.322 0.000 1.222 740 D CA 0.175 53.730 54.000 -0.742 0.000 0.883 740 D CB -0.370 40.283 40.800 -0.244 0.000 1.110 740 D HN 0.609 nan 8.370 nan 0.000 0.455 741 H N -2.714 116.175 119.070 -0.301 0.000 2.996 741 H HA 0.678 5.234 4.556 0.000 0.000 0.368 741 H C 0.256 175.615 175.328 0.052 0.000 1.185 741 H CA -0.398 55.668 56.048 0.031 0.000 1.160 741 H CB 1.742 31.542 29.762 0.063 0.000 1.820 741 H HN 0.189 nan 8.280 nan 0.000 0.547 742 G N 1.124 110.130 108.800 0.342 0.000 2.306 742 G HA2 0.084 4.044 3.960 0.000 0.000 0.262 742 G HA3 0.084 4.044 3.960 0.000 0.000 0.262 742 G C -1.609 173.433 174.900 0.238 0.000 1.263 742 G CA -0.880 44.350 45.100 0.217 0.000 1.088 742 G HN 0.710 nan 8.290 nan 0.000 0.489 743 K N -0.104 120.427 120.400 0.219 0.000 2.203 743 K HA 0.471 4.791 4.320 0.000 0.000 0.251 743 K C 0.231 176.925 176.600 0.157 0.000 0.944 743 K CA -0.836 55.535 56.287 0.139 0.000 0.829 743 K CB 1.941 34.478 32.500 0.062 0.000 1.125 743 K HN 0.358 nan 8.250 nan 0.000 0.430 744 D N 0.821 121.211 120.400 -0.017 0.000 2.133 744 D HA -0.156 4.484 4.640 0.000 0.000 0.192 744 D C 0.331 176.721 176.300 0.150 0.000 1.001 744 D CA 2.013 56.026 54.000 0.022 0.000 0.844 744 D CB -0.047 40.689 40.800 -0.107 0.000 0.944 744 D HN 0.506 nan 8.370 nan 0.000 0.447 745 Y N -3.992 116.309 120.300 0.001 0.000 2.853 745 Y HA 0.525 5.075 4.550 0.000 0.000 0.326 745 Y C 0.110 175.728 175.900 -0.471 0.000 1.384 745 Y CA -0.933 57.102 58.100 -0.108 0.000 1.077 745 Y CB 1.102 39.442 38.460 -0.200 0.000 1.395 745 Y HN -0.214 nan 8.280 nan 0.000 0.451 746 Q N -0.684 118.898 119.800 -0.364 0.000 1.656 746 Q HA 0.209 4.549 4.340 0.000 0.000 0.159 746 Q C -1.260 174.660 176.000 -0.134 0.000 0.744 746 Q CA -0.070 55.466 55.803 -0.445 0.000 0.767 746 Q CB 0.446 28.487 28.738 -1.162 0.000 1.205 746 Q HN 0.764 nan 8.270 nan 0.000 0.368 747 E N 1.128 121.205 120.200 -0.205 0.000 2.414 747 E HA -0.003 4.347 4.350 0.000 0.000 0.263 747 E C 0.849 177.277 176.600 -0.287 0.000 1.000 747 E CA 0.212 56.451 56.400 -0.269 0.000 0.914 747 E CB 0.642 29.891 29.700 -0.751 0.000 0.948 747 E HN 0.314 nan 8.360 nan 0.000 0.444 748 L N 2.403 123.587 121.223 -0.065 0.000 2.083 748 L HA -0.218 4.122 4.340 0.000 0.000 0.209 748 L C 2.002 178.826 176.870 -0.077 0.000 1.083 748 L CA 1.234 56.096 54.840 0.036 0.000 0.752 748 L CB -0.784 41.218 42.059 -0.095 0.000 0.899 748 L HN 0.749 nan 8.230 nan 0.000 0.433 749 Y N -2.263 117.753 120.300 -0.474 0.000 2.639 749 Y HA -0.033 4.517 4.550 0.000 0.000 0.297 749 Y C 2.152 177.917 175.900 -0.225 0.000 1.151 749 Y CA 0.310 58.222 58.100 -0.313 0.000 1.335 749 Y CB -0.571 37.557 38.460 -0.553 0.000 0.994 749 Y HN 0.063 nan 8.280 nan 0.000 0.548 750 M N -0.199 118.950 119.600 -0.752 0.000 2.618 750 M HA 0.063 4.543 4.480 0.000 0.000 0.240 750 M C -0.887 174.995 176.300 -0.696 0.000 1.123 750 M CA 0.285 55.070 55.300 -0.857 0.000 1.060 750 M CB -0.991 30.837 32.600 -1.287 0.000 1.535 750 M HN 0.330 nan 8.290 nan 0.000 0.507 751 Y N 1.094 121.305 120.300 -0.148 0.000 2.854 751 Y HA 0.259 4.809 4.550 0.000 0.000 0.330 751 Y C -1.517 174.388 175.900 0.009 0.000 1.037 751 Y CA -2.125 55.953 58.100 -0.037 0.000 1.263 751 Y CB 0.129 38.588 38.460 -0.001 0.000 1.120 751 Y HN 0.075 nan 8.280 nan 0.000 0.532 752 P HA -0.136 nan 4.420 nan 0.000 0.214 752 P C 0.682 178.034 177.300 0.088 0.000 1.162 752 P CA 1.499 64.640 63.100 0.067 0.000 0.874 752 P CB 0.549 32.258 31.700 0.015 0.000 0.784 753 N N -0.134 118.620 118.700 0.090 0.000 2.348 753 N HA -0.151 4.589 4.740 0.000 0.000 0.185 753 N C 0.404 175.962 175.510 0.079 0.000 1.019 753 N CA 1.019 54.115 53.050 0.076 0.000 0.880 753 N CB -0.261 38.270 38.487 0.073 0.000 0.965 753 N HN 0.313 nan 8.380 nan 0.000 0.437 754 E N -1.310 118.957 120.200 0.112 0.000 2.968 754 E HA 0.185 4.535 4.350 0.000 0.000 0.202 754 E C 0.647 177.319 176.600 0.120 0.000 0.979 754 E CA -0.138 56.315 56.400 0.088 0.000 1.192 754 E CB 0.177 29.906 29.700 0.048 0.000 1.059 754 E HN 0.232 nan 8.360 nan 0.000 0.470 755 M N 0.529 120.216 119.600 0.146 0.000 2.236 755 M HA -0.090 4.390 4.480 0.000 0.000 0.266 755 M C 0.373 176.733 176.300 0.099 0.000 1.070 755 M CA 1.566 56.987 55.300 0.203 0.000 1.137 755 M CB 0.331 33.054 32.600 0.205 0.000 1.378 755 M HN 0.012 nan 8.290 nan 0.000 0.426 756 D N -0.044 120.382 120.400 0.043 0.000 2.178 756 D HA -0.106 4.534 4.640 0.000 0.000 0.202 756 D C 1.774 178.089 176.300 0.024 0.000 0.974 756 D CA 1.524 55.521 54.000 -0.006 0.000 0.841 756 D CB -0.294 40.501 40.800 -0.007 0.000 0.953 756 D HN 0.371 nan 8.370 nan 0.000 0.478 757 T N 0.691 115.286 114.554 0.069 0.000 2.851 757 T HA 0.049 4.399 4.350 0.000 0.000 0.262 757 T C 2.184 177.003 174.700 0.198 0.000 1.043 757 T CA 0.209 62.380 62.100 0.120 0.000 1.140 757 T CB -0.069 68.847 68.868 0.080 0.000 0.872 757 T HN 0.088 nan 8.240 nan 0.000 0.446 758 L N 0.701 122.023 121.223 0.166 0.000 1.989 758 L HA -0.124 4.216 4.340 0.000 0.000 0.211 758 L C 2.917 179.957 176.870 0.283 0.000 1.071 758 L CA 1.607 56.587 54.840 0.232 0.000 0.749 758 L CB -0.514 41.724 42.059 0.298 0.000 0.890 758 L HN 0.177 nan 8.230 nan 0.000 0.431 759 R N 1.094 121.669 120.500 0.125 0.000 2.081 759 R HA -0.210 4.130 4.340 0.000 0.000 0.235 759 R C 2.405 178.708 176.300 0.005 0.000 1.131 759 R CA 1.967 57.990 56.100 -0.129 0.000 0.960 759 R CB -0.117 29.784 30.300 -0.665 0.000 0.856 759 R HN 0.433 nan 8.270 nan 0.000 0.436 760 K N -1.002 119.414 120.400 0.027 0.000 2.211 760 K HA -0.153 4.167 4.320 0.000 0.000 0.204 760 K C 1.697 178.305 176.600 0.014 0.000 1.047 760 K CA 1.568 57.849 56.287 -0.010 0.000 0.935 760 K CB -0.378 32.082 32.500 -0.066 0.000 0.728 760 K HN 0.159 nan 8.250 nan 0.000 0.452 761 F N 1.478 121.474 119.950 0.077 0.000 2.325 761 F HA -0.066 4.461 4.527 0.000 0.000 0.299 761 F C 2.094 178.045 175.800 0.251 0.000 1.090 761 F CA 0.574 58.682 58.000 0.179 0.000 1.392 761 F CB 0.178 39.274 39.000 0.160 0.000 1.053 761 F HN -0.199 nan 8.300 nan 0.000 0.521 762 V N -0.722 119.401 119.914 0.348 0.000 2.488 762 V HA -0.206 3.914 4.120 0.000 0.000 0.246 762 V C 1.999 178.198 176.094 0.175 0.000 1.046 762 V CA 1.553 64.036 62.300 0.306 0.000 1.053 762 V CB -0.605 31.300 31.823 0.137 0.000 0.679 762 V HN 0.244 nan 8.190 nan 0.000 0.458 763 E N -0.281 119.965 120.200 0.075 0.000 2.118 763 E HA -0.237 4.113 4.350 0.000 0.000 0.195 763 E C 1.978 178.627 176.600 0.082 0.000 0.992 763 E CA 1.566 57.984 56.400 0.030 0.000 0.804 763 E CB -0.185 29.511 29.700 -0.007 0.000 0.741 763 E HN 0.617 nan 8.360 nan 0.000 0.458 764 F N 1.504 121.386 119.950 -0.113 0.000 2.163 764 F HA -0.050 4.477 4.527 0.000 0.000 0.297 764 F C 2.294 177.996 175.800 -0.163 0.000 1.094 764 F CA 1.320 59.164 58.000 -0.260 0.000 1.290 764 F CB -0.137 38.588 39.000 -0.457 0.000 1.017 764 F HN -0.222 nan 8.300 nan 0.000 0.483 765 R N -0.975 119.465 120.500 -0.101 0.000 2.073 765 R HA -0.237 4.103 4.340 0.000 0.000 0.234 765 R C 2.236 178.550 176.300 0.023 0.000 1.134 765 R CA 2.080 58.131 56.100 -0.082 0.000 0.952 765 R CB -1.033 29.385 30.300 0.196 0.000 0.850 765 R HN 0.304 nan 8.270 nan 0.000 0.433 766 Y N 0.904 121.174 120.300 -0.050 0.000 2.224 766 Y HA -0.112 4.438 4.550 0.000 0.000 0.289 766 Y C 2.536 178.381 175.900 -0.092 0.000 1.146 766 Y CA 1.457 59.532 58.100 -0.042 0.000 1.182 766 Y CB -0.224 38.249 38.460 0.022 0.000 0.983 766 Y HN 0.082 nan 8.280 nan 0.000 0.524 767 R N -1.572 118.924 120.500 -0.006 0.000 2.105 767 R HA -0.208 4.132 4.340 0.000 0.000 0.239 767 R C 0.792 177.125 176.300 0.055 0.000 1.135 767 R CA 1.384 57.411 56.100 -0.122 0.000 0.967 767 R CB -0.478 29.660 30.300 -0.270 0.000 0.861 767 R HN 0.314 nan 8.270 nan 0.000 0.442 768 W N 2.719 123.909 121.300 -0.184 0.000 3.364 768 W HA 0.079 4.739 4.660 0.000 0.000 0.397 768 W C 1.444 177.843 176.519 -0.200 0.000 1.107 768 W CA -0.493 56.743 57.345 -0.182 0.000 1.892 768 W CB -0.644 28.671 29.460 -0.241 0.000 1.027 768 W HN 0.296 nan 8.180 nan 0.000 0.761 769 Q N -0.366 119.414 119.800 -0.033 0.000 2.181 769 Q HA -0.205 4.135 4.340 0.000 0.000 0.205 769 Q C 1.059 176.950 176.000 -0.182 0.000 0.980 769 Q CA 1.373 57.062 55.803 -0.191 0.000 0.862 769 Q CB -0.256 28.272 28.738 -0.350 0.000 0.905 769 Q HN 0.094 nan 8.270 nan 0.000 0.429 770 E N 0.833 120.977 120.200 -0.093 0.000 2.274 770 E HA -0.043 4.307 4.350 0.000 0.000 0.194 770 E C 2.174 178.724 176.600 -0.083 0.000 0.996 770 E CA 0.748 57.120 56.400 -0.047 0.000 0.840 770 E CB 0.059 29.740 29.700 -0.031 0.000 0.772 770 E HN 0.297 nan 8.360 nan 0.000 0.491 771 V N 1.252 121.086 119.914 -0.134 0.000 2.323 771 V HA -0.195 3.926 4.120 0.000 0.000 0.244 771 V C 2.459 178.428 176.094 -0.208 0.000 1.041 771 V CA 1.165 63.340 62.300 -0.208 0.000 1.025 771 V CB -0.540 31.065 31.823 -0.364 0.000 0.656 771 V HN 0.177 nan 8.190 nan 0.000 0.451 772 L N -1.411 119.659 121.223 -0.255 0.000 2.046 772 L HA -0.190 4.150 4.340 0.000 0.000 0.208 772 L C 2.556 179.025 176.870 -0.667 0.000 1.077 772 L CA 1.862 56.427 54.840 -0.458 0.000 0.747 772 L CB -0.767 40.944 42.059 -0.581 0.000 0.896 772 L HN 0.307 nan 8.230 nan 0.000 0.432 773 Y N 1.085 120.950 120.300 -0.725 0.000 2.181 773 Y HA -0.244 4.306 4.550 0.000 0.000 0.288 773 Y C 2.757 178.452 175.900 -0.341 0.000 1.146 773 Y CA 1.853 59.595 58.100 -0.597 0.000 1.164 773 Y CB -0.579 37.667 38.460 -0.357 0.000 0.982 773 Y HN 0.082 nan 8.280 nan 0.000 0.515 774 T N 0.003 114.465 114.554 -0.153 0.000 2.904 774 T HA -0.084 4.266 4.350 0.000 0.000 0.267 774 T C 2.112 176.765 174.700 -0.077 0.000 1.059 774 T CA 1.040 63.107 62.100 -0.054 0.000 1.137 774 T CB -0.549 68.349 68.868 0.051 0.000 0.879 774 T HN 0.416 nan 8.240 nan 0.000 0.467 775 A N 1.365 124.094 122.820 -0.152 0.000 1.898 775 A HA -0.034 4.286 4.320 0.000 0.000 0.216 775 A C 2.212 179.694 177.584 -0.170 0.000 1.181 775 A CA 1.613 53.571 52.037 -0.133 0.000 0.620 775 A CB -0.595 18.326 19.000 -0.132 0.000 0.819 775 A HN 0.403 nan 8.150 nan 0.000 0.442 776 M N -1.519 117.938 119.600 -0.238 0.000 2.132 776 M HA -0.100 4.380 4.480 0.000 0.000 0.263 776 M C 1.938 178.026 176.300 -0.354 0.000 1.065 776 M CA 1.790 56.952 55.300 -0.230 0.000 1.122 776 M CB -0.846 31.658 32.600 -0.159 0.000 1.365 776 M HN 0.530 nan 8.290 nan 0.000 0.411 777 Y N 0.957 120.891 120.300 -0.609 0.000 2.114 777 Y HA -0.314 4.236 4.550 0.000 0.000 0.282 777 Y C 2.078 177.722 175.900 -0.426 0.000 1.165 777 Y CA 2.454 60.147 58.100 -0.678 0.000 1.148 777 Y CB -0.883 37.136 38.460 -0.735 0.000 0.972 777 Y HN 0.432 nan 8.280 nan 0.000 0.504 778 Q N -0.225 119.300 119.800 -0.460 0.000 2.297 778 Q HA -0.219 4.121 4.340 0.000 0.000 0.208 778 Q C 2.000 177.795 176.000 -0.342 0.000 0.981 778 Q CA 1.350 56.932 55.803 -0.369 0.000 0.876 778 Q CB -0.278 28.424 28.738 -0.059 0.000 0.921 778 Q HN 0.585 nan 8.270 nan 0.000 0.446 779 N N -0.460 118.037 118.700 -0.338 0.000 2.415 779 N HA 0.000 4.740 4.740 0.000 0.000 0.174 779 N C 1.360 176.670 175.510 -0.334 0.000 1.048 779 N CA 0.818 53.709 53.050 -0.264 0.000 0.895 779 N CB 0.260 38.631 38.487 -0.194 0.000 1.036 779 N HN 0.156 nan 8.380 nan 0.000 0.449 780 A N 0.546 123.108 122.820 -0.429 0.000 2.016 780 A HA 0.300 4.620 4.320 0.000 0.000 0.217 780 A C 2.210 179.498 177.584 -0.494 0.000 1.162 780 A CA 1.212 53.009 52.037 -0.401 0.000 0.662 780 A CB -0.374 18.401 19.000 -0.375 0.000 0.812 780 A HN 0.398 nan 8.150 nan 0.000 0.450 781 A N -0.765 121.561 122.820 -0.824 0.000 1.843 781 A HA 0.314 4.634 4.320 0.000 0.000 0.213 781 A C 1.488 178.575 177.584 -0.828 0.000 1.239 781 A CA 1.393 52.753 52.037 -1.129 0.000 0.606 781 A CB -0.441 17.183 19.000 -2.293 0.000 0.903 781 A HN 0.475 nan 8.150 nan 0.000 0.455 782 F N -1.512 118.286 119.950 -0.253 0.000 2.706 782 F HA 0.446 4.973 4.527 0.000 0.000 0.308 782 F C 1.689 177.420 175.800 -0.114 0.000 1.095 782 F CA -0.006 57.911 58.000 -0.139 0.000 1.244 782 F CB 0.080 39.013 39.000 -0.112 0.000 1.063 782 F HN 0.430 nan 8.300 nan 0.000 0.582 783 G N 0.785 109.545 108.800 -0.067 0.000 2.157 783 G HA2 -0.291 3.669 3.960 0.000 0.000 0.248 783 G HA3 -0.291 3.669 3.960 0.000 0.000 0.248 783 G C 0.268 175.137 174.900 -0.051 0.000 0.979 783 G CA -0.349 44.700 45.100 -0.084 0.000 0.650 783 G HN 0.334 nan 8.290 nan 0.000 0.529 784 K N 1.870 122.262 120.400 -0.013 0.000 2.401 784 K HA 0.398 4.718 4.320 0.000 0.000 0.278 784 K C -2.021 174.556 176.600 -0.039 0.000 1.018 784 K CA -1.205 55.084 56.287 0.004 0.000 0.981 784 K CB 0.811 33.334 32.500 0.039 0.000 0.933 784 K HN 0.133 nan 8.250 nan 0.000 0.477 785 P HA -0.029 nan 4.420 nan 0.000 0.268 785 P C 0.369 177.638 177.300 -0.051 0.000 1.205 785 P CA 0.236 63.313 63.100 -0.039 0.000 0.771 785 P CB 0.576 32.269 31.700 -0.013 0.000 0.858 786 I N 2.078 122.624 120.570 -0.040 0.000 2.163 786 I HA -0.114 4.056 4.170 0.000 0.000 0.240 786 I C 1.098 177.205 176.117 -0.016 0.000 1.081 786 I CA 1.307 62.589 61.300 -0.030 0.000 1.353 786 I CB -0.225 37.784 38.000 0.016 0.000 1.054 786 I HN 0.215 nan 8.210 nan 0.000 0.407 787 I N 2.855 123.435 120.570 0.016 0.000 2.304 787 I HA 0.182 4.352 4.170 0.000 0.000 0.291 787 I C -0.013 176.123 176.117 0.031 0.000 1.018 787 I CA -0.411 60.929 61.300 0.068 0.000 1.260 787 I CB 0.648 38.668 38.000 0.033 0.000 1.390 787 I HN 0.045 nan 8.210 nan 0.000 0.475 788 K N 5.053 125.466 120.400 0.023 0.000 2.156 788 K HA 0.617 4.937 4.320 0.000 0.000 0.271 788 K C -0.074 176.584 176.600 0.098 0.000 0.995 788 K CA -0.568 55.704 56.287 -0.025 0.000 0.890 788 K CB 1.904 34.239 32.500 -0.275 0.000 1.073 788 K HN 0.633 nan 8.250 nan 0.000 0.454 789 A N 1.731 124.603 122.820 0.086 0.000 2.407 789 A HA 0.360 4.680 4.320 0.000 0.000 0.248 789 A C 1.405 179.071 177.584 0.136 0.000 1.082 789 A CA 0.452 52.554 52.037 0.110 0.000 0.785 789 A CB 0.234 19.258 19.000 0.040 0.000 1.020 789 A HN 0.823 nan 8.150 nan 0.000 0.489 790 A N 1.780 124.696 122.820 0.159 0.000 1.948 790 A HA -0.157 4.163 4.320 0.000 0.000 0.220 790 A C 2.352 180.025 177.584 0.148 0.000 1.177 790 A CA 2.571 54.698 52.037 0.149 0.000 0.636 790 A CB -1.061 18.011 19.000 0.121 0.000 0.815 790 A HN 1.828 nan 8.150 nan 0.000 0.449 791 S N -0.655 115.086 115.700 0.069 0.000 2.507 791 S HA -0.027 4.443 4.470 0.000 0.000 0.235 791 S C 1.559 176.159 174.600 -0.001 0.000 0.988 791 S CA 1.217 59.412 58.200 -0.008 0.000 0.944 791 S CB -0.607 62.481 63.200 -0.186 0.000 0.762 791 S HN 0.565 nan 8.310 nan 0.000 0.526 792 M N 0.128 119.780 119.600 0.086 0.000 2.618 792 M HA 0.233 4.713 4.480 0.000 0.000 0.240 792 M C -0.163 176.285 176.300 0.247 0.000 1.123 792 M CA 0.229 55.611 55.300 0.137 0.000 1.060 792 M CB -0.265 32.453 32.600 0.195 0.000 1.535 792 M HN 0.360 nan 8.290 nan 0.000 0.507 793 Y N 2.786 123.160 120.300 0.122 0.000 2.434 793 Y HA 0.299 4.849 4.550 0.000 0.000 0.341 793 Y C -0.056 175.851 175.900 0.011 0.000 0.965 793 Y CA -1.235 56.913 58.100 0.081 0.000 1.205 793 Y CB 0.235 38.797 38.460 0.169 0.000 1.121 793 Y HN 0.114 nan 8.280 nan 0.000 0.507 794 N N 4.574 123.087 118.700 -0.312 0.000 2.444 794 N HA 0.041 4.781 4.740 0.000 0.000 0.255 794 N C -0.253 175.125 175.510 -0.219 0.000 1.255 794 N CA 0.362 53.282 53.050 -0.217 0.000 0.933 794 N CB 0.264 38.624 38.487 -0.212 0.000 1.143 794 N HN 0.845 nan 8.380 nan 0.000 0.453 795 N N -1.037 117.602 118.700 -0.101 0.000 2.776 795 N HA -0.182 4.558 4.740 0.000 0.000 0.249 795 N C -1.458 174.063 175.510 0.017 0.000 1.111 795 N CA 0.476 53.493 53.050 -0.056 0.000 0.711 795 N CB -0.605 37.828 38.487 -0.090 0.000 1.065 795 N HN 0.548 nan 8.380 nan 0.000 0.556 796 D N 0.075 120.515 120.400 0.066 0.000 2.620 796 D HA 0.238 4.878 4.640 0.000 0.000 0.252 796 D C 0.117 176.458 176.300 0.068 0.000 1.207 796 D CA -0.397 53.690 54.000 0.145 0.000 0.884 796 D CB 1.043 42.044 40.800 0.335 0.000 1.262 796 D HN 0.166 nan 8.370 nan 0.000 0.552 797 S N 2.041 117.756 115.700 0.025 0.000 2.614 797 S HA 0.147 4.617 4.470 0.000 0.000 0.230 797 S C 0.818 175.362 174.600 -0.093 0.000 0.952 797 S CA -0.332 57.854 58.200 -0.024 0.000 0.949 797 S CB -0.081 63.108 63.200 -0.018 0.000 0.786 797 S HN 0.434 nan 8.310 nan 0.000 0.478 798 N N 0.450 119.055 118.700 -0.157 0.000 2.239 798 N HA 0.101 4.841 4.740 0.000 0.000 0.208 798 N C 1.534 176.770 175.510 -0.457 0.000 1.200 798 N CA 0.495 53.282 53.050 -0.437 0.000 0.895 798 N CB 0.637 38.599 38.487 -0.875 0.000 1.085 798 N HN 0.294 nan 8.380 nan 0.000 0.500 799 V N 0.126 119.952 119.914 -0.148 0.000 2.343 799 V HA -0.163 3.957 4.120 0.000 0.000 0.247 799 V C 2.222 178.285 176.094 -0.053 0.000 1.051 799 V CA 1.484 63.766 62.300 -0.031 0.000 1.036 799 V CB -0.713 31.188 31.823 0.130 0.000 0.654 799 V HN 0.177 nan 8.190 nan 0.000 0.451 800 R N 0.494 120.975 120.500 -0.031 0.000 2.133 800 R HA -0.235 4.105 4.340 0.000 0.000 0.247 800 R C 2.620 178.895 176.300 -0.042 0.000 1.151 800 R CA 2.135 58.237 56.100 0.004 0.000 0.971 800 R CB -0.448 29.860 30.300 0.012 0.000 0.866 800 R HN 0.576 nan 8.270 nan 0.000 0.447 801 R N -0.299 120.129 120.500 -0.120 0.000 2.082 801 R HA -0.108 4.232 4.340 0.000 0.000 0.234 801 R C 1.253 177.480 176.300 -0.120 0.000 1.136 801 R CA 1.833 57.851 56.100 -0.137 0.000 0.935 801 R CB -0.299 29.877 30.300 -0.206 0.000 0.842 801 R HN 0.317 nan 8.270 nan 0.000 0.430 802 A N 1.500 124.202 122.820 -0.196 0.000 2.476 802 A HA 0.015 4.335 4.320 0.000 0.000 0.263 802 A C 1.331 178.889 177.584 -0.043 0.000 1.342 802 A CA -0.267 51.650 52.037 -0.199 0.000 0.926 802 A CB -0.153 18.473 19.000 -0.624 0.000 1.019 802 A HN 0.601 nan 8.150 nan 0.000 0.515 803 Q N -0.448 119.367 119.800 0.024 0.000 2.515 803 Q HA -0.054 4.287 4.340 0.000 0.000 0.212 803 Q C 0.376 176.471 176.000 0.157 0.000 0.970 803 Q CA 0.734 56.606 55.803 0.115 0.000 0.941 803 Q CB -0.242 28.577 28.738 0.135 0.000 0.998 803 Q HN 0.474 nan 8.270 nan 0.000 0.518 804 N N 1.828 120.617 118.700 0.148 0.000 2.300 804 N HA -0.078 4.662 4.740 0.000 0.000 0.179 804 N C 0.177 175.802 175.510 0.191 0.000 1.016 804 N CA 1.651 54.795 53.050 0.156 0.000 0.876 804 N CB 0.304 38.878 38.487 0.144 0.000 0.979 804 N HN 0.656 nan 8.380 nan 0.000 0.432 805 D N -2.769 117.795 120.400 0.273 0.000 2.497 805 D HA 0.067 4.707 4.640 0.000 0.000 0.256 805 D C -0.266 176.253 176.300 0.365 0.000 1.273 805 D CA -0.170 54.005 54.000 0.291 0.000 0.812 805 D CB -0.497 40.446 40.800 0.238 0.000 1.190 805 D HN 0.029 nan 8.370 nan 0.000 0.524 806 H N 0.311 119.501 119.070 0.201 0.000 2.472 806 H HA 0.727 5.283 4.556 0.000 0.000 0.335 806 H C -0.369 175.139 175.328 0.300 0.000 1.136 806 H CA -0.671 55.473 56.048 0.160 0.000 1.264 806 H CB 0.964 30.743 29.762 0.029 0.000 1.486 806 H HN 0.130 nan 8.280 nan 0.000 0.517 807 F N -0.570 119.432 119.950 0.086 0.000 2.770 807 F HA 0.611 5.138 4.527 0.000 0.000 0.313 807 F C -2.505 173.293 175.800 -0.003 0.000 1.154 807 F CA -1.289 56.736 58.000 0.042 0.000 0.923 807 F CB 0.807 39.832 39.000 0.043 0.000 1.301 807 F HN 0.227 nan 8.300 nan 0.000 0.449 808 L N 2.795 124.019 121.223 0.003 0.000 2.350 808 L HA 0.922 5.262 4.340 0.000 0.000 0.260 808 L C -0.735 176.076 176.870 -0.097 0.000 1.015 808 L CA -0.804 53.958 54.840 -0.131 0.000 0.821 808 L CB 2.079 44.088 42.059 -0.084 0.000 1.370 808 L HN 0.960 nan 8.230 nan 0.000 0.416 809 L N -1.288 119.860 121.223 -0.125 0.000 2.892 809 L HA 1.068 5.408 4.340 0.000 0.000 0.269 809 L C -0.169 176.604 176.870 -0.162 0.000 1.058 809 L CA -0.499 54.265 54.840 -0.128 0.000 0.923 809 L CB 1.787 43.837 42.059 -0.015 0.000 1.518 809 L HN 0.952 nan 8.230 nan 0.000 0.402 810 G N -1.099 107.598 108.800 -0.172 0.000 2.758 810 G HA2 0.468 4.428 3.960 0.000 0.000 0.686 810 G HA3 0.468 4.428 3.960 0.000 0.000 0.686 810 G C 0.264 175.041 174.900 -0.205 0.000 1.389 810 G CA -0.065 44.902 45.100 -0.221 0.000 0.845 810 G HN 2.997 nan 8.290 nan 0.000 0.572 811 G N -0.519 108.163 108.800 -0.196 0.000 2.660 811 G HA2 0.222 4.182 3.960 0.000 0.000 0.215 811 G HA3 0.222 4.182 3.960 0.000 0.000 0.215 811 G C 0.647 175.510 174.900 -0.062 0.000 1.345 811 G CA 1.273 46.290 45.100 -0.138 0.000 0.877 811 G HN 2.708 nan 8.290 nan 0.000 0.549 812 H N -0.988 118.079 119.070 -0.006 0.000 2.389 812 H HA 0.122 4.678 4.556 0.000 0.000 0.299 812 H C 1.847 177.201 175.328 0.043 0.000 1.081 812 H CA 2.022 58.082 56.048 0.020 0.000 1.345 812 H CB 0.029 29.788 29.762 -0.004 0.000 1.393 812 H HN 0.603 nan 8.280 nan 0.000 0.520 813 D N -1.132 119.004 120.400 -0.441 0.000 2.417 813 D HA 0.130 4.770 4.640 0.000 0.000 0.207 813 D C 1.607 177.955 176.300 0.080 0.000 1.075 813 D CA 0.502 54.413 54.000 -0.147 0.000 0.851 813 D CB 0.012 40.682 40.800 -0.217 0.000 0.976 813 D HN 0.626 nan 8.370 nan 0.000 0.505 814 G N -0.017 108.764 108.800 -0.032 0.000 2.141 814 G HA2 -0.278 3.682 3.960 0.000 0.000 0.231 814 G HA3 -0.278 3.682 3.960 