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 2x2j_1_B DATA FIRST_RESID 14 DATA SEQUENCE TDNPDGIDYK TYDYVGVWGF SPLSNTNWFA AGSSTPGGIT DWTATMNVNF DATA SEQUENCE DRIDNPSITV QHPVQVQVTS YNNNSYRVRF NPDGPIRDVT RGPILKQQLD DATA SEQUENCE WIRTQELSEG CDPGMTFTSE GFLTFETKDL SVIIYGNFKT RVTRKSDGKV DATA SEQUENCE IMENDEVGTA SSGNKCRGLM FVDRLYGNAI ASVNKNFRND AVKQEGFYGA DATA SEQUENCE GEVNCKYQDT YILERTGIAM TNYNYDNLNY NQWDLRPPHH DGALNPDYYI DATA SEQUENCE PMYYAAPWLI VNGCAGTSEQ YSYGWFMDNV SQSYMNTGDT TWNSGQEDLA DATA SEQUENCE YMGAQYGPFD QHFVYGAGGG MEXVVTAFSL LQGKEFENQV LNKRSVMPPK DATA SEQUENCE YVFGFFQGVF GTSSLLRAHM PAGENNISVE EIVEGYQNNN FPFEGLAVDV DATA SEQUENCE DMQDNLRVFT TKGEFWTANR VGTGGDPNNR SVFEWAHDKG LVCQTNITCF DATA SEQUENCE LRNDNEGQDY EVNQTLRERQ LYTKNDSLTG TDFGMTDDGP SDAYIGHLDY DATA SEQUENCE GGGVECDALF PDWGRPDVAE WWGNNYKKLF SIGLDFVWQD MTVPAMMPHK DATA SEQUENCE IGDDINVKPD GNWPNADDPS NGQYNWKTYH PQVLVTDMRY ENHGREPMVT DATA SEQUENCE QRNIHAYTLC ESTRKEGIVE NADTLTKFRR SYIISRGGYI GNQHFGGMWV DATA SEQUENCE GDNSTTSNYI QMMIANNINM NMSCLPLVGS DIGGFTSYDN ENQRTPCTGD DATA SEQUENCE LMVRYVQAGC LLPWFRNHYD RWIESKDHGK DYQELYMYPN EMDTLRKFVE DATA SEQUENCE FRYRWQEVLY TAMYQNAAFG KPIIKAASMY NNDSNVRRAQ NDHFLLGGHD DATA SEQUENCE GYRILCAPVV WENSTERELY LPVLTQWYKF GPDFDTKPLE GAMNGGDRIY DATA SEQUENCE NYPVPQSESP IFVREGAILP TRYTLNGENK SLNTYTDEDP LVFEVFPLGN DATA SEQUENCE NRADGMCYLD DGGVTTNAED NGKFSVVKVA AEQDGGTETI TFTNDCYEYV DATA SEQUENCE FGGPFYVRVR GAQSPSNIHV SSGAGSQDMK VSSATSRAAL FNDGENGDFW DATA SEQUENCE VDQETDSLWL KLPNVVLPDA VITIT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.669 174.700 -0.052 0.000 1.109 14 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 14 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 15 D N 2.225 122.605 120.400 -0.034 0.000 2.361 15 D HA 0.240 4.882 4.640 0.004 0.000 0.239 15 D C 0.807 177.098 176.300 -0.015 0.000 1.200 15 D CA 0.265 54.247 54.000 -0.030 0.000 0.915 15 D CB 0.177 40.972 40.800 -0.008 0.000 1.170 15 D HN 0.393 nan 8.370 nan 0.000 0.444 16 N N 0.435 119.139 118.700 0.007 0.000 2.669 16 N HA -0.143 4.599 4.740 0.004 0.000 0.266 16 N C -1.740 173.761 175.510 -0.015 0.000 1.024 16 N CA 0.014 53.099 53.050 0.057 0.000 0.766 16 N CB -0.185 38.394 38.487 0.152 0.000 0.898 16 N HN 0.254 nan 8.380 nan 0.000 0.548 17 P HA -0.076 nan 4.420 nan 0.000 0.219 17 P C 0.779 178.034 177.300 -0.075 0.000 1.150 17 P CA 0.888 63.902 63.100 -0.143 0.000 0.814 17 P CB 0.254 31.750 31.700 -0.341 0.000 0.787 18 D N -0.254 120.122 120.400 -0.039 0.000 2.219 18 D HA -0.029 4.613 4.640 0.004 0.000 0.205 18 D C 1.519 177.807 176.300 -0.021 0.000 0.970 18 D CA 1.757 55.758 54.000 0.001 0.000 0.851 18 D CB -0.431 40.396 40.800 0.045 0.000 0.943 18 D HN 0.279 nan 8.370 nan 0.000 0.488 19 G N 0.326 109.114 108.800 -0.020 0.000 2.130 19 G HA2 -0.217 3.745 3.960 0.004 0.000 0.216 19 G HA3 -0.217 3.745 3.960 0.004 0.000 0.216 19 G C 0.131 174.984 174.900 -0.079 0.000 0.999 19 G CA -0.312 44.769 45.100 -0.032 0.000 0.686 19 G HN 0.143 nan 8.290 nan 0.000 0.515 20 I N 1.152 121.635 120.570 -0.144 0.000 2.634 20 I HA 0.305 4.477 4.170 0.004 0.000 0.284 20 I C 0.417 176.283 176.117 -0.417 0.000 1.124 20 I CA -1.383 59.710 61.300 -0.345 0.000 1.417 20 I CB 1.061 38.697 38.000 -0.607 0.000 1.396 20 I HN 0.192 nan 8.210 nan 0.000 0.571 21 D N 5.857 126.061 120.400 -0.328 0.000 2.359 21 D HA 0.140 4.782 4.640 0.004 0.000 0.230 21 D C -0.922 175.217 176.300 -0.268 0.000 1.118 21 D CA -0.335 53.538 54.000 -0.212 0.000 0.844 21 D CB 0.081 40.818 40.800 -0.105 0.000 1.059 21 D HN 0.174 nan 8.370 nan 0.000 0.493 22 Y N 3.677 124.012 120.300 0.058 0.000 2.584 22 Y HA 0.153 4.705 4.550 0.004 0.000 0.351 22 Y C 1.480 177.325 175.900 -0.093 0.000 1.030 22 Y CA -0.250 57.855 58.100 0.009 0.000 1.332 22 Y CB 0.881 39.297 38.460 -0.074 0.000 1.148 22 Y HN 0.209 nan 8.280 nan 0.000 0.528 23 K N 1.356 121.764 120.400 0.014 0.000 2.358 23 K HA 0.212 4.535 4.320 0.004 0.000 0.197 23 K C -0.231 176.347 176.600 -0.037 0.000 1.025 23 K CA 0.232 56.503 56.287 -0.026 0.000 1.104 23 K CB 0.553 33.013 32.500 -0.066 0.000 0.855 23 K HN 0.486 nan 8.250 nan 0.000 0.531 24 T N -0.057 114.454 114.554 -0.071 0.000 3.032 24 T HA 0.378 4.730 4.350 0.004 0.000 0.312 24 T C -0.474 174.173 174.700 -0.087 0.000 1.078 24 T CA -0.513 61.577 62.100 -0.017 0.000 1.028 24 T CB 1.057 69.939 68.868 0.023 0.000 1.091 24 T HN -0.076 nan 8.240 nan 0.000 0.457 25 Y N -0.184 120.277 120.300 0.269 0.000 2.589 25 Y HA 0.274 4.827 4.550 0.004 0.000 0.271 25 Y C 0.989 177.050 175.900 0.268 0.000 1.107 25 Y CA -0.431 57.828 58.100 0.264 0.000 1.273 25 Y CB 0.458 39.076 38.460 0.263 0.000 1.266 25 Y HN 0.490 nan 8.280 nan 0.000 0.504 26 D N 0.043 120.685 120.400 0.402 0.000 2.344 26 D HA -0.034 4.608 4.640 0.004 0.000 0.244 26 D C -0.471 175.764 176.300 -0.108 0.000 1.134 26 D CA -0.244 53.960 54.000 0.341 0.000 0.930 26 D CB 0.466 41.552 40.800 0.477 0.000 1.175 26 D HN 0.012 nan 8.370 nan 0.000 0.437 27 Y N 1.194 120.925 120.300 -0.950 0.000 2.805 27 Y HA 0.063 4.615 4.550 0.003 0.000 0.331 27 Y C -0.526 174.940 175.900 -0.723 0.000 1.241 27 Y CA 0.206 57.517 58.100 -1.316 0.000 1.546 27 Y CB 0.189 37.303 38.460 -2.243 0.000 1.248 27 Y HN -0.041 nan 8.280 nan 0.000 0.559 28 V N 8.324 127.649 119.914 -0.981 0.000 2.304 28 V HA 0.391 4.513 4.120 0.004 0.000 0.278 28 V C 0.815 176.191 176.094 -1.195 0.000 1.018 28 V CA -0.393 61.454 62.300 -0.755 0.000 0.814 28 V CB 0.638 32.292 31.823 -0.281 0.000 1.021 28 V HN 1.082 nan 8.190 nan 0.000 0.440 29 G N 2.517 110.308 108.800 -1.682 0.000 2.684 29 G HA2 0.298 4.261 3.960 0.004 0.000 0.255 29 G HA3 0.298 4.261 3.960 0.004 0.000 0.255 29 G C 1.400 175.314 174.900 -1.644 0.000 1.219 29 G CA 0.187 43.981 45.100 -2.176 0.000 0.901 29 G HN 0.948 nan 8.290 nan 0.000 0.548 30 V N -2.323 116.829 119.914 -1.270 0.000 2.453 30 V HA -0.218 3.904 4.120 0.004 0.000 0.252 30 V C 2.186 178.047 176.094 -0.388 0.000 1.068 30 V CA 2.301 64.307 62.300 -0.490 0.000 1.070 30 V CB -1.398 30.386 31.823 -0.065 0.000 0.664 30 V HN 0.916 nan 8.190 nan 0.000 0.461 31 W N 1.830 122.896 121.300 -0.390 0.000 2.525 31 W HA 0.401 5.064 4.660 0.004 0.000 0.259 31 W C 1.974 178.386 176.519 -0.180 0.000 1.253 31 W CA 0.487 57.602 57.345 -0.384 0.000 1.262 31 W CB -1.206 27.681 29.460 -0.955 0.000 1.122 31 W HN 0.250 nan 8.180 nan 0.000 0.607 32 G N -0.870 107.776 108.800 -0.256 0.000 3.393 32 G HA2 0.170 4.133 3.960 0.004 0.000 0.255 32 G HA3 0.170 4.133 3.960 0.004 0.000 0.255 32 G C -0.897 173.931 174.900 -0.119 0.000 1.097 32 G CA -0.441 44.595 45.100 -0.106 0.000 0.780 32 G HN 0.149 nan 8.290 nan 0.000 0.540 33 F N 3.137 122.883 119.950 -0.340 0.000 2.382 33 F HA 0.522 5.051 4.527 0.003 0.000 0.361 33 F C -0.133 175.518 175.800 -0.249 0.000 1.109 33 F CA -1.243 56.512 58.000 -0.407 0.000 1.031 33 F CB 1.705 40.143 39.000 -0.937 0.000 1.234 33 F HN -0.022 nan 8.300 nan 0.000 0.445 34 S N 6.575 121.913 115.700 -0.605 0.000 2.383 34 S HA 0.287 4.759 4.470 0.004 0.000 0.196 34 S C -2.343 171.804 174.600 -0.755 0.000 1.364 34 S CA -0.998 56.902 58.200 -0.500 0.000 1.212 34 S CB 1.094 64.166 63.200 -0.213 0.000 1.171 34 S HN 0.469 nan 8.310 nan 0.000 0.456 35 P HA 0.040 nan 4.420 nan 0.000 0.222 35 P C 1.156 177.810 177.300 -1.076 0.000 1.153 35 P CA 0.398 62.499 63.100 -1.665 0.000 0.798 35 P CB 0.062 30.755 31.700 -1.678 0.000 0.796 36 L N -0.730 120.080 121.223 -0.688 0.000 2.465 36 L HA -0.011 4.331 4.340 0.004 0.000 0.224 36 L C 2.283 178.975 176.870 -0.296 0.000 1.145 36 L CA 0.702 55.304 54.840 -0.395 0.000 0.834 36 L CB -0.870 41.056 42.059 -0.221 0.000 0.944 36 L HN -0.035 nan 8.230 nan 0.000 0.451 37 S N 0.010 115.521 115.700 -0.316 0.000 2.423 37 S HA -0.116 4.357 4.470 0.004 0.000 0.231 37 S C 1.093 175.593 174.600 -0.167 0.000 1.014 37 S CA 0.872 58.956 58.200 -0.192 0.000 0.965 37 S CB -0.042 63.071 63.200 -0.145 0.000 0.785 37 S HN 0.533 nan 8.310 nan 0.000 0.495 38 N N -0.764 117.783 118.700 -0.254 0.000 2.430 38 N HA -0.146 4.596 4.740 0.004 0.000 0.206 38 N C 0.348 175.877 175.510 0.031 0.000 1.257 38 N CA 1.936 54.890 53.050 -0.160 0.000 2.683 38 N CB -1.853 36.560 38.487 -0.124 0.000 0.842 38 N HN 0.626 nan 8.380 nan 0.000 0.455 39 T N 0.413 114.975 114.554 0.012 0.000 2.888 39 T HA 0.394 4.746 4.350 0.004 0.000 0.301 39 T C 0.847 175.521 174.700 -0.044 0.000 1.001 39 T CA 0.812 62.886 62.100 -0.042 0.000 1.147 39 T CB 1.282 70.092 68.868 -0.097 0.000 0.931 39 T HN 0.369 nan 8.240 nan 0.000 0.541 40 N N -0.215 118.361 118.700 -0.208 0.000 2.965 40 N HA -0.134 4.608 4.740 0.004 0.000 0.232 40 N C -1.082 174.192 175.510 -0.393 0.000 0.913 40 N CA 1.184 54.007 53.050 -0.378 0.000 0.981 40 N CB -1.768 36.391 38.487 -0.547 0.000 1.077 40 N HN 0.842 nan 8.380 nan 0.000 0.589 41 W N 0.803 121.915 121.300 -0.314 0.000 2.390 41 W HA 0.579 5.241 4.660 0.003 0.000 0.312 41 W C 0.529 176.824 176.519 -0.372 0.000 1.123 41 W CA -0.429 56.749 57.345 -0.278 0.000 1.202 41 W CB 0.270 29.608 29.460 -0.203 0.000 1.251 41 W HN -0.135 nan 8.180 nan 0.000 0.511 42 F N 2.313 122.144 119.950 -0.200 0.000 2.389 42 F HA 0.569 5.099 4.527 0.004 0.000 0.337 42 F C 0.753 176.506 175.800 -0.077 0.000 1.112 42 F CA -0.300 57.523 58.000 -0.295 0.000 1.192 42 F CB 0.774 39.222 39.000 -0.920 0.000 1.185 42 F HN 0.354 nan 8.300 nan 0.000 0.552 43 A N 1.442 124.438 122.820 0.294 0.000 2.572 43 A HA 0.809 5.131 4.320 0.004 0.000 0.295 43 A C -1.169 176.589 177.584 0.289 0.000 1.072 43 A CA -0.658 51.562 52.037 0.305 0.000 0.691 43 A CB 0.761 19.856 19.000 0.158 0.000 1.291 43 A HN 0.976 nan 8.150 nan 0.000 0.404 44 A N -0.336 122.574 122.820 0.150 0.000 2.462 44 A HA 0.550 4.872 4.320 0.004 0.000 0.243 44 A C 1.060 178.614 177.584 -0.049 0.000 1.076 44 A CA 0.503 52.434 52.037 -0.177 0.000 0.773 44 A CB 0.057 18.874 19.000 -0.305 0.000 1.010 44 A HN 2.122 nan 8.150 nan 0.000 0.493 45 G N -0.293 108.458 108.800 -0.082 0.000 2.799 45 G HA2 0.447 4.409 3.960 0.004 0.000 0.201 45 G HA3 0.447 4.409 3.960 0.004 0.000 0.201 45 G C 0.088 174.978 174.900 -0.015 0.000 1.142 45 G CA 0.922 46.011 45.100 -0.018 0.000 0.910 45 G HN 1.787 nan 8.290 nan 0.000 0.710 46 S N -0.615 115.057 115.700 -0.048 0.000 2.611 46 S HA 0.717 5.189 4.470 0.004 0.000 0.270 46 S C -0.895 173.673 174.600 -0.054 0.000 1.131 46 S CA 0.205 58.392 58.200 -0.022 0.000 0.826 46 S CB 1.586 64.776 63.200 -0.017 0.000 1.095 46 S HN 1.323 nan 8.310 nan 0.000 0.461 47 S N -0.236 115.450 115.700 -0.022 0.000 2.615 47 S HA 0.912 5.385 4.470 0.004 0.000 0.269 47 S C -0.886 173.683 174.600 -0.051 0.000 1.161 47 S CA -0.292 57.884 58.200 -0.040 0.000 0.817 47 S CB 1.241 64.442 63.200 0.001 0.000 1.131 47 S HN 2.023 nan 8.310 nan 0.000 0.467 48 T N -1.421 113.082 114.554 -0.084 0.000 2.900 48 T HA 0.770 5.123 4.350 0.004 0.000 0.295 48 T C -3.375 171.189 174.700 -0.225 0.000 1.044 48 T CA -2.065 59.953 62.100 -0.137 0.000 0.995 48 T CB 1.189 69.989 68.868 -0.114 0.000 1.072 48 T HN 0.410 nan 8.240 nan 0.000 0.473 49 P HA 0.360 nan 4.420 nan 0.000 0.269 49 P C 0.644 177.693 177.300 -0.419 0.000 1.209 49 P CA -0.021 62.602 63.100 -0.796 0.000 0.776 49 P CB 0.403 31.342 31.700 -1.268 0.000 0.876 50 G N 1.066 109.691 108.800 -0.292 0.000 3.979 50 G HA2 0.501 4.463 3.960 0.004 0.000 0.287 50 G HA3 0.501 4.463 3.960 0.004 0.000 0.287 50 G C 0.176 175.105 174.900 0.049 0.000 1.011 50 G CA 0.128 45.189 45.100 -0.065 0.000 0.818 50 G HN 0.886 nan 8.290 nan 0.000 0.470 51 G N 0.205 109.075 108.800 0.117 0.000 2.785 51 G HA2 -0.094 3.868 3.960 0.004 0.000 0.686 51 G HA3 -0.094 3.868 3.960 0.004 0.000 0.686 51 G C -0.578 174.489 174.900 0.278 0.000 1.155 51 G CA -0.650 44.576 45.100 0.210 0.000 0.760 51 G HN 0.644 nan 8.290 nan 0.000 0.624 52 I N 2.191 122.909 120.570 0.248 0.000 2.354 52 I HA 0.504 4.677 4.170 0.004 0.000 0.286 52 I C 0.712 176.905 176.117 0.127 0.000 1.007 52 I CA -0.371 61.030 61.300 0.168 0.000 1.167 52 I CB 1.836 39.889 38.000 0.088 0.000 1.320 52 I HN 0.787 nan 8.210 nan 0.000 0.458 53 T N 0.981 115.607 114.554 0.119 0.000 2.829 53 T HA 0.470 4.822 4.350 0.004 0.000 0.280 53 T C 0.026 174.786 174.700 0.100 0.000 0.999 53 T CA -0.368 61.789 62.100 0.095 0.000 0.983 53 T CB 2.111 71.025 68.868 0.075 0.000 0.968 53 T HN 0.659 nan 8.240 nan 0.000 0.446 54 D N 1.472 121.919 120.400 0.078 0.000 4.100 54 D HA -0.192 4.450 4.640 0.004 0.000 0.138 54 D C -0.222 176.217 176.300 0.232 0.000 0.819 54 D CA 1.835 55.865 54.000 0.049 0.000 1.117 54 D CB -0.929 39.870 40.800 -0.002 0.000 0.537 54 D HN 0.737 nan 8.370 nan 0.000 0.539 55 W N 1.313 122.614 121.300 0.002 0.000 2.693 55 W HA 0.420 5.082 4.660 0.004 0.000 0.415 55 W C -0.152 176.347 176.519 -0.033 0.000 0.932 55 W CA 0.006 57.338 57.345 -0.022 0.000 2.200 55 W CB -0.095 29.359 29.460 -0.010 0.000 1.188 55 W HN -0.061 nan 8.180 nan 0.000 0.665 56 T N 1.161 115.832 114.554 0.196 0.000 2.842 56 T HA 0.656 5.009 4.350 0.004 0.000 0.308 56 T C 0.146 174.921 174.700 0.126 0.000 1.041 56 T CA -0.256 61.927 62.100 0.140 0.000 0.964 56 T CB 1.394 70.349 68.868 0.145 0.000 0.972 56 T HN -0.040 nan 8.240 nan 0.000 0.460 57 A N 3.193 126.072 122.820 0.098 0.000 2.304 57 A HA 0.747 5.069 4.320 0.004 0.000 0.301 57 A C 0.377 178.114 177.584 0.255 0.000 1.132 57 A CA -0.517 51.619 52.037 0.165 0.000 0.819 57 A CB 0.494 19.510 19.000 0.028 0.000 1.094 57 A HN 0.645 nan 8.150 nan 0.000 0.492 58 T N 2.824 117.571 114.554 0.323 0.000 2.829 58 T HA 0.602 4.954 4.350 0.004 0.000 0.280 58 T C -0.345 174.511 174.700 0.260 0.000 0.999 58 T CA -0.148 62.108 62.100 0.260 0.000 0.983 58 T CB 0.901 69.877 68.868 0.180 0.000 0.968 58 T HN 0.592 nan 8.240 nan 0.000 0.446 59 M N 3.010 122.748 119.600 0.230 0.000 2.311 59 M HA 0.417 4.899 4.480 0.004 0.000 0.325 59 M C -0.234 176.109 176.300 0.073 0.000 1.061 59 M CA -0.899 54.489 55.300 0.145 0.000 0.957 59 M CB 1.487 34.234 32.600 0.246 0.000 1.646 59 M HN 0.340 nan 8.290 nan 0.000 0.434 60 N N 2.893 121.594 118.700 0.000 0.000 2.807 60 N HA 0.184 4.926 4.740 0.004 0.000 0.259 60 N C -0.976 174.492 175.510 -0.070 0.000 1.149 60 N CA 0.022 53.060 53.050 -0.019 0.000 1.042 60 N CB 0.561 39.027 38.487 -0.035 0.000 1.367 60 N HN 0.367 nan 8.380 nan 0.000 0.516 61 V N 2.667 122.506 119.914 -0.125 0.000 2.455 61 V HA 0.070 4.192 4.120 0.004 0.000 0.273 61 V C 0.591 176.445 176.094 -0.399 0.000 1.045 61 V CA -0.709 61.388 62.300 -0.340 0.000 0.976 61 V CB 0.472 31.908 31.823 -0.645 0.000 0.993 61 V HN 0.422 nan 8.190 nan 0.000 0.475 62 N N 5.139 123.665 118.700 -0.290 0.000 2.399 62 N HA 0.233 4.976 4.740 0.004 0.000 0.259 62 N C -0.684 174.679 175.510 -0.245 0.000 1.160 62 N CA 0.176 53.118 53.050 -0.180 0.000 0.946 62 N CB 0.506 38.942 38.487 -0.085 0.000 1.156 62 N HN 0.430 nan 8.380 nan 0.000 0.489 63 F N 1.236 121.179 119.950 -0.012 0.000 2.404 63 F HA 0.232 4.762 4.527 0.004 0.000 0.345 63 F C 0.914 176.848 175.800 0.223 0.000 1.110 63 F CA -0.391 57.640 58.000 0.052 0.000 1.130 63 F CB 1.015 40.011 39.000 -0.007 0.000 1.129 63 F HN 0.187 nan 8.300 nan 0.000 0.500 64 D N 2.736 123.388 120.400 0.420 0.000 2.350 64 D HA 0.239 4.881 4.640 0.004 0.000 0.245 64 D C -0.087 176.333 176.300 0.200 0.000 1.036 64 D CA -0.675 53.521 54.000 0.327 0.000 0.848 64 D CB 1.659 42.541 40.800 0.137 0.000 1.307 64 D HN 0.240 nan 8.370 nan 0.000 0.469 65 R N 1.970 122.420 120.500 -0.083 0.000 2.421 65 R HA 0.148 4.490 4.340 0.004 0.000 0.305 65 R C 1.284 177.484 176.300 -0.165 0.000 1.039 65 R CA -0.045 55.810 56.100 -0.409 0.000 1.003 65 R CB 0.503 30.477 30.300 -0.543 0.000 0.959 65 R HN 0.521 nan 8.270 nan 0.000 0.427 66 I N 1.919 122.413 120.570 -0.126 0.000 2.361 66 I HA -0.308 3.865 4.170 0.004 0.000 0.251 66 I C 1.804 177.877 176.117 -0.074 0.000 1.133 66 I CA 1.528 62.789 61.300 -0.064 0.000 1.413 66 I CB -0.203 37.771 38.000 -0.043 0.000 1.073 66 I HN 0.597 nan 8.210 nan 0.000 0.424 67 D N -0.466 119.872 120.400 -0.104 0.000 2.354 67 D HA -0.083 4.560 4.640 0.004 0.000 0.209 67 D C 0.554 176.801 176.300 -0.088 0.000 1.015 67 D CA 0.407 54.350 54.000 -0.095 0.000 0.867 67 D CB -0.047 40.683 40.800 -0.117 0.000 0.933 67 D HN 0.251 nan 8.370 nan 0.000 0.520 68 N N 0.287 118.929 118.700 -0.097 0.000 2.976 68 N HA 0.140 4.882 4.740 0.004 0.000 0.220 68 N C -2.535 172.942 175.510 -0.057 0.000 1.428 68 N CA -1.078 51.929 53.050 -0.071 0.000 0.748 68 N CB 1.667 40.111 38.487 -0.071 0.000 1.484 68 N HN -0.267 nan 8.380 nan 0.000 0.578 69 P HA -0.052 nan 4.420 nan 0.000 0.228 69 P C 1.264 178.580 177.300 0.026 0.000 1.151 69 P CA 0.875 63.974 63.100 -0.000 0.000 0.770 69 P CB 0.263 31.964 31.700 0.002 0.000 0.786 70 S N -0.962 114.748 115.700 0.017 0.000 2.481 70 S HA -0.032 4.440 4.470 0.004 0.000 0.231 70 S C 0.896 175.529 174.600 0.055 0.000 0.996 70 S CA 0.233 58.451 58.200 0.030 0.000 0.942 70 S CB -1.154 62.056 63.200 0.017 0.000 0.768 70 S HN 0.060 nan 8.310 nan 0.000 0.520 71 I N 2.358 122.964 120.570 0.060 0.000 2.421 71 I HA 0.262 4.434 4.170 0.004 0.000 0.291 71 I C 0.227 176.498 176.117 0.257 0.000 1.089 71 I CA 0.084 61.457 61.300 0.122 0.000 1.354 71 I CB 0.801 38.837 38.000 0.060 0.000 1.413 71 I HN 0.098 nan 8.210 nan 0.000 0.513 72 T N 6.595 121.307 114.554 0.263 0.000 2.886 72 T HA 0.667 5.019 4.350 0.004 0.000 0.292 72 T C -0.696 174.091 174.700 0.146 0.000 1.012 72 T CA -0.535 61.724 62.100 0.265 0.000 0.982 72 T CB 1.179 70.127 68.868 0.133 0.000 1.018 72 T HN 0.376 nan 8.240 nan 0.000 0.451 73 V N 2.575 122.501 119.914 0.019 0.000 3.001 73 V HA 0.746 4.869 4.120 0.004 0.000 0.314 73 V C -0.933 175.098 176.094 -0.105 0.000 1.099 73 V CA -0.954 61.260 62.300 -0.145 0.000 0.989 73 V CB 2.029 33.664 31.823 -0.313 0.000 1.040 73 V HN 0.898 nan 8.190 nan 0.000 0.434 74 Q N 1.673 121.333 119.800 -0.233 0.000 2.330 74 Q HA 0.505 4.847 4.340 0.004 0.000 0.269 74 Q C -1.728 174.072 176.000 -0.332 0.000 1.022 74 Q CA -0.625 55.082 55.803 -0.159 0.000 0.796 74 Q CB 1.444 30.117 28.738 -0.108 0.000 1.271 74 Q HN 1.008 nan 8.270 nan 0.000 0.450 75 H N 3.506 122.709 119.070 0.222 0.000 2.679 75 H HA 0.382 4.940 4.556 0.004 0.000 0.360 75 H C -2.464 172.955 175.328 0.152 0.000 1.105 75 H CA -1.816 54.345 56.048 0.189 0.000 1.196 75 H CB 2.033 31.918 29.762 0.204 0.000 1.636 75 H HN 0.483 nan 8.280 nan 0.000 0.531 76 P HA 0.031 nan 4.420 nan 0.000 0.267 76 P C -0.285 177.149 177.300 0.223 0.000 1.205 76 P CA -0.112 63.094 63.100 0.177 0.000 0.765 76 P CB 1.035 32.828 31.700 0.156 0.000 0.828 77 V N 4.729 124.751 119.914 0.180 0.000 2.495 77 V HA 0.272 4.394 4.120 0.004 0.000 0.298 77 V C 0.383 176.644 176.094 0.277 0.000 1.031 77 V CA -0.584 61.849 62.300 0.222 0.000 0.871 77 V CB 1.625 33.466 31.823 0.030 0.000 0.988 77 V HN 0.472 nan 8.190 nan 0.000 0.432 78 Q N 2.641 122.622 119.800 0.301 0.000 2.271 78 Q HA 0.653 4.996 4.340 0.004 0.000 0.258 78 Q C -1.210 174.987 176.000 0.328 0.000 0.936 78 Q CA -0.600 55.370 55.803 0.278 0.000 0.909 78 Q CB 2.533 31.404 28.738 0.223 0.000 1.253 78 Q HN 0.571 nan 8.270 nan 0.000 0.440 79 V N 3.116 123.206 119.914 0.292 0.000 2.357 79 V HA 0.243 4.365 4.120 0.004 0.000 0.281 79 V C -0.600 175.554 176.094 0.099 0.000 1.015 79 V CA -0.591 61.880 62.300 0.284 0.000 0.827 79 V CB 1.304 33.290 31.823 0.271 0.000 1.018 79 V HN 0.700 nan 8.190 nan 0.000 0.432 80 Q N 3.713 123.593 119.800 0.132 0.000 2.333 80 Q HA 0.610 4.952 4.340 0.004 0.000 0.267 80 Q C -1.255 174.784 176.000 0.065 0.000 1.012 80 Q CA -0.595 55.260 55.803 0.087 0.000 0.824 80 Q CB 2.381 31.217 28.738 0.164 0.000 1.290 80 Q HN 0.520 nan 8.270 nan 0.000 0.449 81 V N 4.098 123.982 119.914 -0.050 0.000 2.470 81 V HA 0.047 4.169 4.120 0.004 0.000 0.276 81 V C 1.262 177.535 176.094 0.298 0.000 1.040 81 V CA 0.763 63.062 62.300 -0.000 0.000 1.008 81 V CB 0.818 32.443 31.823 -0.330 0.000 0.990 81 V HN 1.063 nan 8.190 nan 0.000 0.477 82 T N 0.217 114.970 114.554 0.332 0.000 3.039 82 T HA 0.141 4.493 4.350 0.004 0.000 0.250 82 T C 0.729 175.675 174.700 0.410 0.000 1.052 82 T CA 0.483 62.813 62.100 0.383 0.000 1.125 82 T CB 0.406 69.514 68.868 0.399 0.000 0.908 82 T HN 0.604 nan 8.240 nan 0.000 0.473 83 S N -0.487 115.443 115.700 0.383 0.000 2.626 83 S HA 0.411 4.883 4.470 0.004 0.000 0.275 83 S C -0.391 174.398 174.600 0.315 0.000 1.175 83 S CA -0.877 57.555 58.200 0.386 0.000 0.982 83 S CB 1.210 64.606 63.200 0.327 0.000 1.093 83 S HN 0.299 nan 8.310 nan 0.000 0.472 84 Y N 5.427 125.838 120.300 0.185 0.000 2.243 84 Y HA 0.069 4.621 4.550 0.004 0.000 0.293 84 Y C 1.737 177.707 175.900 0.116 0.000 1.124 84 Y CA 1.884 60.019 58.100 0.057 0.000 1.159 84 Y CB -0.066 38.384 38.460 -0.018 0.000 1.008 84 Y HN 0.697 nan 8.280 nan 0.000 0.527 85 N N 0.355 119.250 118.700 0.324 0.000 2.270 85 N HA -0.133 4.609 4.740 0.004 0.000 0.181 85 N C 0.492 176.091 175.510 0.148 0.000 1.016 85 N CA 1.280 54.464 53.050 0.223 0.000 0.870 85 N CB -0.341 38.299 38.487 0.255 0.000 0.979 85 N HN 0.457 nan 8.380 nan 0.000 0.431 86 N N 1.334 120.148 118.700 0.189 0.000 2.251 86 N HA 0.064 4.806 4.740 0.004 0.000 0.217 86 N C -0.709 174.942 175.510 0.235 0.000 1.124 86 N CA -0.042 53.129 53.050 0.201 0.000 0.843 86 N CB 0.048 38.667 38.487 0.219 0.000 1.024 86 N HN 0.136 nan 8.380 nan 0.000 0.501 87 N N 1.375 120.185 118.700 0.183 0.000 2.696 87 N HA -0.144 4.598 4.740 0.004 0.000 0.256 87 N C -0.909 174.800 175.510 0.332 0.000 1.031 87 N CA 0.805 53.980 53.050 0.209 0.000 0.730 87 N CB -1.131 37.541 38.487 0.308 0.000 0.894 87 N HN 0.391 nan 8.380 nan 0.000 0.544 88 S N -0.357 115.546 115.700 0.339 0.000 2.547 88 S HA 0.735 5.208 4.470 0.004 0.000 0.281 88 S C -0.604 174.264 174.600 0.446 0.000 1.118 88 S CA -0.901 57.541 58.200 0.403 0.000 0.947 88 S CB 2.262 65.692 63.200 0.383 0.000 1.053 88 S HN 0.361 nan 8.310 nan 0.000 0.482 89 Y N 0.492 120.985 120.300 0.322 0.000 2.693 89 Y HA 0.835 5.388 4.550 0.004 0.000 0.331 89 Y C -0.445 175.607 175.900 0.252 0.000 1.092 89 Y CA -1.442 56.803 58.100 0.242 0.000 1.131 89 Y CB 1.127 39.691 38.460 0.174 0.000 1.318 89 Y HN 0.940 nan 8.280 nan 0.000 0.510 90 R N 1.074 121.727 120.500 0.255 0.000 2.673 90 R HA 0.785 5.128 4.340 0.004 0.000 0.281 90 R C -2.395 174.065 176.300 0.267 0.000 0.991 90 R CA -0.857 55.236 56.100 -0.011 0.000 0.896 90 R CB 2.320 32.524 30.300 -0.159 0.000 1.201 90 R HN 0.742 nan 8.270 nan 0.000 0.457 91 V N 4.301 124.383 119.914 0.281 0.000 2.588 91 V HA 0.630 4.752 4.120 0.004 0.000 0.304 91 V C -0.558 175.823 176.094 0.479 0.000 1.042 91 V CA -0.765 61.843 62.300 0.513 0.000 0.877 91 V CB 1.742 34.039 31.823 0.790 0.000 0.996 91 V HN 0.732 nan 8.190 nan 0.000 0.425 92 R N 4.782 125.564 120.500 0.470 0.000 2.522 92 R HA 0.594 4.936 4.340 0.004 0.000 0.273 92 R C -2.085 174.485 176.300 0.450 0.000 1.133 92 R CA -0.317 56.030 56.100 0.412 0.000 0.969 92 R CB 2.057 32.504 30.300 0.246 0.000 1.235 92 R HN 0.710 nan 8.270 nan 0.000 0.433 93 F N 1.239 121.310 119.950 0.202 0.000 2.745 93 F HA 0.609 5.138 4.527 0.004 0.000 0.316 93 F C -1.771 174.039 175.800 0.016 0.000 1.155 93 F CA -1.214 56.834 58.000 0.081 0.000 0.937 93 F CB 1.438 40.464 39.000 0.043 0.000 1.361 93 F HN 0.361 nan 8.300 nan 0.000 0.472 94 N N 1.401 120.042 118.700 -0.099 0.000 2.549 94 N HA 0.477 5.219 4.740 0.004 0.000 0.281 94 N C -2.443 172.786 175.510 -0.468 0.000 1.084 94 N CA -2.484 50.382 53.050 -0.307 0.000 0.862 94 N CB 2.043 40.433 38.487 -0.162 0.000 1.333 94 N HN 0.351 nan 8.380 nan 0.000 0.523 95 P HA 0.119 nan 4.420 nan 0.000 0.242 95 P C -0.550 176.250 177.300 -0.833 0.000 1.197 95 P CA 0.838 63.179 63.100 -1.266 0.000 0.765 95 P CB 0.533 31.182 31.700 -1.752 0.000 0.936 96 D N -1.425 118.691 120.400 -0.474 0.000 2.474 96 D HA 0.329 4.971 4.640 0.004 0.000 0.213 96 D C 1.104 177.307 176.300 -0.162 0.000 1.120 96 D CA 0.278 54.118 54.000 -0.267 0.000 0.836 96 D CB 0.757 41.440 40.800 -0.194 0.000 1.019 96 D HN 0.129 nan 8.370 nan 0.000 0.507 97 G N 0.343 109.046 108.800 -0.161 0.000 2.325 97 G HA2 0.278 4.240 3.960 0.004 0.000 0.295 97 G HA3 0.278 4.240 3.960 0.004 0.000 0.295 97 G C -2.956 171.904 174.900 -0.065 0.000 1.274 97 G CA -0.961 44.091 45.100 -0.080 0.000 0.857 97 G HN -0.236 nan 8.290 nan 0.000 0.499 98 P HA 0.340 nan 4.420 nan 0.000 0.271 98 P C -0.016 177.250 177.300 -0.056 0.000 1.218 98 P CA -0.064 63.022 63.100 -0.022 0.000 0.780 98 P CB 0.918 32.608 31.700 -0.017 0.000 0.901 99 I N 2.916 123.475 120.570 -0.018 0.000 2.598 99 I HA 0.040 4.213 4.170 0.004 0.000 0.284 99 I C 1.420 177.503 176.117 -0.057 0.000 1.140 99 I CA 0.552 61.841 61.300 -0.019 0.000 1.420 99 I CB 0.016 38.047 38.000 0.052 0.000 1.387 99 I HN 0.193 nan 8.210 nan 0.000 0.553 100 R N 4.705 125.136 120.500 -0.115 0.000 2.711 100 R HA 0.349 4.691 4.340 0.004 0.000 0.284 100 R C -1.070 175.267 176.300 0.062 0.000 0.968 100 R CA -0.919 55.092 56.100 -0.147 0.000 0.924 100 R CB 1.449 31.407 30.300 -0.570 0.000 1.162 100 R HN 0.504 nan 8.270 nan 0.000 0.465 101 D N 2.376 122.837 120.400 0.102 0.000 2.308 101 D HA 0.066 4.709 4.640 0.004 0.000 0.251 101 D C 0.151 176.614 176.300 0.271 0.000 1.127 101 D CA -0.154 53.941 54.000 0.158 0.000 0.876 101 D CB 1.504 42.358 40.800 0.091 0.000 1.176 101 D HN 0.234 nan 8.370 nan 0.000 0.446 102 V N 1.069 121.094 119.914 0.185 0.000 2.529 102 V HA 0.033 4.156 4.120 0.004 0.000 0.292 102 V C 1.580 177.662 176.094 -0.019 0.000 1.028 102 V CA -0.035 62.237 62.300 -0.045 