0.000 0.000 0.231 814 G C -0.082 174.677 174.900 -0.235 0.000 0.984 814 G CA 0.184 45.226 45.100 -0.097 0.000 0.660 814 G HN 0.385 nan 8.290 nan 0.000 0.525 815 Y N -0.709 119.532 120.300 -0.100 0.000 2.712 815 Y HA 0.380 4.930 4.550 0.000 0.000 0.250 815 Y C 1.747 177.635 175.900 -0.021 0.000 1.101 815 Y CA -0.695 57.402 58.100 -0.004 0.000 1.118 815 Y CB 0.657 39.160 38.460 0.073 0.000 1.203 815 Y HN 0.108 nan 8.280 nan 0.000 0.587 816 R N 0.542 121.032 120.500 -0.016 0.000 2.334 816 R HA 0.368 4.708 4.340 0.000 0.000 0.216 816 R C -0.329 175.946 176.300 -0.041 0.000 0.905 816 R CA 0.472 56.520 56.100 -0.087 0.000 1.064 816 R CB 0.651 30.820 30.300 -0.219 0.000 1.046 816 R HN 0.307 nan 8.270 nan 0.000 0.508 817 I N 1.294 121.867 120.570 0.006 0.000 2.512 817 I HA 0.234 4.404 4.170 0.000 0.000 0.287 817 I C -1.073 175.037 176.117 -0.011 0.000 1.069 817 I CA -1.178 60.132 61.300 0.017 0.000 1.056 817 I CB 2.269 40.218 38.000 -0.085 0.000 1.229 817 I HN -0.240 nan 8.210 nan 0.000 0.429 818 L N 6.974 128.187 121.223 -0.017 0.000 2.282 818 L HA 0.608 4.948 4.340 0.000 0.000 0.288 818 L C -0.938 175.847 176.870 -0.142 0.000 1.033 818 L CA 0.099 54.785 54.840 -0.256 0.000 0.807 818 L CB 1.172 42.800 42.059 -0.717 0.000 1.209 818 L HN 0.694 nan 8.230 nan 0.000 0.423 819 C N 4.728 123.771 119.300 -0.428 0.000 2.346 819 C HA 0.821 5.281 4.460 0.000 0.000 0.326 819 C C 0.295 175.058 174.990 -0.379 0.000 1.224 819 C CA -0.785 57.982 59.018 -0.419 0.000 1.408 819 C CB 0.529 27.757 27.740 -0.854 0.000 2.089 819 C HN 0.919 nan 8.230 nan 0.000 0.456 820 A N 5.774 128.470 122.820 -0.207 0.000 2.842 820 A HA 0.647 4.967 4.320 0.000 0.000 0.339 820 A C -2.729 174.818 177.584 -0.062 0.000 1.177 820 A CA -1.000 50.834 52.037 -0.338 0.000 0.797 820 A CB 0.211 18.662 19.000 -0.915 0.000 1.094 820 A HN 0.644 nan 8.150 nan 0.000 0.474 821 P HA 0.248 nan 4.420 nan 0.000 0.279 821 P C 0.202 177.550 177.300 0.080 0.000 1.239 821 P CA 0.036 63.189 63.100 0.088 0.000 0.789 821 P CB 1.270 33.050 31.700 0.134 0.000 0.933 822 V N 3.378 123.338 119.914 0.077 0.000 2.694 822 V HA -0.053 4.067 4.120 0.000 0.000 0.306 822 V C 1.657 177.781 176.094 0.051 0.000 1.054 822 V CA 0.484 62.845 62.300 0.100 0.000 1.161 822 V CB 0.498 32.377 31.823 0.095 0.000 0.916 822 V HN 0.479 nan 8.190 nan 0.000 0.490 823 V N 0.099 120.056 119.914 0.071 0.000 3.276 823 V HA 0.426 4.546 4.120 0.000 0.000 0.319 823 V C -0.395 175.417 176.094 -0.468 0.000 1.427 823 V CA -0.471 61.729 62.300 -0.167 0.000 1.102 823 V CB -0.676 31.052 31.823 -0.159 0.000 1.020 823 V HN 0.756 nan 8.190 nan 0.000 0.456 824 W N 0.054 121.365 121.300 0.019 0.000 2.998 824 W HA 0.576 5.236 4.660 0.000 0.000 0.335 824 W C 0.022 176.547 176.519 0.009 0.000 1.110 824 W CA -0.596 56.763 57.345 0.024 0.000 1.230 824 W CB 1.468 30.958 29.460 0.050 0.000 1.405 824 W HN -0.039 nan 8.180 nan 0.000 0.493 825 E N 1.904 122.241 120.200 0.229 0.000 2.413 825 E HA -0.019 4.331 4.350 0.000 0.000 0.263 825 E C 0.351 177.046 176.600 0.159 0.000 1.015 825 E CA 0.819 57.304 56.400 0.142 0.000 0.916 825 E CB 0.134 29.904 29.700 0.117 0.000 0.947 825 E HN 0.681 nan 8.360 nan 0.000 0.440 826 N N 1.113 119.874 118.700 0.102 0.000 2.741 826 N HA -0.230 4.510 4.740 0.000 0.000 0.250 826 N C -1.192 174.371 175.510 0.089 0.000 1.115 826 N CA 0.465 53.566 53.050 0.085 0.000 0.724 826 N CB -0.824 37.712 38.487 0.083 0.000 1.090 826 N HN 0.226 nan 8.380 nan 0.000 0.558 827 S N -0.103 115.662 115.700 0.108 0.000 2.429 827 S HA 0.383 4.853 4.470 0.000 0.000 0.302 827 S C 1.139 175.785 174.600 0.077 0.000 1.115 827 S CA -0.267 57.998 58.200 0.108 0.000 1.095 827 S CB 0.961 64.267 63.200 0.177 0.000 0.987 827 S HN 0.252 nan 8.310 nan 0.000 0.474 828 T N 1.715 116.304 114.554 0.059 0.000 3.107 828 T HA 0.302 4.652 4.350 0.000 0.000 0.249 828 T C -0.067 174.657 174.700 0.040 0.000 1.096 828 T CA -0.143 61.981 62.100 0.040 0.000 1.012 828 T CB -0.446 68.438 68.868 0.027 0.000 0.977 828 T HN 0.753 nan 8.240 nan 0.000 0.527 829 E N 0.592 120.833 120.200 0.069 0.000 2.429 829 E HA 0.713 5.063 4.350 0.000 0.000 0.280 829 E C -0.938 175.745 176.600 0.138 0.000 1.068 829 E CA -1.479 54.973 56.400 0.086 0.000 0.837 829 E CB 1.045 30.789 29.700 0.074 0.000 1.357 829 E HN 0.326 nan 8.360 nan 0.000 0.455 830 R N -0.970 119.640 120.500 0.184 0.000 2.734 830 R HA 0.503 4.843 4.340 0.000 0.000 0.271 830 R C -1.282 175.150 176.300 0.221 0.000 1.021 830 R CA -1.072 55.151 56.100 0.205 0.000 0.893 830 R CB 1.146 31.574 30.300 0.213 0.000 1.244 830 R HN 0.601 nan 8.270 nan 0.000 0.464 831 E N 2.082 122.386 120.200 0.173 0.000 1.893 831 E HA 0.181 4.531 4.350 0.000 0.000 0.269 831 E C -1.055 175.600 176.600 0.092 0.000 1.129 831 E CA -0.587 55.861 56.400 0.079 0.000 0.904 831 E CB 0.513 30.208 29.700 -0.009 0.000 1.077 831 E HN 0.505 nan 8.360 nan 0.000 0.407 832 L N 5.221 126.490 121.223 0.076 0.000 2.350 832 L HA 0.320 4.660 4.340 0.000 0.000 0.275 832 L C -1.373 175.502 176.870 0.009 0.000 1.099 832 L CA -0.479 54.409 54.840 0.081 0.000 0.808 832 L CB 0.709 42.654 42.059 -0.190 0.000 1.149 832 L HN 0.501 nan 8.230 nan 0.000 0.442 833 Y N 5.290 125.569 120.300 -0.035 0.000 2.338 833 Y HA 0.543 5.093 4.550 0.000 0.000 0.333 833 Y C -1.404 174.266 175.900 -0.384 0.000 0.968 833 Y CA -1.015 56.910 58.100 -0.291 0.000 1.123 833 Y CB 1.142 39.366 38.460 -0.393 0.000 1.165 833 Y HN 0.515 nan 8.280 nan 0.000 0.452 834 L N 9.027 129.500 121.223 -1.251 0.000 2.276 834 L HA 0.456 4.796 4.340 0.000 0.000 0.286 834 L C -2.305 173.739 176.870 -1.376 0.000 1.061 834 L CA -2.001 52.062 54.840 -1.294 0.000 0.807 834 L CB 1.006 42.524 42.059 -0.902 0.000 1.177 834 L HN 0.518 nan 8.230 nan 0.000 0.429 835 P HA 0.055 nan 4.420 nan 0.000 0.271 835 P C -0.272 177.116 177.300 0.146 0.000 1.216 835 P CA -0.141 62.785 63.100 -0.290 0.000 0.776 835 P CB 1.203 32.538 31.700 -0.609 0.000 0.881 836 V N 5.517 125.582 119.914 0.252 0.000 3.214 836 V HA 0.192 4.312 4.120 0.000 0.000 0.306 836 V C 0.825 177.042 176.094 0.205 0.000 1.078 836 V CA -0.306 62.114 62.300 0.200 0.000 1.077 836 V CB -0.357 31.571 31.823 0.174 0.000 1.121 836 V HN 0.530 nan 8.190 nan 0.000 0.468 837 L N 2.419 123.694 121.223 0.086 0.000 3.598 837 L HA -0.141 4.199 4.340 0.000 0.000 0.422 837 L C -0.032 176.826 176.870 -0.019 0.000 1.262 837 L CA 0.914 55.769 54.840 0.024 0.000 0.889 837 L CB -2.007 40.057 42.059 0.008 0.000 1.857 837 L HN 1.039 nan 8.230 nan 0.000 0.858 838 T N -1.559 112.944 114.554 -0.085 0.000 2.843 838 T HA 0.391 4.741 4.350 0.000 0.000 0.337 838 T C -1.663 172.785 174.700 -0.421 0.000 1.754 838 T CA -0.723 61.216 62.100 -0.267 0.000 1.052 838 T CB 1.571 70.215 68.868 -0.374 0.000 1.588 838 T HN 0.172 nan 8.240 nan 0.000 0.493 839 Q N 1.125 120.612 119.800 -0.522 0.000 2.257 839 Q HA 0.566 4.906 4.340 0.000 0.000 0.262 839 Q C -1.150 174.372 176.000 -0.797 0.000 0.997 839 Q CA -0.382 55.109 55.803 -0.519 0.000 0.873 839 Q CB 1.778 30.313 28.738 -0.339 0.000 1.312 839 Q HN 0.679 nan 8.270 nan 0.000 0.450 840 W N 0.377 121.478 121.300 -0.332 0.000 2.799 840 W HA 0.524 5.184 4.660 0.000 0.000 0.349 840 W C -0.902 175.400 176.519 -0.362 0.000 1.100 840 W CA -0.552 56.635 57.345 -0.264 0.000 1.174 840 W CB 1.161 30.451 29.460 -0.283 0.000 1.427 840 W HN 0.403 nan 8.180 nan 0.000 0.547 841 Y N 1.348 121.852 120.300 0.340 0.000 2.354 841 Y HA 0.251 4.801 4.550 0.000 0.000 0.330 841 Y C 0.140 176.192 175.900 0.254 0.000 1.011 841 Y CA -1.755 56.489 58.100 0.240 0.000 1.099 841 Y CB 1.814 40.377 38.460 0.171 0.000 1.179 841 Y HN 0.211 nan 8.280 nan 0.000 0.442 842 K N 2.979 123.559 120.400 0.299 0.000 2.451 842 K HA 0.256 4.576 4.320 0.000 0.000 0.280 842 K C -1.357 174.979 176.600 -0.441 0.000 1.020 842 K CA 0.512 56.765 56.287 -0.056 0.000 1.008 842 K CB 0.349 32.808 32.500 -0.069 0.000 0.917 842 K HN 0.557 nan 8.250 nan 0.000 0.478 843 F N 1.230 120.837 119.950 -0.572 0.000 2.824 843 F HA 0.714 5.241 4.527 0.000 0.000 0.330 843 F C 0.194 175.856 175.800 -0.230 0.000 1.175 843 F CA 0.411 58.189 58.000 -0.371 0.000 0.974 843 F CB 2.026 41.057 39.000 0.052 0.000 1.430 843 F HN 0.712 nan 8.300 nan 0.000 0.507 844 G N 0.893 109.351 108.800 -0.571 0.000 2.356 844 G HA2 0.199 4.159 3.960 0.000 0.000 0.288 844 G HA3 0.199 4.159 3.960 0.000 0.000 0.288 844 G C -2.868 171.146 174.900 -1.476 0.000 1.302 844 G CA -0.431 44.053 45.100 -1.028 0.000 0.887 844 G HN 0.335 nan 8.290 nan 0.000 0.521 845 P HA 0.047 nan 4.420 nan 0.000 0.216 845 P C 1.121 178.095 177.300 -0.543 0.000 1.153 845 P CA 1.596 64.135 63.100 -0.935 0.000 0.848 845 P CB 0.083 31.282 31.700 -0.835 0.000 0.787 846 D N -0.789 119.315 120.400 -0.493 0.000 2.144 846 D HA -0.127 4.513 4.640 0.000 0.000 0.199 846 D C 1.134 177.151 176.300 -0.472 0.000 0.984 846 D CA 1.008 54.747 54.000 -0.435 0.000 0.834 846 D CB -0.864 39.642 40.800 -0.490 0.000 0.955 846 D HN 0.255 nan 8.370 nan 0.000 0.465 847 F N 0.633 120.313 119.950 -0.450 0.000 2.703 847 F HA 0.026 4.553 4.527 0.000 0.000 0.299 847 F C 1.463 177.066 175.800 -0.329 0.000 1.229 847 F CA 0.097 57.861 58.000 -0.394 0.000 1.430 847 F CB 0.106 38.788 39.000 -0.530 0.000 1.053 847 F HN -0.181 nan 8.300 nan 0.000 0.513 848 D N -1.227 119.114 120.400 -0.099 0.000 2.479 848 D HA -0.034 4.606 4.640 0.000 0.000 0.221 848 D C 1.659 178.040 176.300 0.136 0.000 1.104 848 D CA 0.729 54.789 54.000 0.100 0.000 0.849 848 D CB 0.257 41.147 40.800 0.150 0.000 1.072 848 D HN 0.079 nan 8.370 nan 0.000 0.502 849 T N -1.741 112.832 114.554 0.031 0.000 3.248 849 T HA 0.317 4.667 4.350 0.000 0.000 0.271 849 T C 0.182 174.884 174.700 0.004 0.000 1.005 849 T CA -0.578 61.545 62.100 0.038 0.000 0.902 849 T CB -0.223 68.646 68.868 0.002 0.000 1.102 849 T HN 0.220 nan 8.240 nan 0.000 0.548 850 K N -0.879 119.527 120.400 0.010 0.000 2.578 850 K HA 0.714 5.034 4.320 0.000 0.000 0.287 850 K C -3.592 173.063 176.600 0.091 0.000 1.010 850 K CA -2.196 54.094 56.287 0.005 0.000 0.889 850 K CB 0.436 32.872 32.500 -0.106 0.000 1.514 850 K HN -0.200 nan 8.250 nan 0.000 0.424 851 P HA 0.210 nan 4.420 nan 0.000 0.277 851 P C -0.469 176.996 177.300 0.275 0.000 1.240 851 P CA -0.567 62.619 63.100 0.143 0.000 0.798 851 P CB 0.440 32.196 31.700 0.093 0.000 0.979 852 L N 0.721 122.098 121.223 0.257 0.000 2.483 852 L HA 0.075 4.415 4.340 0.000 0.000 0.277 852 L C 1.299 178.361 176.870 0.319 0.000 1.248 852 L CA 0.409 55.432 54.840 0.305 0.000 0.825 852 L CB -0.268 41.846 42.059 0.092 0.000 1.096 852 L HN 0.377 nan 8.230 nan 0.000 0.512 853 E N -0.167 120.245 120.200 0.352 0.000 2.267 853 E HA 0.315 4.666 4.350 0.000 0.000 0.258 853 E C -0.036 176.767 176.600 0.338 0.000 1.074 853 E CA -0.708 55.888 56.400 0.328 0.000 0.915 853 E CB 0.777 30.678 29.700 0.334 0.000 1.186 853 E HN 0.707 nan 8.360 nan 0.000 0.439 854 G N 0.307 109.261 108.800 0.257 0.000 2.224 854 G HA2 0.194 4.154 3.960 0.000 0.000 0.239 854 G HA3 0.194 4.154 3.960 0.000 0.000 0.239 854 G C 0.096 175.112 174.900 0.195 0.000 1.240 854 G CA 0.080 45.315 45.100 0.224 0.000 0.896 854 G HN 0.524 nan 8.290 nan 0.000 0.496 855 A N 3.395 126.303 122.820 0.146 0.000 2.587 855 A HA 0.336 4.656 4.320 0.000 0.000 0.233 855 A C 0.765 178.243 177.584 -0.177 0.000 1.049 855 A CA 0.512 52.383 52.037 -0.276 0.000 0.754 855 A CB 0.095 18.953 19.000 -0.238 0.000 0.977 855 A HN 0.697 nan 8.150 nan 0.000 0.509 856 M N 2.127 121.574 119.600 -0.255 0.000 2.423 856 M HA 0.231 4.711 4.480 0.000 0.000 0.335 856 M C -0.446 175.802 176.300 -0.087 0.000 1.177 856 M CA -0.653 54.590 55.300 -0.094 0.000 1.038 856 M CB 1.333 33.917 32.600 -0.027 0.000 1.641 856 M HN 0.737 nan 8.290 nan 0.000 0.455 857 N N 1.624 120.297 118.700 -0.045 0.000 2.434 857 N HA 0.278 5.018 4.740 0.000 0.000 0.272 857 N C 0.044 175.562 175.510 0.013 0.000 1.040 857 N CA -0.241 52.790 53.050 -0.031 0.000 0.956 857 N CB 0.946 39.420 38.487 -0.021 0.000 1.108 857 N HN 0.824 nan 8.380 nan 0.000 0.481 858 G N -0.003 108.830 108.800 0.056 0.000 2.720 858 G HA2 0.317 4.277 3.960 0.000 0.000 0.237 858 G HA3 0.317 4.277 3.960 0.000 0.000 0.237 858 G C 1.065 175.967 174.900 0.004 0.000 1.239 858 G CA 0.281 45.446 45.100 0.109 0.000 0.847 858 G HN 0.807 nan 8.290 nan 0.000 0.593 859 G N 0.174 108.942 108.800 -0.053 0.000 2.320 859 G HA2 -0.275 3.685 3.960 0.000 0.000 0.242 859 G HA3 -0.275 3.685 3.960 0.000 0.000 0.242 859 G C 0.388 175.340 174.900 0.088 0.000 1.033 859 G CA 0.521 45.661 45.100 0.067 0.000 0.620 859 G HN 0.814 nan 8.290 nan 0.000 0.517 860 D N 0.960 121.328 120.400 -0.053 0.000 2.455 860 D HA 0.387 5.027 4.640 0.000 0.000 0.241 860 D C 0.742 177.043 176.300 0.002 0.000 1.138 860 D CA 0.282 54.268 54.000 -0.024 0.000 0.877 860 D CB 0.782 41.538 40.800 -0.074 0.000 1.187 860 D HN 0.547 nan 8.370 nan 0.000 0.451 861 R N 3.104 123.664 120.500 0.099 0.000 2.393 861 R HA 0.474 4.814 4.340 0.000 0.000 0.315 861 R C -0.935 175.356 176.300 -0.016 0.000 0.952 861 R CA -0.576 55.564 56.100 0.067 0.000 0.842 861 R CB 0.483 30.801 30.300 0.031 0.000 1.163 861 R HN 0.374 nan 8.270 nan 0.000 0.450 862 I N 5.868 126.385 120.570 -0.088 0.000 2.464 862 I HA 0.238 4.408 4.170 0.000 0.000 0.277 862 I C -0.704 175.440 176.117 0.045 0.000 1.040 862 I CA -0.854 60.462 61.300 0.026 0.000 1.153 862 I CB 0.847 38.851 38.000 0.007 0.000 1.274 862 I HN 0.573 nan 8.210 nan 0.000 0.469 863 Y N 4.979 125.345 120.300 0.110 0.000 2.457 863 Y HA 0.050 4.600 4.550 0.000 0.000 0.341 863 Y C 1.348 177.335 175.900 0.144 0.000 1.240 863 Y CA 0.098 58.268 58.100 0.116 0.000 1.437 863 Y CB 0.323 38.833 38.460 0.083 0.000 1.328 863 Y HN 0.599 nan 8.280 nan 0.000 0.588 864 N N -0.575 118.298 118.700 0.288 0.000 2.741 864 N HA -0.311 4.430 4.740 0.000 0.000 0.251 864 N C -0.939 174.702 175.510 0.217 0.000 1.112 864 N CA 0.562 53.740 53.050 0.213 0.000 0.750 864 N CB -2.089 36.503 38.487 0.175 0.000 1.119 864 N HN 0.631 nan 8.380 nan 0.000 0.561 865 Y N 3.106 123.476 120.300 0.117 0.000 2.569 865 Y HA 0.182 4.732 4.550 0.000 0.000 0.332 865 Y C -1.837 174.126 175.900 0.105 0.000 1.120 865 Y CA -1.685 56.481 58.100 0.110 0.000 1.416 865 Y CB 0.594 39.121 38.460 0.111 0.000 1.210 865 Y HN 0.088 nan 8.280 nan 0.000 0.528 866 P HA 0.174 nan 4.420 nan 0.000 0.275 866 P C -1.353 175.765 177.300 -0.303 0.000 1.227 866 P CA -0.055 62.903 63.100 -0.236 0.000 0.781 866 P CB 1.649 33.243 31.700 -0.175 0.000 0.906 867 V N 3.779 123.623 119.914 -0.117 0.000 2.841 867 V HA 0.188 4.308 4.120 0.000 0.000 0.258 867 V C -2.432 173.652 176.094 -0.017 0.000 0.973 867 V CA -1.385 60.880 62.300 -0.058 0.000 0.921 867 V CB 1.447 33.278 31.823 0.012 0.000 1.053 867 V HN 0.462 nan 8.190 nan 0.000 0.498 868 P HA 0.235 nan 4.420 nan 0.000 0.275 868 P C 0.959 178.259 177.300 0.000 0.000 1.266 868 P CA -0.195 62.902 63.100 -0.005 0.000 0.793 868 P CB 0.880 32.576 31.700 -0.007 0.000 1.074 869 Q N 0.431 120.231 119.800 0.001 0.000 2.133 869 Q HA -0.240 4.100 4.340 0.000 0.000 0.208 869 Q C 1.755 177.746 176.000 -0.015 0.000 0.991 869 Q CA 2.616 58.413 55.803 -0.010 0.000 0.867 869 Q CB -0.449 28.286 28.738 -0.004 0.000 0.911 869 Q HN 0.567 nan 8.270 nan 0.000 0.417 870 S N -1.092 114.615 115.700 0.012 0.000 2.561 870 S HA 0.013 4.483 4.470 0.000 0.000 0.225 870 S C 0.241 174.916 174.600 0.125 0.000 0.977 870 S CA 0.048 58.280 58.200 0.053 0.000 0.926 870 S CB 0.178 63.401 63.200 0.040 0.000 0.769 870 S HN 0.255 nan 8.310 nan 0.000 0.533 871 E N 0.522 120.769 120.200 0.079 0.000 2.263 871 E HA 0.615 4.965 4.350 0.000 0.000 0.264 871 E C -1.277 175.388 176.600 0.108 0.000 0.923 871 E CA -0.715 55.760 56.400 0.126 0.000 0.802 871 E CB 2.041 31.771 29.700 0.049 0.000 1.228 871 E HN 0.197 nan 8.360 nan 0.000 0.417 872 S N 1.382 117.194 115.700 0.186 0.000 2.540 872 S HA 0.466 4.936 4.470 0.000 0.000 0.275 872 S C -2.856 171.785 174.600 0.069 0.000 1.123 872 S CA -1.621 56.651 58.200 0.120 0.000 0.907 872 S CB 1.345 64.613 63.200 0.112 0.000 1.081 872 S HN 0.125 nan 8.310 nan 0.000 0.476 873 P HA 0.477 nan 4.420 nan 0.000 0.270 873 P C -1.153 176.070 177.300 -0.128 0.000 1.242 873 P CA 0.149 63.240 63.100 -0.015 0.000 0.768 873 P CB -0.060 31.827 31.700 0.312 0.000 0.820 874 I N 4.565 124.777 120.570 -0.596 0.000 2.667 874 I HA 0.370 4.540 4.170 0.000 0.000 0.288 874 I C -0.733 175.124 176.117 -0.433 0.000 1.267 874 I CA -0.398 60.771 61.300 -0.219 0.000 1.055 874 I CB 1.287 39.338 38.000 0.084 0.000 1.294 874 I HN 0.165 nan 8.210 nan 0.000 0.429 875 F N 4.848 124.854 119.950 0.093 0.000 2.588 875 F HA 0.737 5.264 4.527 0.000 0.000 0.314 875 F C -0.414 175.490 175.800 0.173 0.000 1.069 875 F CA -1.413 56.671 58.000 0.140 0.000 0.931 875 F CB 1.833 40.860 39.000 0.046 0.000 1.260 875 F HN -0.114 nan 8.300 nan 0.000 0.465 876 V N 1.853 121.937 119.914 0.283 0.000 2.417 876 V HA 0.437 4.557 4.120 0.000 0.000 0.291 876 V C 0.083 176.198 176.094 0.034 0.000 1.024 876 V CA -0.931 61.331 62.300 -0.063 0.000 0.861 876 V CB 1.543 32.849 31.823 -0.860 0.000 0.985 876 V HN 0.703 nan 8.190 nan 0.000 0.436 877 R N 2.911 123.368 120.500 -0.072 0.000 2.679 877 R HA 0.143 4.483 4.340 0.000 0.000 0.268 877 R C 0.729 176.890 176.300 -0.231 0.000 1.044 877 R CA -0.156 55.690 56.100 -0.423 0.000 1.105 877 R CB 0.611 30.602 30.300 -0.516 0.000 0.989 877 R HN 0.934 nan 8.270 nan 0.000 0.447 878 E N 1.796 121.871 120.200 -0.210 0.000 2.428 878 E HA 0.099 4.449 4.350 0.000 0.000 0.257 878 E C 0.220 176.800 176.600 -0.033 0.000 1.197 878 E CA -0.020 56.377 56.400 -0.005 0.000 0.974 878 E CB 0.308 30.024 29.700 0.025 0.000 0.976 878 E HN 0.757 nan 8.360 nan 0.000 0.463 879 G N -0.056 108.758 108.800 0.023 0.000 2.338 879 G HA2 -0.082 3.878 3.960 0.000 0.000 0.296 879 G HA3 -0.082 3.878 3.960 0.000 0.000 0.296 879 G C -0.126 174.799 174.900 0.042 0.000 1.040 879 G CA 0.237 45.342 45.100 0.008 0.000 1.004 879 G HN 0.886 nan 8.290 nan 0.000 0.509 880 A N 0.005 122.865 122.820 0.068 0.000 2.343 880 A HA 0.835 5.155 4.320 0.000 0.000 0.308 880 A C -0.110 177.579 177.584 0.176 0.000 1.092 880 A CA -0.700 51.383 52.037 0.077 0.000 0.751 880 A CB 1.250 20.174 19.000 -0.126 0.000 1.203 880 A HN 0.797 nan 8.150 nan 0.000 0.452 881 I N 2.378 123.039 120.570 0.152 0.000 2.433 881 I HA 0.483 4.653 4.170 0.000 0.000 0.292 881 I C -0.840 175.396 176.117 0.197 0.000 1.001 881 I CA -0.484 60.932 61.300 0.194 0.000 1.119 881 I CB 1.771 39.828 38.000 0.095 0.000 1.289 881 I HN 0.471 nan 8.210 nan 0.000 0.438 882 L N 7.553 128.928 121.223 0.253 0.000 2.376 882 L HA 0.499 4.839 4.340 0.000 0.000 0.275 882 L C -2.445 174.492 176.870 0.113 0.000 0.987 882 L CA -1.798 53.109 54.840 0.111 0.000 0.828 882 L CB 2.588 44.683 42.059 0.060 0.000 1.249 882 L HN 0.305 nan 8.230 nan 0.000 0.409 883 P HA 0.198 nan 4.420 nan 0.000 0.276 883 P C -0.970 176.300 177.300 -0.049 0.000 1.243 883 P CA -0.139 62.837 63.100 -0.205 0.000 0.768 883 P CB 1.072 32.666 31.700 -0.176 0.000 0.856 884 T N 4.036 118.596 114.554 0.010 0.000 2.900 884 T HA 0.574 4.924 4.350 0.000 0.000 0.295 884 T C -0.336 174.444 174.700 0.133 0.000 1.044 884 T CA -0.838 61.374 62.100 0.186 0.000 0.995 884 T CB 1.588 70.680 68.868 0.372 0.000 1.072 884 T HN 0.216 nan 8.240 nan 0.000 0.473 885 R N 1.321 121.835 120.500 0.024 0.000 2.575 885 R HA 0.548 4.888 4.340 0.000 0.000 0.293 885 R C -1.605 174.681 176.300 -0.024 0.000 0.983 885 R CA -0.692 55.477 56.100 0.115 0.000 0.887 885 R CB 1.583 31.976 30.300 0.155 0.000 1.184 885 R HN 0.716 nan 8.270 nan 0.000 0.445 886 Y N -0.464 119.965 120.300 0.215 0.000 2.570 886 Y HA 0.381 4.931 4.550 0.000 0.000 0.345 886 Y C 0.871 176.816 175.900 0.075 0.000 1.014 886 Y CA -0.923 57.294 58.100 0.195 0.000 1.063 886 Y CB 2.060 40.659 38.460 0.233 0.000 1.272 886 Y HN 0.511 nan 8.280 nan 0.000 0.477 887 T N -0.437 114.223 114.554 0.177 0.000 2.889 887 T HA 0.166 4.516 4.350 0.000 0.000 0.291 887 T C 0.822 175.536 174.700 0.024 0.000 0.995 887 T CA -0.738 61.324 62.100 -0.063 0.000 1.092 887 T CB 1.226 70.016 68.868 -0.129 0.000 0.954 887 T HN 0.627 nan 8.240 nan 0.000 0.506 888 L N 2.194 123.393 121.223 -0.039 0.000 2.051 888 L HA -0.153 4.187 4.340 0.000 0.000 0.214 888 L C 1.874 178.783 176.870 0.066 0.000 1.076 888 L CA 2.273 57.126 54.840 0.021 0.000 0.758 888 L CB -0.998 41.056 42.059 -0.009 0.000 0.890 888 L HN 0.959 nan 8.230 nan 0.000 0.433 889 N N -2.174 116.542 118.700 0.025 0.000 2.250 889 N HA 0.199 4.939 4.740 0.000 0.000 0.190 889 N C 1.365 176.889 175.510 0.023 0.000 1.116 889 N CA 0.845 53.906 53.050 0.019 0.000 0.881 889 N CB 0.268 38.752 38.487 -0.005 0.000 1.006 889 N HN 0.306 nan 8.380 nan 0.000 0.491 890 G N -0.104 108.722 108.800 0.044 0.000 2.213 890 G HA2 -0.256 3.704 3.960 0.000 0.000 0.236 890 G HA3 -0.256 3.704 3.960 0.000 0.000 0.236 890 G C -0.464 174.452 174.900 0.027 0.000 0.991 890 