0.000 1.074 102 V CB 0.359 32.069 31.823 -0.188 0.000 0.958 102 V HN 0.686 nan 8.190 nan 0.000 0.481 103 T N 1.828 116.363 114.554 -0.030 0.000 2.857 103 T HA -0.021 4.331 4.350 0.004 0.000 0.266 103 T C 0.950 175.645 174.700 -0.009 0.000 1.048 103 T CA 0.934 63.038 62.100 0.007 0.000 1.139 103 T CB -0.012 68.883 68.868 0.045 0.000 0.874 103 T HN 0.788 nan 8.240 nan 0.000 0.455 104 R N 0.670 121.130 120.500 -0.067 0.000 2.480 104 R HA 0.593 4.935 4.340 0.004 0.000 0.306 104 R C -0.682 175.561 176.300 -0.094 0.000 0.958 104 R CA -0.157 55.933 56.100 -0.016 0.000 0.861 104 R CB 1.459 31.761 30.300 0.003 0.000 1.171 104 R HN 0.503 nan 8.270 nan 0.000 0.445 105 G N 3.537 112.326 108.800 -0.018 0.000 2.316 105 G HA2 0.134 4.096 3.960 0.004 0.000 0.296 105 G HA3 0.134 4.096 3.960 0.004 0.000 0.296 105 G C -2.659 172.258 174.900 0.029 0.000 1.399 105 G CA -0.858 44.168 45.100 -0.123 0.000 0.833 105 G HN 0.369 nan 8.290 nan 0.000 0.565 106 P HA 0.077 nan 4.420 nan 0.000 0.216 106 P C 0.737 177.966 177.300 -0.118 0.000 1.153 106 P CA 0.969 64.020 63.100 -0.083 0.000 0.848 106 P CB 0.264 31.791 31.700 -0.289 0.000 0.787 107 I N 1.053 121.595 120.570 -0.048 0.000 2.307 107 I HA 0.272 4.444 4.170 0.004 0.000 0.289 107 I C 0.375 176.496 176.117 0.006 0.000 1.021 107 I CA -0.626 60.653 61.300 -0.036 0.000 1.224 107 I CB 0.598 38.590 38.000 -0.013 0.000 1.376 107 I HN -0.126 nan 8.210 nan 0.000 0.470 108 L N 5.593 126.793 121.223 -0.039 0.000 2.342 108 L HA 0.428 4.770 4.340 0.004 0.000 0.271 108 L C 1.468 178.272 176.870 -0.109 0.000 1.008 108 L CA -0.723 54.072 54.840 -0.075 0.000 0.818 108 L CB 2.293 44.268 42.059 -0.141 0.000 1.296 108 L HN 0.514 nan 8.230 nan 0.000 0.427 109 K N 1.301 121.650 120.400 -0.085 0.000 2.044 109 K HA -0.238 4.084 4.320 0.004 0.000 0.210 109 K C 1.576 178.079 176.600 -0.162 0.000 1.049 109 K CA 2.102 58.349 56.287 -0.066 0.000 0.927 109 K CB 0.144 32.626 32.500 -0.030 0.000 0.713 109 K HN 0.638 nan 8.250 nan 0.000 0.443 110 Q N 0.312 119.898 119.800 -0.356 0.000 2.181 110 Q HA -0.227 4.116 4.340 0.004 0.000 0.205 110 Q C 2.061 177.705 176.000 -0.593 0.000 0.980 110 Q CA 1.862 57.326 55.803 -0.564 0.000 0.862 110 Q CB -0.213 27.923 28.738 -1.002 0.000 0.905 110 Q HN 0.377 nan 8.270 nan 0.000 0.429 111 Q N 0.494 119.935 119.800 -0.599 0.000 2.083 111 Q HA -0.044 4.298 4.340 0.004 0.000 0.198 111 Q C 1.726 177.789 176.000 0.106 0.000 0.969 111 Q CA 1.232 56.967 55.803 -0.114 0.000 0.838 111 Q CB -0.123 28.602 28.738 -0.022 0.000 0.900 111 Q HN 0.463 nan 8.270 nan 0.000 0.436 112 L N 0.352 121.606 121.223 0.053 0.000 2.046 112 L HA -0.199 4.144 4.340 0.004 0.000 0.208 112 L C 1.853 178.787 176.870 0.107 0.000 1.077 112 L CA 1.378 56.293 54.840 0.125 0.000 0.747 112 L CB -0.578 41.556 42.059 0.126 0.000 0.896 112 L HN 0.220 nan 8.230 nan 0.000 0.432 113 D N -0.734 119.700 120.400 0.055 0.000 2.097 113 D HA -0.239 4.403 4.640 0.004 0.000 0.195 113 D C 1.705 178.043 176.300 0.065 0.000 0.989 113 D CA 1.145 55.160 54.000 0.025 0.000 0.827 113 D CB -0.348 40.459 40.800 0.011 0.000 0.966 113 D HN 0.369 nan 8.370 nan 0.000 0.456 114 W N 1.456 122.748 121.300 -0.013 0.000 2.338 114 W HA -0.149 4.513 4.660 0.004 0.000 0.304 114 W C 2.075 178.614 176.519 0.034 0.000 1.212 114 W CA 1.368 58.735 57.345 0.036 0.000 1.264 114 W CB -0.260 29.269 29.460 0.116 0.000 1.142 114 W HN -0.088 nan 8.180 nan 0.000 0.512 115 I N -0.039 120.697 120.570 0.278 0.000 2.179 115 I HA -0.298 3.874 4.170 0.004 0.000 0.242 115 I C 2.677 178.768 176.117 -0.043 0.000 1.088 115 I CA 1.698 63.089 61.300 0.151 0.000 1.357 115 I CB -0.829 37.345 38.000 0.290 0.000 1.051 115 I HN -0.024 nan 8.210 nan 0.000 0.409 116 R N 0.686 121.131 120.500 -0.090 0.000 2.075 116 R HA -0.143 4.200 4.340 0.004 0.000 0.232 116 R C 2.333 178.359 176.300 -0.456 0.000 1.126 116 R CA 1.996 57.858 56.100 -0.396 0.000 0.963 116 R CB -0.261 29.733 30.300 -0.510 0.000 0.858 116 R HN 0.233 nan 8.270 nan 0.000 0.435 117 T N 1.211 115.560 114.554 -0.342 0.000 2.720 117 T HA -0.154 4.198 4.350 0.004 0.000 0.268 117 T C 1.704 176.185 174.700 -0.365 0.000 1.037 117 T CA 1.091 62.996 62.100 -0.325 0.000 1.144 117 T CB -0.110 68.608 68.868 -0.251 0.000 0.864 117 T HN 0.271 nan 8.240 nan 0.000 0.444 118 Q N 1.094 120.592 119.800 -0.503 0.000 1.948 118 Q HA -0.121 4.221 4.340 0.004 0.000 0.205 118 Q C 2.383 178.246 176.000 -0.228 0.000 0.992 118 Q CA 1.656 57.180 55.803 -0.465 0.000 0.849 118 Q CB -0.512 27.832 28.738 -0.658 0.000 0.918 118 Q HN 0.633 nan 8.270 nan 0.000 0.421 119 E N 0.461 120.581 120.200 -0.133 0.000 2.171 119 E HA -0.170 4.183 4.350 0.004 0.000 0.197 119 E C 2.192 178.795 176.600 0.006 0.000 0.997 119 E CA 0.572 56.990 56.400 0.031 0.000 0.810 119 E CB -0.139 29.717 29.700 0.261 0.000 0.738 119 E HN 0.235 nan 8.360 nan 0.000 0.467 120 L N 0.705 121.849 121.223 -0.132 0.000 2.046 120 L HA -0.175 4.168 4.340 0.004 0.000 0.208 120 L C 2.507 179.326 176.870 -0.084 0.000 1.077 120 L CA 1.415 56.181 54.840 -0.124 0.000 0.747 120 L CB -0.312 41.594 42.059 -0.254 0.000 0.896 120 L HN 0.206 nan 8.230 nan 0.000 0.432 121 S N -1.549 114.087 115.700 -0.107 0.000 2.555 121 S HA -0.107 4.366 4.470 0.004 0.000 0.230 121 S C 1.339 175.910 174.600 -0.049 0.000 0.978 121 S CA 0.526 58.679 58.200 -0.079 0.000 0.934 121 S CB -0.201 62.943 63.200 -0.094 0.000 0.766 121 S HN 0.466 nan 8.310 nan 0.000 0.533 122 E N 0.853 121.030 120.200 -0.038 0.000 2.474 122 E HA 0.331 4.684 4.350 0.004 0.000 0.195 122 E C 0.937 177.526 176.600 -0.017 0.000 1.039 122 E CA 0.094 56.485 56.400 -0.014 0.000 0.881 122 E CB 0.070 29.775 29.700 0.008 0.000 0.970 122 E HN 0.615 nan 8.360 nan 0.000 0.486 123 G N 1.330 110.114 108.800 -0.027 0.000 2.246 123 G HA2 -0.319 3.643 3.960 0.004 0.000 0.273 123 G HA3 -0.319 3.643 3.960 0.004 0.000 0.273 123 G C 0.183 175.028 174.900 -0.091 0.000 1.055 123 G CA -0.041 45.036 45.100 -0.037 0.000 0.851 123 G HN 0.331 nan 8.290 nan 0.000 0.500 124 C N 0.555 119.792 119.300 -0.105 0.000 2.632 124 C HA 0.509 4.971 4.460 0.004 0.000 0.415 124 C C 0.530 175.330 174.990 -0.317 0.000 1.332 124 C CA -0.347 58.435 59.018 -0.393 0.000 1.874 124 C CB 0.904 28.488 27.740 -0.260 0.000 2.596 124 C HN 0.529 nan 8.230 nan 0.000 0.590 125 D N 3.878 123.924 120.400 -0.592 0.000 2.420 125 D HA 0.284 4.927 4.640 0.004 0.000 0.255 125 D C -1.287 174.852 176.300 -0.268 0.000 1.185 125 D CA -1.469 52.368 54.000 -0.272 0.000 0.904 125 D CB 1.371 42.096 40.800 -0.125 0.000 1.102 125 D HN 0.283 nan 8.370 nan 0.000 0.534 126 P HA 0.077 nan 4.420 nan 0.000 0.223 126 P C 0.826 178.084 177.300 -0.070 0.000 1.151 126 P CA 0.720 63.745 63.100 -0.127 0.000 0.787 126 P CB 0.295 31.685 31.700 -0.517 0.000 0.788 127 G N 0.412 109.150 108.800 -0.103 0.000 2.246 127 G HA2 -0.274 3.689 3.960 0.004 0.000 0.273 127 G HA3 -0.274 3.689 3.960 0.004 0.000 0.273 127 G C 0.124 174.985 174.900 -0.066 0.000 1.055 127 G CA -0.025 45.041 45.100 -0.056 0.000 0.851 127 G HN 0.253 nan 8.290 nan 0.000 0.500 128 M N 0.411 119.952 119.600 -0.099 0.000 2.260 128 M HA 0.380 4.862 4.480 0.004 0.000 0.348 128 M C 0.715 176.911 176.300 -0.172 0.000 1.342 128 M CA 1.261 56.480 55.300 -0.135 0.000 1.040 128 M CB 0.691 33.178 32.600 -0.189 0.000 1.810 128 M HN 0.352 nan 8.290 nan 0.000 0.453 129 T N 3.242 117.644 114.554 -0.253 0.000 2.885 129 T HA 0.585 4.937 4.350 0.004 0.000 0.322 129 T C -1.741 172.757 174.700 -0.336 0.000 1.387 129 T CA -0.706 61.254 62.100 -0.232 0.000 1.041 129 T CB 0.823 69.639 68.868 -0.086 0.000 1.287 129 T HN 0.341 nan 8.240 nan 0.000 0.491 130 F N 3.451 123.404 119.950 0.005 0.000 2.385 130 F HA 0.427 4.956 4.527 0.004 0.000 0.360 130 F C 1.507 177.287 175.800 -0.033 0.000 1.122 130 F CA -0.580 57.416 58.000 -0.007 0.000 1.090 130 F CB 1.494 40.489 39.000 -0.009 0.000 1.150 130 F HN 0.650 nan 8.300 nan 0.000 0.472 131 T N -1.212 113.414 114.554 0.120 0.000 2.802 131 T HA 0.101 4.453 4.350 0.004 0.000 0.305 131 T C 1.476 176.138 174.700 -0.063 0.000 1.053 131 T CA -0.087 62.023 62.100 0.016 0.000 1.058 131 T CB 1.078 69.951 68.868 0.009 0.000 0.988 131 T HN 0.667 nan 8.240 nan 0.000 0.539 132 S N 0.762 116.406 115.700 -0.093 0.000 2.387 132 S HA -0.221 4.252 4.470 0.004 0.000 0.230 132 S C 1.565 176.039 174.600 -0.209 0.000 1.035 132 S CA 1.507 59.638 58.200 -0.115 0.000 1.014 132 S CB -0.859 62.287 63.200 -0.089 0.000 0.836 132 S HN 0.828 nan 8.310 nan 0.000 0.466 133 E N 1.330 121.296 120.200 -0.391 0.000 2.338 133 E HA 0.260 4.613 4.350 0.004 0.000 0.197 133 E C 1.569 177.834 176.600 -0.558 0.000 1.007 133 E CA 0.757 56.793 56.400 -0.606 0.000 0.849 133 E CB -0.661 28.342 29.700 -1.161 0.000 0.774 133 E HN 0.776 nan 8.360 nan 0.000 0.506 134 G N -0.702 107.861 108.800 -0.396 0.000 2.163 134 G HA2 -0.222 3.740 3.960 0.004 0.000 0.213 134 G HA3 -0.222 3.740 3.960 0.004 0.000 0.213 134 G C -0.116 174.845 174.900 0.102 0.000 0.991 134 G CA -0.351 44.665 45.100 -0.141 0.000 0.653 134 G HN 0.100 nan 8.290 nan 0.000 0.518 135 F N 0.043 120.063 119.950 0.117 0.000 2.496 135 F HA 0.623 5.152 4.527 0.004 0.000 0.344 135 F C 0.688 176.566 175.800 0.131 0.000 1.155 135 F CA -1.458 56.583 58.000 0.069 0.000 1.302 135 F CB 0.541 39.533 39.000 -0.014 0.000 1.159 135 F HN 0.097 nan 8.300 nan 0.000 0.595 136 L N 2.596 123.943 121.223 0.207 0.000 2.296 136 L HA 0.601 4.943 4.340 0.004 0.000 0.286 136 L C -0.144 176.633 176.870 -0.155 0.000 1.023 136 L CA -0.173 54.656 54.840 -0.017 0.000 0.812 136 L CB 1.038 43.086 42.059 -0.019 0.000 1.223 136 L HN 0.742 nan 8.230 nan 0.000 0.421 137 T N 2.286 116.734 114.554 -0.177 0.000 2.841 137 T HA 0.810 5.163 4.350 0.004 0.000 0.283 137 T C -0.532 174.091 174.700 -0.128 0.000 1.000 137 T CA -0.542 61.418 62.100 -0.234 0.000 0.977 137 T CB 1.253 70.004 68.868 -0.194 0.000 0.979 137 T HN 0.543 nan 8.240 nan 0.000 0.446 138 F N -0.879 118.898 119.950 -0.288 0.000 2.685 138 F HA 0.891 5.421 4.527 0.004 0.000 0.315 138 F C -0.991 174.662 175.800 -0.245 0.000 1.126 138 F CA -1.226 56.614 58.000 -0.266 0.000 0.950 138 F CB 1.381 40.202 39.000 -0.298 0.000 1.360 138 F HN 0.598 nan 8.300 nan 0.000 0.469 139 E N 0.093 120.305 120.200 0.021 0.000 2.392 139 E HA 0.615 4.967 4.350 0.004 0.000 0.269 139 E C -1.187 175.416 176.600 0.006 0.000 0.924 139 E CA -1.071 55.287 56.400 -0.070 0.000 0.784 139 E CB 2.783 32.462 29.700 -0.035 0.000 1.292 139 E HN 0.831 nan 8.360 nan 0.000 0.447 140 T N -2.383 112.042 114.554 -0.215 0.000 2.773 140 T HA 0.293 4.646 4.350 0.004 0.000 0.278 140 T C 0.935 175.086 174.700 -0.915 0.000 1.011 140 T CA -0.878 60.847 62.100 -0.625 0.000 1.014 140 T CB 1.548 70.215 68.868 -0.334 0.000 1.293 140 T HN 0.474 nan 8.240 nan 0.000 0.554 141 K N 0.056 119.665 120.400 -1.319 0.000 2.127 141 K HA -0.184 4.138 4.320 0.004 0.000 0.208 141 K C 0.501 176.952 176.600 -0.248 0.000 1.047 141 K CA 2.181 58.100 56.287 -0.614 0.000 0.927 141 K CB -0.116 32.202 32.500 -0.303 0.000 0.716 141 K HN 0.568 nan 8.250 nan 0.000 0.450 142 D N -1.008 119.253 120.400 -0.230 0.000 2.520 142 D HA 0.175 4.818 4.640 0.004 0.000 0.223 142 D C -0.224 175.929 176.300 -0.245 0.000 1.186 142 D CA 0.060 53.967 54.000 -0.156 0.000 0.821 142 D CB 0.774 41.550 40.800 -0.040 0.000 1.072 142 D HN 0.109 nan 8.370 nan 0.000 0.518 143 L N 0.466 121.516 121.223 -0.289 0.000 2.350 143 L HA 0.509 4.851 4.340 0.004 0.000 0.260 143 L C -0.288 176.399 176.870 -0.305 0.000 1.015 143 L CA -0.807 53.835 54.840 -0.329 0.000 0.821 143 L CB 2.295 44.133 42.059 -0.369 0.000 1.370 143 L HN -0.196 nan 8.230 nan 0.000 0.416 144 S N 0.295 115.788 115.700 -0.345 0.000 2.536 144 S HA 0.869 5.341 4.470 0.004 0.000 0.287 144 S C -0.989 173.283 174.600 -0.547 0.000 1.101 144 S CA -0.726 57.226 58.200 -0.412 0.000 0.950 144 S CB 2.138 65.151 63.200 -0.313 0.000 1.056 144 S HN 0.249 nan 8.310 nan 0.000 0.481 145 V N 2.906 122.320 119.914 -0.833 0.000 2.735 145 V HA 0.630 4.752 4.120 0.004 0.000 0.310 145 V C -0.671 174.892 176.094 -0.884 0.000 1.061 145 V CA -0.771 60.949 62.300 -0.966 0.000 0.913 145 V CB 1.742 32.634 31.823 -1.552 0.000 1.005 145 V HN 0.995 nan 8.190 nan 0.000 0.428 146 I N 4.789 124.935 120.570 -0.707 0.000 2.447 146 I HA 0.572 4.744 4.170 0.004 0.000 0.287 146 I C -1.070 174.578 176.117 -0.782 0.000 1.023 146 I CA -0.463 60.411 61.300 -0.710 0.000 1.083 146 I CB 1.148 38.730 38.000 -0.697 0.000 1.245 146 I HN 0.553 nan 8.210 nan 0.000 0.434 147 I N 8.122 128.285 120.570 -0.678 0.000 2.339 147 I HA 0.302 4.474 4.170 0.004 0.000 0.290 147 I C -0.667 175.117 176.117 -0.554 0.000 0.994 147 I CA -0.497 60.423 61.300 -0.633 0.000 1.191 147 I CB 0.919 38.530 38.000 -0.648 0.000 1.343 147 I HN 0.490 nan 8.210 nan 0.000 0.458 148 Y N 3.260 123.366 120.300 -0.324 0.000 2.378 148 Y HA 0.298 4.850 4.550 0.004 0.000 0.351 148 Y C 1.754 177.663 175.900 0.015 0.000 1.351 148 Y CA 0.076 57.982 58.100 -0.323 0.000 1.616 148 Y CB 0.170 38.320 38.460 -0.516 0.000 1.622 148 Y HN 0.611 nan 8.280 nan 0.000 0.568 149 G N 0.398 109.431 108.800 0.389 0.000 2.446 149 G HA2 -0.303 3.659 3.960 0.004 0.000 0.217 149 G HA3 -0.303 3.659 3.960 0.004 0.000 0.217 149 G C 1.067 176.057 174.900 0.150 0.000 1.168 149 G CA 1.218 46.484 45.100 0.277 0.000 0.771 149 G HN 0.682 nan 8.290 nan 0.000 0.551 150 N N -1.146 117.630 118.700 0.127 0.000 2.370 150 N HA 0.058 4.800 4.740 0.004 0.000 0.198 150 N C 0.682 176.301 175.510 0.183 0.000 1.156 150 N CA -0.234 52.871 53.050 0.092 0.000 0.839 150 N CB -0.321 38.200 38.487 0.056 0.000 0.989 150 N HN 0.351 nan 8.380 nan 0.000 0.468 151 F N -0.679 119.280 119.950 0.014 0.000 2.681 151 F HA -0.247 4.282 4.527 0.004 0.000 0.299 151 F C 0.158 175.973 175.800 0.025 0.000 0.676 151 F CA 0.122 58.129 58.000 0.012 0.000 1.496 151 F CB -1.325 37.661 39.000 -0.023 0.000 1.827 151 F HN 0.069 nan 8.300 nan 0.000 0.328 152 K N 2.082 122.550 120.400 0.114 0.000 2.472 152 K HA 0.320 4.642 4.320 0.004 0.000 0.280 152 K C -0.281 176.281 176.600 -0.063 0.000 1.028 152 K CA 0.871 57.211 56.287 0.088 0.000 1.045 152 K CB 0.639 33.224 32.500 0.141 0.000 0.902 152 K HN 0.168 nan 8.250 nan 0.000 0.478 153 T N 6.009 120.508 114.554 -0.091 0.000 2.807 153 T HA 0.470 4.822 4.350 0.004 0.000 0.279 153 T C -0.708 173.865 174.700 -0.212 0.000 0.993 153 T CA -0.755 61.203 62.100 -0.237 0.000 0.970 153 T CB 0.814 69.562 68.868 -0.200 0.000 0.950 153 T HN 0.525 nan 8.240 nan 0.000 0.441 154 R N 1.713 122.034 120.500 -0.298 0.000 2.534 154 R HA 0.679 5.021 4.340 0.004 0.000 0.301 154 R C -1.243 174.845 176.300 -0.355 0.000 0.961 154 R CA -0.796 55.146 56.100 -0.264 0.000 0.871 154 R CB 1.988 32.169 30.300 -0.198 0.000 1.170 154 R HN 0.355 nan 8.270 nan 0.000 0.446 155 V N 2.556 122.272 119.914 -0.331 0.000 2.357 155 V HA 0.371 4.494 4.120 0.004 0.000 0.284 155 V C -0.201 175.686 176.094 -0.344 0.000 1.018 155 V CA -0.613 61.466 62.300 -0.368 0.000 0.841 155 V CB 1.701 33.322 31.823 -0.336 0.000 0.991 155 V HN 0.763 nan 8.190 nan 0.000 0.437 156 T N 4.954 119.300 114.554 -0.346 0.000 2.807 156 T HA 0.446 4.799 4.350 0.004 0.000 0.279 156 T C -0.047 174.464 174.700 -0.314 0.000 0.993 156 T CA -0.553 61.365 62.100 -0.303 0.000 0.970 156 T CB 1.341 70.056 68.868 -0.256 0.000 0.950 156 T HN 0.670 nan 8.240 nan 0.000 0.441 157 R N 2.296 122.617 120.500 -0.299 0.000 2.389 157 R HA 0.199 4.541 4.340 0.004 0.000 0.295 157 R C 1.032 177.214 176.300 -0.196 0.000 1.075 157 R CA -0.196 55.738 56.100 -0.276 0.000 1.005 157 R CB 0.400 30.564 30.300 -0.227 0.000 0.987 157 R HN 0.622 nan 8.270 nan 0.000 0.452 158 K N 1.547 121.841 120.400 -0.177 0.000 2.057 158 K HA -0.099 4.223 4.320 0.004 0.000 0.206 158 K C 1.923 178.467 176.600 -0.094 0.000 1.050 158 K CA 1.719 57.927 56.287 -0.132 0.000 0.935 158 K CB 0.046 32.475 32.500 -0.118 0.000 0.715 158 K HN 0.563 nan 8.250 nan 0.000 0.439 159 S N 2.073 117.728 115.700 -0.076 0.000 2.380 159 S HA -0.203 4.269 4.470 0.004 0.000 0.229 159 S C 1.404 175.973 174.600 -0.051 0.000 1.050 159 S CA 2.202 60.373 58.200 -0.048 0.000 1.100 159 S CB -0.414 62.771 63.200 -0.026 0.000 0.984 159 S HN 0.543 nan 8.310 nan 0.000 0.434 160 D N -1.031 119.333 120.400 -0.061 0.000 2.469 160 D HA 0.315 4.957 4.640 0.004 0.000 0.213 160 D C 1.011 177.263 176.300 -0.081 0.000 1.135 160 D CA 0.547 54.511 54.000 -0.060 0.000 0.834 160 D CB -0.534 40.238 40.800 -0.047 0.000 1.009 160 D HN 0.465 nan 8.370 nan 0.000 0.507 161 G N 1.182 109.921 108.800 -0.103 0.000 2.221 161 G HA2 -0.339 3.623 3.960 0.004 0.000 0.265 161 G HA3 -0.339 3.623 3.960 0.004 0.000 0.265 161 G C 0.034 174.849 174.900 -0.142 0.000 1.041 161 G CA 0.253 45.280 45.100 -0.121 0.000 0.807 161 G HN 0.530 nan 8.290 nan 0.000 0.502 162 K N 0.568 120.870 120.400 -0.163 0.000 2.258 162 K HA 0.466 4.788 4.320 0.004 0.000 0.284 162 K C 0.732 177.168 176.600 -0.273 0.000 1.051 162 K CA -0.685 55.477 56.287 -0.208 0.000 0.923 162 K CB 0.823 33.197 32.500 -0.210 0.000 1.046 162 K HN 0.031 nan 8.250 nan 0.000 0.474 163 V N 7.684 127.431 119.914 -0.278 0.000 2.409 163 V HA -0.040 4.082 4.120 0.004 0.000 0.270 163 V C 1.477 177.316 176.094 -0.425 0.000 1.019 163 V CA 0.210 62.331 62.300 -0.299 0.000 1.066 163 V CB -0.221 31.466 31.823 -0.227 0.000 1.021 163 V HN 0.789 nan 8.190 nan 0.000 0.476 164 I N 1.858 122.164 120.570 -0.439 0.000 3.228 164 I HA 0.294 4.467 4.170 0.004 0.000 0.279 164 I C 0.614 176.536 176.117 -0.324 0.000 1.221 164 I CA 0.920 61.871 61.300 -0.583 0.000 1.458 164 I CB 0.448 38.187 38.000 -0.434 0.000 1.105 164 I HN 0.558 nan 8.210 nan 0.000 0.445 165 M N 2.464 121.887 119.600 -0.295 0.000 2.465 165 M HA 0.432 4.914 4.480 0.004 0.000 0.284 165 M C -2.187 174.017 176.300 -0.160 0.000 1.212 165 M CA -0.118 55.047 55.300 -0.225 0.000 0.910 165 M CB 2.709 34.901 32.600 -0.680 0.000 1.725 165 M HN 0.433 nan 8.290 nan 0.000 0.477 166 E N 1.819 122.001 120.200 -0.031 0.000 2.363 166 E HA 0.456 4.809 4.350 0.004 0.000 0.281 166 E C -1.433 175.153 176.600 -0.022 0.000 0.953 166 E CA -0.990 55.383 56.400 -0.046 0.000 0.778 166 E CB 1.158 30.866 29.700 0.014 0.000 1.220 166 E HN 0.694 nan 8.360 nan 0.000 0.431 167 N N 1.116 119.793 118.700 -0.037 0.000 2.366 167 N HA 0.245 4.987 4.740 0.004 0.000 0.277 167 N C -0.863 174.674 175.510 0.046 0.000 1.275 167 N CA -0.498 52.562 53.050 0.018 0.000 0.964 167 N CB 0.349 38.878 38.487 0.070 0.000 1.167 167 N HN 0.628 nan 8.380 nan 0.000 0.568 168 D N -2.136 118.308 120.400 0.074 0.000 2.198 168 D HA 0.305 4.947 4.640 0.004 0.000 0.247 168 D C -1.254 175.075 176.300 0.048 0.000 1.010 168 D CA -0.397 53.634 54.000 0.050 0.000 0.880 168 D CB 0.964 41.797 40.800 0.055 0.000 1.209 168 D HN 0.449 nan 8.370 nan 0.000 0.451 169 E N 1.436 121.648 120.200 0.021 0.000 2.210 169 E HA 0.450 4.802 4.350 0.004 0.000 0.266 169 E C -1.343 175.253 176.600 -0.005 0.000 0.883 169 E CA -1.113 55.295 56.400 0.013 0.000 0.761 169 E CB 2.617 32.318 29.700 0.003 0.000 1.156 169 E HN 0.215 nan 8.360 nan 0.000 0.412 170 V N 2.661 122.570 119.914 -0.009 0.000 2.513 170 V HA 0.659 4.781 4.120 0.004 0.000 0.299 170 V C 0.143 176.225 176.094 -0.021 0.000 1.035 170 V CA -0.252 62.035 62.300 -0.023 0.000 0.889 170 V CB 1.508 33.309 31.823 -0.038 0.000 0.988 170 V HN 0.743 nan 8.190 nan 0.000 0.440 171 G N 4.047 112.833 108.800 -0.024 0.000 2.572 171 G HA2 0.578 4.540 3.960 0.004 0.000 0.261 171 G HA3 0.578 4.540 3.960 0.004 0.000 0.261 171 G C -0.079 174.806 174.900 -0.024 0.000 1.197 171 G CA 0.324 45.410 45.100 -0.023 0.000 0.870 171 G HN 1.136 nan 8.290 nan 0.000 0.548 172 T N -2.887 111.654 114.554 -0.021 0.000 2.901 172 T HA 0.617 4.969 4.350 0.004 0.000 0.293 172 T C 1.370 176.058 174.700 -0.021 0.000 1.084 172 T CA 0.255 62.341 62.100 -0.022 0.000 1.008 172 T CB 1.644 70.500 68.868 -0.019 0.000 1.170 172 T HN 0.969 nan 8.240 nan 0.000 0.509 173 A N 1.797 124.604 122.820 -0.022 0.000 1.859 173 A HA 0.078 4.400 4.320 0.004 0.000 0.218 173 A C 1.594 179.168 177.584 -0.017 0.000 1.209 173 A CA 2.049 54.074 52.037 -0.019 0.000 0.639 173 A CB -1.105 17.884 19.000 -0.020 0.000 0.835 173 A HN 1.830 nan 8.150 nan 0.000 0.450 174 S N -3.154 112.537 115.700 -0.015 0.000 2.593 174 S HA 0.520 4.992 4.470 0.004 0.000 0.178 174 S C -0.216 174.378 174.600 -0.010 0.000 1.114 174 S CA 0.201 58.393 58.200 -0.013 0.000 1.199 174 S CB 0.385 63.578 63.200 -0.012 0.000 1.564 174 S HN 0.380 nan 8.310 nan 0.000 0.407 175 S N 0.493 116.186 115.700 -0.010 0.000 2.998 175 S HA 0.653 5.125 4.470 0.004 0.000 0.256 175 S C 0.901 175.498 174.600 -0.006 0.000 0.970 175 S CA -0.079 58.117 58.200 -0.006 0.000 1.238 175 S CB 0.617 63.815 63.200 -0.003 0.000 1.170 175 S HN 1.640 nan 8.310 nan 0.000 0.663 176 G N 2.566 111.359 108.800 -0.010 0.000 2.693 176 G HA2 -0.231 3.731 3.960 0.004 0.000 0.226 176 G HA3 -0.231 3.731 3.960 0.004 0.000 0.226 176 G C -0.717 174.176 174.900 -0.011 0.000 1.354 176 G CA -0.687 44.405 45.100 -0.012 0.000 0.873 176 G HN 0.467 nan 8.290 nan 0.000 0.562 177 N N 0.859 119.552 118.700 -0.013 0.000 2.530 177 N HA 0.507 5.249 4.740 0.004 0.000 0.277 177 N C -0.307 175.205 175.510 0.004 0.000 1.168 177 N CA -0.291 52.753 53.050 -0.010 0.000 0.979 177 N CB 0.685 39.161 38.487 -0.019 0.000 1.141 177 N HN 0.398 nan 8.380 nan 0.000 0.459 178 K N 1.419 121.826 120.400 0.011 0.000 2.426 178 K HA 0.253 4.575 4.320 0.004 0.000 0.254 178 K C -1.167 175.459 176.600 0.043 0.000 0.936 178 K CA -0.542 55.762 56.287 0.029 0.000 0.801 178 K CB 1.816 34.335 32.500 0.032 0.000 1.139 178 K HN 0.521 nan 8.250 nan 0.000 0.424 179 C N 4.336 123.676 119.300 0.068 0.000 2.540 179 C HA 0.211 4.673 4.460 0.004 0.000 0.377 179 C C 1.327 176.388 174.990 0.117 0.000 1.274 179 C CA -0.336 58.741 59.018 0.099 0.000 1.718 179 C CB -0.876 26.953 27.740 0.148 0.000 2.391 179 C HN 0.719 nan 8.230 nan 0.000 0.565 180 R N 3.492 124.053 120.500 0.101 0.000 2.325 180 R HA 0.054 4.397 4.340 0.004 0.000 0.214 180 R C 1.997 178.413 176.300 0.194 0.000 0.961 180 R CA 0.611 56.774 56.100 0.106 0.000 1.086 180 R CB -0.036 30.281 30.300 0.028 0.000 1.037 180 R HN 0.971 nan 8.270 nan 0.000 0.493 181 G N 0.495 109.427 108.800 0.221 0.000 2.534 181 G HA2 -0.067 3.895 3.960 0.004 0.000 0.217 181 G HA3 -0.067 3.895 3.960 0.004 0.000 0.217 181 G C 0.607 175.694 174.900 0.311 0.000 1.128 181 G CA 0.278 45.562 45.100 0.307 0.000 0.784 181 G HN 0.143 nan 8.290 nan 0.000 0.542 182 L N 0.863 122.201 121.223 0.193 0.000 2.492 182 L HA 0.504 4.846 4.340 0.004 0.000 0.258 182 L C -0.771 176.302 176.870 0.338 0.000 1.028 182 L CA -0.253 54.649 54.840 0.103 0.000 0.900 182 L CB 1.546 43.502 42.059 -0.171 0.000 1.191 182 L HN 0.024 nan 8.230 nan 0.000 0.459 183 M N 3.880 123.744 119.600 0.440 0.000 2.395 183 M HA 0.619 5.101 4.480 0.004 0.000 0.307 183 M C -0.994 175.722 176.300 0.694 0.000 1.091 183 M CA -0.625 54.964 55.300 0.482 0.000 0.919 183 M CB 2.311 35.136 32.600 0.375 0.000 1.662 183 M HN 0.321 nan 8.290 nan 0.000 0.440 184 F N -0.273 119.944 119.950 0.446 0.000 2.588 184 F HA 0.830 5.359 4.527 0.004 0.000 0.310 184 F C -1.012 174.773 175.800 -0.025 0.000 1.082 184 F CA -1.423 56.715 58.000 0.230 0.000 0.929 184 F CB 0.590 39.626 39.000 0.059 0.000 1.254 184 F HN 0.225 nan 8.300 nan 0.000 0.455 185 V N 2.092 121.739 119.914 -0.446 0.000 2.740 185 V HA 0.015 4.138 4.120 0.004 0.000 0.303 185 V C 0.337 176.385 176.094 -0.077 0.000 1.054 185 V CA -0.116 61.745 62.300 -0.731 0.000 1.106 185 V CB 0.488 31.791 31.823 -0.868 0.000 0.957 185 V HN 0.837 nan 8.190 nan 0.000 0.486 186 D N 3.236 123.619 120.400 -0.029 0.000 2.583 186 D HA -0.055 4.587 4.640 0.004 0.000 0.232 186 D C 0.973 177.391 176.300 0.196 0.000 1.128 186 D CA -0.015 54.163 54.000 0.298 0.000 0.859 186 D CB 0.631 41.561 40.800 0.217 0.000 1.169 186 D HN 0.336 nan 8.370 nan 0.000 0.481 187 R N 2.904 123.536 120.500 0.221 0.000 2.343 187 R HA 0.119 4.461 4.340 0.004 0.000 0.202 187 R C 1.252 177.521 176.300 -0.052 0.000 1.023 187 R CA 0.180 56.310 56.100 0.049 0.000 1.084 187 R CB -0.311 30.008 30.300 0.032 0.000 0.956 187 R HN 0.503 nan 8.270 nan 0.000 0.478 188 L N -1.641 119.516 121.223 -0.111 0.000 2.477 188 L HA 0.054 4.396 4.340 0.004 0.000 0.220 188 L C 0.673 177.159 176.870 -0.641 0.000 1.106 188 L CA 0.718 55.311 54.840 -0.412 0.000 0.851 188 L CB 0.097 41.798 42.059 -0.597 0.000 0.994 188 L HN 0.205 nan 8.230 nan 0.000 0.462 189 Y N -1.396 118.854 120.300 -0.085 0.000 2.585 189 Y HA 0.457 5.009 4.550 0.004 0.000 0.272 189 Y C 1.160 176.968 175.900 -0.154 0.000 1.119 189 Y CA 0.033 58.062 58.100 -0.118 0.000 1.255 189 Y CB 0.619 38.988 38.460 -0.151 0.000 1.284 189 Y HN -0.045 nan 8.280 nan 0.000 0.499 190 G N -0.356 108.407 108.800 -0.061 0.000 2.634 190 G HA2 0.310 4.273 3.960 0.004 0.000 0.309 190 G HA3 0.310 4.273 3.960 0.004 0.000 0.309 190 G C -0.932 173.835 174.900 -0.221 0.000 1.299 190 G CA -0.603 44.394 45.100 -0.171 0.000 0.798 190 G HN 0.018 nan 8.290 nan 0.000 0.490 191 N N -0.564 117.933 118.700 -0.337 0.000 2.113 191 N HA 0.428 5.170 4.740 0.004 0.000 0.223 191 N C 0.638 175.963 175.510 -0.309 0.000 1.310 191 N CA 0.276 53.104 53.050 -0.371 0.000 0.896 191 N CB 1.387 39.485 38.487 -0.649 0.000 1.097 191 N HN 0.761 nan 8.380 nan 0.000 0.507 192 A N 1.088 123.745 122.820 -0.272 0.000 2.492 192 A HA 0.475 4.797 4.320 0.004 0.000 0.236 192 A C 0.221 177.886 177.584 0.135 0.000 1.078 192 A CA 0.004 52.031 52.037 -0.017 0.000 