G CA -0.081 45.048 45.100 0.048 0.000 0.629 890 G HN 0.317 nan 8.290 nan 0.000 0.517 891 E N 1.822 122.026 120.200 0.008 0.000 2.498 891 E HA 0.056 4.406 4.350 0.000 0.000 0.252 891 E C 0.279 176.889 176.600 0.016 0.000 1.025 891 E CA -0.227 56.175 56.400 0.004 0.000 0.938 891 E CB 0.153 29.849 29.700 -0.006 0.000 0.947 891 E HN 0.322 nan 8.360 nan 0.000 0.478 892 N N 4.039 122.753 118.700 0.023 0.000 2.394 892 N HA -0.082 4.658 4.740 0.000 0.000 0.277 892 N C 0.083 175.630 175.510 0.061 0.000 1.346 892 N CA 0.761 53.833 53.050 0.036 0.000 0.910 892 N CB 0.316 38.802 38.487 -0.002 0.000 1.201 892 N HN 0.417 nan 8.380 nan 0.000 0.488 893 K N -0.787 119.686 120.400 0.120 0.000 2.433 893 K HA 0.499 4.819 4.320 0.000 0.000 0.252 893 K C -0.280 176.528 176.600 0.346 0.000 1.015 893 K CA -0.951 55.433 56.287 0.161 0.000 0.860 893 K CB 0.887 33.438 32.500 0.085 0.000 1.359 893 K HN 0.257 nan 8.250 nan 0.000 0.452 894 S N 0.660 116.528 115.700 0.280 0.000 2.572 894 S HA 0.097 4.567 4.470 0.000 0.000 0.279 894 S C 1.311 176.139 174.600 0.380 0.000 1.341 894 S CA -0.752 57.630 58.200 0.303 0.000 1.043 894 S CB 0.188 63.441 63.200 0.089 0.000 0.887 894 S HN 0.637 nan 8.310 nan 0.000 0.516 895 L N 1.577 122.907 121.223 0.178 0.000 2.261 895 L HA -0.165 4.175 4.340 0.000 0.000 0.216 895 L C 2.317 179.204 176.870 0.028 0.000 1.114 895 L CA 1.645 56.390 54.840 -0.158 0.000 0.777 895 L CB -1.055 40.765 42.059 -0.398 0.000 0.910 895 L HN 0.911 nan 8.230 nan 0.000 0.440 896 N N -1.242 117.522 118.700 0.108 0.000 2.422 896 N HA -0.126 4.614 4.740 0.000 0.000 0.181 896 N C 1.354 177.056 175.510 0.320 0.000 1.080 896 N CA 1.051 54.229 53.050 0.214 0.000 0.893 896 N CB -0.243 38.304 38.487 0.100 0.000 0.973 896 N HN 0.231 nan 8.380 nan 0.000 0.456 897 T N -4.428 110.292 114.554 0.277 0.000 3.105 897 T HA 0.166 4.516 4.350 0.000 0.000 0.253 897 T C -0.175 174.659 174.700 0.222 0.000 1.047 897 T CA -0.522 61.710 62.100 0.220 0.000 0.944 897 T CB -0.600 68.354 68.868 0.143 0.000 1.016 897 T HN 0.007 nan 8.240 nan 0.000 0.544 898 Y N 3.616 123.964 120.300 0.080 0.000 2.411 898 Y HA 0.431 4.981 4.550 0.000 0.000 0.333 898 Y C 1.386 177.312 175.900 0.044 0.000 1.186 898 Y CA -0.389 57.748 58.100 0.063 0.000 1.381 898 Y CB 0.684 39.178 38.460 0.058 0.000 1.273 898 Y HN 0.308 nan 8.280 nan 0.000 0.546 899 T N -2.036 112.584 114.554 0.109 0.000 2.907 899 T HA 0.274 4.624 4.350 0.000 0.000 0.290 899 T C 0.324 175.034 174.700 0.016 0.000 1.066 899 T CA -0.932 61.196 62.100 0.046 0.000 1.012 899 T CB 1.506 70.371 68.868 -0.004 0.000 1.184 899 T HN 0.400 nan 8.240 nan 0.000 0.522 900 D N 0.226 120.564 120.400 -0.103 0.000 2.264 900 D HA -0.058 4.582 4.640 0.000 0.000 0.208 900 D C 1.734 177.961 176.300 -0.121 0.000 0.966 900 D CA 0.700 54.512 54.000 -0.314 0.000 0.864 900 D CB 0.080 40.443 40.800 -0.729 0.000 0.933 900 D HN 0.562 nan 8.370 nan 0.000 0.499 901 E N 0.915 121.083 120.200 -0.052 0.000 2.401 901 E HA -0.066 4.284 4.350 0.000 0.000 0.199 901 E C 0.079 176.705 176.600 0.043 0.000 1.023 901 E CA 0.481 56.887 56.400 0.010 0.000 0.859 901 E CB -0.073 29.623 29.700 -0.007 0.000 0.780 901 E HN 0.447 nan 8.360 nan 0.000 0.523 902 D N 2.473 122.897 120.400 0.039 0.000 2.343 902 D HA 0.129 4.769 4.640 0.000 0.000 0.255 902 D C -2.348 174.036 176.300 0.139 0.000 1.187 902 D CA -1.524 52.492 54.000 0.027 0.000 0.875 902 D CB 0.975 41.746 40.800 -0.048 0.000 1.136 902 D HN -0.113 nan 8.370 nan 0.000 0.469 903 P HA -0.063 nan 4.420 nan 0.000 0.261 903 P C -0.346 177.070 177.300 0.194 0.000 1.173 903 P CA -0.130 62.932 63.100 -0.064 0.000 0.760 903 P CB 0.402 31.532 31.700 -0.950 0.000 0.783 904 L N 5.955 127.368 121.223 0.316 0.000 2.294 904 L HA 0.420 4.760 4.340 0.000 0.000 0.283 904 L C -1.009 176.001 176.870 0.232 0.000 1.015 904 L CA -0.397 54.550 54.840 0.179 0.000 0.831 904 L CB 1.092 43.111 42.059 -0.067 0.000 1.217 904 L HN 0.027 nan 8.230 nan 0.000 0.420 905 V N 5.029 125.075 119.914 0.219 0.000 2.713 905 V HA 0.488 4.608 4.120 0.000 0.000 0.307 905 V C -0.514 175.607 176.094 0.044 0.000 1.052 905 V CA -0.324 62.174 62.300 0.330 0.000 0.967 905 V CB 1.684 33.797 31.823 0.483 0.000 1.019 905 V HN 0.556 nan 8.190 nan 0.000 0.459 906 F N 1.425 121.556 119.950 0.303 0.000 2.375 906 F HA 0.404 4.931 4.527 0.000 0.000 0.361 906 F C 0.480 176.337 175.800 0.096 0.000 1.117 906 F CA -0.403 57.717 58.000 0.200 0.000 1.037 906 F CB 1.278 40.406 39.000 0.212 0.000 1.192 906 F HN 0.468 nan 8.300 nan 0.000 0.452 907 E N 3.121 123.443 120.200 0.204 0.000 2.052 907 E HA 0.279 4.630 4.350 0.000 0.000 0.283 907 E C -0.868 175.726 176.600 -0.010 0.000 1.071 907 E CA -0.375 56.010 56.400 -0.026 0.000 0.851 907 E CB 0.856 30.494 29.700 -0.103 0.000 1.066 907 E HN 0.348 nan 8.360 nan 0.000 0.396 908 V N 6.721 126.591 119.914 -0.074 0.000 2.338 908 V HA 0.106 4.226 4.120 0.000 0.000 0.255 908 V C 0.117 176.140 176.094 -0.120 0.000 1.082 908 V CA -0.153 62.133 62.300 -0.024 0.000 0.951 908 V CB -0.888 30.913 31.823 -0.037 0.000 1.102 908 V HN 0.554 nan 8.190 nan 0.000 0.489 909 F N 5.492 125.398 119.950 -0.074 0.000 2.485 909 F HA 0.278 4.805 4.527 0.000 0.000 0.327 909 F C -1.259 174.467 175.800 -0.122 0.000 1.203 909 F CA -1.670 56.254 58.000 -0.126 0.000 1.295 909 F CB -0.145 38.781 39.000 -0.122 0.000 1.191 909 F HN 0.304 nan 8.300 nan 0.000 0.588 910 P HA -0.021 nan 4.420 nan 0.000 0.269 910 P C -0.689 176.664 177.300 0.088 0.000 1.205 910 P CA 0.220 63.316 63.100 -0.006 0.000 0.780 910 P CB 0.356 32.008 31.700 -0.080 0.000 0.858 911 L N 0.601 121.861 121.223 0.062 0.000 2.439 911 L HA 0.654 4.994 4.340 0.000 0.000 0.259 911 L C 1.146 178.035 176.870 0.032 0.000 1.129 911 L CA -0.205 54.655 54.840 0.034 0.000 0.803 911 L CB 0.629 42.691 42.059 0.004 0.000 1.161 911 L HN 0.384 nan 8.230 nan 0.000 0.462 912 G N 0.137 108.933 108.800 -0.006 0.000 2.782 912 G HA2 0.361 4.321 3.960 0.000 0.000 0.289 912 G HA3 0.361 4.321 3.960 0.000 0.000 0.289 912 G C -0.481 174.395 174.900 -0.040 0.000 1.463 912 G CA -0.368 44.713 45.100 -0.032 0.000 1.019 912 G HN 0.698 nan 8.290 nan 0.000 0.536 913 N N 2.776 121.455 118.700 -0.035 0.000 2.758 913 N HA -0.212 4.528 4.740 0.000 0.000 0.248 913 N C 0.371 175.859 175.510 -0.036 0.000 1.076 913 N CA 0.916 53.944 53.050 -0.036 0.000 0.696 913 N CB -1.371 37.090 38.487 -0.043 0.000 0.979 913 N HN 0.865 nan 8.380 nan 0.000 0.550 914 N N -2.232 116.451 118.700 -0.028 0.000 2.714 914 N HA -0.250 4.490 4.740 0.000 0.000 0.250 914 N C 0.177 175.661 175.510 -0.044 0.000 1.117 914 N CA 1.705 54.737 53.050 -0.031 0.000 0.719 914 N CB -0.539 37.930 38.487 -0.029 0.000 1.081 914 N HN 0.724 nan 8.380 nan 0.000 0.557 915 R N 0.511 120.980 120.500 -0.050 0.000 2.892 915 R HA 0.848 5.188 4.340 0.000 0.000 0.265 915 R C -1.368 174.889 176.300 -0.073 0.000 1.025 915 R CA -0.007 56.049 56.100 -0.074 0.000 0.982 915 R CB 1.773 32.023 30.300 -0.083 0.000 1.185 915 R HN 0.157 nan 8.270 nan 0.000 0.484 916 A N 2.333 125.089 122.820 -0.108 0.000 2.572 916 A HA 0.445 4.765 4.320 0.000 0.000 0.303 916 A C -2.115 175.366 177.584 -0.170 0.000 1.059 916 A CA -0.862 51.117 52.037 -0.097 0.000 0.788 916 A CB 1.189 20.165 19.000 -0.041 0.000 1.282 916 A HN 0.729 nan 8.150 nan 0.000 0.397 917 D N -0.007 120.261 120.400 -0.221 0.000 2.756 917 D HA 0.695 5.335 4.640 0.000 0.000 0.226 917 D C 0.075 176.326 176.300 -0.082 0.000 1.186 917 D CA 0.297 54.116 54.000 -0.302 0.000 0.845 917 D CB 2.085 42.482 40.800 -0.672 0.000 1.610 917 D HN 0.910 nan 8.370 nan 0.000 0.465 918 G N -0.013 108.751 108.800 -0.060 0.000 2.642 918 G HA2 0.674 4.634 3.960 0.000 0.000 0.293 918 G HA3 0.674 4.634 3.960 0.000 0.000 0.293 918 G C -1.409 173.535 174.900 0.074 0.000 1.341 918 G CA -0.786 44.356 45.100 0.070 0.000 0.916 918 G HN 0.413 nan 8.290 nan 0.000 0.474 919 M N 0.508 120.196 119.600 0.147 0.000 2.446 919 M HA 0.618 5.098 4.480 0.000 0.000 0.294 919 M C -1.827 174.592 176.300 0.199 0.000 1.158 919 M CA -0.691 54.709 55.300 0.166 0.000 0.899 919 M CB 2.203 34.919 32.600 0.193 0.000 1.687 919 M HN 0.743 nan 8.290 nan 0.000 0.455 920 C N 4.515 123.944 119.300 0.216 0.000 2.607 920 C HA 0.522 4.982 4.460 0.000 0.000 0.350 920 C C -1.396 173.684 174.990 0.149 0.000 1.101 920 C CA -0.543 58.595 59.018 0.199 0.000 1.282 920 C CB 0.921 28.815 27.740 0.258 0.000 1.825 920 C HN 0.943 nan 8.230 nan 0.000 0.460 921 Y N 5.428 125.704 120.300 -0.040 0.000 2.304 921 Y HA 0.752 5.302 4.550 0.000 0.000 0.327 921 Y C -0.710 175.164 175.900 -0.044 0.000 1.209 921 Y CA -0.068 57.919 58.100 -0.189 0.000 1.299 921 Y CB 0.698 38.925 38.460 -0.389 0.000 1.249 921 Y HN 0.716 nan 8.280 nan 0.000 0.519 922 L N 6.068 126.890 121.223 -0.668 0.000 2.464 922 L HA 0.447 4.787 4.340 0.000 0.000 0.266 922 L C -1.446 174.916 176.870 -0.847 0.000 0.965 922 L CA -0.819 53.751 54.840 -0.451 0.000 0.833 922 L CB 2.098 44.073 42.059 -0.140 0.000 1.296 922 L HN 0.807 nan 8.230 nan 0.000 0.405 923 D N -0.658 119.301 120.400 -0.736 0.000 2.838 923 D HA 0.163 4.803 4.640 0.000 0.000 0.334 923 D C -0.181 175.674 176.300 -0.741 0.000 1.315 923 D CA -0.541 52.915 54.000 -0.907 0.000 0.917 923 D CB 0.408 41.090 40.800 -0.196 0.000 1.435 923 D HN 0.455 nan 8.370 nan 0.000 0.517 924 D N -1.439 118.811 120.400 -0.250 0.000 2.378 924 D HA 0.222 4.862 4.640 0.000 0.000 0.227 924 D C 1.566 177.881 176.300 0.026 0.000 1.012 924 D CA 0.734 54.745 54.000 0.018 0.000 0.905 924 D CB -0.396 40.483 40.800 0.133 0.000 0.895 924 D HN 0.945 nan 8.370 nan 0.000 0.532 925 G N -1.054 107.752 108.800 0.011 0.000 2.143 925 G HA2 -0.056 3.904 3.960 0.000 0.000 0.249 925 G HA3 -0.056 3.904 3.960 0.000 0.000 0.249 925 G C 1.085 176.014 174.900 0.049 0.000 0.981 925 G CA 0.230 45.320 45.100 -0.017 0.000 0.665 925 G HN 1.378 nan 8.290 nan 0.000 0.528 926 G N -2.508 106.356 108.800 0.107 0.000 2.184 926 G HA2 -0.106 3.854 3.960 0.000 0.000 0.206 926 G HA3 -0.106 3.854 3.960 0.000 0.000 0.206 926 G C 1.318 176.358 174.900 0.233 0.000 0.995 926 G CA 0.984 46.158 45.100 0.124 0.000 0.651 926 G HN 1.401 nan 8.290 nan 0.000 0.511 927 V N 1.176 121.190 119.914 0.166 0.000 2.324 927 V HA 0.010 4.130 4.120 0.000 0.000 0.250 927 V C 1.819 177.901 176.094 -0.020 0.000 1.060 927 V CA 2.797 65.060 62.300 -0.060 0.000 1.042 927 V CB -0.766 30.984 31.823 -0.121 0.000 0.650 927 V HN 1.288 nan 8.190 nan 0.000 0.450 928 T N -3.533 111.038 114.554 