0.773 192 A CB -0.262 18.836 19.000 0.163 0.000 1.023 192 A HN 0.370 nan 8.150 nan 0.000 0.504 193 I N -2.623 118.176 120.570 0.381 0.000 2.892 193 I HA 0.943 5.115 4.170 0.004 0.000 0.306 193 I C -0.207 176.321 176.117 0.685 0.000 1.078 193 I CA -0.664 60.962 61.300 0.544 0.000 1.032 193 I CB 2.305 40.543 38.000 0.397 0.000 1.229 193 I HN 1.003 nan 8.210 nan 0.000 0.435 194 A N 2.336 125.593 122.820 0.728 0.000 2.608 194 A HA 0.865 5.187 4.320 0.004 0.000 0.292 194 A C -1.195 176.777 177.584 0.646 0.000 1.066 194 A CA -0.462 51.907 52.037 0.553 0.000 0.676 194 A CB 1.512 20.621 19.000 0.182 0.000 1.277 194 A HN 0.977 nan 8.150 nan 0.000 0.413 195 S N -0.167 115.899 115.700 0.610 0.000 2.572 195 S HA 0.633 5.105 4.470 0.004 0.000 0.274 195 S C -1.666 173.337 174.600 0.673 0.000 1.150 195 S CA -0.340 58.286 58.200 0.710 0.000 0.944 195 S CB 1.363 65.162 63.200 1.000 0.000 1.071 195 S HN 1.378 nan 8.310 nan 0.000 0.479 196 V N 5.459 125.659 119.914 0.478 0.000 2.444 196 V HA 0.568 4.690 4.120 0.004 0.000 0.294 196 V C -0.389 175.886 176.094 0.302 0.000 1.022 196 V CA -0.977 61.572 62.300 0.415 0.000 0.850 196 V CB 1.726 33.683 31.823 0.222 0.000 0.992 196 V HN 0.827 nan 8.190 nan 0.000 0.426 197 N N 2.806 121.698 118.700 0.321 0.000 2.456 197 N HA 0.386 5.128 4.740 0.004 0.000 0.296 197 N C -0.301 175.285 175.510 0.125 0.000 1.102 197 N CA -0.668 52.472 53.050 0.150 0.000 0.924 197 N CB 2.007 40.547 38.487 0.087 0.000 1.186 197 N HN 0.559 nan 8.380 nan 0.000 0.492 198 K N 1.206 121.619 120.400 0.022 0.000 2.447 198 K HA -0.003 4.319 4.320 0.004 0.000 0.281 198 K C -0.045 176.415 176.600 -0.234 0.000 1.031 198 K CA 0.125 56.310 56.287 -0.168 0.000 1.019 198 K CB 0.212 32.540 32.500 -0.287 0.000 0.918 198 K HN 0.382 nan 8.250 nan 0.000 0.476 199 N N 3.583 122.135 118.700 -0.247 0.000 2.446 199 N HA 0.142 4.884 4.740 0.004 0.000 0.265 199 N C -0.852 174.577 175.510 -0.135 0.000 0.975 199 N CA -0.524 52.522 53.050 -0.006 0.000 0.928 199 N CB 0.472 39.026 38.487 0.111 0.000 1.160 199 N HN 0.335 nan 8.380 nan 0.000 0.495 200 F N 2.526 122.623 119.950 0.245 0.000 2.645 200 F HA 0.234 4.763 4.527 0.004 0.000 0.300 200 F C 2.060 177.954 175.800 0.158 0.000 1.115 200 F CA -0.431 57.673 58.000 0.173 0.000 1.355 200 F CB 0.118 39.221 39.000 0.171 0.000 1.026 200 F HN 0.533 nan 8.300 nan 0.000 0.536 201 R N -0.057 120.626 120.500 0.305 0.000 2.119 201 R HA -0.231 4.111 4.340 0.004 0.000 0.246 201 R C 1.200 177.583 176.300 0.139 0.000 1.146 201 R CA 2.073 58.306 56.100 0.222 0.000 0.962 201 R CB -0.657 29.751 30.300 0.179 0.000 0.863 201 R HN 0.157 nan 8.270 nan 0.000 0.442 202 N N 0.927 119.699 118.700 0.118 0.000 2.446 202 N HA -0.046 4.696 4.740 0.004 0.000 0.179 202 N C -0.527 175.043 175.510 0.099 0.000 1.054 202 N CA 0.464 53.562 53.050 0.080 0.000 0.905 202 N CB -0.281 38.235 38.487 0.048 0.000 0.973 202 N HN 0.322 nan 8.380 nan 0.000 0.448 203 D N -0.312 120.184 120.400 0.159 0.000 2.493 203 D HA 0.111 4.753 4.640 0.004 0.000 0.240 203 D C 1.044 177.407 176.300 0.106 0.000 1.142 203 D CA 0.036 54.133 54.000 0.161 0.000 0.872 203 D CB 0.901 41.850 40.800 0.249 0.000 1.173 203 D HN 0.168 nan 8.370 nan 0.000 0.467 204 A N 3.023 125.888 122.820 0.076 0.000 1.969 204 A HA -0.083 4.239 4.320 0.004 0.000 0.218 204 A C 1.972 179.582 177.584 0.045 0.000 1.169 204 A CA 1.005 53.072 52.037 0.050 0.000 0.635 204 A CB -0.187 18.836 19.000 0.038 0.000 0.810 204 A HN 0.504 nan 8.150 nan 0.000 0.445 205 V N -0.136 119.808 119.914 0.050 0.000 2.341 205 V HA -0.146 3.977 4.120 0.004 0.000 0.240 205 V C 2.371 178.496 176.094 0.053 0.000 1.035 205 V CA 1.951 64.275 62.300 0.040 0.000 1.033 205 V CB -0.569 31.271 31.823 0.028 0.000 0.678 205 V HN 0.490 nan 8.190 nan 0.000 0.464 206 K N -0.240 120.206 120.400 0.077 0.000 1.984 206 K HA -0.103 4.219 4.320 0.004 0.000 0.209 206 K C 0.626 177.274 176.600 0.079 0.000 1.046 206 K CA 0.987 57.338 56.287 0.108 0.000 0.934 206 K CB -0.199 32.390 32.500 0.147 0.000 0.717 206 K HN 0.406 nan 8.250 nan 0.000 0.438 207 Q N 0.968 120.829 119.800 0.100 0.000 2.463 207 Q HA -0.170 4.173 4.340 0.004 0.000 0.299 207 Q C -1.186 174.848 176.000 0.057 0.000 1.353 207 Q CA 0.272 56.118 55.803 0.072 0.000 0.828 207 Q CB -1.598 27.159 28.738 0.033 0.000 1.157 207 Q HN 0.375 nan 8.270 nan 0.000 0.436 208 E N -0.101 120.162 120.200 0.105 0.000 2.608 208 E HA 0.101 4.454 4.350 0.004 0.000 0.259 208 E C 0.727 177.329 176.600 0.002 0.000 0.951 208 E CA 0.758 57.170 56.400 0.020 0.000 0.945 208 E CB 0.451 30.218 29.700 0.111 0.000 0.916 208 E HN 0.381 nan 8.360 nan 0.000 0.477 209 G N 2.407 111.134 108.800 -0.122 0.000 2.417 209 G HA2 0.529 4.492 3.960 0.004 0.000 0.334 209 G HA3 0.529 4.492 3.960 0.004 0.000 0.334 209 G C -1.203 173.504 174.900 -0.321 0.000 1.150 209 G CA -0.577 44.442 45.100 -0.136 0.000 0.923 209 G HN 0.340 nan 8.290 nan 0.000 0.485 210 F N 0.639 120.366 119.950 -0.372 0.000 2.460 210 F HA 0.498 5.028 4.527 0.004 0.000 0.341 210 F C -0.623 174.934 175.800 -0.405 0.000 1.130 210 F CA -0.477 57.368 58.000 -0.258 0.000 0.962 210 F CB 1.972 40.859 39.000 -0.188 0.000 1.171 210 F HN 0.342 nan 8.300 nan 0.000 0.436 211 Y N 0.920 121.196 120.300 -0.039 0.000 2.562 211 Y HA 0.817 5.370 4.550 0.004 0.000 0.343 211 Y C 0.737 176.598 175.900 -0.066 0.000 1.025 211 Y CA -0.453 57.626 58.100 -0.035 0.000 1.082 211 Y CB 2.208 40.636 38.460 -0.053 0.000 1.264 211 Y HN 0.752 nan 8.280 nan 0.000 0.478 212 G N 0.408 109.312 108.800 0.173 0.000 2.436 212 G HA2 0.201 4.163 3.960 0.004 0.000 0.205 212 G HA3 0.201 4.163 3.960 0.004 0.000 0.205 212 G C 0.238 175.247 174.900 0.181 0.000 1.188 212 G CA -0.161 45.042 45.100 0.172 0.000 1.267 212 G HN 1.692 nan 8.290 nan 0.000 0.536 213 A N 0.007 122.940 122.820 0.188 0.000 2.748 213 A HA 0.281 4.604 4.320 0.004 0.000 0.297 213 A C 2.552 180.252 177.584 0.193 0.000 1.508 213 A CA 1.873 54.014 52.037 0.174 0.000 0.799 213 A CB -1.689 17.365 19.000 0.089 0.000 1.011 213 A HN 3.018 nan 8.150 nan 0.000 0.500 214 G N -0.867 108.081 108.800 0.247 0.000 2.692 214 G HA2 -0.433 3.530 3.960 0.004 0.000 0.339 214 G HA3 -0.433 3.530 3.960 0.004 0.000 0.339 214 G C 0.705 175.670 174.900 0.108 0.000 1.226 214 G CA 1.090 46.312 45.100 0.204 0.000 0.979 214 G HN 1.092 nan 8.290 nan 0.000 0.549 215 E N 0.085 120.344 120.200 0.098 0.000 2.474 215 E HA 0.332 4.685 4.350 0.004 0.000 0.195 215 E C 0.841 177.433 176.600 -0.013 0.000 1.039 215 E CA -0.137 56.273 56.400 0.016 0.000 0.881 215 E CB 0.498 30.202 29.700 0.006 0.000 0.970 215 E HN 0.272 nan 8.360 nan 0.000 0.486 216 V N 3.222 123.159 119.914 0.038 0.000 2.694 216 V HA -0.091 4.031 4.120 0.004 0.000 0.306 216 V C 0.410 176.536 176.094 0.054 0.000 1.054 216 V CA 0.359 62.682 62.300 0.038 0.000 1.161 216 V CB 0.316 32.185 31.823 0.076 0.000 0.916 216 V HN 0.241 nan 8.190 nan 0.000 0.490 217 N N 2.638 121.376 118.700 0.064 0.000 2.456 217 N HA 0.518 5.260 4.740 0.004 0.000 0.296 217 N C -0.858 174.798 175.510 0.244 0.000 1.102 217 N CA -0.295 52.853 53.050 0.162 0.000 0.924 217 N CB 1.878 40.452 38.487 0.144 0.000 1.186 217 N HN 0.713 nan 8.380 nan 0.000 0.492 218 C N 1.495 120.989 119.300 0.323 0.000 2.607 218 C HA 0.319 4.781 4.460 0.004 0.000 0.350 218 C C -0.476 174.525 174.990 0.019 0.000 1.101 218 C CA -0.858 58.288 59.018 0.215 0.000 1.282 218 C CB 0.250 28.108 27.740 0.196 0.000 1.825 218 C HN 0.680 nan 8.230 nan 0.000 0.460 219 K N 3.739 124.028 120.400 -0.184 0.000 2.172 219 K HA 0.547 4.869 4.320 0.004 0.000 0.276 219 K C -1.683 174.887 176.600 -0.049 0.000 1.013 219 K CA -0.358 55.627 56.287 -0.503 0.000 0.913 219 K CB 1.223 33.335 32.500 -0.647 0.000 1.055 219 K HN 0.759 nan 8.250 nan 0.000 0.461 220 Y N 4.666 124.874 120.300 -0.153 0.000 2.396 220 Y HA 0.096 4.648 4.550 0.004 0.000 0.332 220 Y C 0.010 175.902 175.900 -0.014 0.000 1.034 220 Y CA -0.384 57.694 58.100 -0.038 0.000 1.057 220 Y CB 0.932 39.387 38.460 -0.008 0.000 1.220 220 Y HN 0.869 nan 8.280 nan 0.000 0.440 221 Q N 2.227 121.625 119.800 -0.670 0.000 2.224 221 Q HA -0.334 4.009 4.340 0.004 0.000 0.415 221 Q C 0.061 175.982 176.000 -0.132 0.000 0.619 221 Q CA 2.277 57.842 55.803 -0.397 0.000 0.957 221 Q CB -1.017 27.471 28.738 -0.416 0.000 2.552 221 Q HN 0.929 nan 8.270 nan 0.000 0.903 222 D N 0.786 121.178 120.400 -0.013 0.000 2.369 222 D HA 0.165 4.807 4.640 0.004 0.000 0.211 222 D C -0.075 176.392 176.300 0.278 0.000 1.077 222 D CA 0.440 54.528 54.000 0.146 0.000 0.842 222 D CB 0.490 41.391 40.800 0.168 0.000 0.947 222 D HN 0.231 nan 8.370 nan 0.000 0.509 223 T N 0.025 114.679 114.554 0.166 0.000 2.887 223 T HA 0.347 4.699 4.350 0.004 0.000 0.288 223 T C -0.509 174.196 174.700 0.007 0.000 1.021 223 T CA -0.540 61.684 62.100 0.208 0.000 1.000 223 T CB 1.555 70.607 68.868 0.308 0.000 1.034 223 T HN -0.170 nan 8.240 nan 0.000 0.467 224 Y N 2.483 122.819 120.300 0.061 0.000 2.316 224 Y HA 0.532 5.084 4.550 0.003 0.000 0.331 224 Y C 0.792 176.737 175.900 0.075 0.000 1.083 224 Y CA -0.986 57.147 58.100 0.055 0.000 1.206 224 Y CB 0.438 38.891 38.460 -0.012 0.000 1.195 224 Y HN 0.506 nan 8.280 nan 0.000 0.497 225 I N 0.678 121.359 120.570 0.184 0.000 2.863 225 I HA 0.378 4.550 4.170 0.004 0.000 0.311 225 I C 0.299 176.490 176.117 0.123 0.000 1.026 225 I CA -1.031 60.351 61.300 0.136 0.000 1.077 225 I CB 1.563 39.615 38.000 0.087 0.000 1.262 225 I HN 0.548 nan 8.210 nan 0.000 0.461 226 L N 1.764 123.054 121.223 0.111 0.000 2.044 226 L HA 0.202 4.544 4.340 0.004 0.000 0.205 226 L C 1.178 178.098 176.870 0.082 0.000 1.075 226 L CA 1.556 56.472 54.840 0.127 0.000 0.747 226 L CB -0.345 41.822 42.059 0.180 0.000 0.903 226 L HN 0.824 nan 8.230 nan 0.000 0.435 227 E N 0.178 120.367 120.200 -0.018 0.000 2.331 227 E HA 0.121 4.473 4.350 0.004 0.000 0.272 227 E C -0.411 176.089 176.600 -0.168 0.000 1.036 227 E CA -0.514 55.745 56.400 -0.235 0.000 0.864 227 E CB 0.544 30.001 29.700 -0.404 0.000 1.035 227 E HN 0.160 nan 8.360 nan 0.000 0.408 228 R N 3.309 123.692 120.500 -0.195 0.000 3.220 228 R HA 0.224 4.566 4.340 0.004 0.000 0.324 228 R C -0.898 175.313 176.300 -0.149 0.000 1.283 228 R CA -0.239 55.787 56.100 -0.122 0.000 1.387 228 R CB 0.728 30.997 30.300 -0.052 0.000 1.413 228 R HN 0.363 nan 8.270 nan 0.000 0.610 229 T N -0.512 113.936 114.554 -0.177 0.000 2.824 229 T HA 0.419 4.772 4.350 0.004 0.000 0.280 229 T C 0.825 175.382 174.700 -0.239 0.000 0.995 229 T CA 0.050 62.054 62.100 -0.159 0.000 1.009 229 T CB 1.802 70.633 68.868 -0.062 0.000 0.955 229 T HN 0.643 nan 8.240 nan 0.000 0.452 230 G N 2.755 111.367 108.800 -0.314 0.000 2.225 230 G HA2 -0.190 3.773 3.960 0.004 0.000 0.264 230 G HA3 -0.190 3.773 3.960 0.004 0.000 0.264 230 G C -0.037 174.651 174.900 -0.353 0.000 1.060 230 G CA 0.502 45.431 45.100 -0.284 0.000 0.833 230 G HN 0.988 nan 8.290 nan 0.000 0.498 231 I N -3.754 116.557 120.570 -0.432 0.000 2.994 231 I HA 0.892 5.064 4.170 0.004 0.000 0.306 231 I C -0.044 175.870 176.117 -0.337 0.000 1.195 231 I CA -1.381 59.555 61.300 -0.607 0.000 1.001 231 I CB 2.258 39.707 38.000 -0.919 0.000 1.244 231 I HN 0.528 nan 8.210 nan 0.000 0.437 232 A N 5.890 128.650 122.820 -0.101 0.000 2.256 232 A HA 0.851 5.173 4.320 0.004 0.000 0.317 232 A C -0.434 177.343 177.584 0.321 0.000 1.318 232 A CA -0.479 51.653 52.037 0.158 0.000 0.894 232 A CB 0.347 19.564 19.000 0.362 0.000 1.165 232 A HN 0.771 nan 8.150 nan 0.000 0.525 233 M N 1.164 120.843 119.600 0.132 0.000 2.664 233 M HA 0.611 5.094 4.480 0.004 0.000 0.314 233 M C 0.041 176.363 176.300 0.036 0.000 1.200 233 M CA -0.425 54.952 55.300 0.127 0.000 0.916 233 M CB 2.531 35.170 32.600 0.065 0.000 1.717 233 M HN 0.577 nan 8.290 nan 0.000 0.470 234 T N 0.320 114.854 114.554 -0.033 0.000 2.903 234 T HA 0.486 4.839 4.350 0.004 0.000 0.299 234 T C -1.501 173.107 174.700 -0.154 0.000 1.093 234 T CA -0.897 61.059 62.100 -0.240 0.000 1.002 234 T CB 1.054 69.701 68.868 -0.367 0.000 1.127 234 T HN 0.676 nan 8.240 nan 0.000 0.488 235 N N 3.221 121.794 118.700 -0.212 0.000 2.476 235 N HA 0.355 5.097 4.740 0.004 0.000 0.257 235 N C -1.748 173.751 175.510 -0.019 0.000 0.970 235 N CA -0.259 52.747 53.050 -0.074 0.000 0.938 235 N CB 1.348 39.809 38.487 -0.044 0.000 1.144 235 N HN 0.650 nan 8.380 nan 0.000 0.500 236 Y N 2.105 122.322 120.300 -0.138 0.000 2.555 236 Y HA 0.153 4.705 4.550 0.003 0.000 0.307 236 Y C -0.904 174.962 175.900 -0.057 0.000 1.138 236 Y CA -0.844 57.183 58.100 -0.121 0.000 1.335 236 Y CB -0.067 38.306 38.460 -0.145 0.000 1.115 236 Y HN 0.309 nan 8.280 nan 0.000 0.565 237 N N 3.249 121.868 118.700 -0.135 0.000 2.142 237 N HA -0.070 4.672 4.740 0.004 0.000 0.282 237 N C -1.186 174.258 175.510 -0.110 0.000 1.342 237 N CA 1.242 54.233 53.050 -0.097 0.000 0.831 237 N CB -0.141 38.291 38.487 -0.091 0.000 1.083 237 N HN 0.569 nan 8.380 nan 0.000 0.492 238 Y N 0.111 120.263 120.300 -0.245 0.000 2.581 238 Y HA 0.186 4.738 4.550 0.003 0.000 0.345 238 Y C -0.512 175.254 175.900 -0.224 0.000 1.036 238 Y CA -1.425 56.538 58.100 -0.229 0.000 1.042 238 Y CB 1.556 39.901 38.460 -0.192 0.000 1.289 238 Y HN 0.351 nan 8.280 nan 0.000 0.471 239 D N 2.249 122.453 120.400 -0.326 0.000 2.558 239 D HA 0.068 4.710 4.640 0.004 0.000 0.221 239 D C -0.701 175.625 176.300 0.043 0.000 1.143 239 D CA 0.298 54.244 54.000 -0.091 0.000 1.010 239 D CB -0.478 40.237 40.800 -0.142 0.000 1.068 239 D HN 0.402 nan 8.370 nan 0.000 0.511 240 N N 3.681 122.348 118.700 -0.055 0.000 3.025 240 N HA 0.101 4.843 4.740 0.004 0.000 0.315 240 N C -0.507 175.161 175.510 0.263 0.000 1.511 240 N CA -0.563 52.524 53.050 0.061 0.000 1.097 240 N CB -0.250 38.151 38.487 -0.143 0.000 1.395 240 N HN 0.458 nan 8.380 nan 0.000 0.511 241 L N 1.464 122.881 121.223 0.323 0.000 2.615 241 L HA -0.052 4.290 4.340 0.004 0.000 0.284 241 L C 0.456 177.487 176.870 0.267 0.000 1.237 241 L CA 0.916 55.958 54.840 0.337 0.000 0.905 241 L CB -0.108 42.124 42.059 0.289 0.000 1.149 241 L HN 0.681 nan 8.230 nan 0.000 0.499 242 N N 2.392 121.181 118.700 0.148 0.000 2.900 242 N HA -0.298 4.444 4.740 0.004 0.000 0.240 242 N C -0.342 175.287 175.510 0.197 0.000 0.953 242 N CA 0.848 53.913 53.050 0.025 0.000 0.950 242 N CB -0.705 37.868 38.487 0.142 0.000 1.102 242 N HN 0.826 nan 8.380 nan 0.000 0.593 243 Y N -3.097 117.378 120.300 0.291 0.000 4.936 243 Y HA -0.244 4.308 4.550 0.004 0.000 0.266 243 Y C 0.562 176.549 175.900 0.145 0.000 0.909 243 Y CA 1.309 59.532 58.100 0.204 0.000 1.828 243 Y CB -2.459 36.139 38.460 0.230 0.000 1.283 243 Y HN 0.654 nan 8.280 nan 0.000 0.511 244 N N -0.818 118.076 118.700 0.322 0.000 2.571 244 N HA 0.139 4.881 4.740 0.004 0.000 0.298 244 N C -0.532 175.143 175.510 0.275 0.000 1.671 244 N CA -0.288 52.916 53.050 0.256 0.000 0.900 244 N CB 0.260 38.908 38.487 0.268 0.000 1.365 244 N HN 0.032 nan 8.380 nan 0.000 0.493 245 Q N 0.356 120.317 119.800 0.268 0.000 2.269 245 Q HA -0.116 4.226 4.340 0.004 0.000 0.300 245 Q C 0.814 177.015 176.000 0.334 0.000 1.070 245 Q CA 0.070 56.063 55.803 0.317 0.000 0.957 245 Q CB 0.886 29.839 28.738 0.359 0.000 1.131 245 Q HN 0.585 nan 8.270 nan 0.000 0.377 246 W N 4.530 125.928 121.300 0.164 0.000 2.325 246 W HA -0.224 4.439 4.660 0.006 0.000 0.299 246 W C 0.626 177.223 176.519 0.130 0.000 1.215 246 W CA 1.807 59.233 57.345 0.136 0.000 1.244 246 W CB 0.273 29.808 29.460 0.125 0.000 1.140 246 W HN 0.708 nan 8.180 nan 0.000 0.523 247 D N 0.469 120.980 120.400 0.184 0.000 2.392 247 D HA -0.154 4.488 4.640 0.004 0.000 0.228 247 D C 1.547 177.928 176.300 0.134 0.000 1.003 247 D CA 0.823 54.876 54.000 0.089 0.000 0.917 247 D CB -1.063 39.880 40.800 0.238 0.000 0.890 247 D HN 0.283 nan 8.370 nan 0.000 0.532 248 L N 0.196 121.462 121.223 0.071 0.000 2.700 248 L HA 0.196 4.539 4.340 0.004 0.000 0.234 248 L C 0.963 177.912 176.870 0.132 0.000 1.156 248 L CA -0.602 54.289 54.840 0.085 0.000 0.946 248 L CB -0.096 41.926 42.059 -0.060 0.000 1.216 248 L HN -0.047 nan 8.230 nan 0.000 0.493 249 R N 1.349 121.772 120.500 -0.129 0.000 2.594 249 R HA 0.308 4.650 4.340 0.004 0.000 0.272 249 R C -2.483 173.538 176.300 -0.465 0.000 1.074 249 R CA -1.554 54.356 56.100 -0.317 0.000 1.105 249 R CB -0.376 29.492 30.300 -0.720 0.000 1.008 249 R HN -0.167 nan 8.270 nan 0.000 0.472 250 P HA 0.101 nan 4.420 nan 0.000 0.268 250 P C -2.440 174.321 177.300 -0.898 0.000 1.205 250 P CA -1.291 61.027 63.100 -1.304 0.000 0.771 250 P CB -0.246 31.024 31.700 -0.718 0.000 0.858 251 P HA -0.090 nan 4.420 nan 0.000 0.261 251 P C -0.203 176.862 177.300 -0.392 0.000 1.173 251 P CA 0.842 63.493 63.100 -0.748 0.000 0.760 251 P CB -0.579 30.693 31.700 -0.713 0.000 0.783 252 H N -1.797 117.157 119.070 -0.194 0.000 2.820 252 H HA -0.255 4.303 4.556 0.003 0.000 0.295 252 H C 0.310 175.607 175.328 -0.052 0.000 1.187 252 H CA 0.337 56.330 56.048 -0.091 0.000 1.144 252 H CB -2.483 27.241 29.762 -0.064 0.000 1.354 252 H HN 0.606 nan 8.280 nan 0.000 0.395 253 H N 1.529 120.535 119.070 -0.108 0.000 2.929 253 H HA 0.106 4.664 4.556 0.003 0.000 0.317 253 H C 0.089 175.469 175.328 0.087 0.000 1.031 253 H CA 0.101 56.121 56.048 -0.046 0.000 1.466 253 H CB 0.584 30.260 29.762 -0.143 0.000 1.482 253 H HN 0.278 nan 8.280 nan 0.000 0.561 254 D N 3.698 123.917 120.400 -0.301 0.000 2.175 254 D HA 0.389 5.032 4.640 0.004 0.000 0.248 254 D C 0.825 177.099 176.300 -0.043 0.000 1.047 254 D CA 0.855 54.817 54.000 -0.065 0.000 0.883 254 D CB 1.654 42.417 40.800 -0.061 0.000 1.180 254 D HN 0.970 nan 8.370 nan 0.000 0.438 255 G N 1.003 109.922 108.800 0.198 0.000 2.642 255 G HA2 0.007 3.969 3.960 0.004 0.000 0.231 255 G HA3 0.007 3.969 3.960 0.004 0.000 0.231 255 G C -0.017 175.118 174.900 0.393 0.000 1.338 255 G CA -0.313 44.912 45.100 0.207 0.000 0.883 255 G HN 0.768 nan 8.290 nan 0.000 0.570 256 A N -0.845 122.162 122.820 0.310 0.000 2.511 256 A HA 0.516 4.838 4.320 0.004 0.000 0.242 256 A C 0.358 178.273 177.584 0.552 0.000 1.069 256 A CA 0.884 53.136 52.037 0.358 0.000 0.763 256 A CB 0.712 19.859 19.000 0.244 0.000 1.001 256 A HN 2.090 nan 8.150 nan 0.000 0.498 257 L N 3.485 125.028 121.223 0.534 0.000 2.262 257 L HA 0.350 4.692 4.340 0.004 0.000 0.288 257 L C -0.417 176.618 176.870 0.276 0.000 1.035 257 L CA -0.274 54.766 54.840 0.334 0.000 0.820 257 L CB 0.459 42.681 42.059 0.270 0.000 1.204 257 L HN 0.672 nan 8.230 nan 0.000 0.424 258 N N 5.609 124.453 118.700 0.240 0.000 2.515 258 N HA 0.384 5.126 4.740 0.004 0.000 0.279 258 N C -2.523 173.097 175.510 0.183 0.000 1.164 258 N CA -1.673 51.519 53.050 0.236 0.000 0.982 258 N CB 0.701 39.338 38.487 0.249 0.000 1.170 258 N HN 0.382 nan 8.380 nan 0.000 0.474 259 P HA 0.103 nan 4.420 nan 0.000 0.263 259 P C -0.644 176.787 177.300 0.218 0.000 1.195 259 P CA 0.741 63.965 63.100 0.208 0.000 0.762 259 P CB 0.502 32.301 31.700 0.167 0.000 0.799 260 D N 0.825 121.188 120.400 -0.062 0.000 2.671 260 D HA 0.056 4.698 4.640 0.004 0.000 0.273 260 D C 0.522 176.577 176.300 -0.409 0.000 1.264 260 D CA -0.465 53.370 54.000 -0.274 0.000 0.788 260 D CB 0.550 40.983 40.800 -0.612 0.000 1.324 260 D HN 0.271 nan 8.370 nan 0.000 0.424 261 Y N 0.478 120.678 120.300 -0.167 0.000 2.384 261 Y HA -0.156 4.397 4.550 0.004 0.000 0.289 261 Y C 1.271 177.194 175.900 0.039 0.000 1.152 261 Y CA 1.257 59.348 58.100 -0.014 0.000 1.258 261 Y CB -1.050 37.459 38.460 0.081 0.000 0.979 261 Y HN 0.377 nan 8.280 nan 0.000 0.549 262 Y N -0.240 120.024 120.300 -0.060 0.000 2.524 262 Y HA 0.531 5.083 4.550 0.003 0.000 0.266 262 Y C -0.353 175.583 175.900 0.060 0.000 1.180 262 Y CA -1.970 56.179 58.100 0.081 0.000 1.244 262 Y CB -0.731 37.801 38.460 0.120 0.000 1.125 262 Y HN 0.011 nan 8.280 nan 0.000 0.524 263 I N 4.736 125.268 120.570 -0.063 0.000 2.378 263 I HA 0.355 4.527 4.170 0.004 0.000 0.291 263 I C -2.255 173.851 176.117 -0.019 0.000 0.992 263 I CA -2.461 58.832 61.300 -0.013 0.000 1.154 263 I CB 1.824 39.785 38.000 -0.066 0.000 1.315 263 I HN -0.096 nan 8.210 nan 0.000 0.448 264 P HA 0.254 nan 4.420 nan 0.000 0.273 264 P C -0.710 176.549 177.300 -0.070 0.000 1.250 264 P CA -0.221 62.858 63.100 -0.035 0.000 0.793 264 P CB 1.246 32.931 31.700 -0.025 0.000 1.011 265 M N -0.631 118.935 119.600 -0.057 0.000 2.555 265 M HA 0.234 4.716 4.480 0.004 0.000 0.265 265 M C 1.256 177.483 176.300 -0.121 0.000 1.020 265 M CA -0.310 54.910 55.300 -0.133 0.000 1.162 265 M CB -0.428 32.146 32.600 -0.044 0.000 1.557 265 M HN 0.231 nan 8.290 nan 0.000 0.643 266 Y N -1.361 118.965 120.300 0.043 0.000 2.500 266 Y HA 0.119 4.671 4.550 0.003 0.000 0.270 266 Y C 0.068 176.030 175.900 0.104 0.000 1.134 266 Y CA 0.262 58.385 58.100 0.039 0.000 1.293 266 Y CB 0.252 38.692 38.460 -0.034 0.000 1.063 266 Y HN 0.310 nan 8.280 nan 0.000 0.534 267 Y N 0.492 120.861 120.300 0.116 0.000 2.361 267 Y HA 0.679 5.231 4.550 0.003 0.000 0.337 267 Y C -0.511 175.456 175.900 0.111 0.000 0.965 267 Y CA -2.180 55.980 58.100 0.101 0.000 1.091 267 Y CB 1.114 39.618 38.460 0.075 0.000 1.182 267 Y HN -0.116 nan 8.280 nan 0.000 0.450 268 A N 4.707 127.436 122.820 -0.152 0.000 2.527 268 A HA 0.644 4.966 4.320 0.004 0.000 0.313 268 A C -0.287 177.340 177.584 0.071 0.000 1.410 268 A CA 0.140 52.194 52.037 0.029 0.000 1.060 268 A CB -0.858 18.200 19.000 0.098 0.000 1.137 268 A HN 0.945 nan 8.150 nan 0.000 0.542 269 A N 5.110 128.033 122.820 0.171 0.000 2.938 269 A HA 0.629 4.952 4.320 0.004 0.000 0.344 269 A C -2.563 175.186 177.584 0.274 0.000 1.142 269 A CA -1.379 50.811 52.037 0.256 0.000 0.841 269 A CB 0.314 19.542 19.000 0.380 0.000 1.083 269 A HN 0.508 nan 8.150 nan 0.000 0.479 270 P HA 0.075 nan 4.420 nan 0.000 0.237 270 P C -0.678 176.841 177.300 0.364 0.000 1.788 270 P CA 0.417 63.638 63.100 0.201 0.000 1.061 270 P CB -0.566 31.208 31.700 0.123 0.000 1.967 271 W N 4.998 126.351 121.300 0.088 0.000 3.439 271 W HA 0.500 5.162 4.660 0.003 0.000 0.323 271 W C -2.672 173.874 176.519 0.044 0.000 1.174 271 W CA -0.859 56.537 57.345 0.085 0.000 1.224 271 W CB 1.544 31.067 29.460 0.106 0.000 1.348 271 W HN -0.108 nan 8.180 nan 0.000 0.498 272 L N 6.728 127.569 121.223 -0.636 0.000 2.445 272 L HA 0.538 4.881 4.340 0.004 0.000 0.262 272 L C -0.383 175.992 176.870 -0.825 0.000 0.974 272 L CA -1.021 53.495 54.840 -0.539 0.000 0.822 272 L CB 2.699 44.688 42.059 -0.116 0.000 1.339 272 L HN 0.300 nan 8.230 nan 0.000 0.409 273 I N 2.779 122.998 120.570 -0.586 0.000 2.404 273 I HA 0.428 4.600 4.170 0.004 0.000 0.293 273 I C -0.550 175.355 176.117 -0.352 0.000 0.992 273 I CA -0.995 60.018 61.300 -0.478 0.000 1.149 273 I CB 2.044 39.860 38.000 -0.306 0.000 1.315 273 I HN 0.139 nan 8.210 nan 0.000 0.446 274 V N 4.914 124.480 119.914 -0.580 0.000 2.370 274 V HA 0.302 4.424 4.120 0.004 0.000 0.279 274 V C -0.183 175.590 176.094 -0.535 0.000 1.029 274 V CA -0.536 61.312 62.300 -0.753 0.000 0.870 274 V CB 1.304 32.426 31.823 -1.168 0.000 0.984 274 V HN 0.647 nan 8.190 nan 0.000 0.451 275 N N 3.542 122.026 118.700 -0.360 0.000 2.476 275 N HA 0.650 5.392 4.740 0.004 0.000 0.257 275 N C -0.089 175.167 175.510 -0.424 0.000 0.970 275 N CA 0.023 52.872 53.050 -0.336 0.000 0.938 275 N CB 1.754 40.154 38.487 -0.144 0.000 1.144 275 N HN 0.853 nan 8.380 nan 0.000 0.500 276 G N 0.889 109.195 108.800 -0.823 0.000 2.481 276 G HA2 0.400 4.362 3.960 0.004 0.000 0.315 276 G HA3 0.400 4.362 3.960 0.004 0.000 0.315 276 G C -0.071 174.542 174.900 -0.479 0.000 1.231 276 G CA -0.494 44.149 45.100 -0.762 0.000 0.968 276 G HN 0.762 nan 8.290 nan 0.000 0.482 277 C N -0.089 119.142 119.300 -0.115 0.000 4.114 277 C HA -0.084 4.378 4.460 0.004 0.000 0.300 277 C C 1.629 176.590 174.990 -0.049 0.000 1.423 277 C CA -0.230 58.784 59.018 -0.006 0.000 2.034 277 C CB -2.727 25.083 27.740 0.117 0.000 1.299 277 C HN 1.307 nan 8.230 nan 0.000 0.727 278 A N -0.133 122.639 122.820 -0.080 0.000 2.540 278 A HA 0.450 4.772 4.320 0.004 0.000 0.239 278 A C 1.572 179.137 177.584 -0.031 0.000 1.061 278 A CA 1.216 53.212 52.037 -0.067 0.000 0.758 278 A CB -0.050 18.916 19.000 -0.056 0.000 0.991 278 A HN 2.424 nan 8.150 nan 0.000 0.502 279 G N 1.323 110.110 108.800 -0.022 0.000 2.199 279 G HA2 -0.172 3.790 3.960 0.004 0.000 0.254 279 G HA3 -0.172 3.790 3.960 0.004 0.000 0.254 279 G C 0.539 175.441 174.900 0.003 0.000 0.982 279 G CA 1.240 46.339 45.100 -0.001 0.000 0.632 279 G HN 2.160 nan 8.290 nan 0.000 0.529 280 T N -2.043 112.511 114.554 0.000 0.000 2.949 280 T HA 0.686 5.038 4.350 0.004 0.000 0.287 280 T C 1.671 176.376 174.700 0.008 0.000 1.034 280 T CA 0.799 62.903 62.100 0.007 0.000 1.018 280 T CB 1.536 70.412 68.868 0.012 0.000 1.135 280 T HN 1.089 nan 8.240 nan 0.000 0.532 281 S N -0.138 115.567 115.700 0.009 0.000 2.442 281 S HA -0.142 4.330 4.470 0.004 0.000 0.236 281 S C 1.051 175.666 174.600 0.024 0.000 1.007 281 S CA 1.031 59.236 58.200 0.009 0.000 0.965 281 S CB -0.871 62.331 63.200 0.004 0.000 0.773 281 S HN 0.935 nan 8.310 nan 0.000 0.504 282 E N 0.700 120.922 120.200 0.037 0.000 2.405 282 E HA 0.257 4.610 4.350 0.004 0.000 0.214 282 E C 0.084 176.760 176.600 0.126 0.000 1.101 282 E CA -0.570 55.871 56.400 0.069 0.000 1.254 282 E CB -0.146 29.585 29.700 0.051 0.000 1.240 282 E HN 0.518 nan 8.360 nan 0.000 0.439 283 Q N 1.637 121.486 119.800 0.080 0.000 2.330 283 Q HA 0.067 4.409 4.340 0.004 0.000 0.279 283 Q C -1.145 174.939 176.000 0.140 0.000 1.024 283 Q CA -0.003 55.829 55.803 0.049 0.000 0.900 283 Q CB 0.387 29.113 28.738 -0.020 0.000 1.221 283 Q HN 0.497 nan 8.270 nan 0.000 0.396 284 Y N -0.608 119.712 120.300 0.033 0.000 2.492 284 Y HA 0.721 5.273 4.550 0.004 0.000 0.346 284 Y C -1.183 174.744 175.900 0.046 0.000 0.997 284 Y CA -1.027 57.135 58.100 0.103 0.000 1.025 284 Y CB 1.739 40.315 38.460 0.192 0.000 1.263 284 Y HN 0.330 nan 8.280 nan 0.000 0.454 285 S N 2.913 118.643 115.700 0.050 0.000 2.571 285 S HA 0.577 5.050 4.470 0.004 0.000 0.284 285 S C -1.820 172.813 174.600 0.055 0.000 1.128 285 S CA -0.845 57.294 58.200 -0.101 0.000 0.970 285 S CB 0.903 63.984 63.200 -0.197 0.000 1.039 285 S HN 0.777 nan 8.310 nan 0.000 0.485 286 Y N -0.394 119.931 120.300 0.040 0.000 2.492 286 Y HA 0.874 5.427 4.550 0.004 0.000 0.346 286 Y C 0.009 175.913 175.900 0.005 0.000 0.997 286 Y CA -1.246 56.917 58.100 0.106 0.000 1.025 286 Y CB 0.609 39.242 38.460 0.288 0.000 1.263 286 Y HN 0.657 nan 8.280 nan 0.000 0.454 287 G N 1.580 110.465 108.800 0.142 0.000 2.448 287 G HA2 0.382 4.345 3.960 0.004 0.000 0.285 287 G HA3 0.382 4.345 3.960 0.004 0.000 0.285 287 G C -2.214 172.797 174.900 0.186 0.000 1.176 287 G CA -0.530 44.441 45.100 -0.215 0.000 0.852 287 G HN 0.791 nan 8.290 nan 0.000 0.530 288 W N 3.006 124.152 121.300 -0.256 0.000 2.884 288 W HA 0.629 5.291 4.660 0.004 0.000 0.336 288 W C -2.561 174.017 176.519 0.099 0.000 1.038 288 W CA -2.594 54.800 57.345 0.082 0.000 1.247 288 W CB 1.424 31.031 29.460 0.246 0.000 1.351 288 W HN 0.288 nan 8.180 nan 0.000 0.446 289 F N 8.592 128.738 119.950 0.326 0.000 2.553 289 F HA 0.470 4.999 4.527 0.004 0.000 0.335 289 F C -1.006 174.879 175.800 0.143 0.000 1.148 289 F CA -1.355 56.780 58.000 0.225 0.000 0.963 289 F CB 1.246 40.375 39.000 0.215 0.000 1.217 289 F HN 0.233 nan 8.300 nan 0.000 0.441 290 M N 5.868 125.221 119.600 -0.412 0.000 2.094 290 M HA 0.256 4.739 4.480 0.004 0.000 0.348 290 M C -0.780 175.022 176.300 -0.830 0.000 1.267 290 M CA -0.295 54.684 55.300 -0.536 0.000 1.125 290 M CB 0.134 32.520 32.600 -0.356 0.000 1.527 290 M HN 0.598 nan 8.290 nan 0.000 0.447 291 D N 4.872 124.698 120.400 -0.957 0.000 2.348 291 D HA 0.160 4.802 4.640 0.004 0.000 0.259 291 D C -1.165 175.000 176.300 -0.225 0.000 1.296 291 D CA 0.794 54.408 54.000 -0.643 0.000 0.931 291 D CB 0.245 40.894 40.800 -0.252 0.000 1.067 291 D HN 0.617 nan 8.370 nan 0.000 0.503 292 N N 3.132 121.772 118.700 -0.099 0.000 2.554 292 N HA 0.040 4.782 4.740 0.004 0.000 0.271 292 N C -0.001 175.367 175.510 -0.235 0.000 1.081 292 N CA -0.425 52.538 53.050 -0.144 0.000 0.994 292 N CB 1.691 40.093 38.487 -0.142 0.000 1.641 292 N HN 0.072 nan 8.380 nan 0.000 0.511 293 V N 0.450 120.155 119.914 -0.348 0.000 3.621 293 V HA 0.277 4.400 4.120 0.004 0.000 0.285 293 V C 1.191 177.116 176.094 -0.281 0.000 1.346 293 V CA 0.322 62.315 62.300 -0.511 0.000 1.104 293 V CB -0.347 31.112 31.823 -0.606 0.000 0.913 293 V HN 0.572 nan 8.190 nan 0.000 0.432 294 S N 0.059 115.669 115.700 -0.149 0.000 2.652 294 S HA 0.259 4.732 4.470 0.004 0.000 0.267 294 S C 0.228 174.800 174.600 -0.045 0.000 1.201 294 S CA -0.317 57.858 58.200 -0.042 0.000 0.996 294 S CB 0.594 63.858 63.200 0.106 0.000 1.054 294 S HN 0.576 nan 8.310 nan 0.000 0.561 295 Q N 1.213 121.028 119.800 0.025 0.000 2.263 295 Q HA 0.225 4.567 4.340 0.004 0.000 0.270 295 Q C -0.367 175.439 176.000 -0.324 0.000 1.104 295 Q CA -0.326 55.423 55.803 -0.091 0.000 0.909 295 Q CB 0.074 28.777 28.738 -0.059 0.000 1.214 295 Q HN 0.765 nan 8.270 nan 0.000 0.400 296 S N 3.512 118.970 115.700 -0.404 0.000 2.722 296 S HA 0.651 5.123 4.470 0.004 0.000 0.292 296 S C -1.010 173.133 174.600 -0.762 0.000 1.135 296 S CA -0.654 57.306 58.200 -0.400 0.000 1.003 296 S CB 0.901 63.990 63.200 -0.185 0.000 1.067 296 S HN 0.540 nan 8.310 nan 0.000 0.546 297 Y N -0.757 119.358 120.300 -0.307 0.000 2.553 297 Y HA 0.652 5.204 4.550 0.003 0.000 0.347 297 Y C -0.498 175.264 175.900 -0.229 0.000 1.019 297 Y CA -1.196 56.717 58.100 -0.313 0.000 1.032 297 Y CB 2.146 40.285 38.460 -0.534 0.000 1.284 297 Y HN 0.559 nan 8.280 nan 0.000 0.466 298 M N 2.888 122.436 119.600 -0.087 0.000 2.122 298 M HA 0.282 4.764 4.480 0.004 0.000 0.269 298 M C -1.360 174.738 176.300 -0.337 0.000 0.954 298 M CA -0.361 54.792 55.300 -0.245 0.000 0.998 298 M CB 1.608 34.076 32.600 -0.219 0.000 1.755 298 M HN 0.497 nan 8.290 nan 0.000 0.459 299 N N 2.107 120.415 118.700 -0.654 0.000 2.476 299 N HA 0.312 5.054 4.740 0.004 0.000 0.257 299 N C -0.209 174.912 175.510 -0.649 0.000 0.970 299 N CA -0.043 52.555 53.050 -0.753 0.000 0.938 299 N CB 1.612 39.233 38.487 -1.444 0.000 1.144 299 N HN 0.762 nan 8.380 nan 0.000 0.500 300 T N -0.038 114.177 114.554 -0.565 0.000 3.287 300 T HA 0.356 4.708 4.350 0.004 0.000 0.253 300 T C 0.877 175.209 174.700 -0.614 0.000 0.975 300 T CA -0.036 61.580 62.100 -0.808 0.000 0.912 300 T CB -0.370 67.885 68.868 -1.022 0.000 1.071 300 T HN 0.610 nan 8.240 nan 0.000 0.578 301 G N 0.880 109.446 108.800 -0.390 0.000 2.327 301 G HA2 -0.122 3.840 3.960 0.004 0.000 0.159 301 G HA3 -0.122 3.840 3.960 0.004 0.000 0.159 301 G C -0.644 174.152 174.900 -0.174 0.000 1.056 301 G CA -0.508 44.453 45.100 -0.232 0.000 0.751 301 G HN 0.598 nan 8.290 nan 0.000 0.488 302 D N 0.636 120.942 120.400 -0.156 0.000 2.274 302 D HA 0.549 5.191 4.640 0.004 0.000 0.239 302 D C 1.815 178.101 176.300 -0.023 0.000 1.104 302 D CA 0.390 54.329 54.000 -0.102 0.000 0.840 302 D CB 1.211 41.961 40.800 -0.085 0.000 1.100 302 D HN 0.221 nan 8.370 nan 0.000 0.477 303 T N -0.203 114.327 114.554 -0.040 0.000 3.113 303 T HA 0.024 4.376 4.350 0.004 0.000 0.256 303 T C 0.712 175.387 174.700 -0.042 0.000 1.131 303 T CA -0.026 62.060 62.100 -0.022 0.000 1.074 303 T CB -0.312 68.533 68.868 -0.038 0.000 0.944 303 T HN 0.263 nan 8.240 nan 0.000 0.516 304 T N 2.965 117.456 114.554 -0.106 0.000 2.902 304 T HA 0.060 4.412 4.350 0.004 0.000 0.301 304 T C 0.076 174.713 174.700 -0.105 0.000 1.012 304 T CA -0.126 61.760 62.100 -0.357 0.000 1.151 304 T CB -0.217 68.223 68.868 -0.714 0.000 0.946 304 T HN 0.594 nan 8.240 nan 0.000 0.542 305 W N 1.626 122.977 121.300 0.086 0.000 4.551 305 W HA -0.281 4.381 4.660 0.003 0.000 0.343 305 W C 0.449 177.012 176.519 0.075 0.000 1.269 305 W CA 0.082 57.483 57.345 0.093 0.000 0.799 305 W CB -2.808 26.753 29.460 0.169 0.000 2.352 305 W HN 0.959 nan 8.180 nan 0.000 1.462 306 N N -0.682 118.124 118.700 0.177 0.000 2.716 306 N HA -0.232 4.510 4.740 0.004 0.000 0.250 306 N C 1.205 176.805 175.510 0.150 0.000 1.033 306 N CA 1.593 54.715 53.050 0.119 0.000 0.727 306 N CB -1.003 37.527 38.487 0.072 0.000 0.950 306 N HN 0.532 nan 8.380 nan 0.000 0.541 307 S N -1.798 114.042 115.700 0.234 0.000 2.355 307 S HA 0.127 4.599 4.470 0.004 0.000 0.222 307 S C 1.182 175.966 174.600 0.307 0.000 1.031 307 S CA 1.028 59.399 58.200 0.284 0.000 0.993 307 S CB 0.424 63.853 63.200 0.382 0.000 0.859 307 S HN 0.601 nan 8.310 nan 0.000 0.453 308 G N -0.479 108.459 108.800 0.229 0.000 2.815 308 G HA2 0.639 4.601 3.960 0.004 0.000 0.305 308 G HA3 0.639 4.601 3.960 0.004 0.000 0.305 308 G C -1.979 172.974 174.900 0.088 0.000 1.277 308 G CA -0.873 44.371 45.100 0.241 0.000 0.795 308 G HN 0.280 nan 8.290 nan 0.000 0.528 309 Q N -0.673 119.161 119.800 0.058 0.000 2.397 309 Q HA 0.314 4.657 4.340 0.004 0.000 0.275 309 Q C 0.341 176.327 176.000 -0.023 0.000 1.090 309 Q CA -0.690 55.117 55.803 0.008 0.000 0.809 309 Q CB 3.155 31.895 28.738 0.004 0.000 1.362 309 Q HN 0.666 nan 8.270 nan 0.000 0.431 310 E N 0.793 120.972 120.200 -0.035 0.000 2.097 310 E HA -0.214 4.139 4.350 0.004 0.000 0.196 310 E C 0.017 176.586 176.600 -0.051 0.000 1.000 310 E CA 1.276 57.646 56.400 -0.050 0.000 0.804 310 E CB 0.223 29.901 29.700 -0.037 0.000 0.740 310 E HN 0.512 nan 8.360 nan 0.000 0.454 311 D N -0.238 120.134 120.400 -0.045 0.000 2.358 311 D HA 0.147 4.789 4.640 0.004 0.000 0.224 311 D C -0.167 176.089 176.300 -0.075 0.000 1.123 311 D CA 0.301 54.260 54.000 -0.068 0.000 0.833 311 D CB 0.255 41.007 40.800 -0.079 0.000 0.946 311 D HN 0.063 nan 8.370 nan 0.000 0.505 312 L N 0.395 121.600 121.223 -0.030 0.000 2.386 312 L HA 0.681 5.023 4.340 0.004 0.000 0.271 312 L C -0.379 176.517 176.870 0.043 0.000 0.993 312 L CA -1.071 53.788 54.840 0.030 0.000 0.819 312 L CB 2.222 44.324 42.059 0.072 0.000 1.294 312 L HN -0.206 nan 8.230 nan 0.000 0.414 313 A N 2.633 125.541 122.820 0.146 0.000 2.331 313 A HA 0.809 5.132 4.320 0.004 0.000 0.320 313 A C -1.387 176.452 177.584 0.424 0.000 1.138 313 A CA -0.367 51.762 52.037 0.153 0.000 0.790 313 A CB 0.982 20.175 19.000 0.322 0.000 1.206 313 A HN 0.646 nan 8.150 nan 0.000 0.470 314 Y N -0.334 120.091 120.300 0.208 0.000 2.609 314 Y HA 0.871 5.423 4.550 0.004 0.000 0.342 314 Y C -0.881 175.003 175.900 -0.027 0.000 1.058 314 Y CA -1.821 56.438 58.100 0.265 0.000 1.055 314 Y CB 1.465 40.042 38.460 0.196 0.000 1.292 314 Y HN 0.529 nan 8.280 nan 0.000 0.476 315 M N 1.675 121.430 119.600 0.258 0.000 2.501 315 M HA 0.743 5.225 4.480 0.004 0.000 0.293 315 M C -0.601 175.887 176.300 0.314 0.000 1.192 315 M CA -0.664 54.649 55.300 0.022 0.000 0.886 315 M CB 2.825 35.129 32.600 -0.494 0.000 1.710 315 M HN 1.126 nan 8.290 nan 0.000 0.457 316 G N 1.004 109.962 108.800 0.263 0.000 2.559 316 G HA2 0.866 4.829 3.960 0.004 0.000 0.291 316 G HA3 0.866 4.829 3.960 0.004 0.000 0.291 316 G C -2.434 172.586 174.900 0.200 0.000 1.424 316 G CA -0.460 44.850 45.100 0.349 0.000 0.786 316 G HN 0.905 nan 8.290 nan 0.000 0.485 317 A N -0.752 122.234 122.820 0.277 0.000 2.572 317 A HA 0.676 4.998 4.320 0.004 0.000 0.295 317 A C 0.534 178.279 177.584 0.268 0.000 1.072 317 A CA -0.338 51.802 52.037 0.171 0.000 0.691 317 A CB 1.712 20.748 19.000 0.060 0.000 1.291 317 A HN 0.440 nan 8.150 nan 0.000 0.404 318 Q N -0.461 119.480 119.800 0.235 0.000 2.297 318 Q HA -0.068 4.274 4.340 0.004 0.000 0.208 318 Q C -0.725 175.184 176.000 -0.152 0.000 0.981 318 Q CA 1.746 57.636 55.803 0.145 0.000 0.876 318 Q CB -0.231 28.642 28.738 0.224 0.000 0.921 318 Q HN 0.654 nan 8.270 nan 0.000 0.446 319 Y N -1.936 118.413 120.300 0.081 0.000 2.588 319 Y HA 0.499 5.051 4.550 0.003 0.000 0.343 319 Y C 0.719 176.624 175.900 0.009 0.000 1.065 319 Y CA -0.920 57.207 58.100 0.044 0.000 1.038 319 Y CB 1.245 39.738 38.460 0.054 0.000 1.297 319 Y HN -0.085 nan 8.280 nan 0.000 0.467 320 G N 1.455 110.340 108.800 0.143 0.000 2.667 320 G HA2 0.474 4.436 3.960 0.004 0.000 0.250 320 G HA3 0.474 4.436 3.960 0.004 0.000 0.250 320 G C -2.748 172.176 174.900 0.039 0.000 1.212 320 G CA -0.804 44.305 45.100 0.015 0.000 0.874 320 G HN 0.320 nan 8.290 nan 0.000 0.561 321 P HA 0.429 nan 4.420 nan 0.000 0.292 321 P C -1.201 176.025 177.300 -0.123 0.000 1.304 321 P CA -0.982 62.058 63.100 -0.100 0.000 0.848 321 P CB 0.978 32.638 31.700 -0.066 0.000 1.260 322 F N 0.989 120.700 119.950 -0.398 0.000 2.420 322 F HA 0.433 4.962 4.527 0.004 0.000 0.352 322 F C -0.091 175.614 175.800 -0.159 0.000 1.108 322 F CA 0.664 58.456 58.000 -0.347 0.000 1.162 322 F CB 0.407 38.930 39.000 -0.795 0.000 1.118 322 F HN 0.095 nan 8.300 nan 0.000 0.510 323 D N 5.321 125.603 120.400 -0.197 0.000 2.419 323 D HA 0.131 4.773 4.640 0.004 0.000 0.219 323 D C -1.592 174.590 176.300 -0.197 0.000 1.349 323 D CA -0.311 53.658 54.000 -0.052 0.000 0.964 323 D CB 1.163 41.965 40.800 0.003 0.000 1.463 323 D HN 0.640 nan 8.370 nan 0.000 0.573 324 Q N 2.203 121.906 119.800 -0.162 0.000 2.375 324 Q HA 0.530 4.872 4.340 0.004 0.000 0.271 324 Q C -1.456 174.270 176.000 -0.457 0.000 1.074 324 Q CA -0.677 54.948 55.803 -0.298 0.000 0.808 324 Q CB 1.569 30.181 28.738 -0.211 0.000 1.327 324 Q HN 0.445 nan 8.270 nan 0.000 0.441 325 H N 1.992 120.875 119.070 -0.312 0.000 2.547 325 H HA 0.424 4.983 4.556 0.004 0.000 0.342 325 H C -1.445 173.727 175.328 -0.260 0.000 1.048 325 H CA -0.293 55.682 56.048 -0.122 0.000 1.204 325 H CB 0.855 30.822 29.762 0.341 0.000 1.493 325 H HN 0.421 nan 8.280 nan 0.000 0.511 326 F N 2.804 122.801 119.950 0.079 0.000 2.375 326 F HA 0.389 4.918 4.527 0.004 0.000 0.361 326 F C -0.421 175.452 175.800 0.122 0.000 1.117 326 F CA -0.895 57.095 58.000 -0.017 0.000 1.037 326 F CB 1.090 39.786 39.000 -0.506 0.000 1.192 326 F HN 0.200 nan 8.300 nan 0.000 0.452 327 V N 4.747 124.919 119.914 0.430 0.000 2.326 327 V HA 0.113 4.236 4.120 0.004 0.000 0.281 327 V C 0.138 176.485 176.094 0.422 0.000 1.015 327 V CA -0.609 61.943 62.300 0.421 0.000 0.823 327 V CB 0.820 32.907 31.823 0.440 0.000 1.009 327 V HN 0.806 nan 8.190 nan 0.000 0.436 328 Y N 4.426 124.898 120.300 0.288 0.000 2.436 328 Y HA 0.508 5.060 4.550 0.004 0.000 0.288 328 Y C 1.315 177.336 175.900 0.201 0.000 1.112 328 Y CA 0.994 59.245 58.100 0.252 0.000 1.220 328 Y CB 0.334 38.913 38.460 0.199 0.000 1.073 328 Y HN 0.805 nan 8.280 nan 0.000 0.552 329 G N -0.067 108.883 108.800 0.251 0.000 2.705 329 G HA2 -0.051 3.912 3.960 0.004 0.000 0.686 329 G HA3 -0.051 3.912 3.960 0.004 0.000 0.686 329 G C 0.548 175.530 174.900 0.136 0.000 1.285 329 G CA -0.380 44.804 45.100 0.140 0.000 0.800 329 G HN 0.819 nan 8.290 nan 0.000 0.611 330 A N 0.860 123.754 122.820 0.123 0.000 1.897 330 A HA 0.493 4.815 4.320 0.004 0.000 0.215 330 A C 2.169 179.799 177.584 0.078 0.000 1.181 330 A CA 2.521 54.627 52.037 0.115 0.000 0.620 330 A CB -0.664 18.399 19.000 0.104 0.000 0.821 330 A HN 2.361 nan 8.150 nan 0.000 0.443 331 G N -1.409 107.409 108.800 0.030 0.000 2.582 331 G HA2 0.459 4.421 3.960 0.004 0.000 0.232 331 G HA3 0.459 4.421 3.960 0.004 0.000 0.232 331 G C 0.196 175.081 174.900 -0.024 0.000 1.458 331 G CA -0.013 45.091 45.100 0.006 0.000 1.062 331 G HN 0.891 nan 8.290 nan 0.000 0.566 332 G N -1.674 107.101 108.800 -0.041 0.000 2.557 332 G HA2 0.700 4.663 3.960 0.004 0.000 0.310 332 G HA3 0.700 4.663 3.960 0.004 0.000 0.310 332 G C -0.114 174.734 174.900 -0.086 0.000 1.328 332 G CA 0.446 45.510 45.100 -0.059 0.000 0.945 332 G HN 1.765 nan 8.290 nan 0.000 0.494 333 G N 1.249 109.981 108.800 -0.113 0.000 2.357 333 G HA2 -0.006 3.956 3.960 0.004 0.000 0.643 333 G HA3 -0.006 3.956 3.960 0.004 0.000 0.643 333 G C 0.755 175.590 174.900 -0.107 0.000 1.358 333 G CA -0.153 44.883 45.100 -0.107 0.000 0.986 333 G HN 0.626 nan 8.290 nan 0.000 0.620 334 M N -0.059 119.477 119.600 -0.107 0.000 2.159 334 M HA 0.021 4.503 4.480 0.004 0.000 0.263 334 M C 1.603 177.895 176.300 -0.012 0.000 1.063 334 M CA 1.432 56.671 55.300 -0.101 0.000 1.110 334 M CB -0.174 32.320 32.600 -0.178 0.000 1.374 334 M HN 0.693 nan 8.290 nan 0.000 0.411 338 V N 1.668 121.733 119.914 0.252 0.000 2.343 338 V HA -0.228 3.894 4.120 0.004 0.000 0.247 338 V C 2.809 178.990 176.094 0.145 0.000 1.051 338 V CA 3.136 65.582 62.300 0.244 0.000 1.036 338 V CB -0.922 30.999 31.823 0.163 0.000 0.654 338 V HN 0.816 nan 8.190 nan 0.000 0.451 339 T N -1.168 113.454 114.554 0.114 0.000 2.904 339 T HA -0.044 4.308 4.350 0.004 0.000 0.267 339 T C 1.915 176.680 174.700 0.108 0.000 1.059 339 T CA 1.308 63.456 62.100 0.079 0.000 1.137 339 T CB -0.360 68.555 68.868 0.077 0.000 0.879 339 T HN 0.439 nan 8.240 nan 0.000 0.467 340 A N 0.824 123.743 122.820 0.165 0.000 1.930 340 A HA 0.129 4.451 4.320 0.004 0.000 0.217 340 A C 2.014 179.741 177.584 0.239 0.000 1.175 340 A CA 1.187 53.345 52.037 0.203 0.000 0.627 340 A CB -1.077 18.061 19.000 0.230 0.000 0.815 340 A HN 0.482 nan 8.150 nan 0.000 0.443 341 F N 1.712 121.677 119.950 0.025 0.000 2.146 341 F HA -0.131 4.398 4.527 0.004 0.000 0.298 341 F C 2.778 178.448 175.800 -0.216 0.000 1.096 341 F CA 1.412 59.326 58.000 -0.143 0.000 1.275 341 F CB -0.679 38.086 39.000 -0.391 0.000 1.008 341 F HN 0.328 nan 8.300 nan 0.000 0.480 342 S N 0.374 115.958 115.700 -0.193 0.000 2.383 342 S HA -0.224 4.249 4.470 0.004 0.000 0.229 342 S C 2.129 176.641 174.600 -0.148 0.000 1.030 342 S CA 1.427 59.468 58.200 -0.265 0.000 1.002 342 S CB -1.076 62.018 63.200 -0.175 0.000 0.829 342 S HN 0.475 nan 8.310 nan 0.000 0.467 343 L N 0.945 122.152 121.223 -0.027 0.000 2.109 343 L HA 0.260 4.602 4.340 0.004 0.000 0.207 343 L C 2.200 179.098 176.870 0.047 0.000 1.086 343 L CA 1.392 56.258 54.840 0.042 0.000 0.760 343 L CB -0.534 41.605 42.059 0.133 0.000 0.910 343 L HN 0.346 nan 8.230 nan 0.000 0.437 344 L N -0.510 120.737 121.223 0.041 0.000 2.261 344 L HA -0.189 4.154 4.340 0.004 0.000 0.216 344 L C 2.071 178.884 176.870 -0.094 0.000 1.114 344 L CA 1.154 56.013 54.840 0.032 0.000 0.777 344 L CB -0.465 41.641 42.059 0.079 0.000 0.910 344 L HN 0.468 nan 8.230 nan 0.000 0.440 345 Q N -0.714 118.967 119.800 -0.197 0.000 2.219 345 Q HA 0.174 4.516 4.340 0.004 0.000 0.209 345 Q C 1.009 176.932 176.000 -0.128 0.000 0.854 345 Q CA -0.198 55.468 55.803 -0.229 0.000 0.960 345 Q CB 0.744 29.253 28.738 -0.381 0.000 1.116 345 Q HN 0.440 nan 8.270 nan 0.000 0.500 346 G N 0.532 109.294 108.800 -0.064 0.000 2.599 346 G HA2 0.090 4.052 3.960 0.004 0.000 0.264 346 G HA3 0.090 4.052 3.960 0.004 0.000 0.264 346 G C 0.399 175.247 174.900 -0.086 0.000 1.200 346 G CA -0.322 44.750 45.100 -0.047 0.000 0.896 346 G HN -0.015 nan 8.290 nan 0.000 0.536 347 K N -0.048 120.251 120.400 -0.168 0.000 2.514 347 K HA 0.145 4.468 4.320 0.004 0.000 0.207 347 K C 1.509 177.836 176.600 -0.454 0.000 1.035 347 K CA -0.114 55.986 56.287 -0.310 0.000 1.113 347 K CB 0.887 33.178 32.500 -0.347 0.000 0.846 347 K HN 0.551 nan 8.250 nan 0.000 0.491 348 E N 0.293 120.199 120.200 -0.491 0.000 2.130 348 E HA -0.209 4.143 4.350 0.004 0.000 0.196 348 E C 1.406 177.372 176.600 -1.056 0.000 0.998 348 E CA 1.542 57.418 56.400 -0.873 0.000 0.806 348 E CB -0.494 28.322 29.700 -1.473 0.000 0.738 348 E HN 0.490 nan 8.360 nan 0.000 0.459 349 F N 0.868 120.291 119.950 -0.878 0.000 2.333 349 F HA -0.044 4.485 4.527 0.004 0.000 0.300 349 F C 1.350 176.997 175.800 -0.254 0.000 1.083 349 F CA 0.922 58.609 58.000 -0.522 0.000 1.395 349 F CB -0.203 38.694 39.000 -0.172 0.000 1.056 349 F HN -0.067 nan 8.300 nan 0.000 0.529 350 E N 0.003 119.614 120.200 -0.981 0.000 2.489 350 E HA -0.040 4.312 4.350 0.004 0.000 0.193 350 E C -0.093 176.293 176.600 -0.357 0.000 1.057 350 E CA 0.356 56.333 56.400 -0.704 0.000 0.866 350 E CB -0.279 28.965 29.700 -0.761 0.000 0.916 350 E HN 0.393 nan 8.360 nan 0.000 0.500 351 N N 1.889 120.394 118.700 -0.325 0.000 2.776 351 N HA -0.136 4.607 4.740 0.004 0.000 0.249 351 N C -0.759 174.659 175.510 -0.153 0.000 1.111 351 N CA 0.630 53.573 53.050 -0.177 0.000 0.711 351 N CB -1.062 37.382 38.487 -0.071 0.000 1.065 351 N HN 0.270 nan 8.380 nan 0.000 0.556 352 Q N 0.554 120.224 119.800 -0.216 0.000 2.247 352 Q HA 0.033 4.375 4.340 0.004 0.000 0.288 352 Q C 1.433 177.379 176.000 -0.090 0.000 1.079 352 Q CA 0.222 55.929 55.803 -0.159 0.000 0.932 352 Q CB 1.171 29.792 28.738 -0.196 0.000 1.133 352 Q HN 0.252 nan 8.270 nan 0.000 0.377 353 V N 4.404 124.302 119.914 -0.026 0.000 2.453 353 V HA -0.196 3.926 4.120 0.004 0.000 0.247 353 V C 1.363 177.491 176.094 0.056 0.000 1.048 353 V CA 1.784 64.124 62.300 0.068 0.000 1.049 353 V CB 0.077 31.986 31.823 0.143 0.000 0.672 353 V HN 0.704 nan 8.190 nan 0.000 0.457 354 L N -0.649 120.532 121.223 -0.070 0.000 2.641 354 L HA 0.442 4.784 4.340 0.004 0.000 0.207 354 L C 1.000 177.709 176.870 -0.269 0.000 1.049 354 L CA 0.915 55.617 54.840 -0.229 0.000 0.866 354 L CB -0.205 41.629 42.059 -0.374 0.000 1.264 354 L HN 0.207 nan 8.230 nan 0.000 0.483 355 N N 0.953 119.524 118.700 -0.215 0.000 3.091 355 N HA 0.070 4.812 4.740 0.004 0.000 0.301 355 N C 0.723 176.127 175.510 -0.178 0.000 1.325 355 N CA 0.066 52.989 53.050 -0.211 0.000 1.143 355 N CB 0.375 38.767 38.487 -0.160 0.000 1.450 355 N HN 0.401 nan 8.380 nan 0.000 0.542 356 K N 0.479 120.753 120.400 -0.210 0.000 1.985 356 K HA -0.010 4.313 4.320 0.004 0.000 0.210 356 K C 1.085 177.620 176.600 -0.108 0.000 1.047 356 K CA 1.085 57.264 56.287 -0.180 0.000 0.932 356 K CB 0.247 32.633 32.500 -0.189 0.000 0.716 356 K HN 0.109 nan 8.250 nan 0.000 0.439 357 R N 0.192 120.587 120.500 -0.176 0.000 2.432 357 R HA 0.174 4.517 4.340 0.004 0.000 0.260 357 R C 0.048 176.060 176.300 -0.480 0.000 0.935 357 R CA 0.169 56.154 56.100 -0.191 0.000 1.080 357 R CB 0.715 30.887 30.300 -0.213 0.000 1.155 357 R HN 0.269 nan 8.270 nan 0.000 0.531 358 S N -1.712 113.674 115.700 -0.524 0.000 2.727 358 S HA 0.098 4.570 4.470 0.004 0.000 0.275 358 S C -0.729 173.659 174.600 -0.352 0.000 0.995 358 S CA -0.757 57.034 58.200 -0.682 0.000 0.893 358 S CB 0.492 63.377 63.200 -0.525 0.000 1.135 358 S HN 0.011 nan 8.310 nan 0.000 0.460 359 V N 0.537 120.298 119.914 -0.256 0.000 2.509 359 V HA 0.687 4.809 4.120 0.004 0.000 0.284 359 V C 0.428 176.439 176.094 -0.139 0.000 1.047 359 V CA -0.878 61.336 62.300 -0.143 0.000 0.952 359 V CB 1.123 32.920 31.823 -0.044 0.000 0.988 359 V HN 0.937 nan 8.190 nan 0.000 0.469 360 M N 6.538 126.010 119.600 -0.212 0.000 2.200 360 M HA 0.369 4.851 4.480 0.004 0.000 0.355 360 M C -2.088 174.004 176.300 -0.347 0.000 1.283 360 M CA -1.625 53.495 55.300 -0.300 0.000 1.124 360 M CB 0.866 33.253 32.600 -0.354 0.000 1.625 360 M HN 0.593 nan 8.290 nan 0.000 0.463 361 P HA 0.274 nan 4.420 nan 0.000 0.274 361 P C -2.731 174.257 177.300 -0.521 0.000 1.246 361 P CA -1.127 61.406 63.100 -0.945 0.000 0.795 361 P CB -0.614 30.295 31.700 -1.319 0.000 1.006 362 P HA 0.060 nan 4.420 nan 0.000 0.272 362 P C 0.825 177.702 177.300 -0.705 0.000 1.230 362 P CA -0.170 62.523 63.100 -0.680 0.000 0.788 362 P CB 0.679 31.673 31.700 -1.177 0.000 0.949 363 K N 2.438 122.464 120.400 -0.623 0.000 2.089 363 K HA -0.237 4.085 4.320 0.004 0.000 0.210 363 K C 2.017 178.330 176.600 -0.480 0.000 1.048 363 K CA 2.177 58.022 56.287 -0.737 0.000 0.926 363 K CB -1.615 30.419 32.500 -0.776 0.000 0.714 363 K HN 0.543 nan 8.250 nan 0.000 0.448 364 Y N -1.132 118.901 120.300 -0.445 0.000 2.333 364 Y HA -0.040 4.512 4.550 0.004 0.000 0.290 364 Y C 1.707 177.516 175.900 -0.151 0.000 1.144 364 Y CA 0.694 58.590 58.100 -0.339 0.000 1.228 364 Y CB -1.241 36.969 38.460 -0.416 0.000 0.985 364 Y HN -0.127 nan 8.280 nan 0.000 0.542 365 V N 0.158 119.940 119.914 -0.220 0.000 2.688 365 V HA -0.270 3.852 4.120 0.004 0.000 0.256 365 V C 1.371 177.418 176.094 -0.078 0.000 1.084 365 V CA 1.557 63.760 62.300 -0.161 0.000 1.103 365 V CB -1.063 30.342 31.823 -0.696 0.000 0.688 365 V HN 0.365 nan 8.190 nan 0.000 0.480 366 F N 0.512 120.497 119.950 0.058 0.000 2.692 366 F HA 0.410 4.939 4.527 0.004 0.000 0.303 366 F C 1.479 177.282 175.800 0.004 0.000 1.114 366 F CA -0.205 57.823 58.000 0.048 0.000 1.361 366 F CB -0.600 38.351 39.000 -0.082 0.000 1.063 366 F HN 0.127 nan 8.300 nan 0.000 0.550 367 G N -0.735 108.166 108.800 0.167 0.000 2.477 367 G HA2 0.304 4.266 3.960 0.004 0.000 0.304 367 G HA3 0.304 4.266 3.960 0.004 0.000 0.304 367 G C -1.227 173.848 174.900 0.292 0.000 1.175 367 G CA -0.477 44.676 45.100 0.088 0.000 0.907 367 G HN 0.042 nan 8.290 nan 0.000 0.509 368 F N 1.190 121.322 119.950 0.303 0.000 2.444 368 F HA 0.607 5.136 4.527 0.003 0.000 0.360 368 F C -0.858 174.794 175.800 -0.247 0.000 1.106 368 F CA -1.626 56.447 58.000 0.122 0.000 1.170 368 F CB 0.053 39.211 39.000 0.263 0.000 1.113 368 F HN 0.172 nan 8.300 nan 0.000 0.521 369 F N 3.932 123.343 119.950 -0.898 0.000 2.425 369 F HA 0.426 4.955 4.527 0.004 0.000 0.331 369 F C -0.078 175.150 175.800 -0.953 0.000 1.085 369 F CA -0.753 56.752 58.000 -0.824 0.000 1.028 369 F CB 1.510 40.179 39.000 -0.551 0.000 1.177 369 F HN 0.345 nan 8.300 nan 0.000 0.487 370 Q N 1.335 120.998 119.800 -0.228 0.000 2.322 370 Q HA 0.630 4.972 4.340 0.004 0.000 0.265 370 Q C -0.635 175.413 176.000 0.079 0.000 0.985 370 Q CA -0.468 55.323 55.803 -0.019 0.000 0.849 370 Q CB 1.913 30.807 28.738 0.259 0.000 1.274 370 Q HN 0.797 nan 8.270 nan 0.000 0.449 371 G N 1.319 110.176 108.800 0.095 0.000 2.448 371 G HA2 0.704 4.666 3.960 0.004 0.000 0.324 371 G HA3 0.704 4.666 3.960 0.004 0.000 0.324 371 G C -1.476 173.697 174.900 0.454 0.000 1.203 371 G CA -0.603 44.580 45.100 0.137 0.000 0.954 371 G HN 0.508 nan 8.290 nan 0.000 0.480 372 V N 1.782 121.926 119.914 0.383 0.000 2.612 372 V HA 0.322 4.444 4.120 0.004 0.000 0.301 372 V C -1.323 174.951 176.094 0.300 0.000 1.059 372 V CA -0.869 61.494 62.300 0.105 0.000 0.886 372 V CB 1.708 33.520 31.823 -0.020 0.000 1.007 372 V HN 0.699 nan 8.190 nan 0.000 0.426 373 F N 4.233 124.204 119.950 0.035 0.000 2.413 373 F HA 0.706 5.236 4.527 0.004 0.000 0.359 373 F C 0.925 176.642 175.800 -0.137 0.000 1.122 373 F CA -0.053 57.980 58.000 0.054 0.000 1.160 373 F CB 0.720 39.841 39.000 0.201 0.000 1.146 373 F HN 0.838 nan 8.300 nan 0.000 0.514 374 G N 2.901 111.609 108.800 -0.153 0.000 2.338 374 G HA2 -0.060 3.902 3.960 0.004 0.000 0.115 374 G HA3 -0.060 3.902 3.960 0.004 0.000 0.115 374 G C -0.184 174.646 174.900 -0.115 0.000 1.053 374 G CA -0.268 44.647 45.100 -0.309 0.000 0.733 374 G HN 1.000 nan 8.290 nan 0.000 0.482 375 T N -2.122 112.446 114.554 0.022 0.000 2.934 375 T HA 0.761 5.114 4.350 0.004 0.000 0.283 375 T C 1.284 176.067 174.700 0.138 0.000 1.005 375 T CA 0.590 62.742 62.100 0.087 0.000 1.041 375 T CB 1.938 70.916 68.868 0.184 0.000 1.042 375 T HN 0.909 nan 8.240 nan 0.000 0.505 376 S N -0.059 115.664 115.700 0.039 0.000 2.589 376 S HA 0.377 4.849 4.470 0.004 0.000 0.235 376 S C 0.599 175.095 174.600 -0.173 0.000 1.051 376 S CA 0.045 58.257 58.200 0.020 0.000 0.978 376 S CB -0.143 63.031 63.200 -0.044 0.000 0.929 376 S HN 1.321 nan 8.310 nan 0.000 0.523 377 S N 0.232 115.609 115.700 -0.539 0.000 2.588 377 S HA 0.616 5.088 4.470 0.004 0.000 0.269 377 S C 0.116 174.057 174.600 -1.098 0.000 