0.028 0.000 2.906 928 T HA 0.387 4.737 4.350 0.000 0.000 0.295 928 T C 0.361 175.089 174.700 0.047 0.000 1.075 928 T CA 0.160 62.276 62.100 0.028 0.000 1.005 928 T CB 1.817 70.698 68.868 0.021 0.000 1.136 928 T HN 0.255 nan 8.240 nan 0.000 0.498 929 T N -1.072 113.503 114.554 0.036 0.000 3.324 929 T HA 0.202 4.552 4.350 0.000 0.000 0.250 929 T C 0.908 175.637 174.700 0.048 0.000 1.059 929 T CA -0.172 61.950 62.100 0.037 0.000 0.951 929 T CB -1.078 67.802 68.868 0.020 0.000 1.030 929 T HN 0.689 nan 8.240 nan 0.000 0.576 930 N N 0.863 119.599 118.700 0.060 0.000 2.354 930 N HA 0.142 4.882 4.740 0.000 0.000 0.179 930 N C 2.246 177.824 175.510 0.113 0.000 1.021 930 N CA 0.611 53.704 53.050 0.071 0.000 0.887 930 N CB -0.142 38.382 38.487 0.061 0.000 0.974 930 N HN 0.527 nan 8.380 nan 0.000 0.437 931 A N 2.442 125.347 122.820 0.141 0.000 1.859 931 A HA -0.234 4.086 4.320 0.000 0.000 0.217 931 A C 2.094 179.818 177.584 0.234 0.000 1.198 931 A CA 1.759 53.942 52.037 0.244 0.000 0.629 931 A CB -0.555 18.571 19.000 0.210 0.000 0.830 931 A HN 0.458 nan 8.150 nan 0.000 0.446 932 E N -0.479 119.785 120.200 0.106 0.000 2.208 932 E HA -0.172 4.178 4.350 0.000 0.000 0.193 932 E C 0.556 177.193 176.600 0.060 0.000 0.988 932 E CA 1.391 57.823 56.400 0.052 0.000 0.828 932 E CB -0.442 29.257 29.700 -0.002 0.000 0.763 932 E HN 0.576 nan 8.360 nan 0.000 0.478 933 D N 0.783 121.221 120.400 0.063 0.000 2.301 933 D HA 0.034 4.674 4.640 0.000 0.000 0.206 933 D C 0.625 176.957 176.300 0.054 0.000 0.979 933 D CA 0.557 54.583 54.000 0.043 0.000 0.874 933 D CB 0.021 40.839 40.800 0.030 0.000 0.968 933 D HN 0.320 nan 8.370 nan 0.000 0.510 934 N N -1.141 117.606 118.700 0.078 0.000 2.167 934 N HA 0.243 4.983 4.740 0.000 0.000 0.234 934 N C 0.672 176.224 175.510 0.070 0.000 1.312 934 N CA 0.254 53.340 53.050 0.062 0.000 0.861 934 N CB 2.147 40.660 38.487 0.043 0.000 1.217 934 N HN 0.033 nan 8.380 nan 0.000 0.504 935 G N 1.530 110.416 108.800 0.144 0.000 2.155 935 G HA2 -0.324 3.636 3.960 0.000 0.000 0.257 935 G HA3 -0.324 3.636 3.960 0.000 0.000 0.257 935 G C 0.225 175.109 174.900 -0.025 0.000 0.983 935 G CA 0.231 45.414 45.100 0.139 0.000 0.676 935 G HN 0.129 nan 8.290 nan 0.000 0.528 936 K N 0.607 121.066 120.400 0.099 0.000 2.199 936 K HA 0.519 4.839 4.320 0.000 0.000 0.226 936 K C 0.174 176.849 176.600 0.126 0.000 1.237 936 K CA 0.083 56.399 56.287 0.049 0.000 1.170 936 K CB -0.887 31.661 32.500 0.079 0.000 1.418 936 K HN 0.636 nan 8.250 nan 0.000 0.255 937 F N -3.141 116.756 119.950 -0.090 0.000 2.745 937 F HA 0.695 5.222 4.527 0.000 0.000 0.316 937 F C -0.499 175.124 175.800 -0.295 0.000 1.155 937 F CA -1.142 56.692 58.000 -0.277 0.000 0.937 937 F CB 1.083 39.867 39.000 -0.359 0.000 1.361 937 F HN -0.150 nan 8.300 nan 0.000 0.472 938 S N -0.191 115.352 115.700 -0.262 0.000 2.667 938 S HA 0.836 5.306 4.470 0.000 0.000 0.292 938 S C -1.484 173.027 174.600 -0.148 0.000 1.126 938 S CA -0.755 57.320 58.200 -0.207 0.000 0.881 938 S CB 2.188 65.281 63.200 -0.177 0.000 1.132 938 S HN 0.686 nan 8.310 nan 0.000 0.492 939 V N 1.882 121.799 119.914 0.004 0.000 2.658 939 V HA 0.239 4.359 4.120 0.000 0.000 0.259 939 V C -0.757 175.407 176.094 0.117 0.000 0.933 939 V CA -0.608 61.712 62.300 0.033 0.000 0.871 939 V CB 1.138 33.032 31.823 0.117 0.000 1.062 939 V HN 0.648 nan 8.190 nan 0.000 0.479 940 V N 4.579 124.571 119.914 0.130 0.000 2.479 940 V HA 0.241 4.361 4.120 0.000 0.000 0.281 940 V C 0.581 176.722 176.094 0.078 0.000 1.031 940 V CA 0.106 62.483 62.300 0.129 0.000 1.038 940 V CB 0.878 32.803 31.823 0.171 0.000 0.981 940 V HN 0.679 nan 8.190 nan 0.000 0.478 941 K N 3.744 124.154 120.400 0.017 0.000 2.118 941 K HA 0.803 5.123 4.320 0.000 0.000 0.254 941 K C -0.937 175.511 176.600 -0.253 0.000 0.961 941 K CA -0.681 55.571 56.287 -0.059 0.000 0.876 941 K CB 2.520 35.008 32.500 -0.019 0.000 1.077 941 K HN 0.434 nan 8.250 nan 0.000 0.440 942 V N 0.197 119.892 119.914 -0.364 0.000 2.888 942 V HA 0.769 4.889 4.120 0.000 0.000 0.309 942 V C -1.821 174.018 176.094 -0.425 0.000 1.114 942 V CA -0.439 61.469 62.300 -0.653 0.000 0.940 942 V CB 1.883 33.004 31.823 -1.170 0.000 1.021 942 V HN 0.937 nan 8.190 nan 0.000 0.426 943 A N 4.697 127.282 122.820 -0.392 0.000 2.435 943 A HA 1.046 5.366 4.320 0.000 0.000 0.304 943 A C -0.453 176.997 177.584 -0.224 0.000 1.064 943 A CA -0.197 51.684 52.037 -0.261 0.000 0.727 943 A CB 1.952 20.837 19.000 -0.192 0.000 1.284 943 A HN 2.240 nan 8.150 nan 0.000 0.415 944 A N 1.352 124.071 122.820 -0.170 0.000 2.356 944 A HA 0.769 5.090 4.320 0.000 0.000 0.310 944 A C -0.767 176.762 177.584 -0.092 0.000 1.075 944 A CA -0.379 51.586 52.037 -0.120 0.000 0.746 944 A CB 1.006 19.944 19.000 -0.103 0.000 1.221 944 A HN 0.755 nan 8.150 nan 0.000 0.443 945 E N 1.319 121.476 120.200 -0.071 0.000 2.316 945 E HA 0.258 4.608 4.350 0.000 0.000 0.254 945 E C -1.163 175.411 176.600 -0.043 0.000 0.902 945 E CA -0.559 55.807 56.400 -0.057 0.000 0.801 945 E CB 1.715 31.382 29.700 -0.056 0.000 1.270 945 E HN 0.632 nan 8.360 nan 0.000 0.414 946 Q N 2.672 122.448 119.800 -0.039 0.000 2.286 946 Q HA 0.168 4.508 4.340 0.000 0.000 0.257 946 Q C -1.221 174.763 176.000 -0.028 0.000 0.941 946 Q CA 0.183 55.967 55.803 -0.031 0.000 0.912 946 Q CB 0.911 29.632 28.738 -0.027 0.000 1.192 946 Q HN 0.290 nan 8.270 nan 0.000 0.410 947 D N 3.236 123.622 120.400 -0.025 0.000 2.402 947 D HA 0.408 5.048 4.640 0.000 0.000 0.252 947 D C 0.519 176.808 176.300 -0.019 0.000 1.294 947 D CA 0.674 54.661 54.000 -0.022 0.000 0.948 947 D CB 0.758 41.545 40.800 -0.022 0.000 1.202 947 D HN 0.712 nan 8.370 nan 0.000 0.561 948 G N 3.583 112.374 108.800 -0.016 0.000 5.059 948 G HA2 -0.304 3.656 3.960 0.000 0.000 0.336 948 G HA3 -0.304 3.656 3.960 0.000 0.000 0.336 948 G C 0.824 175.716 174.900 -0.013 0.000 1.364 948 G CA 0.522 45.614 45.100 -0.013 0.000 1.020 948 G HN 0.964 nan 8.290 nan 0.000 0.807 949 G N -0.568 108.224 108.800 -0.015 0.000 4.530 949 G HA2 0.522 4.482 3.960 0.000 0.000 0.284 949 G HA3 0.522 4.482 3.960 0.000 0.000 0.284 949 G C -0.159 174.729 174.900 -0.020 0.000 1.008 949 G CA 1.226 46.316 45.100 -0.016 0.000 0.770 949 G HN 1.037 nan 8.290 nan 0.000 0.424 950 T N 0.586 115.128 114.554 -0.021 0.000 2.840 950 T HA 0.473 4.823 4.350 0.000 0.000 0.287 950 T C -0.986 173.700 174.700 -0.024 0.000 0.991 950 T CA -0.396 61.691 62.100 -0.022 0.000 0.964 950 T CB 2.587 71.443 68.868 -0.020 0.000 0.954 950 T HN 0.225 nan 8.240 nan 0.000 0.438 951 E N 2.080 122.264 120.200 -0.026 0.000 2.166 951 E HA 0.534 4.884 4.350 0.000 0.000 0.275 951 E C -0.958 175.630 176.600 -0.019 0.000 0.941 951 E CA -0.535 55.848 56.400 -0.028 0.000 0.784 951 E CB 0.884 30.563 29.700 -0.035 0.000 1.115 951 E HN 0.456 nan 8.360 nan 0.000 0.399 952 T N 5.097 119.637 114.554 -0.023 0.000 2.840 952 T HA 0.442 4.792 4.350 0.000 0.000 0.287 952 T C -0.412 174.270 174.700 -0.029 0.000 0.991 952 T CA -0.481 61.611 62.100 -0.013 0.000 0.964 952 T CB 0.402 69.261 68.868 -0.014 0.000 0.954 952 T HN 0.381 nan 8.240 nan 0.000 0.438 953 I N 3.438 124.004 120.570 -0.006 0.000 2.359 953 I HA 0.288 4.458 4.170 0.000 0.000 0.284 953 I C 0.380 176.493 176.117 -0.007 0.000 1.018 953 I CA -0.493 60.781 61.300 -0.044 0.000 1.173 953 I CB 1.281 39.290 38.000 0.015 0.000 1.326 953 I HN 0.502 nan 8.210 nan 0.000 0.462 954 T N 5.628 120.120 114.554 -0.103 0.000 2.907 954 T HA 0.538 4.888 4.350 0.000 0.000 0.284 954 T C -0.488 174.097 174.700 -0.192 0.000 1.004 954 T CA -0.206 61.871 62.100 -0.038 0.000 1.063 954 T CB 0.885 69.723 68.868 -0.050 0.000 0.992 954 T HN 0.109 nan 8.240 nan 0.000 0.483 955 F N 1.797 121.686 119.950 -0.102 0.000 2.482 955 F HA 0.550 5.077 4.527 0.000 0.000 0.331 955 F C 0.981 176.712 175.800 -0.114 0.000 1.115 955 F CA -0.685 57.223 58.000 -0.153 0.000 0.955 955 F CB 2.061 40.948 39.000 -0.188 0.000 1.136 955 F HN 0.627 nan 8.300 nan 0.000 0.452 956 T N -0.176 114.387 114.554 0.015 0.000 2.831 956 T HA 0.708 5.058 4.350 0.000 0.000 0.287 956 T C -1.112 173.595 174.700 0.012 0.000 1.070 956 T CA -1.196 60.907 62.100 0.005 0.000 1.010 956 T CB 2.199 71.059 68.868 -0.013 0.000 1.264 956 T HN 0.635 nan 8.240 nan 0.000 0.532 957 N N -1.409 117.304 118.700 0.021 0.000 2.416 957 N HA 0.510 5.251 4.740 0.000 0.000 0.276 957 N C -0.761 174.796 175.510 0.079 0.000 1.261 957 N CA -0.910 52.177 53.050 0.061 0.000 0.790 957 N CB 1.402 39.941 38.487 0.087 0.000 1.554 957 N HN 0.347 nan 8.380 nan 0.000 0.481 958 D N -0.675 119.797 120.400 0.120 0.000 2.333 958 D HA 0.136 4.776 4.640 0.000 0.000 0.208 958 D C 0.281 176.649 176.300 0.113 0.000 0.984 958 D CA 0.672 54.759 54.000 0.145 0.000 0.873 958 D CB -0.280 40.664 40.800 0.240 0.000 0.935 958 D HN 0.727 nan 8.370 nan 0.000 0.521 959 C N -2.698 116.655 119.300 0.088 0.000 3.132 959 C HA 0.572 5.032 4.460 0.000 0.000 0.336 959 C C -1.759 173.296 174.990 0.108 0.000 1.387 959 C CA -1.318 57.719 59.018 0.032 0.000 1.202 959 C CB 0.604 28.282 27.740 -0.103 0.000 1.451 959 C HN 0.142 nan 8.230 nan 0.000 0.433 960 Y N 0.497 120.714 120.300 -0.139 0.000 2.577 960 Y HA 0.433 4.983 4.550 0.000 0.000 0.294 960 Y C 0.262 176.104 175.900 -0.097 0.000 1.120 960 Y CA 0.119 58.165 58.100 -0.090 0.000 1.411 960 Y CB 0.282 38.722 38.460 -0.033 0.000 1.148 960 Y HN 0.818 nan 8.280 nan 0.000 0.515 961 E N 2.112 122.151 120.200 -0.268 0.000 2.498 961 E HA 0.136 4.486 4.350 0.000 0.000 0.203 961 E C -1.361 175.131 176.600 -0.180 0.000 1.013 961 E CA 0.292 56.568 56.400 -0.206 0.000 0.927 961 E CB 0.369 29.923 29.700 -0.243 0.000 1.012 961 E HN 0.481 nan 8.360 nan 0.000 0.482 962 Y N -0.089 119.929 120.300 -0.470 0.000 2.338 962 Y HA 0.401 4.951 4.550 0.000 0.000 0.333 962 Y C -0.940 174.623 175.900 -0.561 0.000 0.968 962 Y CA -1.064 56.805 58.100 -0.386 0.000 1.123 962 Y CB 1.196 39.489 38.460 -0.280 0.000 1.165 962 Y HN -0.339 nan 8.280 nan 0.000 0.452 963 V N 8.289 127.701 119.914 -0.837 0.000 2.353 963 V HA 0.100 4.220 4.120 0.000 0.000 0.264 963 V C 0.003 175.808 176.094 -0.481 0.000 1.049 963 V CA -0.530 61.480 62.300 -0.484 0.000 0.896 963 V CB -0.286 31.403 31.823 -0.222 0.000 1.025 963 V HN 0.719 nan 8.190 nan 0.000 0.475 964 F N 3.949 123.801 119.950 -0.164 0.000 2.607 964 F HA 0.397 4.925 4.527 0.000 0.000 0.374 964 F C 1.327 177.144 175.800 0.029 0.000 1.104 964 F CA 0.611 58.650 58.000 0.065 0.000 1.296 964 F CB 1.010 40.164 39.000 0.256 