1.157 377 S CA -0.730 56.879 58.200 -0.984 0.000 0.824 377 S CB 1.141 64.076 63.200 -0.442 0.000 1.126 377 S HN 0.081 nan 8.310 nan 0.000 0.464 378 L N 1.233 121.803 121.223 -1.088 0.000 1.973 378 L HA 0.416 4.758 4.340 0.004 0.000 0.208 378 L C 0.312 176.793 176.870 -0.648 0.000 1.073 378 L CA 1.668 56.043 54.840 -0.775 0.000 0.746 378 L CB -0.806 40.849 42.059 -0.673 0.000 0.891 378 L HN 0.740 nan 8.230 nan 0.000 0.433 379 L N -0.076 120.838 121.223 -0.514 0.000 2.343 379 L HA 0.295 4.637 4.340 0.004 0.000 0.275 379 L C 1.722 178.421 176.870 -0.286 0.000 1.056 379 L CA -0.551 54.047 54.840 -0.402 0.000 0.804 379 L CB 1.126 42.978 42.059 -0.344 0.000 1.203 379 L HN 0.137 nan 8.230 nan 0.000 0.440 380 R N 1.844 122.213 120.500 -0.218 0.000 2.119 380 R HA -0.222 4.120 4.340 0.004 0.000 0.246 380 R C 1.907 178.102 176.300 -0.176 0.000 1.146 380 R CA 1.765 57.769 56.100 -0.160 0.000 0.962 380 R CB -0.336 29.897 30.300 -0.112 0.000 0.863 380 R HN 0.857 nan 8.270 nan 0.000 0.442 381 A N 0.240 122.907 122.820 -0.255 0.000 2.121 381 A HA -0.115 4.207 4.320 0.004 0.000 0.218 381 A C 0.765 178.089 177.584 -0.433 0.000 1.154 381 A CA 1.111 52.938 52.037 -0.350 0.000 0.679 381 A CB -0.101 18.632 19.000 -0.445 0.000 0.795 381 A HN 0.306 nan 8.150 nan 0.000 0.458 382 H N -1.984 117.015 119.070 -0.118 0.000 2.567 382 H HA 0.303 4.861 4.556 0.004 0.000 0.267 382 H C -0.113 175.131 175.328 -0.140 0.000 1.148 382 H CA -0.460 55.517 56.048 -0.118 0.000 1.031 382 H CB -0.235 29.456 29.762 -0.120 0.000 1.691 382 H HN 0.444 nan 8.280 nan 0.000 0.588 383 M N 3.595 123.161 119.600 -0.056 0.000 2.188 383 M HA 0.203 4.686 4.480 0.004 0.000 0.354 383 M C -2.124 174.150 176.300 -0.043 0.000 1.342 383 M CA -1.335 53.916 55.300 -0.081 0.000 1.117 383 M CB 0.851 33.393 32.600 -0.097 0.000 1.670 383 M HN -0.059 nan 8.290 nan 0.000 0.466 384 P HA 0.213 nan 4.420 nan 0.000 0.275 384 P C -1.192 176.089 177.300 -0.033 0.000 1.228 384 P CA -0.391 62.690 63.100 -0.031 0.000 0.786 384 P CB 0.486 32.166 31.700 -0.034 0.000 0.927 385 A N 1.519 124.325 122.820 -0.024 0.000 2.425 385 A HA 0.585 4.908 4.320 0.004 0.000 0.242 385 A C 0.659 178.231 177.584 -0.020 0.000 1.077 385 A CA 0.616 52.642 52.037 -0.018 0.000 0.781 385 A CB -0.530 18.463 19.000 -0.012 0.000 1.020 385 A HN 0.857 nan 8.150 nan 0.000 0.494 386 G N 0.307 109.101 108.800 -0.009 0.000 2.378 386 G HA2 0.366 4.329 3.960 0.004 0.000 0.302 386 G HA3 0.366 4.329 3.960 0.004 0.000 0.302 386 G C -0.870 174.050 174.900 0.032 0.000 1.669 386 G CA -0.622 44.475 45.100 -0.005 0.000 0.920 386 G HN 0.916 nan 8.290 nan 0.000 0.697 387 E N 0.884 121.136 120.200 0.087 0.000 2.480 387 E HA 0.058 4.411 4.350 0.004 0.000 0.258 387 E C 1.161 177.903 176.600 0.237 0.000 0.984 387 E CA 0.839 57.347 56.400 0.182 0.000 0.930 387 E CB 0.129 30.012 29.700 0.305 0.000 0.936 387 E HN 0.716 nan 8.360 nan 0.000 0.466 388 N N 3.002 121.804 118.700 0.171 0.000 2.778 388 N HA -0.240 4.502 4.740 0.004 0.000 0.249 388 N C -0.910 174.661 175.510 0.102 0.000 1.069 388 N CA 0.988 54.136 53.050 0.163 0.000 0.831 388 N CB -0.954 37.701 38.487 0.280 0.000 1.142 388 N HN 0.488 nan 8.380 nan 0.000 0.573 389 N N 0.583 119.312 118.700 0.047 0.000 2.345 389 N HA 0.260 5.003 4.740 0.004 0.000 0.243 389 N C -0.080 175.432 175.510 0.003 0.000 1.246 389 N CA 0.582 53.630 53.050 -0.004 0.000 0.863 389 N CB 0.409 38.878 38.487 -0.029 0.000 1.096 389 N HN 0.480 nan 8.380 nan 0.000 0.446 390 I N -0.164 120.400 120.570 -0.009 0.000 2.769 390 I HA 0.325 4.498 4.170 0.004 0.000 0.298 390 I C -0.415 175.679 176.117 -0.039 0.000 1.128 390 I CA -0.543 60.755 61.300 -0.003 0.000 1.031 390 I CB 1.537 39.565 38.000 0.046 0.000 1.235 390 I HN 0.605 nan 8.210 nan 0.000 0.423 391 S N 4.372 120.032 115.700 -0.065 0.000 2.690 391 S HA 0.402 4.874 4.470 0.004 0.000 0.291 391 S C 0.828 175.371 174.600 -0.095 0.000 1.138 391 S CA -0.730 57.385 58.200 -0.141 0.000 1.013 391 S CB 1.872 64.955 63.200 -0.194 0.000 1.053 391 S HN 0.462 nan 8.310 nan 0.000 0.539 392 V N 1.384 121.203 119.914 -0.159 0.000 2.255 392 V HA -0.195 3.927 4.120 0.004 0.000 0.247 392 V C 2.773 178.839 176.094 -0.046 0.000 1.051 392 V CA 2.511 64.772 62.300 -0.065 0.000 1.018 392 V CB -1.240 30.511 31.823 -0.121 0.000 0.641 392 V HN 1.094 nan 8.190 nan 0.000 0.445 393 E N 0.016 120.084 120.200 -0.220 0.000 2.113 393 E HA -0.364 3.989 4.350 0.004 0.000 0.210 393 E C 2.242 178.872 176.600 0.049 0.000 1.040 393 E CA 2.364 58.722 56.400 -0.070 0.000 0.847 393 E CB -0.269 29.336 29.700 -0.159 0.000 0.755 393 E HN 0.716 nan 8.360 nan 0.000 0.459 394 E N -0.176 120.019 120.200 -0.007 0.000 2.077 394 E HA -0.214 4.138 4.350 0.004 0.000 0.193 394 E C 2.172 178.765 176.600 -0.012 0.000 0.989 394 E CA 1.408 57.803 56.400 -0.009 0.000 0.800 394 E CB -0.139 29.562 29.700 0.002 0.000 0.746 394 E HN 0.371 nan 8.360 nan 0.000 0.452 395 I N 0.320 120.939 120.570 0.082 0.000 2.127 395 I HA -0.302 3.870 4.170 0.004 0.000 0.241 395 I C 2.404 178.539 176.117 0.030 0.000 1.075 395 I CA 0.950 62.339 61.300 0.149 0.000 1.334 395 I CB -0.249 37.912 38.000 0.268 0.000 1.040 395 I HN 0.048 nan 8.210 nan 0.000 0.405 396 V N 0.466 120.478 119.914 0.164 0.000 2.392 396 V HA -0.294 3.828 4.120 0.004 0.000 0.249 396 V C 2.344 178.456 176.094 0.029 0.000 1.059 396 V CA 1.985 64.418 62.300 0.221 0.000 1.051 396 V CB -0.779 31.313 31.823 0.448 0.000 0.658 396 V HN 0.457 nan 8.190 nan 0.000 0.455 397 E N 0.389 120.567 120.200 -0.036 0.000 2.077 397 E HA -0.143 4.209 4.350 0.004 0.000 0.193 397 E C 2.367 178.773 176.600 -0.323 0.000 0.989 397 E CA 1.244 57.576 56.400 -0.113 0.000 0.800 397 E CB -0.514 29.137 29.700 -0.081 0.000 0.746 397 E HN 0.647 nan 8.360 nan 0.000 0.452 398 G N 0.092 108.451 108.800 -0.735 0.000 2.422 398 G HA2 -0.244 3.719 3.960 0.004 0.000 0.218 398 G HA3 -0.244 3.719 3.960 0.004 0.000 0.218 398 G C 1.091 175.355 174.900 -1.061 0.000 1.146 398 G CA 0.648 44.880 45.100 -1.447 0.000 0.769 398 G HN 0.181 nan 8.290 nan 0.000 0.547 399 Y N 0.419 120.277 120.300 -0.737 0.000 2.243 399 Y HA 0.036 4.588 4.550 0.004 0.000 0.293 399 Y C 3.138 179.009 175.900 -0.049 0.000 1.124 399 Y CA 1.273 59.172 58.100 -0.335 0.000 1.159 399 Y CB -0.320 37.702 38.460 -0.729 0.000 1.008 399 Y HN 0.216 nan 8.280 nan 0.000 0.527 400 Q N -0.220 119.623 119.800 0.071 0.000 2.020 400 Q HA -0.165 4.177 4.340 0.004 0.000 0.198 400 Q C 1.924 177.960 176.000 0.060 0.000 0.974 400 Q CA 1.251 57.118 55.803 0.106 0.000 0.829 400 Q CB -0.187 28.608 28.738 0.094 0.000 0.894 400 Q HN 0.407 nan 8.270 nan 0.000 0.433 401 N N 0.993 119.688 118.700 -0.008 0.000 2.192 401 N HA -0.128 4.614 4.740 0.004 0.000 0.188 401 N C 0.652 176.174 175.510 0.021 0.000 1.013 401 N CA 0.988 54.031 53.050 -0.013 0.000 0.863 401 N CB -0.228 38.224 38.487 -0.057 0.000 0.990 401 N HN 0.253 nan 8.380 nan 0.000 0.430 402 N N 1.174 119.918 118.700 0.073 0.000 2.279 402 N HA -0.019 4.723 4.740 0.004 0.000 0.226 402 N C -0.412 175.174 175.510 0.126 0.000 1.126 402 N CA -0.092 53.041 53.050 0.137 0.000 0.846 402 N CB -0.207 38.434 38.487 0.257 0.000 1.050 402 N HN 0.133 nan 8.380 nan 0.000 0.502 403 N N 0.753 119.515 118.700 0.104 0.000 2.686 403 N HA -0.238 4.504 4.740 0.004 0.000 0.261 403 N C -1.330 174.191 175.510 0.017 0.000 1.001 403 N CA 0.392 53.475 53.050 0.057 0.000 0.764 403 N CB -1.560 36.922 38.487 -0.010 0.000 0.898 403 N HN 0.153 nan 8.380 nan 0.000 0.544 404 F N 0.419 120.438 119.950 0.115 0.000 2.397 404 F HA 0.482 5.011 4.527 0.004 0.000 0.331 404 F C -1.474 174.376 175.800 0.084 0.000 1.090 404 F CA -1.969 56.114 58.000 0.139 0.000 1.065 404 F CB 1.197 40.388 39.000 0.317 0.000 1.184 404 F HN 0.091 nan 8.300 nan 0.000 0.499 405 P HA 0.110 nan 4.420 nan 0.000 0.276 405 P C -1.169 176.202 177.300 0.119 0.000 1.253 405 P CA 0.178 63.193 63.100 -0.142 0.000 0.766 405 P CB 0.256 31.490 31.700 -0.778 0.000 0.845 406 F N 2.967 122.897 119.950 -0.033 0.000 2.585 406 F HA 0.302 4.831 4.527 0.004 0.000 0.319 406 F C 0.895 176.645 175.800 -0.083 0.000 1.165 406 F CA -0.940 57.040 58.000 -0.033 0.000 0.949 406 F CB 2.096 41.067 39.000 -0.049 0.000 1.218 406 F HN 0.139 nan 8.300 nan 0.000 0.453 407 E N 3.121 122.891 120.200 -0.716 0.000 2.122 407 E HA 0.441 4.793 4.350 0.004 0.000 0.190 407 E C 0.887 176.858 176.600 -1.048 0.000 0.977 407 E CA 1.377 57.298 56.400 -0.798 0.000 0.820 407 E CB 0.183 29.207 29.700 -1.126 0.000 0.770 407 E HN 0.964 nan 8.360 nan 0.000 0.462 408 G N -1.422 106.415 108.800 -1.606 0.000 2.373 408 G HA2 0.190 4.152 3.960 0.004 0.000 0.250 408 G HA3 0.190 4.152 3.960 0.004 0.000 0.250 408 G C -1.644 172.934 174.900 -0.536 0.000 1.304 408 G CA -0.502 44.025 45.100 -0.955 0.000 0.948 408 G HN 0.057 nan 8.290 nan 0.000 0.474 409 L N 0.228 121.483 121.223 0.052 0.000 2.370 409 L HA 0.795 5.137 4.340 0.004 0.000 0.266 409 L C 0.289 177.248 176.870 0.148 0.000 1.002 409 L CA -0.959 53.987 54.840 0.177 0.000 0.818 409 L CB 2.405 44.599 42.059 0.224 0.000 1.325 409 L HN 1.006 nan 8.230 nan 0.000 0.418 410 A N 2.322 125.141 122.820 -0.002 0.000 2.280 410 A HA 0.629 4.952 4.320 0.004 0.000 0.320 410 A C -0.585 177.054 177.584 0.092 0.000 1.366 410 A CA -0.418 51.493 52.037 -0.210 0.000 0.938 410 A CB 0.488 18.955 19.000 -0.889 0.000 1.157 410 A HN 0.379 nan 8.150 nan 0.000 0.536 411 V N 4.336 124.387 119.914 0.228 0.000 2.348 411 V HA 0.133 4.255 4.120 0.004 0.000 0.270 411 V C 0.274 176.492 176.094 0.206 0.000 1.037 411 V CA -0.432 61.998 62.300 0.217 0.000 0.872 411 V CB 0.828 32.759 31.823 0.180 0.000 1.002 411 V HN 0.921 nan 8.190 nan 0.000 0.464 412 D N 2.743 123.257 120.400 0.191 0.000 2.414 412 D HA 0.103 4.745 4.640 0.004 0.000 0.251 412 D C 1.449 177.612 176.300 -0.227 0.000 1.252 412 D CA -0.025 53.963 54.000 -0.021 0.000 0.999 412 D CB 1.858 42.751 40.800 0.155 0.000 1.093 412 D HN 0.367 nan 8.370 nan 0.000 0.515 413 V N -0.793 118.895 119.914 -0.378 0.000 2.982 413 V HA -0.182 3.941 4.120 0.004 0.000 0.265 413 V C 1.254 177.182 176.094 -0.276 0.000 1.122 413 V CA 1.478 63.554 62.300 -0.372 0.000 1.143 413 V CB -0.492 31.023 31.823 -0.513 0.000 0.726 413 V HN 0.335 nan 8.190 nan 0.000 0.507 414 D N 1.756 122.049 120.400 -0.177 0.000 2.172 414 D HA -0.276 4.366 4.640 0.004 0.000 0.196 414 D C 2.118 178.142 176.300 -0.461 0.000 0.999 414 D CA 2.512 56.411 54.000 -0.168 0.000 0.856 414 D CB -0.290 40.508 40.800 -0.004 0.000 0.934 414 D HN 0.783 nan 8.370 nan 0.000 0.453 415 M N -0.175 118.903 119.600 -0.871 0.000 2.394 415 M HA -0.016 4.467 4.480 0.004 0.000 0.264 415 M C 0.731 176.688 176.300 -0.572 0.000 1.073 415 M CA 0.697 55.140 55.300 -1.428 0.000 1.111 415 M CB -0.018 31.760 32.600 -1.370 0.000 1.401 415 M HN -0.230 nan 8.290 nan 0.000 0.448 416 Q N 2.085 121.667 119.800 -0.364 0.000 2.454 416 Q HA 0.053 4.396 4.340 0.004 0.000 0.247 416 Q C -0.658 175.252 176.000 -0.150 0.000 1.028 416 Q CA -0.153 55.520 55.803 -0.217 0.000 0.910 416 Q CB 0.397 29.004 28.738 -0.219 0.000 1.276 416 Q HN 0.255 nan 8.270 nan 0.000 0.489 417 D N 1.541 121.874 120.400 -0.112 0.000 2.325 417 D HA -0.027 4.615 4.640 0.004 0.000 0.251 417 D C -0.305 175.912 176.300 -0.139 0.000 1.196 417 D CA -0.082 53.862 54.000 -0.093 0.000 0.866 417 D CB 0.130 40.890 40.800 -0.067 0.000 1.101 417 D HN 0.395 nan 8.370 nan 0.000 0.476 418 N N 4.541 123.175 118.700 -0.110 0.000 2.696 418 N HA -0.237 4.505 4.740 0.004 0.000 0.271 418 N C 0.413 175.833 175.510 -0.149 0.000 0.997 418 N CA 0.855 53.838 53.050 -0.112 0.000 0.801 418 N CB -0.676 37.754 38.487 -0.096 0.000 0.913 418 N HN 0.743 nan 8.380 nan 0.000 0.557 419 L N -3.527 117.607 121.223 -0.148 0.000 5.051 419 L HA -0.361 3.981 4.340 0.004 0.000 0.432 419 L C 0.550 177.301 176.870 -0.197 0.000 1.055 419 L CA 1.171 55.928 54.840 -0.138 0.000 1.095 419 L CB -1.227 40.798 42.059 -0.056 0.000 1.957 419 L HN 0.373 nan 8.230 nan 0.000 0.727 420 R N 0.674 120.981 120.500 -0.322 0.000 2.370 420 R HA 0.383 4.725 4.340 0.004 0.000 0.309 420 R C 0.170 176.312 176.300 -0.263 0.000 1.059 420 R CA -0.125 55.643 56.100 -0.553 0.000 0.981 420 R CB 1.262 30.945 30.300 -1.029 0.000 0.972 420 R HN 0.038 nan 8.270 nan 0.000 0.437 421 V N 5.196 125.061 119.914 -0.082 0.000 2.775 421 V HA 0.098 4.220 4.120 0.004 0.000 0.299 421 V C 0.265 176.307 176.094 -0.086 0.000 1.062 421 V CA 0.443 62.623 62.300 -0.200 0.000 1.063 421 V CB -0.013 31.632 31.823 -0.297 0.000 0.994 421 V HN 0.927 nan 8.190 nan 0.000 0.483 422 F N 1.565 121.439 119.950 -0.127 0.000 2.590 422 F HA -0.203 4.327 4.527 0.004 0.000 0.471 422 F C 1.024 176.791 175.800 -0.056 0.000 0.551 422 F CA 1.120 59.015 58.000 -0.174 0.000 1.228 422 F CB -2.490 36.340 39.000 -0.282 0.000 1.862 422 F HN 0.729 nan 8.300 nan 0.000 0.271 423 T N -0.864 113.755 114.554 0.108 0.000 2.881 423 T HA 0.687 5.039 4.350 0.004 0.000 0.278 423 T C 0.341 175.069 174.700 0.047 0.000 0.982 423 T CA 0.170 62.322 62.100 0.087 0.000 0.989 423 T CB 2.327 71.218 68.868 0.038 0.000 1.058 423 T HN 0.392 nan 8.240 nan 0.000 0.529 424 T N -1.223 113.395 114.554 0.107 0.000 2.924 424 T HA 0.689 5.041 4.350 0.004 0.000 0.291 424 T C -0.622 174.155 174.700 0.127 0.000 1.045 424 T CA -1.228 60.951 62.100 0.132 0.000 1.015 424 T CB 1.659 70.754 68.868 0.378 0.000 1.103 424 T HN 1.022 nan 8.240 nan 0.000 0.496 425 K N -0.026 120.454 120.400 0.132 0.000 2.238 425 K HA 0.709 5.031 4.320 0.004 0.000 0.239 425 K C 1.424 178.180 176.600 0.260 0.000 0.987 425 K CA -0.897 55.473 56.287 0.138 0.000 0.857 425 K CB 1.076 33.625 32.500 0.082 0.000 1.154 425 K HN 0.603 nan 8.250 nan 0.000 0.439 426 G N 1.235 110.107 108.800 0.119 0.000 2.442 426 G HA2 -0.275 3.687 3.960 0.004 0.000 0.219 426 G HA3 -0.275 3.687 3.960 0.004 0.000 0.219 426 G C 0.889 175.883 174.900 0.157 0.000 1.141 426 G CA 0.819 45.969 45.100 0.082 0.000 0.763 426 G HN 0.833 nan 8.290 nan 0.000 0.554 427 E N -0.411 119.853 120.200 0.107 0.000 2.333 427 E HA -0.065 4.287 4.350 0.004 0.000 0.200 427 E C 0.975 177.503 176.600 -0.121 0.000 1.010 427 E CA 0.511 56.908 56.400 -0.005 0.000 0.841 427 E CB -0.226 29.453 29.700 -0.034 0.000 0.757 427 E HN 0.578 nan 8.360 nan 0.000 0.508 428 F N -1.112 118.876 119.950 0.064 0.000 2.730 428 F HA 0.234 4.763 4.527 0.003 0.000 0.295 428 F C -0.389 175.306 175.800 -0.176 0.000 1.143 428 F CA -0.417 57.534 58.000 -0.083 0.000 1.367 428 F CB 0.298 39.207 39.000 -0.151 0.000 0.970 428 F HN -0.102 nan 8.300 nan 0.000 0.514 429 W N -0.629 120.640 121.300 -0.053 0.000 2.950 429 W HA 0.302 4.964 4.660 0.003 0.000 0.340 429 W C 1.462 177.949 176.519 -0.053 0.000 1.139 429 W CA -0.892 56.426 57.345 -0.045 0.000 1.188 429 W CB 0.909 30.363 29.460 -0.009 0.000 1.426 429 W HN -0.146 nan 8.180 nan 0.000 0.531 430 T N -1.796 112.872 114.554 0.190 0.000 2.746 430 T HA -0.127 4.225 4.350 0.004 0.000 0.267 430 T C 1.386 176.214 174.700 0.213 0.000 1.039 430 T CA 1.528 63.706 62.100 0.131 0.000 1.142 430 T CB -0.365 68.600 68.868 0.162 0.000 0.866 430 T HN 0.463 nan 8.240 nan 0.000 0.444 431 A N 1.081 124.028 122.820 0.212 0.000 2.370 431 A HA 0.399 4.721 4.320 0.004 0.000 0.238 431 A C 1.029 178.626 177.584 0.021 0.000 1.289 431 A CA 0.178 52.304 52.037 0.148 0.000 0.885 431 A CB -0.993 18.070 19.000 0.106 0.000 0.961 431 A HN 0.517 nan 8.150 nan 0.000 0.499 432 N N -0.210 118.486 118.700 -0.007 0.000 2.725 432 N HA -0.191 4.551 4.740 0.004 0.000 0.249 432 N C -0.098 175.324 175.510 -0.147 0.000 1.103 432 N CA 1.529 54.446 53.050 -0.222 0.000 0.707 432 N CB -1.175 36.835 38.487 -0.796 0.000 1.043 432 N HN 0.918 nan 8.380 nan 0.000 0.553 433 R N -2.606 117.833 120.500 -0.101 0.000 2.680 433 R HA 0.571 4.913 4.340 0.004 0.000 0.269 433 R C -1.188 174.775 176.300 -0.562 0.000 1.026 433 R CA -0.946 55.017 56.100 -0.229 0.000 0.889 433 R CB 0.769 30.952 30.300 -0.195 0.000 1.241 433 R HN -0.132 nan 8.270 nan 0.000 0.463 434 V N 2.164 121.658 119.914 -0.699 0.000 2.508 434 V HA 0.445 4.568 4.120 0.004 0.000 0.281 434 V C 0.804 176.250 176.094 -1.080 0.000 1.041 434 V CA 0.677 62.221 62.300 -1.259 0.000 1.016 434 V CB 0.848 32.334 31.823 -0.562 0.000 0.984 434 V HN 0.898 nan 8.190 nan 0.000 0.478 435 G N 2.668 110.459 108.800 -1.682 0.000 3.016 435 G HA2 0.521 4.484 3.960 0.004 0.000 0.270 435 G HA3 0.521 4.484 3.960 0.004 0.000 0.270 435 G C 0.616 175.300 174.900 -0.360 0.000 1.352 435 G CA 0.272 44.924 45.100 -0.747 0.000 1.060 435 G HN 0.686 nan 8.290 nan 0.000 0.538 436 T N -3.191 111.343 114.554 -0.033 0.000 3.105 436 T HA 0.496 4.848 4.350 0.004 0.000 0.253 436 T C 1.028 175.886 174.700 0.264 0.000 1.047 436 T CA 0.797 62.972 62.100 0.125 0.000 0.944 436 T CB -0.320 68.589 68.868 0.068 0.000 1.016 436 T HN 2.277 nan 8.240 nan 0.000 0.544 437 G N -0.256 108.775 108.800 0.385 0.000 2.663 437 G HA2 0.399 4.361 3.960 0.004 0.000 0.686 437 G HA3 0.399 4.361 3.960 0.004 0.000 0.686 437 G C 0.542 175.587 174.900 0.242 0.000 1.246 437 G CA -0.203 45.124 45.100 0.380 0.000 0.795 437 G HN 1.516 nan 8.290 nan 0.000 0.627 438 G N -0.541 108.386 108.800 0.212 0.000 2.168 438 G HA2 -0.017 3.946 3.960 0.004 0.000 0.257 438 G HA3 -0.017 3.946 3.960 0.004 0.000 0.257 438 G C 0.269 175.253 174.900 0.140 0.000 0.997 438 G CA 1.503 46.696 45.100 0.154 0.000 0.708 438 G HN 1.992 nan 8.290 nan 0.000 0.520 439 D N 0.237 120.741 120.400 0.174 0.000 2.313 439 D HA 0.474 5.116 4.640 0.004 0.000 0.239 439 D C -0.108 176.281 176.300 0.149 0.000 1.142 439 D CA -2.139 51.948 54.000 0.144 0.000 0.847 439 D CB 1.273 42.158 40.800 0.141 0.000 1.082 439 D HN 0.109 nan 8.370 nan 0.000 0.480 440 P HA -0.070 nan 4.420 nan 0.000 0.226 440 P C 0.230 177.598 177.300 0.113 0.000 1.153 440 P CA 0.545 63.708 63.100 0.106 0.000 0.777 440 P CB 0.406 32.153 31.700 0.077 0.000 0.794 441 N N -0.258 118.509 118.700 0.111 0.000 2.270 441 N HA 0.018 4.760 4.740 0.004 0.000 0.198 441 N C -0.056 175.537 175.510 0.139 0.000 1.117 441 N CA 0.346 53.461 53.050 0.108 0.000 0.845 441 N CB -0.348 38.186 38.487 0.079 0.000 0.980 441 N HN 0.140 nan 8.380 nan 0.000 0.486 442 N N 0.477 119.291 118.700 0.190 0.000 2.976 442 N HA 0.112 4.855 4.740 0.004 0.000 0.220 442 N C -1.455 174.307 175.510 0.419 0.000 1.428 442 N CA -0.286 52.927 53.050 0.272 0.000 0.748 442 N CB 0.486 39.102 38.487 0.214 0.000 1.484 442 N HN -0.125 nan 8.380 nan 0.000 0.578 443 R N 0.679 121.367 120.500 0.314 0.000 2.357 443 R HA 0.429 4.771 4.340 0.004 0.000 0.296 443 R C 0.556 176.813 176.300 -0.071 0.000 1.052 443 R CA -0.571 55.645 56.100 0.193 0.000 0.988 443 R CB 0.988 31.410 30.300 0.204 0.000 1.025 443 R HN 0.595 nan 8.270 nan 0.000 0.469 444 S N 1.228 116.527 115.700 -0.668 0.000 2.600 444 S HA -0.025 4.447 4.470 0.004 0.000 0.265 444 S C 1.385 175.602 174.600 -0.640 0.000 1.325 444 S CA -0.678 56.691 58.200 -1.385 0.000 1.002 444 S CB 1.423 63.680 63.200 -1.572 0.000 0.921 444 S HN 0.478 nan 8.310 nan 0.000 0.554 445 V N 1.712 121.191 119.914 -0.724 0.000 2.439 445 V HA -0.157 3.965 4.120 0.004 0.000 0.253 445 V C 1.607 177.523 176.094 -0.296 0.000 1.074 445 V CA 2.173 64.183 62.300 -0.483 0.000 1.076 445 V CB -1.151 30.369 31.823 -0.506 0.000 0.664 445 V HN 0.826 nan 8.190 nan 0.000 0.461 446 F N 0.612 120.469 119.950 -0.154 0.000 2.179 446 F HA 0.088 4.617 4.527 0.004 0.000 0.292 446 F C 2.407 177.988 175.800 -0.364 0.000 1.089 446 F CA 1.424 59.282 58.000 -0.238 0.000 1.295 446 F CB -1.048 37.819 39.000 -0.221 0.000 1.041 446 F HN 0.196 nan 8.300 nan 0.000 0.487 447 E N -0.740 119.447 120.200 -0.021 0.000 2.051 447 E HA -0.272 4.080 4.350 0.004 0.000 0.192 447 E C 1.993 178.663 176.600 0.117 0.000 0.991 447 E CA 1.537 57.977 56.400 0.066 0.000 0.799 447 E CB -0.548 29.210 29.700 0.097 0.000 0.748 447 E HN 0.502 nan 8.360 nan 0.000 0.449 448 W N 1.552 122.807 121.300 -0.075 0.000 2.318 448 W HA -0.279 4.384 4.660 0.004 0.000 0.313 448 W C 2.433 178.948 176.519 -0.005 0.000 1.221 448 W CA 2.354 59.677 57.345 -0.036 0.000 1.266 448 W CB -0.330 29.085 29.460 -0.075 0.000 1.150 448 W HN 0.053 nan 8.180 nan 0.000 0.496 449 A N -0.610 122.378 122.820 0.279 0.000 1.908 449 A HA -0.278 4.044 4.320 0.004 0.000 0.218 449 A C 1.645 179.249 177.584 0.033 0.000 1.181 449 A CA 2.103 54.229 52.037 0.147 0.000 0.627 449 A CB -1.438 17.685 19.000 0.205 0.000 0.818 449 A HN 0.649 nan 8.150 nan 0.000 0.445 450 H N -0.582 118.526 119.070 0.064 0.000 2.319 450 H HA -0.138 4.420 4.556 0.004 0.000 0.299 450 H C 1.515 176.815 175.328 -0.048 0.000 1.092 450 H CA 1.025 57.091 56.048 0.030 0.000 1.302 450 H CB -0.006 29.789 29.762 0.055 0.000 1.373 450 H HN 0.407 nan 8.280 nan 0.000 0.497 451 D N 0.467 120.878 120.400 0.018 0.000 2.265 451 D HA -0.102 4.540 4.640 0.004 0.000 0.208 451 D C 1.358 177.536 176.300 -0.204 0.000 0.977 451 D CA 0.978 54.912 54.000 -0.110 0.000 0.871 451 D CB -0.028 40.666 40.800 -0.176 0.000 0.925 451 D HN 0.289 nan 8.370 nan 0.000 0.485 452 K N -0.161 120.069 120.400 -0.283 0.000 2.417 452 K HA 0.176 4.498 4.320 0.004 0.000 0.196 452 K C 0.823 177.381 176.600 -0.070 0.000 1.023 452 K CA 0.224 56.361 56.287 -0.250 0.000 1.122 452 K CB 0.638 32.892 32.500 -0.411 0.000 0.850 452 K HN 0.103 nan 8.250 nan 0.000 0.521 453 G N 1.953 110.745 108.800 -0.013 0.000 2.272 453 G HA2 -0.249 3.713 3.960 0.004 0.000 0.280 453 G HA3 -0.249 3.713 3.960 0.004 0.000 0.280 453 G C -0.117 174.811 174.900 0.047 0.000 1.067 453 G CA 0.201 45.329 45.100 0.045 0.000 0.902 453 G HN 0.219 nan 8.290 nan 0.000 0.500 454 L N -1.593 119.662 121.223 0.054 0.000 2.257 454 L HA 0.921 5.263 4.340 0.004 0.000 0.257 454 L C 0.459 177.382 176.870 0.089 0.000 1.033 454 L CA -1.470 53.360 54.840 -0.017 0.000 0.835 454 L CB 2.260 44.294 42.059 -0.042 0.000 1.398 454 L HN 0.383 nan 8.230 nan 0.000 0.429 455 V N -2.778 117.130 119.914 -0.011 0.000 3.114 455 V HA 0.722 4.844 4.120 0.004 0.000 0.308 455 V C -0.884 175.300 176.094 0.150 0.000 1.168 455 V CA -0.830 61.504 62.300 0.056 0.000 1.015 455 V CB 1.587 33.246 31.823 -0.272 0.000 1.050 455 V HN 0.863 nan 8.190 nan 0.000 0.433 456 C N 2.297 121.710 119.300 0.188 0.000 2.779 456 C HA 0.852 5.314 4.460 0.004 0.000 0.314 456 C C -0.315 174.633 174.990 -0.070 0.000 1.231 456 C CA -0.518 58.617 59.018 0.196 0.000 1.652 456 C CB 1.738 29.678 27.740 0.333 0.000 2.198 456 C HN 1.137 nan 8.230 nan 0.000 0.483 457 Q N 0.497 120.067 119.800 -0.384 0.000 2.345 457 Q HA 0.762 5.105 4.340 0.004 0.000 0.268 457 Q C -1.104 174.795 176.000 -0.168 0.000 1.054 457 Q CA -0.165 55.190 55.803 -0.748 0.000 0.835 457 Q CB 2.042 29.889 28.738 -1.484 0.000 1.339 457 Q HN 0.654 nan 8.270 nan 0.000 0.447 458 T N 1.210 115.725 114.554 -0.065 0.000 2.900 458 T HA 0.251 4.604 4.350 0.004 0.000 0.295 458 T C -0.816 173.872 174.700 -0.020 0.000 1.044 458 T CA -0.756 61.402 62.100 0.097 0.000 0.995 458 T CB 1.335 70.312 68.868 0.182 0.000 1.072 458 T HN 0.701 nan 8.240 nan 0.000 0.473 459 N N 4.274 122.841 118.700 -0.221 0.000 2.468 459 N HA 0.118 4.860 4.740 0.004 0.000 0.265 459 N C -0.936 174.310 175.510 -0.441 0.000 1.199 459 N CA 0.295 52.941 53.050 -0.673 0.000 0.928 459 N CB 0.139 37.945 38.487 -1.135 0.000 1.059 459 N HN 0.483 nan 8.380 nan 0.000 0.467 460 I N 2.887 123.254 120.570 -0.338 0.000 2.500 460 I HA 0.147 4.319 4.170 0.004 0.000 0.286 460 I C 0.419 176.526 176.117 -0.016 0.000 1.063 460 I CA -0.497 60.661 61.300 -0.238 0.000 1.062 460 I CB 1.328 39.212 38.000 -0.194 0.000 1.223 460 I HN 0.490 nan 8.210 nan 0.000 0.435 461 T N 1.229 115.816 114.554 0.054 0.000 2.940 461 T HA 0.336 4.689 4.350 0.004 0.000 0.288 461 T C 0.710 175.686 174.700 0.459 0.000 1.045 461 T CA -0.695 61.575 62.100 0.283 0.000 1.018 461 T CB 1.841 70.909 68.868 0.333 0.000 1.151 461 T HN 0.712 nan 8.240 nan 0.000 0.529 462 C N 0.278 119.832 119.300 0.425 0.000 2.319 462 C HA 0.549 5.011 4.460 0.004 0.000 0.350 462 C C 0.039 175.110 174.990 0.135 0.000 1.326 462 C CA -1.245 57.958 59.018 0.309 0.000 1.737 462 C CB -2.761 25.089 27.740 0.184 0.000 1.988 462 C HN 0.615 nan 8.230 nan 0.000 0.582 463 F N 2.217 122.196 119.950 0.050 0.000 2.375 463 F HA 0.448 4.977 4.527 0.004 0.000 0.362 463 F C 0.306 176.048 175.800 -0.097 0.000 1.129 463 F CA -0.642 57.219 58.000 -0.232 0.000 1.154 463 F CB 0.778 39.682 39.000 -0.161 0.000 1.205 463 F HN 0.024 nan 8.300 nan 0.000 0.513 464 L N 4.986 126.202 121.223 -0.010 0.000 2.270 464 L HA 0.305 4.647 4.340 0.004 0.000 0.286 464 L C 0.613 177.579 176.870 0.161 0.000 1.059 464 L CA -0.291 54.677 54.840 0.213 0.000 0.839 464 L CB 0.427 42.632 42.059 0.243 0.000 1.221 464 L HN 0.594 nan 8.230 nan 0.000 0.431 465 R N 1.945 122.560 120.500 0.191 0.000 2.566 465 R HA -0.150 4.192 4.340 0.004 0.000 0.273 465 R C 0.623 176.985 176.300 0.103 0.000 0.981 465 R CA 0.558 56.683 56.100 0.043 0.000 1.091 465 R CB 0.578 30.803 30.300 -0.125 0.000 0.924 465 R HN 0.593 nan 8.270 nan 0.000 0.411 466 N N 0.758 119.471 118.700 0.022 0.000 2.419 466 N HA -0.045 4.698 4.740 0.004 0.000 0.216 466 N C -1.127 174.389 175.510 0.010 0.000 1.118 466 N CA 0.114 53.172 53.050 0.014 0.000 0.850 466 N CB 0.515 38.981 38.487 -0.036 0.000 1.292 466 N HN 0.620 nan 8.380 nan 0.000 0.467 467 D N 0.094 120.497 120.400 0.005 0.000 2.468 467 D HA 0.127 4.769 4.640 0.004 0.000 0.218 467 D C -0.305 175.996 176.300 0.001 0.000 1.155 467 D CA -0.164 53.840 54.000 0.007 0.000 0.924 467 D CB 0.282 41.093 40.800 0.019 0.000 1.029 467 D HN 0.073 nan 8.370 nan 0.000 0.515 468 N N 1.652 120.358 118.700 0.011 0.000 2.205 468 N HA -0.049 4.693 4.740 0.004 0.000 0.201 468 N C -0.249 175.264 175.510 0.004 0.000 1.128 468 N CA -0.084 52.972 53.050 0.010 0.000 0.867 468 N CB 0.322 38.840 38.487 0.053 0.000 0.996 468 N HN 0.511 nan 8.380 nan 0.000 0.503 469 E N -0.173 120.029 120.200 0.003 0.000 2.360 469 E HA -0.249 4.103 4.350 0.004 0.000 0.238 469 E C 0.751 177.352 176.600 0.001 0.000 1.186 469 E CA 0.395 56.795 56.400 -0.000 0.000 0.719 469 E CB -1.645 28.052 29.700 -0.005 0.000 1.236 469 E HN 0.506 nan 8.360 nan 0.000 0.386 470 G N -1.030 107.774 108.800 0.007 0.000 2.184 470 G HA2 -0.357 3.606 3.960 0.004 0.000 0.264 470 G HA3 -0.357 3.606 3.960 0.004 0.000 0.264 470 G C 0.147 175.054 174.900 0.012 0.000 0.975 470 G CA 0.529 45.634 45.100 0.008 0.000 0.642 470 G HN 0.237 nan 8.290 nan 0.000 0.536 471 Q N 1.112 120.921 119.800 0.015 0.000 2.259 471 Q HA 0.405 4.748 4.340 0.004 0.000 0.246 471 Q C -0.352 175.678 176.000 0.049 0.000 0.920 471 Q CA -0.368 55.447 55.803 0.020 0.000 0.895 471 Q CB 0.965 29.706 28.738 0.006 0.000 1.220 471 Q HN 0.383 nan 8.270 nan 0.000 0.439 472 D N 1.676 122.109 120.400 0.056 0.000 2.312 472 D HA 0.089 4.731 4.640 0.004 0.000 0.252 472 D C -0.773 175.626 176.300 0.165 0.000 1.150 472 D CA 0.136 54.186 54.000 0.083 0.000 0.870 472 D CB 0.508 41.338 40.800 0.051 0.000 1.153 472 D HN 0.335 nan 8.370 nan 0.000 0.457 473 Y N 3.344 123.650 120.300 0.010 0.000 2.646 473 Y HA 0.057 4.610 4.550 0.004 0.000 0.334 473 Y C 1.148 177.070 175.900 0.038 0.000 1.004 473 Y CA -0.956 57.157 58.100 0.021 0.000 1.301 473 Y CB 0.565 39.038 38.460 0.021 0.000 1.093 473 Y HN 0.329 nan 8.280 nan 0.000 0.530 474 E N 2.558 122.711 120.200 -0.079 0.000 2.130 474 E HA -0.140 4.212 4.350 0.004 0.000 0.196 474 E C 1.007 177.454 176.600 -0.256 0.000 0.998 474 E CA 1.919 58.242 56.400 -0.128 0.000 0.806 474 E CB 0.200 29.863 29.700 -0.062 0.000 0.738 474 E HN 0.567 nan 8.360 nan 0.000 0.459 475 V N 2.368 121.935 119.914 -0.578 0.000 2.427 475 V HA -0.219 3.903 4.120 0.004 0.000 0.248 475 V C 2.593 178.557 176.094 -0.217 0.000 1.051 475 V CA 1.938 63.981 62.300 -0.429 0.000 1.048 475 V CB -0.807 30.728 31.823 -0.480 0.000 0.666 475 V HN 0.396 nan 8.190 nan 0.000 0.456 476 N N -0.334 118.021 118.700 -0.576 0.000 2.354 476 N HA -0.165 4.577 4.740 0.004 0.000 0.179 476 N C 1.887 177.358 175.510 -0.065 0.000 1.021 476 N CA 0.758 53.720 53.050 -0.146 0.000 0.887 476 N CB 0.042 38.547 38.487 0.030 0.000 0.974 476 N HN 0.381 nan 8.380 nan 0.000 0.437 477 Q N 0.400 120.150 119.800 -0.084 0.000 2.311 477 Q HA -0.029 4.313 4.340 0.004 0.000 0.203 477 Q C 1.615 177.617 176.000 0.004 0.000 0.954 477 Q CA 1.260 57.046 55.803 -0.028 0.000 0.885 477 Q CB -0.062 28.663 28.738 -0.022 0.000 0.963 477 Q HN 0.606 nan 8.270 nan 0.000 0.471 478 T N -2.454 112.133 114.554 0.055 0.000 3.044 478 T HA -0.016 4.336 4.350 0.004 0.000 0.255 478 T C 1.860 176.529 174.700 -0.053 0.000 1.073 478 T CA 0.221 62.386 62.100 0.108 0.000 1.125 478 T CB -0.213 68.825 68.868 0.282 0.000 0.908 478 T HN 0.086 nan 8.240 nan 0.000 0.480 479 L N 1.311 122.464 121.223 -0.116 0.000 2.043 479 L HA 0.046 4.388 4.340 0.004 0.000 0.212 479 L C 2.774 179.582 176.870 -0.104 0.000 1.075 479 L CA 1.722 56.306 54.840 -0.427 0.000 0.752 479 L CB -0.451 41.445 42.059 -0.271 0.000 0.891 479 L HN 0.184 nan 8.230 nan 0.000 0.432 480 R N -1.227 119.272 120.500 -0.002 0.000 2.055 480 R HA -0.077 4.265 4.340 0.004 0.000 0.226 480 R C 2.241 178.599 176.300 0.096 0.000 1.135 480 R CA 1.030 57.190 56.100 0.099 0.000 0.959 480 R CB -0.362 29.926 30.300 -0.021 0.000 0.854 480 R HN 0.314 nan 8.270 nan 0.000 0.431 481 E N 0.826 121.037 120.200 0.019 0.000 2.085 481 E HA -0.181 4.171 4.350 0.004 0.000 0.194 481 E C 1.657 178.245 176.600 -0.020 0.000 0.994 481 E CA 1.317 57.721 56.400 0.007 0.000 0.801 481 E CB 0.060 29.762 29.700 0.004 0.000 0.743 481 E HN 0.208 nan 8.360 nan 0.000 0.453 482 R N 0.182 120.642 120.500 -0.067 0.000 2.320 482 R HA 0.076 4.419 4.340 0.004 0.000 0.211 482 R C 0.184 176.382 176.300 -0.170 0.000 0.931 482 R CA 0.014 56.050 56.100 -0.107 0.000 1.071 482 R CB 0.216 30.443 30.300 -0.122 0.000 1.025 482 R HN 0.160 nan 8.270 nan 0.000 0.495 483 Q N -0.114 119.582 119.800 -0.174 0.000 2.475 483 Q HA -0.210 4.133 4.340 0.004 0.000 0.280 483 Q C 0.122 175.787 176.000 -0.560 0.000 1.234 483 Q CA 0.529 56.100 55.803 -0.385 0.000 0.873 483 Q CB -1.696 26.863 28.738 -0.298 0.000 1.256 483 Q HN 0.460 nan 8.270 nan 0.000 0.475 484 L N -0.106 120.838 121.223 -0.465 0.000 2.611 484 L HA 0.088 4.430 4.340 0.004 0.000 0.229 484 L C 0.767 177.374 176.870 -0.438 0.000 1.137 484 L CA -0.066 54.491 54.840 -0.473 0.000 0.901 484 L CB -0.245 41.450 42.059 -0.605 0.000 1.098 484 L HN 0.258 nan 8.230 nan 0.000 0.456 485 Y N -2.288 117.844 120.300 -0.280 0.000 2.320 485 Y HA 0.405 4.957 4.550 0.004 0.000 0.324 485 Y C 0.777 176.596 175.900 -0.135 0.000 1.190 485 Y CA -1.465 56.507 58.100 -0.213 0.000 1.215 485 Y CB -0.215 38.159 38.460 -0.144 0.000 1.221 485 Y HN -0.205 nan 8.280 nan 0.000 0.486 486 T N 4.845 119.443 114.554 0.073 0.000 2.866 486 T HA 0.015 4.368 4.350 0.004 0.000 0.293 486 T C 0.209 175.045 174.700 0.228 0.000 1.005 486 T CA -0.042 62.093 62.100 0.057 0.000 1.162 486 T CB -0.065 68.866 68.868 0.104 0.000 0.968 486 T HN 0.559 nan 8.240 nan 0.000 0.530 487 K N 2.430 122.895 120.400 0.108 0.000 2.318 487 K HA 0.157 4.479 4.320 0.004 0.000 0.243 487 K C 1.184 177.915 176.600 0.219 0.000 1.047 487 K CA -0.675 55.729 56.287 0.194 0.000 0.937 487 K CB 0.240 32.784 32.500 0.074 0.000 1.225 487 K HN 0.593 nan 8.250 nan 0.000 0.506 488 N N 0.281 119.127 118.700 0.244 0.000 2.279 488 N HA 0.013 4.756 4.740 0.004 0.000 0.226 488 N C -0.814 174.937 175.510 0.401 0.000 1.126 488 N CA -0.065 53.196 53.050 0.352 0.000 0.846 488 N CB 0.087 38.756 38.487 0.304 0.000 1.050 488 N HN 0.268 nan 8.380 nan 0.000 0.502 489 D N 0.554 121.101 120.400 0.245 0.000 2.341 489 D HA 0.342 4.984 4.640 0.004 0.000 0.245 489 D C 0.034 176.486 176.300 0.252 0.000 1.106 489 D CA 0.186 54.300 54.000 0.191 0.000 0.905 489 D CB 1.406 42.256 40.800 0.083 0.000 1.202 489 D HN 0.417 nan 8.370 nan 0.000 0.426 490 S N -0.076 115.732 115.700 0.179 0.000 2.547 490 S HA 0.336 4.808 4.470 0.004 0.000 0.270 490 S C 0.280 174.918 174.600 0.063 0.000 1.150 490 S CA -0.822 57.462 58.200 0.141 0.000 0.850 490 S CB 0.723 64.019 63.200 0.160 0.000 1.118 490 S HN 0.291 nan 8.310 nan 0.000 0.461 491 L N 1.174 122.434 121.223 0.062 0.000 2.599 491 L HA 0.130 4.472 4.340 0.004 0.000 0.230 491 L C 2.057 178.979 176.870 0.087 0.000 1.141 491 L CA 1.013 55.907 54.840 0.091 0.000 0.877 491 L CB -0.397 41.758 42.059 0.159 0.000 1.009 491 L HN 1.019 nan 8.230 nan 0.000 0.447 492 T N -5.093 109.482 114.554 0.035 0.000 3.054 492 T HA 0.237 4.589 4.350 0.004 0.000 0.255 492 T C 1.484 176.162 174.700 -0.036 0.000 1.035 492 T CA 0.371 62.480 62.100 0.015 0.000 0.941 492 T CB 0.683 69.517 68.868 -0.057 0.000 1.026 492 T HN 0.306 nan 8.240 nan 0.000 0.533 493 G N 1.563 110.331 108.800 -0.053 0.000 2.168 493 G HA2 -0.269 3.693 3.960 0.004 0.000 0.257 493 G HA3 -0.269 3.693 3.960 0.004 0.000 0.257 493 G C 0.167 174.962 174.900 -0.174 0.000 0.997 493 G CA 0.394 45.445 45.100 -0.081 0.000 0.708 493 G HN 0.668 nan 8.290 nan 0.000 0.520 494 T N 0.991 115.370 114.554 -0.293 0.000 2.901 494 T HA 0.366 4.718 4.350 0.004 0.000 0.301 494 T C 0.046 174.287 174.700 -0.765 0.000 1.012 494 T CA 0.237 62.039 62.100 -0.496 0.000 1.135 494 T CB 1.348 69.866 68.868 -0.584 0.000 0.936 494 T HN 0.259 nan 8.240 nan 0.000 0.539 495 D N 2.399 122.472 120.400 -0.545 0.000 2.396 495 D HA 0.164 4.806 4.640 0.004 0.000 0.225 495 D C 0.098 176.154 176.300 -0.407 0.000 1.121 495 D CA -0.582 53.173 54.000 -0.407 0.000 0.853 495 D CB 0.343 41.023 40.800 -0.199 0.000 1.043 495 D HN 0.366 nan 8.370 nan 0.000 0.500 496 F N 2.228 122.112 119.950 -0.110 0.000 2.710 496 F HA 0.266 4.795 4.527 0.003 0.000 0.298 496 F C 1.754 177.430 175.800 -0.206 0.000 1.137 496 F CA 0.654 58.537 58.000 -0.194 0.000 1.444 496 F CB -0.054 38.851 39.000 -0.159 0.000 1.111 496 F HN 0.549 nan 8.300 nan 0.000 0.580 497 G N 0.478 109.276 108.800 -0.004 0.000 2.440 497 G HA2 0.277 4.239 3.960 0.004 0.000 0.684 497 G HA3 0.277 4.239 3.960 0.004 0.000 0.684 497 G C -1.591 173.276 174.900 -0.055 0.000 1.309 497 G CA -0.708 44.368 45.100 -0.040 0.000 0.931 497 G HN 0.067 nan 8.290 nan 0.000 0.612 498 M N 0.189 119.758 119.600 -0.052 0.000 2.562 498 M HA 0.759 5.242 4.480 0.004 0.000 0.281 498 M C -0.062 176.214 176.300 -0.041 0.000 1.195 498 M CA 0.206 55.478 55.300 -0.046 0.000 0.888 498 M CB 1.788 34.370 32.600 -0.029 0.000 1.731 498 M HN 1.988 nan 8.290 nan 0.000 0.493 499 T N -1.592 112.938 114.554 -0.040 0.000 2.888 499 T HA 0.577 4.929 4.350 0.004 0.000 0.288 499 T C -0.002 174.681 174.700 -0.027 0.000 1.063 499 T CA -0.626 61.456 62.100 -0.030 0.000 1.010 499 T CB 1.074 69.928 68.868 -0.025 0.000 1.214 499 T HN 0.597 nan 8.240 nan 0.000 0.533 500 D N 0.280 120.667 120.400 -0.020 0.000 2.310 500 D HA -0.048 4.595 4.640 0.004 0.000 0.212 500 D C 1.294 177.581 176.300 -0.021 0.000 0.965 500 D CA 0.790 54.779 54.000 -0.018 0.000 0.879 500 D CB -0.033 40.759 40.800 -0.013 0.000 0.921 500 D HN 0.547 nan 8.370 nan 0.000 0.510 501 D N 0.155 120.540 120.400 -0.025 0.000 2.162 501 D HA 0.029 4.672 4.640 0.004 0.000 0.203 501 D C 1.614 177.885 176.300 -0.049 0.000 0.967 501 D CA 1.183 55.166 54.000 -0.030 0.000 0.840 501 D CB 0.308 41.093 40.800 -0.026 0.000 0.972 501 D HN 0.235 nan 8.370 nan 0.000 0.482 502 G N 1.360 110.124 108.800 -0.060 0.000 2.562 502 G HA2 -0.245 3.718 3.960 0.004 0.000 0.250 502 G HA3 -0.245 3.718 3.960 0.004 0.000 0.250 502 G C -2.506 172.303 174.900 -0.152 0.000 1.269 502 G CA -0.472 44.576 45.100 -0.086 0.000 0.919 502 G HN 0.122 nan 8.290 nan 0.000 0.574 503 P HA 0.280 nan 4.420 nan 0.000 0.273 503 P C 1.219 178.467 177.300 -0.087 0.000 1.250 503 P CA 0.822 63.830 63.100 -0.152 0.000 0.793 503 P CB 0.681 32.257 31.700 -0.206 0.000 1.011 504 S N -0.404 115.279 115.700 -0.027 0.000 2.423 504 S HA -0.150 4.322 4.470 0.004 0.000 0.231 504 S C 0.985 175.605 174.600 0.033 0.000 1.014 504 S CA 1.382 59.582 58.200 -0.000 0.000 0.965 504 S CB -0.977 62.228 63.200 0.008 0.000 0.785 504 S HN 0.594 nan 8.310 nan 0.000 0.495 505 D N 1.056 121.500 120.400 0.073 0.000 2.501 505 D HA 0.483 5.125 4.640 0.004 0.000 0.226 505 D C 0.179 176.617 176.300 0.231 0.000 1.198 505 D CA -0.172 53.910 54.000 0.138 0.000 0.830 505 D CB 0.099 40.986 40.800 0.144 0.000 1.014 505 D HN 0.471 nan 8.370 nan 0.000 0.496 506 A N 0.089 122.989 122.820 0.134 0.000 2.311 506 A HA 0.515 4.837 4.320 0.004 0.000 0.334 506 A C -1.262 176.410 177.584 0.146 0.000 1.139 506 A CA -0.886 51.236 52.037 0.142 0.000 0.830 506 A CB 0.879 19.667 19.000 -0.353 0.000 1.234 506 A HN 0.257 nan 8.150 nan 0.000 0.483 507 Y N 1.535 121.902 120.300 0.111 0.000 2.393 507 Y HA 0.506 5.058 4.550 0.004 0.000 0.338 507 Y C -0.414 175.542 175.900 0.095 0.000 1.029 507 Y CA 0.070 58.221 58.100 0.084 0.000 1.239 507 Y CB 0.300 38.798 38.460 0.064 0.000 1.170 507 Y HN 0.435 nan 8.280 nan 0.000 0.515 508 I N 7.346 127.742 120.570 -0.291 0.000 2.405 508 I HA 0.379 4.551 4.170 0.004 0.000 0.280 508 I C 0.622 176.607 176.117 -0.220 0.000 1.027 508 I CA -0.430 60.786 61.300 -0.140 0.000 1.161 508 I CB 0.863 38.792 38.000 -0.119 0.000 1.300 508 I HN 0.770 nan 8.210 nan 0.000 0.463 509 G N 3.499 112.388 108.800 0.150 0.000 2.557 509 G HA2 0.441 4.404 3.960 0.004 0.000 0.302 509 G HA3 0.441 4.404 3.960 0.004 0.000 0.302 509 G C -1.484 173.578 174.900 0.270 0.000 1.311 509 G CA -0.278 44.970 45.100 0.246 0.000 1.030 509 G HN 0.599 nan 8.290 nan 0.000 0.509 510 H N -1.304 117.861 119.070 0.159 0.000 2.667 510 H HA 0.534 5.093 4.556 0.004 0.000 0.353 510 H C -1.190 174.221 175.328 0.139 0.000 1.072 510 H CA -0.683 55.431 56.048 0.110 0.000 1.214 510 H CB 1.818 31.591 29.762 0.017 0.000 1.600 510 H HN 0.405 nan 8.280 nan 0.000 0.527 511 L N 4.010 125.030 121.223 -0.339 0.000 2.282 511 L HA 0.409 4.752 4.340 0.004 0.000 0.288 511 L C -1.072 175.472 176.870 -0.543 0.000 1.033 511 L CA -0.261 54.273 54.840 -0.511 0.000 0.807 511 L CB 1.118 42.745 42.059 -0.719 0.000 1.209 511 L HN 0.763 nan 8.230 nan 0.000 0.423 512 D N 3.012 123.133 120.400 -0.465 0.000 2.473 512 D HA 0.234 4.876 4.640 0.004 0.000 0.253 512 D C -0.550 175.601 176.300 -0.248 0.000 1.233 512 D CA -0.130 53.731 54.000 -0.232 0.000 0.908 512 D CB 0.636 41.442 40.800 0.010 0.000 1.170 512 D HN 0.455 nan 8.370 nan 0.000 0.558 513 Y N 2.573 122.900 120.300 0.046 0.000 2.461 513 Y HA 0.393 4.945 4.550 0.003 0.000 0.277 513 Y C 1.572 177.644 175.900 0.286 0.000 1.182 513 Y CA 0.481 58.686 58.100 0.176 0.000 1.276 513 Y CB 0.163 38.785 38.460 0.270 0.000 1.087 513 Y HN 0.633 nan 8.280 nan 0.000 0.519 514 G N -0.408 108.553 108.800 0.269 0.000 2.785 514 G HA2 0.133 4.095 3.960 0.004 0.000 0.685 514 G HA3 0.133 4.095 3.960 0.004 0.000 0.685 514 G C 0.714 175.805 174.900 0.319 0.000 1.480 514 G CA -0.270 44.956 45.100 0.210 0.000 0.915 514 G HN 1.088 nan 8.290 nan 0.000 0.576 515 G N -0.945 107.998 108.800 0.237 0.000 2.153 515 G HA2 0.347 4.310 3.960 0.004 0.000 0.252 515 G HA3 0.347 4.310 3.960 0.004 0.000 0.252 515 G C 1.862 176.802 174.900 0.066 0.000 0.994 515 G CA 0.957 46.146 45.100 0.149 0.000 0.698 515 G HN 3.195 nan 8.290 nan 0.000 0.521 516 G N -2.801 106.052 108.800 0.089 0.000 2.217 516 G HA2 -0.075 3.888 3.960 0.004 0.000 0.246 516 G HA3 -0.075 3.888 3.960 0.004 0.000 0.246 516 G C 0.497 175.442 174.900 0.075 0.000 0.990 516 G CA 0.413 45.553 45.100 0.066 0.000 0.627 516 G HN 1.677 nan 8.290 nan 0.000 0.522 517 V N 2.836 122.813 119.914 0.105 0.000 2.370 517 V HA 0.538 4.660 4.120 0.004 0.000 0.257 517 V C 0.419 176.620 176.094 0.177 0.000 1.064 517 V CA 0.938 63.318 62.300 0.133 0.000 0.975 517 V CB 0.267 32.186 31.823 0.160 0.000 1.067 517 V HN 0.728 nan 8.190 nan 0.000 0.485 518 E N 4.406 124.661 120.200 0.092 0.000 2.416 518 E HA 0.755 5.108 4.350 0.004 0.000 0.280 518 E C -1.177 175.365 176.600 -0.097 0.000 1.055 518 E CA -0.968 55.424 56.400 -0.013 0.000 0.825 518 E CB 2.170 31.918 29.700 0.080 0.000 1.312 518 E HN 0.662 nan 8.360 nan 0.000 0.452 519 C N -0.358 118.722 119.300 -0.366 0.000 3.306 519 C HA 0.604 5.066 4.460 0.004 0.000 0.335 519 C C -1.314 173.355 174.990 -0.535 0.000 1.382 519 C CA -0.898 57.939 59.018 -0.302 0.000 1.254 519 C CB 0.902 28.553 27.740 -0.148 0.000 1.555 519 C HN 0.802 nan 8.230 nan 0.000 0.463 520 D N 0.900 121.225 120.400 -0.126 0.000 2.329 520 D HA 0.720 5.362 4.640 0.004 0.000 0.246 520 D C 0.144 176.413 176.300 -0.050 0.000 1.111 520 D CA 0.626 54.629 54.000 0.005 0.000 0.941 520 D CB 1.653 42.505 40.800 0.087 0.000 1.169 520 D HN 1.215 nan 8.370 nan 0.000 0.441 521 A N 0.821 123.605 122.820 -0.060 0.000 2.594 521 A HA 0.600 4.922 4.320 0.004 0.000 0.295 521 A C -1.054 176.324 177.584 -0.343 0.000 1.071 521 A CA -0.681 51.230 52.037 -0.209 0.000 0.685 521 A CB 0.944 19.784 19.000 -0.267 0.000 1.285 521 A HN 0.446 nan 8.150 nan 0.000 0.405 522 L N 0.116 121.120 121.223 -0.365 0.000 2.416 522 L HA 0.735 5.077 4.340 0.004 0.000 0.263 522 L C -0.930 175.555 176.870 -0.641 0.000 1.065 522 L CA -0.559 54.102 54.840 -0.299 0.000 0.798 522 L CB 1.130 43.091 42.059 -0.164 0.000 1.267 522 L HN 0.719 nan 8.230 nan 0.000 0.467 523 F N -0.308 119.602 119.950 -0.067 0.000 2.588 523 F HA 0.483 5.011 4.527 0.003 0.000 0.314 523 F C -2.351 173.324 175.800 -0.208 0.000 1.069 523 F CA -2.216 55.690 58.000 -0.156 0.000 0.931 523 F CB 1.623 40.489 39.000 -0.224 0.000 1.260 523 F HN 0.156 nan 8.300 nan 0.000 0.465 524 P HA 0.140 nan 4.420 nan 0.000 0.288 524 P C -0.992 175.842 177.300 -0.775 0.000 1.267 524 P CA -0.311 62.422 63.100 -0.613 0.000 0.815 524 P CB 1.062 32.214 31.700 -0.913 0.000 0.989 525 D N 2.157 122.242 120.400 -0.526 0.000 2.563 525 D HA 0.097 4.740 4.640 0.004 0.000 0.222 525 D C 0.668 176.792 176.300 -0.295 0.000 1.145 525 D CA -0.437 53.337 54.000 -0.376 0.000 1.001 525 D CB -0.532 40.115 40.800 -0.256 0.000 1.049 525 D HN 0.272 nan 8.370 nan 0.000 0.515 526 W N 2.141 123.380 121.300 -0.102 0.000 2.275 526 W HA -0.239 4.423 4.660 0.003 0.000 0.321 526 W C 2.417 178.881 176.519 -0.091 0.000 1.269 526 W CA 1.037 58.308 57.345 -0.123 0.000 1.274 526 W CB -0.550 28.783 29.460 -0.211 0.000 1.141 526 W HN 0.457 nan 8.180 nan 0.000 0.493 527 G N 0.029 108.899 108.800 0.115 0.000 2.559 527 G HA2 -0.135 3.827 3.960 0.004 0.000 0.216 527 G HA3 -0.135 3.827 3.960 0.004 0.000 0.216 527 G C 0.730 175.644 174.900 0.023 0.000 1.126 527 G CA -0.339 44.793 45.100 0.055 0.000 0.778 527 G HN 0.056 nan 8.290 nan 0.000 0.543 528 R N 1.233 121.726 120.500 -0.013 0.000 2.438 528 R HA 0.233 4.575 4.340 0.004 0.000 0.287 528 R C -2.151 174.148 176.300 -0.002 0.000 1.077 528 R CA -1.515 54.563 56.100 -0.038 0.000 1.034 528 R CB 0.724 30.961 30.300 -0.105 0.000 0.993 528 R HN 0.054 nan 8.270 nan 0.000 0.459 529 P HA 0.013 nan 4.420 nan 0.000 0.271 529 P C -0.642 176.672 177.300 0.024 0.000 1.218 529 P CA 0.177 63.293 63.100 0.026 0.000 0.780 529 P CB 0.826 32.539 31.700 0.022 0.000 0.901 530 D N -0.148 120.289 120.400 0.061 0.000 2.075 530 D HA -0.138 4.504 4.640 0.004 0.000 0.168 530 D C 1.384 177.771 176.300 0.145 0.000 1.113 530 D CA 0.945 54.995 54.000 0.083 0.000 1.082 530 D CB -1.256 39.565 40.800 0.036 0.000 1.171 530 D HN 0.126 nan 8.370 nan 0.000 0.531 531 V N 1.374 121.363 119.914 0.124 0.000 2.244 531 V HA -0.186 3.937 4.120 0.004 0.000 0.244 531 V C 2.794 179.153 176.094 0.442 0.000 1.042 531 V CA 2.781 65.191 62.300 0.183 0.000 1.006 531 V CB -0.769 31.059 31.823 0.009 0.000 0.641 531 V HN 0.434 nan 8.190 nan 0.000 0.446 532 A N -0.113 122.948 122.820 0.401 0.000 1.917 532 A HA -0.328 3.994 4.320 0.004 0.000 0.219 532 A C 2.161 179.983 177.584 0.396 0.000 1.182 532 A CA 2.406 54.711 52.037 0.446 0.000 0.633 532 A CB -0.610 18.543 19.000 0.256 0.000 0.819 532 A HN 0.596 nan 8.150 nan 0.000 0.448 533 E N -0.939 119.434 120.200 0.289 0.000 2.058 533 E HA -0.237 4.115 4.350 0.004 0.000 0.194 533 E C 1.704 178.448 176.600 0.240 0.000 0.997 533 E CA 1.834 58.363 56.400 0.216 0.000 0.801 533 E CB -0.527 29.272 29.700 0.165 0.000 0.746 533 E HN 0.762 nan 8.360 nan 0.000 0.450 534 W N 0.286 121.651 121.300 0.108 0.000 2.388 534 W HA -0.144 4.519 4.660 0.003 0.000 0.294 534 W C 2.097 178.676 176.519 0.099 0.000 1.212 534 W CA 1.771 59.158 57.345 0.069 0.000 1.271 534 W CB -0.579 28.916 29.460 0.058 0.000 1.126 534 W HN 0.279 nan 8.180 nan 0.000 0.535 535 W N 1.435 122.797 121.300 0.103 0.000 2.380 535 W HA -0.083 4.579 4.660 0.003 0.000 0.317 535 W C 2.083 178.523 176.519 -0.132 0.000 1.196 535 W CA 2.314 59.588 57.345 -0.119 0.000 1.307 535 W CB -1.138 28.604 29.460 0.470 0.000 1.157 535 W HN 0.017 nan 8.180 nan 0.000 0.483 536 G N 0.733 109.547 108.800 0.023 0.000 2.450 536 G HA2 -0.382 3.580 3.960 0.004 0.000 0.220 536 G HA3 -0.382 3.580 3.960 0.004 0.000 0.220 536 G C 1.276 176.053 174.900 -0.206 0.000 1.130 536 G CA 1.265 46.316 45.100 -0.083 0.000 0.760 536 G HN 0.340 nan 8.290 nan 0.000 0.557 537 N N 0.835 119.386 118.700 -0.248 0.000 2.289 537 N HA -0.081 4.661 4.740 0.004 0.000 0.184 537 N C 1.944 177.136 175.510 -0.530 0.000 1.016 537 N CA 0.828 53.700 53.050 -0.296 0.000 0.872 537 N CB -0.152 38.200 38.487 -0.225 0.000 0.973 537 N HN 0.149 nan 8.380 nan 0.000 0.433 538 N N -0.583 117.568 118.700 -0.915 0.000 2.381 538 N HA -0.122 4.621 4.740 0.004 0.000 0.182 538 N C 0.755 175.431 175.510 -1.391 0.000 1.025 538 N CA 0.655 52.856 53.050 -1.415 0.000 0.888 538 N CB -0.249 36.806 38.487 -2.386 0.000 0.965 538 N HN 0.467 nan 8.380 nan 0.000 0.438 539 Y N 1.543 121.180 120.300 -1.105 0.000 2.574 539 Y HA -0.017 4.536 4.550 0.004 0.000 0.294 539 Y C 2.071 177.460 175.900 -0.851 0.000 1.142 539 Y CA 0.661 58.172 58.100 -0.981 0.000 1.314 539 Y CB 0.126 37.907 38.460 -1.133 0.000 0.991 539 Y HN 0.012 nan 8.280 nan 0.000 0.555 540 K N 0.548 120.724 120.400 -0.374 0.000 2.032 540 K HA -0.217 4.105 4.320 0.004 0.000 0.209 540 K C 1.831 178.372 176.600 -0.099 0.000 1.048 540 K CA 1.591 57.797 56.287 -0.136 0.000 0.927 540 K CB -0.260 32.182 32.500 -0.095 0.000 0.712 540 K HN 0.301 nan 8.250 nan 0.000 0.441 541 K N 0.741 121.032 120.400 -0.181 0.000 2.189 541 K HA -0.169 4.153 4.320 0.004 0.000 0.207 541 K C 2.056 178.679 176.600 0.038 0.000 1.046 541 K CA 1.334 57.578 56.287 -0.071 0.000 0.928 541 K CB -0.133 32.295 32.500 -0.121 0.000 0.720 541 K HN 0.147 nan 8.250 nan 0.000 0.458 542 L N -1.410 119.803 121.223 -0.017 0.000 2.286 542 L HA 0.037 4.379 4.340 0.004 0.000 0.203 542 L C 1.936 178.926 176.870 0.200 0.000 1.068 542 L CA 0.044 54.937 54.840 0.089 0.000 0.811 542 L CB -0.232 41.825 42.059 -0.003 0.000 0.989 542 L HN -0.007 nan 8.230 nan 0.000 0.467 543 F N 1.124 121.113 119.950 0.065 0.000 2.126 543 F HA -0.213 4.316 4.527 0.004 0.000 0.299 543 F C 2.934 178.785 175.800 0.084 0.000 1.096 543 F CA 1.334 59.372 58.000 0.063 0.000 1.255 543 F CB -1.384 37.658 39.000 0.070 0.000 0.997 543 F HN 0.166 nan 8.300 nan 0.000 0.479 544 S N 0.416 116.278 115.700 0.271 0.000 2.603 544 S HA -0.048 4.424 4.470 0.004 0.000 0.229 544 S C 1.278 176.012 174.600 0.223 0.000 0.972 544 S CA 0.719 59.042 58.200 0.205 0.000 0.935 544 S CB -1.242 62.049 63.200 0.151 0.000 0.769 544 S HN 0.566 nan 8.310 nan 0.000 0.536 545 I N -4.043 116.681 120.570 0.257 0.000 4.009 545 I HA 0.676 4.848 4.170 0.004 0.000 0.331 545 I C 1.134 177.422 176.117 0.285 0.000 1.462 545 I CA -0.116 61.349 61.300 0.275 0.000 1.117 545 I CB 0.234 38.427 38.000 0.321 0.000 1.091 545 I HN 0.249 nan 8.210 nan 0.000 0.410 546 G N 1.787 110.741 108.800 0.257 0.000 2.184 546 G HA2 -0.219 3.744 3.960 0.004 0.000 0.206 546 G HA3 -0.219 3.744 3.960 0.004 0.000 0.206 546 G C -0.119 174.805 174.900 0.039 0.000 0.995 546 G CA -0.086 45.165 45.100 0.252 0.000 0.651 546 G HN 0.334 nan 8.290 nan 0.000 0.511 547 L N 1.984 123.076 121.223 -0.219 0.000 2.559 547 L HA 0.347 4.689 4.340 0.004 0.000 0.274 547 L C 1.133 177.946 176.870 -0.095 0.000 1.205 547 L CA 1.000 55.467 54.840 -0.622 0.000 0.907 547 L CB 0.370 42.153 42.059 -0.460 0.000 1.153 547 L HN 0.249 nan 8.230 nan 0.000 0.490 548 D N 4.961 125.322 120.400 -0.065 0.000 2.202 548 D HA 0.058 4.700 4.640 0.004 0.000 0.214 548 D C 0.185 176.687 176.300 0.336 0.000 0.967 548 D CA 1.585 55.689 54.000 0.174 0.000 0.871 548 D CB 0.180 41.094 40.800 0.190 0.000 1.020 548 D HN 0.518 nan 8.370 nan 0.000 0.474 549 F N -0.884 119.099 119.950 0.055 0.000 2.869 549 F HA 0.588 5.117 4.527 0.004 0.000 0.325 549 F C -1.412 174.470 175.800 0.136 0.000 1.184 549 F CA -1.329 56.751 58.000 0.133 0.000 0.951 549 F CB 1.310 40.423 39.000 0.188 0.000 1.421 549 F HN -0.408 nan 8.300 nan 0.000 0.501 550 V N 1.235 121.209 119.914 0.101 0.000 2.459 550 V HA 0.202 4.324 4.120 0.004 0.000 0.295 550 V C -1.595 174.488 176.094 -0.019 0.000 1.029 550 V CA -0.372 61.968 62.300 0.067 0.000 0.874 550 V CB 1.486 33.443 31.823 0.225 0.000 0.985 550 V HN 0.785 nan 8.190 nan 0.000 0.438 551 W N 5.263 126.412 121.300 -0.252 0.000 2.322 551 W HA 0.585 5.247 4.660 0.003 0.000 0.321 551 W C -0.303 176.163 176.519 -0.088 0.000 0.991 551 W CA -1.500 55.675 57.345 -0.282 0.000 1.448 551 W CB 0.985 30.179 29.460 -0.443 0.000 1.239 551 W HN 0.610 nan 8.180 nan 0.000 0.399 552 Q N 4.149 124.094 119.800 0.241 0.000 2.337 552 Q HA 0.193 4.535 4.340 0.004 0.000 0.255 552 Q C -0.742 175.385 176.000 0.212 0.000 0.997 552 Q CA 0.453 56.361 55.803 0.175 0.000 0.925 552 Q CB 0.638 29.476 28.738 0.167 0.000 1.212 552 Q HN 0.388 nan 8.270 nan 0.000 0.436 553 D N 2.557 122.990 120.400 0.056 0.000 2.340 553 D HA 0.338 4.980 4.640 0.004 0.000 0.243 553 D C -0.228 176.138 176.300 0.111 0.000 0.988 553 D CA -0.328 53.712 54.000 0.067 0.000 0.959 553 D CB 0.850 41.526 40.800 -0.206 0.000 1.226 553 D HN 0.556 nan 8.370 nan 0.000 0.509 554 M N 1.038 120.701 119.600 0.105 0.000 2.259 554 M HA -0.186 4.296 4.480 0.004 0.000 0.188 554 M C 0.978 177.427 176.300 0.248 0.000 0.665 554 M CA 0.807 56.204 55.300 0.162 0.000 0.464 554 M CB -2.993 29.684 32.600 0.129 0.000 1.063 554 M HN 0.555 nan 8.290 nan 0.000 0.912 555 T N -4.172 110.481 114.554 0.165 0.000 3.014 555 T HA 0.112 4.465 4.350 0.004 0.000 0.263 555 T C 1.674 176.477 174.700 0.172 0.000 1.078 555 T CA 0.803 63.008 62.100 0.175 0.000 1.135 555 T CB 0.025 68.963 68.868 0.117 0.000 0.895 555 T HN 0.312 nan 8.240 nan 0.000 0.480 556 V N 2.273 122.220 119.914 0.053 0.000 2.277 556 V HA -0.106 4.016 4.120 0.004 0.000 0.255 556 V C -1.400 174.483 176.094 -0.351 0.000 1.074 556 V CA 1.511 63.755 62.300 -0.094 0.000 1.058 556 V CB -1.774 29.954 31.823 -0.158 0.000 0.656 556 V HN 0.461 nan 8.190 nan 0.000 0.449 557 P HA 0.275 nan 4.420 nan 0.000 0.275 557 P C -0.759 176.459 177.300 -0.136 0.000 1.228 557 P CA 0.191 63.136 63.100 -0.259 0.000 0.786 557 P CB 0.576 31.858 31.700 -0.696 0.000 0.927 558 A N 4.533 127.454 122.820 0.168 0.000 2.807 558 A HA 0.370 4.692 4.320 0.004 0.000 0.307 558 A C 0.224 177.918 177.584 0.182 0.000 1.532 558 A CA -0.297 51.781 52.037 0.069 0.000 1.215 558 A CB -0.981 18.039 19.000 0.032 0.000 1.127 558 A HN 0.441 nan 8.150 nan 0.000 