0.000 1.085 964 F HN 0.507 nan 8.300 nan 0.000 0.584 965 G N 3.436 111.938 108.800 -0.497 0.000 3.502 965 G HA2 0.476 4.436 3.960 0.000 0.000 0.267 965 G HA3 0.476 4.436 3.960 0.000 0.000 0.267 965 G C 0.114 174.909 174.900 -0.176 0.000 1.090 965 G CA 0.266 45.203 45.100 -0.271 0.000 0.795 965 G HN 1.073 nan 8.290 nan 0.000 0.535 966 G N -0.257 108.499 108.800 -0.073 0.000 2.687 966 G HA2 0.690 4.650 3.960 0.000 0.000 0.291 966 G HA3 0.690 4.650 3.960 0.000 0.000 0.291 966 G C -3.182 171.956 174.900 0.396 0.000 1.420 966 G CA -1.133 44.042 45.100 0.125 0.000 0.796 966 G HN -0.048 nan 8.290 nan 0.000 0.485 967 P HA 0.394 nan 4.420 nan 0.000 0.272 967 P C -0.989 176.481 177.300 0.284 0.000 1.230 967 P CA -0.159 63.019 63.100 0.131 0.000 0.788 967 P CB 0.761 32.426 31.700 -0.058 0.000 0.949 968 F N -0.405 119.541 119.950 -0.007 0.000 2.611 968 F HA 0.748 5.275 4.527 0.000 0.000 0.324 968 F C -1.152 174.642 175.800 -0.010 0.000 1.061 968 F CA -1.274 56.770 58.000 0.073 0.000 0.954 968 F CB 1.201 40.198 39.000 -0.005 0.000 1.301 968 F HN 0.217 nan 8.300 nan 0.000 0.482 969 Y N 0.185 120.801 120.300 0.527 0.000 2.633 969 Y HA 0.744 5.294 4.550 0.000 0.000 0.339 969 Y C -0.949 175.313 175.900 0.603 0.000 1.045 969 Y CA -1.559 56.818 58.100 0.463 0.000 1.098 969 Y CB 2.417 41.199 38.460 0.535 0.000 1.296 969 Y HN 0.496 nan 8.280 nan 0.000 0.494 970 V N 2.133 122.406 119.914 0.599 0.000 2.488 970 V HA 0.416 4.536 4.120 0.000 0.000 0.293 970 V C -0.612 175.579 176.094 0.161 0.000 1.027 970 V CA -0.960 61.597 62.300 0.429 0.000 0.862 970 V CB 1.444 33.502 31.823 0.391 0.000 1.008 970 V HN 0.673 nan 8.190 nan 0.000 0.428 971 R N 3.124 123.572 120.500 -0.087 0.000 2.312 971 R HA 0.723 5.064 4.340 0.000 0.000 0.311 971 R C -1.482 174.622 176.300 -0.327 0.000 1.004 971 R CA -0.352 55.419 56.100 -0.548 0.000 0.902 971 R CB 1.835 31.523 30.300 -1.019 0.000 1.073 971 R HN 0.520 nan 8.270 nan 0.000 0.457 972 V N 6.375 126.097 119.914 -0.320 0.000 2.325 972 V HA 0.316 4.436 4.120 0.000 0.000 0.280 972 V C 0.020 175.971 176.094 -0.239 0.000 1.016 972 V CA -0.897 61.273 62.300 -0.216 0.000 0.818 972 V CB 1.234 32.977 31.823 -0.133 0.000 1.019 972 V HN 0.672 nan 8.190 nan 0.000 0.434 973 R N 2.926 123.267 120.500 -0.265 0.000 2.489 973 R HA 0.346 4.686 4.340 0.000 0.000 0.287 973 R C 1.401 177.604 176.300 -0.162 0.000 1.053 973 R CA 0.813 56.770 56.100 -0.238 0.000 1.036 973 R CB 0.293 30.403 30.300 -0.316 0.000 0.966 973 R HN 1.128 nan 8.270 nan 0.000 0.432 974 G N 0.403 109.130 108.800 -0.121 0.000 2.176 974 G HA2 -0.271 3.689 3.960 0.000 0.000 0.253 974 G HA3 -0.271 3.689 3.960 0.000 0.000 0.253 974 G C -0.050 174.814 174.900 -0.061 0.000 0.979 974 G CA 0.197 45.251 45.100 -0.077 0.000 0.641 974 G HN 0.888 nan 8.290 nan 0.000 0.530 975 A N -0.573 122.198 122.820 -0.081 0.000 2.374 975 A HA 0.840 5.160 4.320 0.000 0.000 0.305 975 A C 0.284 177.820 177.584 -0.079 0.000 1.053 975 A CA -0.149 51.846 52.037 -0.070 0.000 0.726 975 A CB 1.533 20.489 19.000 -0.072 0.000 1.229 975 A HN 0.106 nan 8.150 nan 0.000 0.431 976 Q N 0.542 120.305 119.800 -0.061 0.000 2.968 976 Q HA 0.351 4.691 4.340 0.000 0.000 0.245 976 Q C 0.333 176.301 176.000 -0.054 0.000 1.136 976 Q CA 0.005 55.775 55.803 -0.054 0.000 0.410 976 Q CB -0.544 28.177 28.738 -0.029 0.000 5.262 976 Q HN 0.632 nan 8.270 nan 0.000 0.356 977 S N 3.196 118.883 115.700 -0.022 0.000 2.422 977 S HA 0.326 4.796 4.470 0.000 0.000 0.283 977 S C -2.034 172.539 174.600 -0.045 0.000 1.163 977 S CA -0.988 57.211 58.200 -0.002 0.000 1.054 977 S CB 0.264 63.494 63.200 0.049 0.000 0.967 977 S HN 0.147 nan 8.310 nan 0.000 0.499 978 P HA 0.432 nan 4.420 nan 0.000 0.279 978 P C 0.022 177.287 177.300 -0.058 0.000 1.276 978 P CA -0.613 62.402 63.100 -0.141 0.000 0.801 978 P CB 1.024 32.543 31.700 -0.302 0.000 1.127 979 S N -1.110 114.568 115.700 -0.037 0.000 2.506 979 S HA 0.083 4.553 4.470 0.000 0.000 0.230 979 S C 0.661 175.277 174.600 0.027 0.000 1.066 979 S CA 0.056 58.263 58.200 0.011 0.000 0.940 979 S CB -0.056 63.149 63.200 0.009 0.000 0.818 979 S HN 0.657 nan 8.310 nan 0.000 0.518 980 N N 0.805 119.507 118.700 0.003 0.000 2.699 980 N HA 0.274 5.014 4.740 0.000 0.000 0.271 980 N C -1.848 173.674 175.510 0.021 0.000 1.216 980 N CA -0.096 52.975 53.050 0.034 0.000 0.844 980 N CB 0.964 39.485 38.487 0.056 0.000 1.462 980 N HN 0.133 nan 8.380 nan 0.000 0.555 981 I N 2.715 123.285 120.570 0.001 0.000 2.416 981 I HA 0.102 4.272 4.170 0.000 0.000 0.288 981 I C 0.117 176.289 176.117 0.092 0.000 1.051 981 I CA -0.344 60.962 61.300 0.010 0.000 1.375 981 I CB 0.515 38.481 38.000 -0.057 0.000 1.407 981 I HN 0.443 nan 8.210 nan 0.000 0.516 982 H N 5.501 124.574 119.070 0.006 0.000 2.481 982 H HA 0.501 5.057 4.556 0.000 0.000 0.333 982 H C -1.215 174.122 175.328 0.016 0.000 1.066 982 H CA -0.482 55.575 56.048 0.015 0.000 1.209 982 H CB 1.481 31.249 29.762 0.010 0.000 1.445 982 H HN 0.299 nan 8.280 nan 0.000 0.488 983 V N 4.845 124.581 119.914 -0.297 0.000 2.370 983 V HA 0.272 4.392 4.120 0.000 0.000 0.279 983 V C 0.044 176.021 176.094 -0.195 0.000 1.029 983 V CA -0.411 61.794 62.300 -0.159 0.000 0.870 983 V CB 1.238 32.984 31.823 -0.129 0.000 0.984 983 V HN 0.859 nan 8.190 nan 0.000 0.451 984 S N 4.211 119.907 115.700 -0.007 0.000 2.549 984 S HA 0.853 5.323 4.470 0.000 0.000 0.297 984 S C -0.526 174.084 174.600 0.016 0.000 1.115 984 S CA -0.174 58.056 58.200 0.050 0.000 1.059 984 S CB 1.577 64.858 63.200 0.136 0.000 1.046 984 S HN 1.023 nan 8.310 nan 0.000 0.506 985 S N 1.771 117.478 115.700 0.012 0.000 2.709 985 S HA 0.382 4.852 4.470 0.000 0.000 0.305 985 S C 0.752 175.348 174.600 -0.006 0.000 0.974 985 S CA -0.107 58.091 58.200 -0.004 0.000 0.837 985 S CB 0.058 63.244 63.200 -0.024 0.000 1.032 985 S HN 1.205 nan 8.310 nan 0.000 0.461 986 G N 2.378 111.173 108.800 -0.008 0.000 2.440 986 G HA2 -0.001 3.959 3.960 0.000 0.000 0.218 986 G HA3 -0.001 3.959 3.960 0.000 0.000 0.218 986 G C 1.498 176.390 174.900 -0.013 0.000 1.154 986 G CA 1.124 46.219 45.100 -0.009 0.000 0.767 986 G HN 1.334 nan 8.290 nan 0.000 0.552 987 A N -0.433 122.374 122.820 -0.021 0.000 2.168 987 A HA 0.491 4.811 4.320 0.000 0.000 0.215 987 A C 1.261 178.831 177.584 -0.023 0.000 1.152 987 A CA 1.342 53.366 52.037 -0.021 0.000 0.716 987 A CB -0.321 18.663 19.000 -0.025 0.000 0.794 987 A HN 1.649 nan 8.150 nan 0.000 0.465 988 G N -1.161 107.624 108.800 -0.025 0.000 2.414 988 G HA2 0.312 4.272 3.960 0.000 0.000 0.213 988 G HA3 0.312 4.272 3.960 0.000 0.000 0.213 988 G C -0.437 174.436 174.900 -0.045 0.000 1.444 988 G CA 0.026 45.109 45.100 -0.029 0.000 1.076 988 G HN 0.615 nan 8.290 nan 0.000 0.638 989 S N 0.751 116.429 115.700 -0.037 0.000 2.614 989 S HA 0.832 5.303 4.470 0.000 0.000 0.265 989 S C 0.039 174.566 174.600 -0.121 0.000 1.303 989 S CA 0.446 58.602 58.200 -0.073 0.000 1.000 989 S CB 1.576 64.778 63.200 0.003 0.000 0.935 989 S HN 1.140 nan 8.310 nan 0.000 0.551 990 Q N 0.974 120.618 119.800 -0.260 0.000 2.848 990 Q HA 0.167 4.507 4.340 0.000 0.000 0.288 990 Q C -2.333 173.477 176.000 -0.318 0.000 0.907 990 Q CA -0.673 55.003 55.803 -0.213 0.000 0.792 990 Q CB 1.004 29.666 28.738 -0.126 0.000 1.534 990 Q HN 0.675 nan 8.270 nan 0.000 0.419 991 D N 1.904 122.223 120.400 -0.134 0.000 2.163 991 D HA 0.472 5.112 4.640 0.000 0.000 0.248 991 D C -0.256 176.050 176.300 0.009 0.000 1.035 991 D CA -0.206 53.765 54.000 -0.049 0.000 0.872 991 D CB 1.224 42.055 40.800 0.052 0.000 1.183 991 D HN 0.421 nan 8.370 nan 0.000 0.445 992 M N 1.452 121.095 119.600 0.073 0.000 2.288 992 M HA 0.274 4.754 4.480 0.000 0.000 0.334 992 M C 0.311 176.771 176.300 0.266 0.000 1.150 992 M CA -0.362 55.042 55.300 0.172 0.000 1.118 992 M CB 1.291 34.044 32.600 0.256 0.000 1.501 992 M HN 0.148 nan 8.290 nan 0.000 0.462 993 K N 0.355 120.862 120.400 0.177 0.000 2.395 993 K HA 0.671 4.991 4.320 0.000 0.000 0.247 993 K C -0.863 175.418 176.600 -0.532 0.000 0.973 993 K CA -1.033 55.265 56.287 0.018 0.000 0.828 993 K CB 1.986 34.465 32.500 -0.035 0.000 1.272 993 K HN 0.450 nan 8.250 nan 0.000 0.439 994 V N 0.943 120.432 119.914 -0.708 0.000 2.999 994 V HA 0.083 4.203 4.120 0.000 0.000 0.307 994 V C -0.414 175.334 176.094 -0.577 0.000 1.084 994 V CA 0.331 61.949 62.300 -1.137 0.000 1.155 994 V CB 1.362 32.926 31.823 -0.431 0.000 0.975 994 V HN 0.900 nan 8.190 nan 0.000 0.490 995 S N 3.098 118.530 115.700 -0.447 0.000 2.437 995 S HA 0.317 4.787 4.470 0.000 0.000 0.305 995 S C 1.015 175.536 174.600 -0.132 0.000 1.109 995 S CA -0.066 58.008 58.200 -0.209 0.000 1.099 995 S CB 1.408 64.535 63.200 -0.121 0.000 1.004 995 S HN 1.301 nan 8.310 nan 0.000 0.475 996 S N 3.698 119.328 115.700 -0.116 0.000 2.595 996 S HA 0.160 4.630 4.470 0.000 0.000 0.235 996 S C 0.773 175.298 174.600 -0.125 0.000 0.974 996 S CA 0.134 58.276 58.200 -0.097 0.000 0.942 996 S CB -0.530 62.621 63.200 -0.081 0.000 0.766 996 S HN 0.989 nan 8.310 nan 0.000 0.536 997 A N 1.723 124.445 122.820 -0.163 0.000 2.366 997 A HA 0.545 4.865 4.320 0.000 0.000 0.272 997 A C 0.919 178.268 177.584 -0.391 0.000 1.135 997 A CA -0.189 51.690 52.037 -0.263 0.000 0.804 997 A CB 0.356 19.189 19.000 -0.279 0.000 1.064 997 A HN 0.493 nan 8.150 nan 0.000 0.499 998 T N -1.100 113.181 114.554 -0.456 0.000 3.288 998 T HA 0.427 4.777 4.350 0.000 0.000 0.293 998 T C 0.085 174.370 174.700 -0.692 0.000 1.008 998 T CA 0.293 62.104 62.100 -0.482 0.000 0.929 998 T CB -0.819 67.951 68.868 -0.163 0.000 1.152 998 T HN 1.002 nan 8.240 nan 0.000 0.517 999 S N -0.148 114.952 115.700 -1.000 0.000 2.579 999 S HA 0.572 5.042 4.470 0.000 0.000 0.272 999 S C 0.577 174.345 174.600 -1.386 0.000 1.141 999 S CA -1.189 56.378 58.200 -1.054 0.000 0.843 999 S CB 2.684 65.562 63.200 -0.537 0.000 1.122 999 S HN 0.096 nan 8.310 nan 0.000 0.468 1000 R N 0.503 120.212 120.500 -1.318 0.000 2.105 1000 R HA -0.106 4.234 4.340 0.000 0.000 0.239 1000 R C 2.077 177.691 176.300 -1.145 0.000 1.135 1000 R CA 1.733 57.071 56.100 -1.270 0.000 0.967 1000 R CB -0.812 28.890 30.300 -0.997 0.000 0.861 1000 R HN 0.840 nan 8.270 nan 0.000 0.442 1001 A N 0.393 122.782 122.820 -0.718 0.000 1.929 1001 A HA 0.013 4.333 4.320 0.000 0.000 0.216 1001 A C 2.236 179.610 177.584 -0.350 0.000 1.176 1001 A CA 1.286 53.054 52.037 -0.448 0.000 0.628 1001 A CB -0.477 18.366 19.000 -0.262 0.000 0.816 1001 A HN 0.474 nan 8.150 nan 0.000 0.444 1002 A N -0.980 121.598 122.820 -0.403 0.000 2.121 1002 A HA 0.088 4.408 4.320 0.000 0.000 0.218 1002 A C 2.010 179.422 177.584 -0.287 0.000 1.154 1002 A CA 1.528 53.381 52.037 -0.308 0.000 0.679 1002 A CB -0.368 18.433 19.000 -0.332 0.000 0.795 1002 A HN 0.526 nan 8.150 nan 0.000 0.458 1003 L N -2.050 118.922 121.223 -0.417 0.000 2.168 1003 L HA 0.179 4.519 4.340 0.000 0.000 0.203 1003 L C 1.970 178.885 176.870 0.074 0.000 1.078 1003 L CA 1.399 56.090 54.840 -0.248 0.000 0.780 1003 L CB -0.501 41.316 42.059 -0.403 0.000 0.939 1003 L HN 0.299 nan 8.230 nan 0.000 0.451 1004 F N 0.283 120.171 119.950 -0.104 0.000 2.084 1004 F HA -0.130 4.397 4.527 0.000 0.000 0.296 1004 F C 2.495 178.316 175.800 0.035 0.000 1.111 1004 F CA 1.092 59.097 58.000 0.009 0.000 1.224 1004 F CB -1.352 37.584 39.000 -0.106 0.000 0.991 1004 F HN 0.219 nan 8.300 nan 0.000 0.471 1005 N N -0.087 118.705 118.700 0.153 0.000 2.173 1005 N HA -0.118 4.622 4.740 0.000 0.000 0.184 1005 N C 1.065 176.595 175.510 0.032 0.000 1.025 1005 N CA 1.545 54.637 53.050 0.070 0.000 0.852 1005 N CB -0.177 38.318 38.487 0.013 0.000 0.998 1005 N HN 0.283 nan 8.380 nan 0.000 0.427 1006 D N -0.142 120.254 120.400 -0.007 0.000 2.423 1006 D HA 0.094 4.735 4.640 0.000 0.000 0.212 1006 D C 1.107 177.394 176.300 -0.022 0.000 1.060 1006 D CA 0.071 54.054 54.000 -0.028 0.000 0.872 1006 D CB 0.187 40.947 40.800 -0.066 0.000 1.012 1006 D HN 0.054 nan 8.370 nan 0.000 0.503 1007 G N 0.701 109.498 108.800 -0.005 0.000 2.636 1007 G HA2 0.197 4.157 3.960 0.000 0.000 0.246 1007 G HA3 0.197 4.157 3.960 0.000 0.000 0.246 1007 G C 0.000 174.905 174.900 0.008 0.000 1.216 1007 G CA -0.212 44.888 45.100 -0.000 0.000 0.854 1007 G HN -0.058 nan 8.290 nan 0.000 0.572 1008 E N -0.635 119.557 120.200 -0.013 0.000 2.232 1008 E HA 0.168 4.518 4.350 0.000 0.000 0.264 1008 E C -0.516 176.060 176.600 -0.041 0.000 0.973 1008 E CA -0.830 55.554 56.400 -0.026 0.000 0.849 1008 E CB 0.892 30.572 29.700 -0.034 0.000 1.198 1008 E HN 0.339 nan 8.360 nan 0.000 0.407 1009 N N 0.831 119.495 118.700 -0.060 0.000 2.434 1009 N HA 0.209 4.949 4.740 0.000 0.000 0.273 1009 N C 0.107 175.568 175.510 -0.082 0.000 1.210 1009 N CA 0.417 53.408 53.050 -0.097 0.000 0.992 1009 N CB 0.708 39.134 38.487 -0.101 0.000 1.355 1009 N HN 0.735 nan 8.380 nan 0.000 0.495 1010 G N 0.944 109.704 108.800 -0.068 0.000 2.321 1010 G HA2 -0.184 3.776 3.960 0.000 0.000 0.174 1010 G HA3 -0.184 3.776 3.960 0.000 0.000 0.174 1010 G C -0.262 174.655 174.900 0.028 0.000 1.008 1010 G CA -0.635 44.449 45.100 -0.026 0.000 0.739 1010 G HN 0.437 nan 8.290 nan 0.000 0.502 1011 D N 0.036 120.446 120.400 0.017 0.000 2.377 1011 D HA 0.710 5.350 4.640 0.000 0.000 0.245 1011 D C 0.166 176.572 176.300 0.176 0.000 1.196 1011 D CA 0.469 54.480 54.000 0.019 0.000 0.962 1011 D CB 0.633 41.440 40.800 0.012 0.000 1.127 1011 D HN 0.515 nan 8.370 nan 0.000 0.471 1012 F N -1.244 118.792 119.950 0.143 0.000 2.650 1012 F HA 0.514 5.041 4.527 0.000 0.000 0.310 1012 F C -1.968 174.011 175.800 0.298 0.000 1.112 1012 F CA -1.422 56.708 58.000 0.217 0.000 0.986 1012 F CB 0.978 40.070 39.000 0.154 0.000 1.285 1012 F HN 0.284 nan 8.300 nan 0.000 0.440 1013 W N 5.747 127.296 121.300 0.416 0.000 2.471 1013 W HA 0.679 5.339 4.660 0.000 0.000 0.318 1013 W C -1.786 174.958 176.519 0.376 0.000 1.034 1013 W CA -1.973 55.526 57.345 0.257 0.000 1.224 1013 W CB 1.755 31.260 29.460 0.075 0.000 1.335 1013 W HN 0.530 nan 8.180 nan 0.000 0.452 1014 V N 7.073 127.099 119.914 0.187 0.000 2.359 1014 V HA -0.053 4.067 4.120 0.000 0.000 0.248 1014 V C 0.240 175.940 176.094 -0.657 0.000 1.091 1014 V CA 0.223 62.467 62.300 -0.094 0.000 1.103 1014 V CB -0.258 31.640 31.823 0.125 0.000 1.176 1014 V HN 0.453 nan 8.190 nan 0.000 0.488 1015 D N 4.281 124.016 120.400 -1.108 0.000 2.402 1015 D HA 0.135 4.775 4.640 0.000 0.000 0.235 1015 D C 1.052 177.119 176.300 -0.388 0.000 1.226 1015 D CA 0.092 53.321 54.000 -1.285 0.000 0.918 1015 D CB 1.132 41.152 40.800 -1.301 0.000 1.043 1015 D HN 0.586 nan 8.370 nan 0.000 0.506 1016 Q N 2.350 122.061 119.800 -0.148 0.000 2.163 1016 Q HA -0.081 4.259 4.340 0.000 0.000 0.198 1016 Q C 1.631 177.632 176.000 0.003 0.000 0.954 1016 Q CA 0.418 56.199 55.803 -0.037 0.000 0.851 1016 Q CB 0.185 28.936 28.738 0.021 0.000 0.928 1016 Q HN 0.628 nan 8.270 nan 0.000 0.459 1017 E N 0.853 121.083 120.200 0.050 0.000 2.164 1017 E HA -0.260 4.090 4.350 0.000 0.000 0.206 1017 E C 1.118 177.750 176.600 0.053 0.000 1.032 1017 E CA 1.842 58.285 56.400 0.071 0.000 0.832 1017 E CB 0.048 29.827 29.700 0.132 0.000 0.742 1017 E HN 0.384 nan 8.360 nan 0.000 0.460 1018 T N -2.456 112.124 114.554 0.043 0.000 3.228 1018 T HA 0.142 4.492 4.350 0.000 0.000 0.278 1018 T C -0.032 174.675 174.700 0.012 0.000 1.014 1018 T CA 0.354 62.489 62.100 0.058 0.000 0.904 1018 T CB 0.155 69.099 68.868 0.127 0.000 1.110 1018 T HN 0.186 nan 8.240 nan 0.000 0.541 1019 D N 0.880 121.268 120.400 -0.019 0.000 2.686 1019 D HA -0.158 4.482 4.640 0.000 0.000 0.235 1019 D C -0.337 175.911 176.300 -0.086 0.000 1.160 1019 D CA 0.859 54.834 54.000 -0.041 0.000 0.645 1019 D CB -1.264 39.531 40.800 -0.008 0.000 1.039 1019 D HN 0.611 nan 8.370 nan 0.000 0.423 1020 S N -0.922 114.701 115.700 -0.129 0.000 2.740 1020 S HA 0.833 5.303 4.470 0.000 0.000 0.300 1020 S C -0.824 173.647 174.600 -0.215 0.000 1.147 1020 S CA -0.965 57.107 58.200 -0.213 0.000 0.871 1020 S CB 2.117 65.116 63.200 -0.335 0.000 1.173 1020 S HN 0.369 nan 8.310 nan 0.000 0.510 1021 L N 1.072 122.148 121.223 -0.245 0.000 2.491 1021 L HA 0.629 4.969 4.340 0.000 0.000 0.267 1021 L C -2.347 174.514 176.870 -0.015 0.000 0.971 1021 L CA -0.069 54.720 54.840 -0.086 0.000 0.857 1021 L CB 0.668 42.676 42.059 -0.085 0.000 1.226 1021 L HN 0.719 nan 8.230 nan 0.000 0.408 1022 W N 5.566 126.901 121.300 0.058 0.000 2.376 1022 W HA 0.663 5.323 4.660 0.000 0.000 0.322 1022 W C -0.997 175.716 176.519 0.324 0.000 1.160 1022 W CA -0.535 56.955 57.345 0.241 0.000 1.218 1022 W CB 1.148 30.824 29.460 0.360 0.000 1.205 1022 W HN 0.228 nan 8.180 nan 0.000 0.559 1023 L N 2.973 124.509 121.223 0.522 0.000 2.349 1023 L HA 0.355 4.695 4.340 0.000 0.000 0.278 1023 L C -0.103 176.907 176.870 0.232 0.000 0.996 1023 L CA -1.270 53.781 54.840 0.352 0.000 0.825 1023 L CB 1.496 43.678 42.059 0.206 0.000 1.243 1023 L HN 0.317 nan 8.230 nan 0.000 0.412 1024 K N 4.246 124.701 120.400 0.091 0.000 2.211 1024 K HA 0.822 5.142 4.320 0.000 0.000 0.275 1024 K C -1.462 174.925 176.600 -0.354 0.000 1.024 1024 K CA -0.358 55.741 56.287 -0.313 0.000 0.887 1024 K CB 0.712 33.103 32.500 -0.181 0.000 1.084 1024 K HN 0.562 nan 8.250 nan 0.000 0.463 1025 L N 5.552 126.410 121.223 -0.607 0.000 2.434 1025 L HA 0.509 4.849 4.340 0.000 0.000 0.260 1025 L C -2.355 174.139 176.870 -0.627 0.000 0.983 1025 L CA -2.507 51.961 54.840 -0.621 0.000 0.820 1025 L CB 2.282 43.826 42.059 -0.858 0.000 1.361 1025 L HN 0.629 nan 8.230 nan 0.000 0.410 1026 P HA 0.022 nan 4.420 nan 0.000 0.268 1026 P C 0.161 177.413 177.300 -0.081 0.000 1.204 1026 P CA -0.135 62.855 63.100 -0.183 0.000 0.768 1026 P CB 0.508 32.140 31.700 -0.114 0.000 0.842 1027 N N 3.175 121.922 118.700 0.079 0.000 2.184 1027 N HA -0.170 4.570 4.740 0.000 0.000 0.190 1027 N C 1.064 176.695 175.510 0.201 0.000 1.011 1027 N CA 2.198 55.405 53.050 0.262 0.000 0.867 1027 N CB -1.546 37.108 38.487 0.278 0.000 0.993 1027 N HN 0.275 nan 8.380 nan 0.000 0.433 1028 V N 0.082 120.050 119.914 0.089 0.000 2.913 1028 V HA -0.081 4.039 4.120 0.000 0.000 0.260 1028 V C 2.588 178.689 176.094 0.013 0.000 1.098 1028 V CA 1.340 63.669 62.300 0.047 0.000 1.121 1028 V CB -1.183 30.647 31.823 0.012 0.000 0.714 1028 V HN 0.368 nan 8.190 nan 0.000 0.487 1029 V N -3.130 116.798 119.914 0.022 0.000 3.506 1029 V HA 0.109 4.230 4.120 0.000 0.000 0.263 1029 V C 2.200 178.310 176.094 0.026 0.000 1.203 1029 V CA 0.701 62.999 62.300 -0.003 0.000 1.133 1029 V CB -0.014 31.773 31.823 -0.059 0.000 0.802 1029 V HN 0.360 nan 8.190 nan 0.000 0.459 1030 L N 1.986 123.302 121.223 0.155 0.000 2.010 1030 L HA -0.067 4.273 4.340 0.000 0.000 0.219 1030 L C 0.022 176.738 176.870 -0.256 0.000 1.077 1030 L CA 2.868 57.645 54.840 -0.105 0.000 0.773 1030 L CB -1.960 40.082 42.059 -0.028 0.000 0.892 1030 L HN 0.320 nan 8.230 nan 0.000 0.436 1031 P HA -0.076 nan 4.420 nan 0.000 0.221 1031 P C 0.518 177.731 177.300 -0.144 0.000 1.150 1031 P CA 1.693 64.555 63.100 -0.396 0.000 0.800 1031 P CB -0.039 31.264 31.700 -0.661 0.000 0.787 1032 D N -2.395 117.952 120.400 -0.088 0.000 2.399 1032 D HA 0.095 4.735 4.640 0.000 0.000 0.269 1032 D C 0.550 176.876 176.300 0.044 0.000 1.105 1032 D CA -0.092 53.899 54.000 -0.016 0.000 0.844 1032 D CB -1.029 39.748 40.800 -0.038 0.000 1.372 1032 D HN -0.062 nan 8.370 nan 0.000 0.517 1033 A N 1.243 124.081 122.820 0.029 0.000 2.538 1033 A HA 0.173 4.493 4.320 0.000 0.000 0.282 1033 A C 0.229 177.910 177.584 0.163 0.000 0.945 1033 A CA 0.321 52.393 52.037 0.059 0.000 1.041 1033 A CB -0.457 18.532 19.000 -0.018 0.000 0.791 1033 A HN 0.187 nan 8.150 nan 0.000 0.445 1034 V N 5.849 125.829 119.914 0.110 0.000 2.328 1034 V HA 0.284 4.404 4.120 0.000 0.000 0.278 1034 V C 0.253 176.416 176.094 0.116 0.000 1.021 1034 V CA -0.115 62.255 62.300 0.116 0.000 0.838 1034 V CB 0.863 32.733 31.823 0.077 0.000 0.999 1034 V HN 0.656 nan 8.190 nan 0.000 0.447 1035 I N 4.866 125.516 120.570 0.133 0.000 2.315 1035 I HA 0.331 4.501 4.170 0.000 0.000 0.291 1035 I C 0.477 176.643 176.117 0.082 0.000 1.006 1035 I CA -0.072 61.294 61.300 0.110 0.000 1.265 1035 I CB 1.664 39.748 38.000 0.139 0.000 1.387 1035 I HN 0.629 nan 8.210 nan 0.000 0.475 1036 T N 4.718 119.325 114.554 0.088 0.000 3.336 1036 T HA 0.535 4.885 4.350 0.000 0.000 0.384 1036 T C 0.085 174.808 174.700 0.040 0.000 1.704 1036 T CA -0.589 61.546 62.100 0.059 0.000 1.334 1036 T CB -0.460 68.442 68.868 0.058 0.000 1.131 1036 T HN 0.235 nan 8.240 nan 0.000 0.684 1037 I N 2.151 122.726 120.570 0.009 0.000 2.993 1037 I HA 0.424 4.594 4.170 0.000 0.000 0.286 1037 I C 1.055 177.154 176.117 -0.029 0.000 1.215 1037 I CA 0.307 61.590 61.300 -0.029 0.000 1.393 1037 I CB 0.642 38.610 38.000 -0.055 0.000 1.371 1037 I HN 0.664 nan 8.210 nan 0.000 0.602 1038 T N 0.000 114.528 114.554 -0.044 0.000 3.816 1038 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1038 T CA 0.000 62.079 62.100 -0.034 0.000 1.349 1038 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658