0.543 559 M N 2.154 121.796 119.600 0.070 0.000 2.367 559 M HA 0.352 4.835 4.480 0.004 0.000 0.339 559 M C 0.485 176.795 176.300 0.016 0.000 1.177 559 M CA -0.309 55.072 55.300 0.137 0.000 1.068 559 M CB 1.329 33.941 32.600 0.021 0.000 1.602 559 M HN 0.665 nan 8.290 nan 0.000 0.457 560 M N 4.475 124.114 119.600 0.064 0.000 2.240 560 M HA 0.063 4.545 4.480 0.004 0.000 0.346 560 M C -2.011 174.338 176.300 0.081 0.000 1.236 560 M CA -0.825 54.523 55.300 0.079 0.000 0.986 560 M CB 0.368 33.070 32.600 0.169 0.000 1.786 560 M HN 0.293 nan 8.290 nan 0.000 0.457 561 P HA -0.072 nan 4.420 nan 0.000 0.264 561 P C -1.254 176.203 177.300 0.262 0.000 1.179 561 P CA 0.855 64.044 63.100 0.150 0.000 0.763 561 P CB 0.224 32.110 31.700 0.310 0.000 0.806 562 H N 1.043 120.194 119.070 0.135 0.000 3.123 562 H HA 0.272 4.830 4.556 0.004 0.000 0.346 562 H C -1.359 174.196 175.328 0.378 0.000 1.138 562 H CA -0.710 55.468 56.048 0.217 0.000 1.273 562 H CB 2.008 31.897 29.762 0.211 0.000 1.926 562 H HN 0.370 nan 8.280 nan 0.000 0.524 563 K N 5.517 125.789 120.400 -0.213 0.000 2.221 563 K HA 0.288 4.610 4.320 0.004 0.000 0.258 563 K C -0.079 176.322 176.600 -0.331 0.000 0.944 563 K CA -0.811 55.449 56.287 -0.045 0.000 0.823 563 K CB 1.057 33.395 32.500 -0.271 0.000 1.113 563 K HN 0.367 nan 8.250 nan 0.000 0.431 564 I N 3.496 124.038 120.570 -0.046 0.000 2.826 564 I HA -0.066 4.106 4.170 0.004 0.000 0.295 564 I C 1.517 177.550 176.117 -0.139 0.000 1.213 564 I CA 1.783 63.018 61.300 -0.110 0.000 1.436 564 I CB -0.266 37.680 38.000 -0.090 0.000 1.348 564 I HN 1.136 nan 8.210 nan 0.000 0.570 565 G N 5.625 114.363 108.800 -0.103 0.000 2.397 565 G HA2 -0.199 3.764 3.960 0.004 0.000 0.211 565 G HA3 -0.199 3.764 3.960 0.004 0.000 0.211 565 G C 0.113 174.964 174.900 -0.081 0.000 1.077 565 G CA -0.267 44.779 45.100 -0.089 0.000 0.649 565 G HN 0.517 nan 8.290 nan 0.000 0.511 566 D N 2.944 123.253 120.400 -0.152 0.000 2.488 566 D HA 0.412 5.054 4.640 0.004 0.000 0.238 566 D C 0.552 176.905 176.300 0.089 0.000 1.138 566 D CA 0.100 54.038 54.000 -0.104 0.000 0.873 566 D CB 0.457 41.123 40.800 -0.223 0.000 1.183 566 D HN 0.293 nan 8.370 nan 0.000 0.458 567 D N 0.884 121.321 120.400 0.062 0.000 2.406 567 D HA -0.037 4.606 4.640 0.004 0.000 0.234 567 D C 1.585 177.971 176.300 0.144 0.000 1.196 567 D CA -0.065 53.980 54.000 0.075 0.000 0.881 567 D CB 0.581 41.384 40.800 0.005 0.000 1.205 567 D HN 0.318 nan 8.370 nan 0.000 0.453 568 I N 0.948 121.524 120.570 0.011 0.000 2.361 568 I HA -0.261 3.911 4.170 0.004 0.000 0.251 568 I C 1.553 177.526 176.117 -0.240 0.000 1.133 568 I CA 0.877 62.086 61.300 -0.151 0.000 1.413 568 I CB -0.205 37.699 38.000 -0.159 0.000 1.073 568 I HN 0.355 nan 8.210 nan 0.000 0.424 569 N N 0.339 118.855 118.700 -0.307 0.000 2.314 569 N HA 0.024 4.766 4.740 0.004 0.000 0.200 569 N C -0.258 175.107 175.510 -0.241 0.000 1.135 569 N CA 0.124 52.807 53.050 -0.612 0.000 0.835 569 N CB -0.128 38.047 38.487 -0.520 0.000 0.989 569 N HN 0.020 nan 8.380 nan 0.000 0.478 570 V N 1.628 121.512 119.914 -0.050 0.000 2.370 570 V HA 0.240 4.362 4.120 0.004 0.000 0.283 570 V C 0.170 176.327 176.094 0.106 0.000 1.023 570 V CA -1.003 61.310 62.300 0.022 0.000 0.857 570 V CB 1.243 33.073 31.823 0.013 0.000 0.985 570 V HN 0.318 nan 8.190 nan 0.000 0.443 571 K N 6.435 126.886 120.400 0.084 0.000 2.123 571 K HA 0.710 5.032 4.320 0.004 0.000 0.259 571 K C -2.659 173.995 176.600 0.090 0.000 0.960 571 K CA -1.652 54.713 56.287 0.130 0.000 0.872 571 K CB 1.614 34.200 32.500 0.143 0.000 1.079 571 K HN 0.375 nan 8.250 nan 0.000 0.440 572 P HA -0.031 nan 4.420 nan 0.000 0.275 572 P C -0.640 176.727 177.300 0.112 0.000 1.266 572 P CA -0.297 62.839 63.100 0.060 0.000 0.793 572 P CB 0.355 32.135 31.700 0.133 0.000 1.074 573 D N -0.661 119.792 120.400 0.088 0.000 2.525 573 D HA -0.043 4.599 4.640 0.004 0.000 0.235 573 D C 1.684 178.101 176.300 0.196 0.000 1.137 573 D CA 0.669 54.746 54.000 0.128 0.000 0.868 573 D CB 0.757 41.630 40.800 0.123 0.000 1.180 573 D HN 0.478 nan 8.370 nan 0.000 0.465 574 G N 4.128 113.032 108.800 0.174 0.000 2.475 574 G HA2 -0.306 3.656 3.960 0.004 0.000 0.220 574 G HA3 -0.306 3.656 3.960 0.004 0.000 0.220 574 G C 1.421 176.507 174.900 0.309 0.000 1.125 574 G CA 0.185 45.414 45.100 0.215 0.000 0.755 574 G HN 0.565 nan 8.290 nan 0.000 0.565 575 N N -0.801 118.075 118.700 0.295 0.000 2.396 575 N HA -0.039 4.703 4.740 0.004 0.000 0.180 575 N C 0.149 175.782 175.510 0.205 0.000 1.028 575 N CA 0.248 53.508 53.050 0.349 0.000 0.893 575 N CB 0.053 38.714 38.487 0.290 0.000 0.967 575 N HN 0.477 nan 8.380 nan 0.000 0.440 576 W N 3.001 124.291 121.300 -0.017 0.000 2.365 576 W HA 0.332 4.994 4.660 0.003 0.000 0.316 576 W C -2.161 174.111 176.519 -0.411 0.000 1.164 576 W CA -1.652 55.600 57.345 -0.155 0.000 1.204 576 W CB 0.900 30.285 29.460 -0.125 0.000 1.213 576 W HN -0.055 nan 8.180 nan 0.000 0.539 577 P HA 0.353 nan 4.420 nan 0.000 0.280 577 P C -1.497 175.347 177.300 -0.759 0.000 1.272 577 P CA -0.386 61.617 63.100 -1.827 0.000 0.819 577 P CB 1.722 32.191 31.700 -2.051 0.000 1.122 578 N N -1.928 116.462 118.700 -0.516 0.000 2.972 578 N HA 0.494 5.236 4.740 0.004 0.000 0.262 578 N C 0.734 176.104 175.510 -0.233 0.000 1.478 578 N CA -0.776 52.096 53.050 -0.297 0.000 0.841 578 N CB -0.258 38.112 38.487 -0.196 0.000 1.512 578 N HN 0.181 nan 8.380 nan 0.000 0.548 579 A N -0.354 122.295 122.820 -0.286 0.000 1.892 579 A HA -0.205 4.117 4.320 0.004 0.000 0.218 579 A C 1.126 178.640 177.584 -0.117 0.000 1.188 579 A CA 2.152 54.020 52.037 -0.282 0.000 0.631 579 A CB -0.965 17.650 19.000 -0.642 0.000 0.822 579 A HN 0.728 nan 8.150 nan 0.000 0.447 580 D N -1.061 119.302 120.400 -0.061 0.000 2.347 580 D HA 0.066 4.708 4.640 0.004 0.000 0.213 580 D C -0.162 176.179 176.300 0.068 0.000 0.985 580 D CA 0.744 54.778 54.000 0.057 0.000 0.879 580 D CB 0.209 41.080 40.800 0.118 0.000 0.919 580 D HN 0.397 nan 8.370 nan 0.000 0.526 581 D N 0.096 120.524 120.400 0.048 0.000 2.621 581 D HA 0.161 4.804 4.640 0.004 0.000 0.274 581 D C -2.737 173.591 176.300 0.047 0.000 1.215 581 D CA -1.934 52.147 54.000 0.135 0.000 0.810 581 D CB 1.236 42.191 40.800 0.258 0.000 1.248 581 D HN -0.088 nan 8.370 nan 0.000 0.517 582 P HA 0.101 nan 4.420 nan 0.000 0.274 582 P C 1.088 178.367 177.300 -0.035 0.000 1.256 582 P CA -0.319 62.746 63.100 -0.058 0.000 0.795 582 P CB 1.050 32.771 31.700 0.036 0.000 1.038 583 S N 0.697 116.334 115.700 -0.105 0.000 2.370 583 S HA -0.194 4.278 4.470 0.004 0.000 0.226 583 S C 0.657 175.422 174.600 0.275 0.000 1.033 583 S CA 1.362 59.563 58.200 0.003 0.000 1.011 583 S CB -1.336 61.959 63.200 0.159 0.000 0.852 583 S HN 0.525 nan 8.310 nan 0.000 0.457 584 N N 0.923 119.771 118.700 0.246 0.000 2.716 584 N HA -0.189 4.553 4.740 0.004 0.000 0.250 584 N C 0.627 176.303 175.510 0.276 0.000 1.033 584 N CA 1.232 54.428 53.050 0.243 0.000 0.727 584 N CB -2.020 36.588 38.487 0.203 0.000 0.950 584 N HN 0.881 nan 8.380 nan 0.000 0.541 585 G N -1.167 107.839 108.800 0.343 0.000 2.147 585 G HA2 -0.360 3.603 3.960 0.004 0.000 0.244 585 G HA3 -0.360 3.603 3.960 0.004 0.000 0.244 585 G C 0.674 175.778 174.900 0.340 0.000 1.005 585 G CA 0.806 46.122 45.100 0.360 0.000 0.713 585 G HN 0.579 nan 8.290 nan 0.000 0.515 586 Q N -2.014 118.025 119.800 0.398 0.000 2.423 586 Q HA 0.234 4.576 4.340 0.004 0.000 0.231 586 Q C 0.832 177.178 176.000 0.577 0.000 0.894 586 Q CA -0.191 55.860 55.803 0.414 0.000 0.938 586 Q CB 0.688 29.655 28.738 0.382 0.000 1.079 586 Q HN 0.510 nan 8.270 nan 0.000 0.552 587 Y N 3.179 123.694 120.300 0.359 0.000 2.346 587 Y HA -0.020 4.533 4.550 0.004 0.000 0.330 587 Y C 1.014 176.900 175.900 -0.024 0.000 1.178 587 Y CA -0.471 57.684 58.100 0.090 0.000 1.331 587 Y CB 0.600 38.716 38.460 -0.574 0.000 1.253 587 Y HN 0.143 nan 8.280 nan 0.000 0.529 588 N N 2.423 120.729 118.700 -0.656 0.000 2.424 588 N HA -0.108 4.634 4.740 0.004 0.000 0.178 588 N C -0.420 174.809 175.510 -0.468 0.000 1.060 588 N CA 0.401 52.995 53.050 -0.759 0.000 0.901 588 N CB -0.555 37.245 38.487 -1.146 0.000 0.979 588 N HN 0.770 nan 8.380 nan 0.000 0.451 589 W N 1.530 122.271 121.300 -0.932 0.000 5.721 589 W HA -0.223 4.440 4.660 0.005 0.000 0.406 589 W C -0.288 175.951 176.519 -0.466 0.000 1.576 589 W CA 0.315 57.429 57.345 -0.385 0.000 0.977 589 W CB -2.481 27.110 29.460 0.219 0.000 2.771 589 W HN 0.103 nan 8.180 nan 0.000 1.435 590 K N -1.293 118.830 120.400 -0.462 0.000 3.213 590 K HA -0.238 4.084 4.320 0.004 0.000 0.266 590 K C 0.489 176.866 176.600 -0.371 0.000 0.911 590 K CA 1.413 57.465 56.287 -0.392 0.000 0.684 590 K CB -1.011 31.232 32.500 -0.429 0.000 1.402 590 K HN 0.479 nan 8.250 nan 0.000 0.465 591 T N -2.193 112.162 114.554 -0.333 0.000 2.663 591 T HA 0.233 4.585 4.350 0.004 0.000 0.297 591 T C -1.371 173.104 174.700 -0.375 0.000 1.505 591 T CA -0.839 61.043 62.100 -0.363 0.000 1.024 591 T CB 0.243 68.906 68.868 -0.342 0.000 1.865 591 T HN 0.105 nan 8.240 nan 0.000 0.453 592 Y N 2.709 122.707 120.300 -0.503 0.000 2.712 592 Y HA 0.176 4.728 4.550 0.004 0.000 0.333 592 Y C 1.428 177.153 175.900 -0.291 0.000 1.225 592 Y CA 0.467 58.221 58.100 -0.576 0.000 1.499 592 Y CB 0.102 38.124 38.460 -0.729 0.000 1.288 592 Y HN 0.393 nan 8.280 nan 0.000 0.575 593 H N 6.614 125.733 119.070 0.082 0.000 3.091 593 H HA -0.030 4.528 4.556 0.003 0.000 0.289 593 H C -1.412 173.977 175.328 0.101 0.000 0.995 593 H CA -0.942 55.235 56.048 0.215 0.000 1.461 593 H CB 0.767 30.831 29.762 0.502 0.000 1.510 593 H HN 0.528 nan 8.280 nan 0.000 0.546 594 P HA -0.163 nan 4.420 nan 0.000 0.220 594 P C 0.947 178.292 177.300 0.076 0.000 1.144 594 P CA 1.028 64.230 63.100 0.170 0.000 0.800 594 P CB 0.404 32.311 31.700 0.345 0.000 0.772 595 Q N -0.444 119.349 119.800 -0.012 0.000 2.291 595 Q HA -0.018 4.324 4.340 0.004 0.000 0.206 595 Q C 1.063 177.039 176.000 -0.040 0.000 0.976 595 Q CA 0.306 55.926 55.803 -0.305 0.000 0.875 595 Q CB -1.001 27.579 28.738 -0.263 0.000 0.927 595 Q HN 0.146 nan 8.270 nan 0.000 0.450 596 V N 1.102 120.969 119.914 -0.078 0.000 2.655 596 V HA -0.008 4.114 4.120 0.004 0.000 0.300 596 V C -0.156 175.781 176.094 -0.262 0.000 1.044 596 V CA -0.042 62.105 62.300 -0.256 0.000 1.095 596 V CB 0.379 31.764 31.823 -0.729 0.000 0.952 596 V HN 0.250 nan 8.190 nan 0.000 0.485 597 L N 7.907 129.029 121.223 -0.168 0.000 2.363 597 L HA 0.320 4.663 4.340 0.004 0.000 0.286 597 L C -0.110 176.630 176.870 -0.217 0.000 1.106 597 L CA -0.213 54.529 54.840 -0.163 0.000 0.859 597 L CB 1.005 43.020 42.059 -0.074 0.000 1.223 597 L HN 0.672 nan 8.230 nan 0.000 0.446 598 V N -0.003 119.750 119.914 -0.267 0.000 2.612 598 V HA 0.464 4.586 4.120 0.004 0.000 0.301 598 V C 0.502 176.500 176.094 -0.161 0.000 1.046 598 V CA -0.659 61.478 62.300 -0.272 0.000 0.946 598 V CB 1.357 32.965 31.823 -0.359 0.000 1.003 598 V HN 0.569 nan 8.190 nan 0.000 0.459 599 T N 3.225 117.702 114.554 -0.128 0.000 2.817 599 T HA 0.048 4.400 4.350 0.004 0.000 0.295 599 T C 0.105 174.785 174.700 -0.035 0.000 0.958 599 T CA 0.326 62.384 62.100 -0.070 0.000 1.157 599 T CB -0.103 68.727 68.868 -0.064 0.000 0.898 599 T HN 0.940 nan 8.240 nan 0.000 0.536 600 D N 3.202 123.606 120.400 0.008 0.000 2.554 600 D HA -0.055 4.587 4.640 0.004 0.000 0.251 600 D C 0.899 177.211 176.300 0.020 0.000 1.213 600 D CA 0.451 54.478 54.000 0.046 0.000 0.900 600 D CB 0.391 41.304 40.800 0.188 0.000 1.135 600 D HN 0.513 nan 8.370 nan 0.000 0.522 601 M N 2.911 122.488 119.600 -0.038 0.000 2.556 601 M HA 0.034 4.516 4.480 0.004 0.000 0.245 601 M C 1.728 177.937 176.300 -0.151 0.000 1.128 601 M CA 0.320 55.584 55.300 -0.060 0.000 1.069 601 M CB 0.384 32.947 32.600 -0.063 0.000 1.469 601 M HN 0.199 nan 8.290 nan 0.000 0.494 602 R N -0.636 119.716 120.500 -0.248 0.000 2.090 602 R HA 0.045 4.387 4.340 0.004 0.000 0.219 602 R C -0.370 175.525 176.300 -0.676 0.000 1.100 602 R CA 0.827 56.588 56.100 -0.565 0.000 0.991 602 R CB 0.395 30.186 30.300 -0.849 0.000 0.893 602 R HN 0.193 nan 8.270 nan 0.000 0.443 603 Y N 1.667 121.936 120.300 -0.051 0.000 2.349 603 Y HA 0.173 4.725 4.550 0.004 0.000 0.324 603 Y C -0.624 175.288 175.900 0.019 0.000 1.005 603 Y CA -1.696 56.364 58.100 -0.067 0.000 1.240 603 Y CB 0.819 39.127 38.460 -0.254 0.000 1.117 603 Y HN 0.050 nan 8.280 nan 0.000 0.463 604 E N 1.431 121.715 120.200 0.139 0.000 2.442 604 E HA 0.019 4.371 4.350 0.004 0.000 0.262 604 E C -0.258 176.423 176.600 0.135 0.000 1.004 604 E CA 0.039 56.506 56.400 0.112 0.000 0.928 604 E CB 0.146 29.894 29.700 0.079 0.000 0.937 604 E HN 0.809 nan 8.360 nan 0.000 0.446 605 N N 0.628 119.392 118.700 0.107 0.000 2.693 605 N HA -0.302 4.440 4.740 0.004 0.000 0.249 605 N C 0.038 175.625 175.510 0.127 0.000 1.119 605 N CA 0.697 53.800 53.050 0.089 0.000 0.717 605 N CB -1.024 37.501 38.487 0.063 0.000 1.071 605 N HN 0.653 nan 8.380 nan 0.000 0.555 606 H N -0.020 119.080 119.070 0.049 0.000 2.539 606 H HA 0.297 4.855 4.556 0.004 0.000 0.269 606 H C 1.348 176.692 175.328 0.027 0.000 0.980 606 H CA 1.563 57.637 56.048 0.044 0.000 1.152 606 H CB 0.109 29.930 29.762 0.098 0.000 1.407 606 H HN 0.515 nan 8.280 nan 0.000 0.564 607 G N 0.296 109.084 108.800 -0.021 0.000 2.466 607 G HA2 -0.183 3.779 3.960 0.004 0.000 0.218 607 G HA3 -0.183 3.779 3.960 0.004 0.000 0.218 607 G C -0.954 173.925 174.900 -0.035 0.000 1.237 607 G CA -0.408 44.648 45.100 -0.073 0.000 0.954 607 G HN 0.425 nan 8.290 nan 0.000 0.580 608 R N 0.347 120.815 120.500 -0.052 0.000 2.628 608 R HA 0.638 4.980 4.340 0.004 0.000 0.288 608 R C -1.003 175.273 176.300 -0.040 0.000 0.980 608 R CA -0.882 55.190 56.100 -0.048 0.000 0.891 608 R CB 2.322 32.584 30.300 -0.064 0.000 1.188 608 R HN 0.542 nan 8.270 nan 0.000 0.450 609 E N 2.195 122.358 120.200 -0.061 0.000 2.312 609 E HA 0.350 4.702 4.350 0.004 0.000 0.267 609 E C -2.620 173.853 176.600 -0.212 0.000 0.894 609 E CA -2.431 53.915 56.400 -0.090 0.000 0.773 609 E CB 2.026 31.712 29.700 -0.023 0.000 1.241 609 E HN 0.207 nan 8.360 nan 0.000 0.432 610 P HA -0.039 nan 4.420 nan 0.000 0.264 610 P C 0.713 177.831 177.300 -0.303 0.000 1.183 610 P CA 0.171 63.060 63.100 -0.351 0.000 0.763 610 P CB 0.363 31.745 31.700 -0.529 0.000 0.807 611 M N 5.224 124.658 119.600 -0.276 0.000 2.446 611 M HA -0.106 4.376 4.480 0.004 0.000 0.263 611 M C 1.536 177.717 176.300 -0.199 0.000 1.066 611 M CA 1.431 56.560 55.300 -0.285 0.000 1.087 611 M CB -1.197 31.152 32.600 -0.419 0.000 1.406 611 M HN 0.149 nan 8.290 nan 0.000 0.459 612 V N 0.151 119.980 119.914 -0.142 0.000 2.720 612 V HA -0.222 3.900 4.120 0.004 0.000 0.256 612 V C 2.062 178.023 176.094 -0.222 0.000 1.082 612 V CA 2.403 64.651 62.300 -0.087 0.000 1.101 612 V CB -0.968 30.874 31.823 0.033 0.000 0.693 612 V HN 0.805 nan 8.190 nan 0.000 0.479 613 T N -1.243 113.097 114.554 -0.357 0.000 3.055 613 T HA -0.105 4.247 4.350 0.004 0.000 0.265 613 T C 1.139 175.738 174.700 -0.169 0.000 1.111 613 T CA 1.193 63.104 62.100 -0.314 0.000 1.118 613 T CB -0.167 68.542 68.868 -0.265 0.000 0.909 613 T HN 0.805 nan 8.240 nan 0.000 0.501 614 Q N -0.659 119.033 119.800 -0.180 0.000 1.950 614 Q HA 0.362 4.704 4.340 0.004 0.000 0.207 614 Q C 1.532 177.416 176.000 -0.194 0.000 0.813 614 Q CA -0.614 55.070 55.803 -0.199 0.000 0.989 614 Q CB -0.088 28.535 28.738 -0.192 0.000 1.241 614 Q HN 0.278 nan 8.270 nan 0.000 0.418 615 R N 1.557 121.953 120.500 -0.173 0.000 2.154 615 R HA -0.122 4.220 4.340 0.004 0.000 0.248 615 R C 0.379 176.568 176.300 -0.185 0.000 1.155 615 R CA 1.879 57.871 56.100 -0.179 0.000 0.979 615 R CB 0.075 30.253 30.300 -0.204 0.000 0.869 615 R HN 0.269 nan 8.270 nan 0.000 0.452 616 N N 0.300 118.861 118.700 -0.231 0.000 2.370 616 N HA -0.012 4.730 4.740 0.004 0.000 0.198 616 N C 0.929 176.232 175.510 -0.346 0.000 1.156 616 N CA 0.381 53.270 53.050 -0.268 0.000 0.839 616 N CB 0.417 38.729 38.487 -0.291 0.000 0.989 616 N HN 0.376 nan 8.380 nan 0.000 0.468 617 I N -0.424 119.967 120.570 -0.297 0.000 4.082 617 I HA -0.008 4.164 4.170 0.004 0.000 0.337 617 I C 1.866 177.917 176.117 -0.111 0.000 1.352 617 I CA -0.014 61.123 61.300 -0.271 0.000 1.097 617 I CB 0.082 37.862 38.000 -0.367 0.000 1.048 617 I HN 0.132 nan 8.210 nan 0.000 0.393 618 H N 1.387 120.370 119.070 -0.145 0.000 2.276 618 H HA -0.112 4.446 4.556 0.004 0.000 0.301 618 H C 2.053 177.268 175.328 -0.189 0.000 1.073 618 H CA 2.051 58.028 56.048 -0.118 0.000 1.311 618 H CB 0.296 30.033 29.762 -0.042 0.000 1.379 618 H HN 0.415 nan 8.280 nan 0.000 0.494 619 A N 0.351 123.173 122.820 0.003 0.000 1.933 619 A HA -0.226 4.097 4.320 0.004 0.000 0.218 619 A C 2.405 179.910 177.584 -0.132 0.000 1.175 619 A CA 1.513 53.517 52.037 -0.056 0.000 0.628 619 A CB -1.325 17.707 19.000 0.052 0.000 0.814 619 A HN 0.705 nan 8.150 nan 0.000 0.444 620 Y N 1.053 121.249 120.300 -0.174 0.000 2.145 620 Y HA -0.213 4.339 4.550 0.004 0.000 0.286 620 Y C 2.575 178.264 175.900 -0.351 0.000 1.145 620 Y CA 2.325 60.365 58.100 -0.100 0.000 1.148 620 Y CB -0.380 38.105 38.460 0.042 0.000 0.981 620 Y HN 0.312 nan 8.280 nan 0.000 0.507 621 T N 1.513 115.954 114.554 -0.189 0.000 2.867 621 T HA -0.167 4.185 4.350 0.004 0.000 0.268 621 T C 1.684 175.757 174.700 -1.045 0.000 1.057 621 T CA 1.219 63.013 62.100 -0.511 0.000 1.136 621 T CB -0.501 68.084 68.868 -0.473 0.000 0.874 621 T HN 0.319 nan 8.240 nan 0.000 0.466 622 L N 1.221 121.697 121.223 -1.245 0.000 1.976 622 L HA -0.046 4.296 4.340 0.004 0.000 0.209 622 L C 2.481 178.895 176.870 -0.761 0.000 1.071 622 L CA 1.608 55.627 54.840 -1.368 0.000 0.746 622 L CB -1.255 40.284 42.059 -0.867 0.000 0.890 622 L HN 0.267 nan 8.230 nan 0.000 0.432 623 C N 0.022 118.996 119.300 -0.544 0.000 2.413 623 C HA -0.193 4.269 4.460 0.004 0.000 0.276 623 C C 2.693 177.235 174.990 -0.748 0.000 1.236 623 C CA 1.148 59.904 59.018 -0.436 0.000 1.735 623 C CB -1.032 26.543 27.740 -0.274 0.000 2.031 623 C HN 0.713 nan 8.230 nan 0.000 0.474 624 E N 0.854 120.244 120.200 -1.350 0.000 2.108 624 E HA -0.256 4.096 4.350 0.004 0.000 0.203 624 E C 2.090 178.273 176.600 -0.695 0.000 1.022 624 E CA 2.015 57.442 56.400 -1.621 0.000 0.823 624 E CB -0.079 28.853 29.700 -1.279 0.000 0.744 624 E HN 0.631 nan 8.360 nan 0.000 0.456 625 S N -0.338 115.072 115.700 -0.482 0.000 2.355 625 S HA -0.109 4.363 4.470 0.004 0.000 0.222 625 S C 2.046 176.677 174.600 0.051 0.000 1.031 625 S CA 1.429 59.549 58.200 -0.133 0.000 0.993 625 S CB -0.422 62.735 63.200 -0.072 0.000 0.859 625 S HN 0.347 nan 8.310 nan 0.000 0.453 626 T N 1.965 116.579 114.554 0.099 0.000 2.699 626 T HA -0.169 4.183 4.350 0.004 0.000 0.268 626 T C 1.924 176.512 174.700 -0.187 0.000 1.036 626 T CA 1.813 63.910 62.100 -0.004 0.000 1.147 626 T CB -0.231 68.697 68.868 0.100 0.000 0.862 626 T HN 0.293 nan 8.240 nan 0.000 0.446 627 R N 1.309 121.708 120.500 -0.169 0.000 2.057 627 R HA 0.040 4.382 4.340 0.004 0.000 0.229 627 R C 2.285 178.548 176.300 -0.062 0.000 1.136 627 R CA 1.782 57.822 56.100 -0.101 0.000 0.952 627 R CB -0.280 29.997 30.300 -0.038 0.000 0.848 627 R HN 0.358 nan 8.270 nan 0.000 0.430 628 K N -0.137 120.216 120.400 -0.078 0.000 1.995 628 K HA -0.065 4.257 4.320 0.004 0.000 0.207 628 K C 1.598 178.193 176.600 -0.007 0.000 1.041 628 K CA 1.783 58.052 56.287 -0.030 0.000 0.942 628 K CB 0.007 32.489 32.500 -0.030 0.000 0.731 628 K HN 0.112 nan 8.250 nan 0.000 0.439 629 E N -0.371 119.834 120.200 0.008 0.000 2.371 629 E HA 0.077 4.430 4.350 0.004 0.000 0.194 629 E C 1.475 178.070 176.600 -0.009 0.000 1.012 629 E CA 0.799 57.218 56.400 0.033 0.000 0.860 629 E CB 0.323 30.081 29.700 0.096 0.000 0.811 629 E HN 0.522 nan 8.360 nan 0.000 0.502 630 G N 0.527 109.280 108.800 -0.078 0.000 2.624 630 G HA2 -0.093 3.870 3.960 0.004 0.000 0.216 630 G HA3 -0.093 3.870 3.960 0.004 0.000 0.216 630 G C 1.513 176.413 174.900 -0.001 0.000 1.274 630 G CA 0.185 45.138 45.100 -0.246 0.000 0.856 630 G HN 0.101 nan 8.290 nan 0.000 0.555 631 I N 0.153 120.724 120.570 0.001 0.000 2.193 631 I HA -0.073 4.099 4.170 0.004 0.000 0.240 631 I C 2.817 178.954 176.117 0.033 0.000 1.084 631 I CA 0.465 61.807 61.300 0.070 0.000 1.365 631 I CB -0.156 37.850 38.000 0.011 0.000 1.064 631 I HN 0.030 nan 8.210 nan 0.000 0.410 632 V N 0.320 120.241 119.914 0.013 0.000 2.283 632 V HA -0.214 3.909 4.120 0.004 0.000 0.243 632 V C 2.264 178.370 176.094 0.019 0.000 1.039 632 V CA 1.703 64.008 62.300 0.009 0.000 1.016 632 V CB -0.630 31.194 31.823 0.002 0.000 0.650 632 V HN 0.382 nan 8.190 nan 0.000 0.449 633 E N 0.263 120.477 120.200 0.025 0.000 2.338 633 E HA -0.110 4.242 4.350 0.004 0.000 0.197 633 E C 0.672 177.298 176.600 0.044 0.000 1.007 633 E CA 0.656 57.073 56.400 0.029 0.000 0.849 633 E CB -0.011 29.705 29.700 0.027 0.000 0.774 633 E HN 0.533 nan 8.360 nan 0.000 0.506 634 N N -0.670 118.075 118.700 0.075 0.000 2.433 634 N HA 0.161 4.903 4.740 0.004 0.000 0.270 634 N C 0.467 176.050 175.510 0.121 0.000 1.354 634 N CA 0.104 53.224 53.050 0.118 0.000 0.889 634 N CB 1.251 39.838 38.487 0.166 0.000 1.285 634 N HN -0.001 nan 8.380 nan 0.000 0.503 635 A N 0.456 123.303 122.820 0.044 0.000 1.978 635 A HA -0.184 4.139 4.320 0.004 0.000 0.220 635 A C 1.769 179.351 177.584 -0.004 0.000 1.170 635 A CA 1.443 53.472 52.037 -0.013 0.000 0.636 635 A CB -0.082 18.910 19.000 -0.013 0.000 0.810 635 A HN 0.080 nan 8.150 nan 0.000 0.448 636 D N -0.318 120.097 120.400 0.026 0.000 2.104 636 D HA -0.138 4.504 4.640 0.004 0.000 0.194 636 D C 2.321 178.646 176.300 0.042 0.000 0.994 636 D CA 2.226 56.243 54.000 0.028 0.000 0.830 636 D CB -0.602 40.217 40.800 0.032 0.000 0.959 636 D HN 0.625 nan 8.370 nan 0.000 0.452 637 T N -1.373 113.231 114.554 0.082 0.000 3.051 637 T HA -0.019 4.334 4.350 0.004 0.000 0.269 637 T C 1.278 176.049 174.700 0.119 0.000 1.127 637 T CA 0.001 62.175 62.100 0.123 0.000 1.107 637 T CB -0.347 68.631 68.868 0.184 0.000 0.898 637 T HN 0.031 nan 8.240 nan 0.000 0.517 638 L N 2.550 123.778 121.223 0.009 0.000 2.483 638 L HA 0.169 4.512 4.340 0.004 0.000 0.276 638 L C 2.057 178.919 176.870 -0.013 0.000 1.213 638 L CA 0.099 54.880 54.840 -0.097 0.000 0.843 638 L CB 0.666 42.584 42.059 -0.234 0.000 1.107 638 L HN 0.438 nan 8.230 nan 0.000 0.487 639 T N -0.640 113.922 114.554 0.015 0.000 3.538 639 T HA 0.012 4.365 4.350 0.004 0.000 0.204 639 T C 1.571 176.216 174.700 -0.091 0.000 0.870 639 T CA 0.036 62.141 62.100 0.010 0.000 1.727 639 T CB -0.046 68.879 68.868 0.094 0.000 1.685 639 T HN 0.477 nan 8.240 nan 0.000 0.454 640 K N 0.209 120.503 120.400 -0.176 0.000 1.973 640 K HA 0.081 4.403 4.320 0.004 0.000 0.212 640 K C -0.215 176.103 176.600 -0.470 0.000 1.047 640 K CA 1.083 57.107 56.287 -0.439 0.000 0.937 640 K CB -0.273 31.798 32.500 -0.715 0.000 0.721 640 K HN 0.379 nan 8.250 nan 0.000 0.440 641 F N 0.380 120.317 119.950 -0.022 0.000 2.411 641 F HA 0.329 4.858 4.527 0.004 0.000 0.352 641 F C 1.149 176.941 175.800 -0.014 0.000 1.123 641 F CA -0.607 57.413 58.000 0.033 0.000 1.044 641 F CB 1.468 40.585 39.000 0.195 0.000 1.135 641 F HN -0.062 nan 8.300 nan 0.000 0.461 642 R N 1.852 122.418 120.500 0.111 0.000 2.236 642 R HA 0.070 4.413 4.340 0.004 0.000 0.208 642 R C 0.680 176.984 176.300 0.007 0.000 1.036 642 R CA 0.387 56.499 56.100 0.020 0.000 1.001 642 R CB 0.204 30.507 30.300 0.005 0.000 0.896 642 R HN 0.590 nan 8.270 nan 0.000 0.464 643 R N 0.567 121.093 120.500 0.043 0.000 2.312 643 R HA 0.175 4.517 4.340 0.004 0.000 0.311 643 R C -0.974 175.315 176.300 -0.018 0.000 1.004 643 R CA -0.086 56.005 56.100 -0.014 0.000 0.902 643 R CB 1.607 31.877 30.300 -0.051 0.000 1.073 643 R HN -0.042 nan 8.270 nan 0.000 0.457 644 S N 2.293 117.984 115.700 -0.014 0.000 2.795 644 S HA 0.625 5.097 4.470 0.004 0.000 0.308 644 S C -1.859 172.822 174.600 0.135 0.000 1.098 644 S CA -0.464 57.776 58.200 0.066 0.000 0.934 644 S CB 0.851 64.064 63.200 0.022 0.000 1.300 644 S HN 0.533 nan 8.310 nan 0.000 0.566 645 Y N -0.466 119.855 120.300 0.036 0.000 2.662 645 Y HA 0.511 5.064 4.550 0.004 0.000 0.334 645 Y C -1.874 174.112 175.900 0.143 0.000 1.185 645 Y CA -0.892 57.201 58.100 -0.013 0.000 1.074 645 Y CB 0.746 39.069 38.460 -0.227 0.000 1.330 645 Y HN 0.594 nan 8.280 nan 0.000 0.458 646 I N 5.397 125.627 120.570 -0.567 0.000 2.465 646 I HA 0.417 4.590 4.170 0.004 0.000 0.291 646 I C -1.069 174.735 176.117 -0.520 0.000 1.014 646 I CA -0.829 60.268 61.300 -0.337 0.000 1.093 646 I CB 1.633 39.490 38.000 -0.239 0.000 1.267 646 I HN 0.308 nan 8.210 nan 0.000 0.431 647 I N 4.989 125.394 120.570 -0.275 0.000 2.371 647 I HA 0.272 4.444 4.170 0.004 0.000 0.282 647 I C 0.274 176.441 176.117 0.083 0.000 1.031 647 I CA -0.004 61.111 61.300 -0.309 0.000 1.180 647 I CB 0.846 38.417 38.000 -0.715 0.000 1.336 647 I HN 0.471 nan 8.210 nan 0.000 0.467 648 S N 5.528 121.275 115.700 0.080 0.000 2.651 648 S HA 0.479 4.951 4.470 0.004 0.000 0.291 648 S C 1.080 175.721 174.600 0.068 0.000 1.141 648 S CA -0.431 57.864 58.200 0.159 0.000 1.027 648 S CB 1.893 65.121 63.200 0.047 0.000 1.043 648 S HN 0.682 nan 8.310 nan 0.000 0.530 649 R N 1.399 121.849 120.500 -0.084 0.000 2.206 649 R HA 0.246 4.588 4.340 0.004 0.000 0.198 649 R C 0.889 177.058 176.300 -0.218 0.000 0.986 649 R CA 0.521 56.272 56.100 -0.581 0.000 1.029 649 R CB -0.079 29.794 30.300 -0.712 0.000 0.966 649 R HN 0.688 nan 8.270 nan 0.000 0.487 650 G N -0.940 107.860 108.800 -0.000 0.000 2.489 650 G HA2 0.605 4.567 3.960 0.004 0.000 0.327 650 G HA3 0.605 4.567 3.960 0.004 0.000 0.327 650 G C -0.877 174.131 174.900 0.180 0.000 1.189 650 G CA -0.191 44.981 45.100 0.121 0.000 0.962 650 G HN 0.310 nan 8.290 nan 0.000 0.486 651 G N -1.533 107.378 108.800 0.185 0.000 2.428 651 G HA2 0.538 4.500 3.960 0.004 0.000 0.304 651 G HA3 0.538 4.500 3.960 0.004 0.000 0.304 651 G C -2.347 172.410 174.900 -0.239 0.000 1.303 651 G CA -0.522 44.638 45.100 0.100 0.000 0.825 651 G HN 1.040 nan 8.290 nan 0.000 0.484 652 Y N -0.142 119.941 120.300 -0.362 0.000 2.588 652 Y HA 0.636 5.188 4.550 0.004 0.000 0.343 652 Y C 0.088 175.797 175.900 -0.318 0.000 1.065 652 Y CA -1.792 56.033 58.100 -0.459 0.000 1.038 652 Y CB 1.325 39.662 38.460 -0.205 0.000 1.297 652 Y HN 0.568 nan 8.280 nan 0.000 0.467 653 I N 4.025 124.122 120.570 -0.788 0.000 3.184 653 I HA -0.003 4.169 4.170 0.004 0.000 0.333 653 I C 1.320 177.175 176.117 -0.436 0.000 1.214 653 I CA 2.469 63.390 61.300 -0.632 0.000 1.465 653 I CB -0.693 36.804 38.000 -0.839 0.000 1.308 653 I HN 0.963 nan 8.210 nan 0.000 0.525 654 G N 5.120 113.767 108.800 -0.255 0.000 2.253 654 G HA2 -0.262 3.701 3.960 0.004 0.000 0.209 654 G HA3 -0.262 3.701 3.960 0.004 0.000 0.209 654 G C 1.085 175.869 174.900 -0.193 0.000 0.997 654 G CA 0.230 45.283 45.100 -0.078 0.000 0.640 654 G HN 0.589 nan 8.290 nan 0.000 0.496 655 N N 0.885 119.522 118.700 -0.106 0.000 2.289 655 N HA -0.141 4.601 4.740 0.004 0.000 0.184 655 N C 2.393 177.706 175.510 -0.329 0.000 1.016 655 N CA 1.590 54.544 53.050 -0.160 0.000 0.872 655 N CB -0.056 38.554 38.487 0.205 0.000 0.973 655 N HN 0.744 nan 8.380 nan 0.000 0.433 656 Q N 0.151 119.751 119.800 -0.334 0.000 2.368 656 Q HA -0.180 4.162 4.340 0.004 0.000 0.210 656 Q C 0.561 176.224 176.000 -0.561 0.000 0.982 656 Q CA 1.474 57.038 55.803 -0.397 0.000 0.884 656 Q CB -0.943 27.544 28.738 -0.419 0.000 0.933 656 Q HN 0.573 nan 8.270 nan 0.000 0.460 657 H N -1.114 117.555 119.070 -0.669 0.000 2.547 657 H HA 0.078 4.637 4.556 0.004 0.000 0.272 657 H C 0.455 175.443 175.328 -0.567 0.000 0.989 657 H CA 1.094 56.725 56.048 -0.695 0.000 1.214 657 H CB 0.193 29.434 29.762 -0.868 0.000 1.389 657 H HN 0.244 nan 8.280 nan 0.000 0.577 658 F N -1.735 118.116 119.950 -0.164 0.000 2.637 658 F HA 0.439 4.968 4.527 0.004 0.000 0.284 658 F C 1.554 177.162 175.800 -0.321 0.000 1.105 658 F CA 0.574 58.442 58.000 -0.221 0.000 1.356 658 F CB 0.369 39.205 39.000 -0.275 0.000 1.096 658 F HN 0.188 nan 8.300 nan 0.000 0.616 659 G N -0.657 107.994 108.800 -0.249 0.000 2.553 659 G HA2 0.373 4.336 3.960 0.004 0.000 0.106 659 G HA3 0.373 4.336 3.960 0.004 0.000 0.106 659 G C -0.336 174.328 174.900 -0.392 0.000 1.126 659 G CA -0.236 44.501 45.100 -0.604 0.000 1.075 659 G HN 0.435 nan 8.290 nan 0.000 0.472 660 G N -0.873 107.604 108.800 -0.537 0.000 2.887 660 G HA2 0.714 4.676 3.960 0.004 0.000 0.277 660 G HA3 0.714 4.676 3.960 0.004 0.000 0.277 660 G C -0.510 174.254 174.900 -0.226 0.000 1.346 660 G CA -0.591 44.356 45.100 -0.254 0.000 1.058 660 G HN 0.588 nan 8.290 nan 0.000 0.535 661 M N -0.711 118.784 119.600 -0.175 0.000 2.575 661 M HA 0.414 4.896 4.480 0.004 0.000 0.284 661 M C -1.786 174.528 176.300 0.022 0.000 1.253 661 M CA -0.436 54.803 55.300 -0.101 0.000 0.861 661 M CB 2.250 34.745 32.600 -0.176 0.000 1.733 661 M HN 0.868 nan 8.290 nan 0.000 0.462 662 W N 0.107 121.336 121.300 -0.119 0.000 2.844 662 W HA 0.726 5.388 4.660 0.003 0.000 0.340 662 W C -1.183 175.346 176.519 0.017 0.000 1.093 662 W CA -1.083 56.295 57.345 0.055 0.000 1.212 662 W CB 0.626 30.202 29.460 0.193 0.000 1.422 662 W HN 0.269 nan 8.180 nan 0.000 0.515 663 V N 6.555 126.431 119.914 -0.064 0.000 1.935 663 V HA 0.274 4.396 4.120 0.004 0.000 0.262 663 V C 1.416 177.317 176.094 -0.322 0.000 1.726 663 V CA 0.842 63.034 62.300 -0.180 0.000 1.656 663 V CB -1.530 30.345 31.823 0.087 0.000 1.532 663 V HN 1.212 nan 8.190 nan 0.000 0.509 664 G N 2.848 110.915 108.800 -1.222 0.000 2.578 664 G HA2 -0.285 3.677 3.960 0.004 0.000 0.313 664 G HA3 -0.285 3.677 3.960 0.004 0.000 0.313 664 G C -0.138 174.681 174.900 -0.135 0.000 1.324 664 G CA 0.331 44.724 45.100 -1.178 0.000 0.955 664 G HN 0.596 nan 8.290 nan 0.000 0.541 665 D N 2.447 122.897 120.400 0.083 0.000 2.468 665 D HA 0.318 4.960 4.640 0.004 0.000 0.218 665 D C 0.986 177.342 176.300 0.094 0.000 1.155 665 D CA -0.104 54.003 54.000 0.179 0.000 0.924 665 D CB -0.020 40.928 40.800 0.248 0.000 1.029 665 D HN 0.574 nan 8.370 nan 0.000 0.515 666 N N 0.061 118.782 118.700 0.035 0.000 2.418 666 N HA 0.313 5.055 4.740 0.004 0.000 0.283 666 N C -0.143 175.130 175.510 -0.395 0.000 1.267 666 N CA -0.530 52.295 53.050 -0.375 0.000 0.975 666 N CB 0.826 39.285 38.487 -0.047 0.000 1.167 666 N HN 0.088 nan 8.380 nan 0.000 0.581 667 S N -2.802 112.299 115.700 -0.998 0.000 2.740 667 S HA 0.544 5.016 4.470 0.004 0.000 0.300 667 S C -1.059 173.313 174.600 -0.380 0.000 1.147 667 S CA -0.691 57.109 58.200 -0.667 0.000 0.871 667 S CB 0.660 63.443 63.200 -0.695 0.000 1.173 667 S HN 0.555 nan 8.310 nan 0.000 0.510 668 T N 2.182 116.661 114.554 -0.126 0.000 3.471 668 T HA 0.476 4.828 4.350 0.004 0.000 0.355 668 T C -0.282 174.365 174.700 -0.089 0.000 1.775 668 T CA -0.354 61.684 62.100 -0.104 0.000 1.305 668 T CB -0.605 68.092 68.868 -0.285 0.000 1.171 668 T HN 0.685 nan 8.240 nan 0.000 0.776 669 T N -2.291 112.377 114.554 0.190 0.000 2.883 669 T HA 0.448 4.800 4.350 0.004 0.000 0.301 669 T C 1.297 176.060 174.700 0.106 0.000 1.158 669 T CA -0.676 61.530 62.100 0.177 0.000 1.007 669 T CB 1.648 70.693 68.868 0.295 0.000 1.186 669 T HN -0.073 nan 8.240 nan 0.000 0.499 670 S N 1.373 117.067 115.700 -0.009 0.000 2.378 670 S HA -0.217 4.256 4.470 0.004 0.000 0.229 670 S C 1.862 176.269 174.600 -0.321 0.000 1.052 670 S CA 2.321 60.390 58.200 -0.217 0.000 1.084 670 S CB -0.978 62.057 63.200 -0.275 0.000 0.950 670 S HN 0.858 nan 8.310 nan 0.000 0.440 671 N N -0.395 118.162 118.700 -0.239 0.000 2.322 671 N HA -0.172 4.570 4.740 0.004 0.000 0.189 671 N C 1.063 176.278 175.510 -0.491 0.000 1.012 671 N CA 1.359 54.226 53.050 -0.304 0.000 0.880 671 N CB -0.208 38.145 38.487 -0.224 0.000 0.967 671 N HN 0.476 nan 8.380 nan 0.000 0.439 672 Y N 0.134 120.328 120.300 -0.176 0.000 2.500 672 Y HA 0.225 4.777 4.550 0.003 0.000 0.270 672 Y C 1.756 177.540 175.900 -0.193 0.000 1.134 672 Y CA 0.008 58.049 58.100 -0.099 0.000 1.293 672 Y CB 0.209 38.701 38.460 0.053 0.000 1.063 672 Y HN 0.058 nan 8.280 nan 0.000 0.534 673 I N -0.513 119.875 120.570 -0.304 0.000 2.277 673 I HA -0.268 3.904 4.170 0.004 0.000 0.243 673 I C 1.993 177.963 176.117 -0.246 0.000 1.094 673 I CA 1.175 62.173 61.300 -0.503 0.000 1.393 673 I CB -0.365 37.267 38.000 -0.613 0.000 1.078 673 I HN 0.168 nan 8.210 nan 0.000 0.417 674 Q N 0.394 120.056 119.800 -0.231 0.000 2.077 674 Q HA -0.241 4.101 4.340 0.004 0.000 0.206 674 Q C 2.261 178.233 176.000 -0.047 0.000 0.989 674 Q CA 1.822 57.550 55.803 -0.125 0.000 0.853 674 Q CB -0.194 28.474 28.738 -0.117 0.000 0.907 674 Q HN 0.487 nan 8.270 nan 0.000 0.418 675 M N -0.324 119.222 119.600 -0.091 0.000 2.394 675 M HA -0.083 4.399 4.480 0.004 0.000 0.264 675 M C 2.163 178.510 176.300 0.077 0.000 1.073 675 M CA 0.862 56.142 55.300 -0.034 0.000 1.111 675 M CB -0.026 32.478 32.600 -0.161 0.000 1.401 675 M HN 0.388 nan 8.290 nan 0.000 0.448 676 M N 0.159 119.813 119.600 0.091 0.000 2.193 676 M HA -0.117 4.365 4.480 0.004 0.000 0.265 676 M C 1.716 178.044 176.300 0.046 0.000 1.071 676 M CA 1.730 57.111 55.300 0.136 0.000 1.140 676 M CB -0.052 32.656 32.600 0.181 0.000 1.369 676 M HN 0.132 nan 8.290 nan 0.000 0.423 677 I N 1.102 121.659 120.570 -0.021 0.000 2.133 677 I HA -0.203 3.970 4.170 0.004 0.000 0.238 677 I C 2.851 178.924 176.117 -0.072 0.000 1.074 677 I CA 1.263 62.497 61.300 -0.109 0.000 1.342 677 I CB -0.816 37.121 38.000 -0.105 0.000 1.053 677 I HN 0.448 nan 8.210 nan 0.000 0.404 678 A N 1.106 123.926 122.820 0.001 0.000 1.869 678 A HA -0.334 3.988 4.320 0.004 0.000 0.218 678 A C 2.048 179.653 177.584 0.035 0.000 1.203 678 A CA 2.733 54.796 52.037 0.044 0.000 0.638 678 A CB -1.454 17.596 19.000 0.084 0.000 0.831 678 A HN 0.550 nan 8.150 nan 0.000 0.450 679 N N -0.470 118.249 118.700 0.031 0.000 2.094 679 N HA -0.213 4.530 4.740 0.004 0.000 0.191 679 N C 1.880 177.394 175.510 0.007 0.000 1.023 679 N CA 1.234 54.296 53.050 0.021 0.000 0.857 679 N CB -0.200 38.304 38.487 0.028 0.000 1.013 679 N HN 0.564 nan 8.380 nan 0.000 0.426 680 N N 1.277 119.973 118.700 -0.007 0.000 2.135 680 N HA -0.044 4.698 4.740 0.004 0.000 0.186 680 N C 1.689 177.176 175.510 -0.039 0.000 1.027 680 N CA 0.854 53.889 53.050 -0.026 0.000 0.849 680 N CB -0.004 38.446 38.487 -0.062 0.000 1.002 680 N HN 0.196 nan 8.380 nan 0.000 0.425 681 I N 1.357 121.895 120.570 -0.053 0.000 2.179 681 I HA -0.262 3.911 4.170 0.004 0.000 0.242 681 I C 1.851 178.000 176.117 0.053 0.000 1.088 681 I CA 0.953 62.252 61.300 -0.002 0.000 1.357 681 I CB -0.305 37.709 38.000 0.024 0.000 1.051 681 I HN 0.108 nan 8.210 nan 0.000 0.409 682 N N 0.055 118.797 118.700 0.070 0.000 2.188 682 N HA -0.097 4.645 4.740 0.004 0.000 0.184 682 N C 1.803 177.376 175.510 0.105 0.000 1.018 682 N CA 1.212 54.330 53.050 0.114 0.000 0.858 682 N CB -0.166 38.390 38.487 0.115 0.000 0.989 682 N HN 0.238 nan 8.380 nan 0.000 0.426 683 M N 0.653 120.273 119.600 0.033 0.000 2.254 683 M HA 0.000 4.482 4.480 0.004 0.000 0.265 683 M C 1.535 177.818 176.300 -0.030 0.000 1.066 683 M CA 0.620 55.899 55.300 -0.036 0.000 1.123 683 M CB -0.832 31.680 32.600 -0.146 0.000 1.388 683 M HN 0.188 nan 8.290 nan 0.000 0.425 684 N N 1.101 119.798 118.700 -0.004 0.000 2.061 684 N HA -0.176 4.566 4.740 0.004 0.000 0.193 684 N C 1.598 177.128 175.510 0.033 0.000 1.030 684 N CA 1.924 54.974 53.050 -0.001 0.000 0.856 684 N CB -0.210 38.282 38.487 0.008 0.000 1.023 684 N HN 0.506 nan 8.380 nan 0.000 0.424 685 M N -1.254 118.410 119.600 0.108 0.000 2.618 685 M HA 0.202 4.684 4.480 0.004 0.000 0.240 685 M C 0.841 177.349 176.300 0.347 0.000 1.123 685 M CA 0.811 56.237 55.300 0.211 0.000 1.060 685 M CB 0.389 33.126 32.600 0.230 0.000 1.535 685 M HN -0.195 nan 8.290 nan 0.000 0.507 686 S N -0.179 115.640 115.700 0.198 0.000 2.597 686 S HA 0.176 4.648 4.470 0.004 0.000 0.224 686 S C 0.578 175.083 174.600 -0.159 0.000 0.955 686 S CA -0.193 58.043 58.200 0.060 0.000 0.933 686 S CB -0.586 62.741 63.200 0.212 0.000 0.788 686 S HN 0.727 nan 8.310 nan 0.000 0.488 687 C N 1.591 120.805 119.300 -0.145 0.000 4.497 687 C HA -0.103 4.359 4.460 0.004 0.000 0.292 687 C C -0.045 174.816 174.990 -0.216 0.000 1.366 687 C CA -0.212 58.663 59.018 -0.238 0.000 1.987 687 C CB -2.260 25.214 27.740 -0.444 0.000 1.241 687 C HN 0.579 nan 8.230 nan 0.000 0.788 688 L N 2.187 123.317 121.223 -0.155 0.000 2.353 688 L HA 0.390 4.732 4.340 0.004 0.000 0.270 688 L C -1.134 175.661 176.870 -0.125 0.000 1.003 688 L CA -1.282 53.455 54.840 -0.172 0.000 0.862 688 L CB 1.589 43.487 42.059 -0.268 0.000 1.221 688 L HN -0.035 nan 8.230 nan 0.000 0.430 689 P HA -0.015 nan 4.420 nan 0.000 0.217 689 P C 0.693 178.007 177.300 0.024 0.000 1.153 689 P CA 0.399 63.474 63.100 -0.041 0.000 0.843 689 P CB 1.015 32.681 31.700 -0.056 0.000 0.794 690 L N 1.245 122.485 121.223 0.029 0.000 2.375 690 L HA 0.324 4.666 4.340 0.004 0.000 0.276 690 L C -0.298 176.621 176.870 0.081 0.000 1.162 690 L CA -0.360 54.542 54.840 0.103 0.000 0.991 690 L CB 0.199 42.326 42.059 0.112 0.000 1.315 690 L HN -0.186 nan 8.230 nan 0.000 0.431 691 V N 3.329 123.338 119.914 0.159 0.000 3.114 691 V HA 1.015 5.137 4.120 0.004 0.000 0.308 691 V C -0.406 175.887 176.094 0.331 0.000 1.168 691 V CA 0.121 62.520 62.300 0.164 0.000 1.015 691 V CB 2.314 34.157 31.823 0.033 0.000 1.050 691 V HN 0.643 nan 8.190 nan 0.000 0.433 692 G N 2.107 111.153 108.800 0.410 0.000 2.368 692 G HA2 0.568 4.530 3.960 0.004 0.000 0.293 692 G HA3 0.568 4.530 3.960 0.004 0.000 0.293 692 G C -1.499 173.698 174.900 0.495 0.000 1.467 692 G CA -0.056 45.321 45.100 0.462 0.000 0.804 692 G HN 1.091 nan 8.290 nan 0.000 0.535 693 S N 0.469 116.431 115.700 0.436 0.000 2.532 693 S HA 0.509 4.982 4.470 0.004 0.000 0.299 693 S C -1.009 173.842 174.600 0.418 0.000 1.105 693 S CA -0.862 57.619 58.200 0.468 0.000 1.018 693 S CB 1.740 65.209 63.200 0.448 0.000 1.021 693 S HN 0.595 nan 8.310 nan 0.000 0.483 694 D N 2.516 123.172 120.400 0.426 0.000 3.061 694 D HA -0.071 4.572 4.640 0.004 0.000 0.226 694 D C 0.184 176.547 176.300 0.106 0.000 1.168 694 D CA 0.717 54.877 54.000 0.265 0.000 0.822 694 D CB 0.034 41.049 40.800 0.358 0.000 1.152 694 D HN 0.320 nan 8.370 nan 0.000 0.555 695 I N 1.782 122.372 120.570 0.033 0.000 2.517 695 I HA 0.124 4.296 4.170 0.004 0.000 0.285 695 I C 1.845 177.730 176.117 -0.387 0.000 1.106 695 I CA 0.584 61.841 61.300 -0.073 0.000 1.402 695 I CB 0.134 38.160 38.000 0.043 0.000 1.399 695 I HN 0.709 nan 8.210 nan 0.000 0.535 696 G N 4.556 112.652 108.800 -1.173 0.000 2.217 696 G HA2 -0.089 3.873 3.960 0.004 0.000 0.246 696 G HA3 -0.089 3.873 3.960 0.004 0.000 0.246 696 G C 0.658 175.042 174.900 -0.860 0.000 0.990 696 G CA 0.259 44.747 45.100 -1.020 0.000 0.627 696 G HN 1.638 nan 8.290 nan 0.000 0.522 697 G N -1.561 106.828 108.800 -0.684 0.000 2.767 697 G HA2 0.153 4.115 3.960 0.004 0.000 0.686 697 G HA3 0.153 4.115 3.960 0.004 0.000 0.686 697 G C 0.190 175.084 174.900 -0.011 0.000 1.213 697 G CA 0.234 45.215 45.100 -0.197 0.000 0.803 697 G HN 1.568 nan 8.290 nan 0.000 0.603 698 F N 2.240 122.166 119.950 -0.040 0.000 2.123 698 F HA 0.230 4.759 4.527 0.004 0.000 0.289 698 F C 2.195 178.034 175.800 0.066 0.000 1.099 698 F CA 2.054 60.074 58.000 0.033 0.000 1.234 698 F CB -0.330 38.740 39.000 0.117 0.000 1.034 698 F HN 0.976 nan 8.300 nan 0.000 0.479 699 T N -0.238 114.281 114.554 -0.058 0.000 2.788 699 T HA 0.311 4.663 4.350 0.004 0.000 0.287 699 T C 0.381 175.061 174.700 -0.033 0.000 1.007 699 T CA -0.528 61.499 62.100 -0.121 0.000 1.005 699 T CB 0.777 69.674 68.868 0.049 0.000 1.012 699 T HN 0.214 nan 8.240 nan 0.000 0.530 700 S N 1.109 116.811 115.700 0.004 0.000 2.563 700 S HA 0.171 4.644 4.470 0.004 0.000 0.284 700 S C 0.355 175.020 174.600 0.108 0.000 1.331 700 S CA -0.262 57.967 58.200 0.049 0.000 1.047 700 S CB -0.159 63.049 63.200 0.013 0.000 0.859 700 S HN 0.932 nan 8.310 nan 0.000 0.514 701 Y N -0.386 119.905 120.300 -0.015 0.000 2.589 701 Y HA 0.422 4.975 4.550 0.005 0.000 0.271 701 Y C 0.358 176.276 175.900 0.031 0.000 1.107 701 Y CA -0.612 57.497 58.100 0.015 0.000 1.273 701 Y CB -0.044 38.431 38.460 0.026 0.000 1.266 701 Y HN 0.452 nan 8.280 nan 0.000 0.504 702 D N 2.305 122.241 120.400 -0.773 0.000 2.338 702 D HA 0.026 4.668 4.640 0.004 0.000 0.255 702 D C 0.348 176.512 176.300 -0.226 0.000 1.237 702 D CA 0.215 53.885 54.000 -0.549 0.000 0.883 702 D CB 0.555 40.938 40.800 -0.694 0.000 1.087 702 D HN 0.329 nan 8.370 nan 0.000 0.485 703 N N 3.376 122.014 118.700 -0.102 0.000 2.223 703 N HA -0.144 4.599 4.740 0.004 0.000 0.185 703 N C 1.194 176.670 175.510 -0.058 0.000 1.016 703 N CA 0.752 53.773 53.050 -0.048 0.000 0.863 703 N CB 0.164 38.649 38.487 -0.003 0.000 0.983 703 N HN 0.592 nan 8.380 nan 0.000 0.429 704 E N 0.417 120.573 120.200 -0.072 0.000 2.150 704 E HA -0.081 4.272 4.350 0.004 0.000 0.193 704 E C 0.218 176.766 176.600 -0.087 0.000 0.985 704 E CA 0.774 57.133 56.400 -0.067 0.000 0.814 704 E CB -0.244 29.419 29.700 -0.062 0.000 0.752 704 E HN 0.242 nan 8.360 nan 0.000 0.466 705 N N 0.119 118.743 118.700 -0.126 0.000 3.049 705 N HA -0.046 4.696 4.740 0.004 0.000 0.241 705 N C 0.480 175.882 175.510 -0.181 0.000 1.323 705 N CA -0.012 52.953 53.050 -0.143 0.000 0.824 705 N CB 0.764 39.162 38.487 -0.148 0.000 1.557 705 N HN -0.023 nan 8.380 nan 0.000 0.612 706 Q N 1.702 121.421 119.800 -0.134 0.000 2.268 706 Q HA -0.161 4.181 4.340 0.004 0.000 0.210 706 Q C 0.630 176.552 176.000 -0.130 0.000 0.988 706 Q CA 1.248 56.984 55.803 -0.111 0.000 0.883 706 Q CB -0.063 28.674 28.738 -0.003 0.000 0.911 706 Q HN 0.490 nan 8.270 nan 0.000 0.430 707 R N 0.715 121.113 120.500 -0.171 0.000 2.235 707 R HA 0.054 4.396 4.340 0.004 0.000 0.213 707 R C 0.247 176.431 176.300 -0.192 0.000 1.059 707 R CA 0.742 56.731 56.100 -0.185 0.000 0.997 707 R CB -0.093 30.009 30.300 -0.331 0.000 0.884 707 R HN 0.192 nan 8.270 nan 0.000 0.462 708 T N 3.723 118.143 114.554 -0.223 0.000 2.871 708 T HA 0.063 4.415 4.350 0.004 0.000 0.296 708 T C -2.249 172.365 174.700 -0.145 0.000 0.998 708 T CA -0.806 61.167 62.100 -0.210 0.000 1.162 708 T CB 0.863 69.581 68.868 -0.249 0.000 0.947 708 T HN 0.007 nan 8.240 nan 0.000 0.536 709 P HA 0.211 nan 4.420 nan 0.000 0.276 709 P C 0.222 177.612 177.300 0.150 0.000 1.261 709 P CA -0.970 62.017 63.100 -0.190 0.000 0.800 709 P CB 0.410 31.653 31.700 -0.762 0.000 1.066 710 C N 1.726 121.069 119.300 0.071 0.000 2.550 710 C HA 0.128 4.590 4.460 0.004 0.000 0.406 710 C C 1.319 176.360 174.990 0.084 0.000 1.366 710 C CA 0.710 59.699 59.018 -0.048 0.000 1.712 710 C CB -1.455 26.203 27.740 -0.137 0.000 2.613 710 C HN 0.786 nan 8.230 nan 0.000 0.608 711 T N 3.148 117.714 114.554 0.020 0.000 2.788 711 T HA 0.414 4.767 4.350 0.004 0.000 0.287 711 T C 1.357 176.075 174.700 0.029 0.000 1.007 711 T CA 0.111 62.272 62.100 0.102 0.000 1.005 711 T CB 1.167 70.082 68.868 0.078 0.000 1.012 711 T HN 0.984 nan 8.240 nan 0.000 0.530 712 G N -0.084 108.773 108.800 0.096 0.000 2.421 712 G HA2 -0.219 3.743 3.960 0.004 0.000 0.216 712 G HA3 -0.219 3.743 3.960 0.004 0.000 0.216 712 G C 1.273 176.125 174.900 -0.082 0.000 1.171 712 G CA 0.937 46.038 45.100 0.003 0.000 0.775 712 G HN 0.933 nan 8.290 nan 0.000 0.543 713 D N 0.186 120.577 120.400 -0.015 0.000 2.097 713 D HA -0.084 4.559 4.640 0.004 0.000 0.197 713 D C 2.508 178.791 176.300 -0.028 0.000 0.984 713 D CA 0.797 54.790 54.000 -0.012 0.000 0.826 713 D CB -0.055 40.760 40.800 0.024 0.000 0.973 713 D HN 0.207 nan 8.370 nan 0.000 0.460 714 L N 0.452 121.660 121.223 -0.026 0.000 2.131 714 L HA -0.140 4.202 4.340 0.004 0.000 0.210 714 L C 2.426 179.315 176.870 0.032 0.000 1.092 714 L CA 1.133 55.975 54.840 0.002 0.000 0.759 714 L CB -0.444 41.602 42.059 -0.022 0.000 0.903 714 L HN 0.069 nan 8.230 nan 0.000 0.435 715 M N -1.570 117.956 119.600 -0.123 0.000 2.099 715 M HA -0.131 4.351 4.480 0.004 0.000 0.262 715 M C 2.089 178.335 176.300 -0.091 0.000 1.067 715 M CA 1.857 57.038 55.300 -0.200 0.000 1.124 715 M CB -0.599 31.627 32.600 -0.624 0.000 1.353 715 M HN 0.053 nan 8.290 nan 0.000 0.410 716 V N 0.796 120.639 119.914 -0.118 0.000 2.231 716 V HA -0.332 3.791 4.120 0.004 0.000 0.248 716 V C 2.630 178.668 176.094 -0.094 0.000 1.054 716 V CA 2.007 64.251 62.300 -0.094 0.000 1.015 716 V CB -0.828 30.945 31.823 -0.084 0.000 0.638 716 V HN 0.420 nan 8.190 nan 0.000 0.444 717 R N -1.305 119.160 120.500 -0.058 0.000 2.120 717 R HA -0.144 4.198 4.340 0.004 0.000 0.234 717 R C 2.049 178.338 176.300 -0.019 0.000 1.123 717 R CA 1.413 57.475 56.100 -0.064 0.000 0.975 717 R CB -1.056 29.215 30.300 -0.048 0.000 0.866 717 R HN 0.594 nan 8.270 nan 0.000 0.446 718 Y N 0.378 120.651 120.300 -0.046 0.000 2.242 718 Y HA -0.132 4.420 4.550 0.004 0.000 0.291 718 Y C 2.401 178.349 175.900 0.081 0.000 1.137 718 Y CA 0.947 59.057 58.100 0.016 0.000 1.181 718 Y CB -0.124 38.337 38.460 0.003 0.000 0.989 718 Y HN -0.247 nan 8.280 nan 0.000 0.527 719 V N -0.246 119.810 119.914 0.237 0.000 2.379 719 V HA -0.309 3.813 4.120 0.004 0.000 0.245 719 V C 2.064 178.260 176.094 0.169 0.000 1.044 719 V CA 1.970 64.440 62.300 0.282 0.000 1.036 719 V CB -0.495 31.437 31.823 0.181 0.000 0.664 719 V HN 0.407 nan 8.190 nan 0.000 0.453 720 Q N -0.101 119.639 119.800 -0.099 0.000 2.030 720 Q HA -0.213 4.130 4.340 0.004 0.000 0.204 720 Q C 2.410 178.425 176.000 0.025 0.000 0.986 720 Q CA 1.986 57.637 55.803 -0.254 0.000 0.843 720 Q CB -0.494 27.925 28.738 -0.532 0.000 0.904 720 Q HN 0.654 nan 8.270 nan 0.000 0.420 721 A N 0.502 123.357 122.820 0.058 0.000 1.978 721 A HA -0.121 4.201 4.320 0.004 0.000 0.220 721 A C 2.045 179.749 177.584 0.200 0.000 1.170 721 A CA 1.707 53.823 52.037 0.130 0.000 0.636 721 A CB -0.706 18.313 19.000 0.032 0.000 0.810 721 A HN 0.486 nan 8.150 nan 0.000 0.448 722 G N -1.474 107.472 108.800 0.244 0.000 3.126 722 G HA2 0.100 4.062 3.960 0.004 0.000 0.224 722 G HA3 0.100 4.062 3.960 0.004 0.000 0.224 722 G C 1.195 176.113 174.900 0.030 0.000 1.142 722 G CA 0.795 46.075 45.100 0.298 0.000 0.759 722 G HN 0.877 nan 8.290 nan 0.000 0.550 723 C N -0.961 118.264 119.300 -0.125 0.000 2.522 723 C HA 0.458 4.921 4.460 0.004 0.000 0.271 723 C C 1.594 176.456 174.990 -0.213 0.000 1.425 723 C CA -0.134 58.550 59.018 -0.557 0.000 1.751 723 C CB -1.043 26.662 27.740 -0.059 0.000 1.775 723 C HN 0.225 nan 8.230 nan 0.000 0.557 724 L N -0.079 121.178 121.223 0.057 0.000 3.298 724 L HA 0.391 4.733 4.340 0.004 0.000 0.296 724 L C 0.218 177.215 176.870 0.212 0.000 1.237 724 L CA -0.137 54.801 54.840 0.164 0.000 1.038 724 L CB 0.047 42.278 42.059 0.288 0.000 1.423 724 L HN 0.209 nan 8.230 nan 0.000 0.605 725 L N 0.938 122.277 121.223 0.194 0.000 2.417 725 L HA 0.180 4.522 4.340 0.004 0.000 0.268 725 L C -1.128 175.914 176.870 0.287 0.000 1.158 725 L CA -1.532 53.430 54.840 0.204 0.000 0.819 725 L CB 0.584 42.748 42.059 0.176 0.000 1.112 725 L HN -0.190 nan 8.230 nan 0.000 0.458 726 P HA -0.184 nan 4.420 nan 0.000 0.216 726 P C -0.380 177.267 177.300 0.578 0.000 1.153 726 P CA 1.289 64.678 63.100 0.483 0.000 0.858 726 P CB 0.144 32.083 31.700 0.397 0.000 0.789 727 W N 0.307 121.774 121.300 0.279 0.000 2.411 727 W HA 0.451 5.113 4.660 0.003 0.000 0.317 727 W C -1.866 174.889 176.519 0.393 0.000 1.030 727 W CA -0.942 56.559 57.345 0.260 0.000 1.239 727 W CB 0.943 30.502 29.460 0.165 0.000 1.304 727 W HN -0.252 nan 8.180 nan 0.000 0.437 728 F N 8.162 127.898 119.950 -0.357 0.000 2.532 728 F HA 0.468 4.998 4.527 0.004 0.000 0.365 728 F C -1.061 174.551 175.800 -0.313 0.000 1.112 728 F CA -0.959 56.962 58.000 -0.131 0.000 1.082 728 F CB 0.487 39.593 39.000 0.176 0.000 1.319 728 F HN 0.447 nan 8.300 nan 0.000 0.457 729 R N 4.434 124.568 120.500 -0.610 0.000 2.574 729 R HA 0.345 4.687 4.340 0.004 0.000 0.288 729 R C -1.452 174.681 176.300 -0.279 0.000 1.004 729 R CA -0.692 55.044 56.100 -0.606 0.000 0.895 729 R CB 1.267 31.087 30.300 -0.800 0.000 1.191 729 R HN 0.555 nan 8.270 nan 0.000 0.444 730 N N 3.766 122.350 118.700 -0.193 0.000 2.439 730 N HA 0.111 4.854 4.740 0.004 0.000 0.249 730 N C -1.589 173.996 175.510 0.124 0.000 1.003 730 N CA 0.096 53.163 53.050 0.027 0.000 0.942 730 N CB 0.609 39.213 38.487 0.194 0.000 1.115 730 N HN 0.696 nan 8.380 nan 0.000 0.505 731 H N 3.414 122.531 119.070 0.078 0.000 2.930 731 H HA 0.359 4.918 4.556 0.004 0.000 0.371 731 H C -1.506 174.076 175.328 0.424 0.000 1.169 731 H CA -0.585 55.568 56.048 0.175 0.000 1.157 731 H CB 1.653 31.378 29.762 -0.061 0.000 1.789 731 H HN 0.610 nan 8.280 nan 0.000 0.547 732 Y N 0.963 121.035 120.300 -0.380 0.000 2.656 732 Y HA 0.284 4.836 4.550 0.003 0.000 0.334 732 Y C -1.667 173.997 175.900 -0.394 0.000 1.179 732 Y CA -1.229 56.685 58.100 -0.310 0.000 1.050 732 Y CB 1.080 39.432 38.460 -0.180 0.000 1.308 732 Y HN 0.465 nan 8.280 nan 0.000 0.456 733 D N 2.185 122.127 120.400 -0.764 0.000 2.336 733 D HA 0.178 4.821 4.640 0.004 0.000 0.249 733 D C -0.697 175.458 176.300 -0.241 0.000 1.213 733 D CA -0.122 53.541 54.000 -0.561 0.000 0.870 733 D CB 0.622 40.975 40.800 -0.744 0.000 1.076 733 D HN 0.683 nan 8.370 nan 0.000 0.483 734 R N 4.285 124.575 120.500 -0.350 0.000 2.255 734 R HA 0.222 4.564 4.340 0.004 0.000 0.326 734 R C -0.826 175.404 176.300 -0.116 0.000 0.986 734 R CA -0.883 55.128 56.100 -0.148 0.000 0.847 734 R CB 0.495 30.630 30.300 -0.276 0.000 1.111 734 R HN 0.515 nan 8.270 nan 0.000 0.452 735 W N 7.865 129.096 121.300 -0.115 0.000 2.381 735 W HA 0.223 4.884 4.660 0.002 0.000 0.321 735 W C -0.433 176.005 176.519 -0.135 0.000 1.407 735 W CA -0.010 57.249 57.345 -0.145 0.000 1.274 735 W CB 0.315 29.725 29.460 -0.082 0.000 1.310 735 W HN 0.561 nan 8.180 nan 0.000 0.551 736 I N 1.692 121.828 120.570 -0.723 0.000 3.074 736 I HA 0.366 4.538 4.170 0.004 0.000 0.310 736 I C 0.899 176.265 176.117 -1.253 0.000 1.153 736 I CA -1.001 59.894 61.300 -0.674 0.000 0.993 736 I CB 2.079 39.862 38.000 -0.362 0.000 1.237 736 I HN 0.480 nan 8.210 nan 0.000 0.443 737 E N 1.334 121.095 120.200 -0.731 0.000 2.085 737 E HA -0.212 4.140 4.350 0.004 0.000 0.194 737 E C 1.732 178.065 176.600 -0.446 0.000 0.994 737 E CA 2.150 58.231 56.400 -0.531 0.000 0.801 737 E CB 0.134 29.739 29.700 -0.159 0.000 0.743 737 E HN 0.806 nan 8.360 nan 0.000 0.453 738 S N -0.394 115.084 115.700 -0.370 0.000 2.603 738 S HA -0.015 4.457 4.470 0.004 0.000 0.220 738 S C 0.691 175.093 174.600 -0.330 0.000 0.967 738 S CA 0.061 58.096 58.200 -0.275 0.000 0.920 738 S CB 0.189 63.271 63.200 -0.197 0.000 0.773 738 S HN 0.097 nan 8.310 nan 0.000 0.529 739 K N 1.798 121.891 120.400 -0.513 0.000 2.897 739 K HA 0.075 4.398 4.320 0.004 0.000 0.243 739 K C -1.594 174.512 176.600 -0.824 0.000 1.189 739 K CA -0.173 55.770 56.287 -0.574 0.000 1.032 739 K CB 0.380 32.476 32.500 -0.674 0.000 1.302 739 K HN 0.190 nan 8.250 nan 0.000 0.568 740 D N 3.078 123.106 120.400 -0.620 0.000 3.032 740 D HA 0.012 4.654 4.640 0.004 0.000 0.241 740 D C -0.403 175.787 176.300 -0.185 0.000 1.196 740 D CA 0.147 53.730 54.000 -0.695 0.000 0.927 740 D CB -0.498 40.205 40.800 -0.161 0.000 1.129 740 D HN 0.583 nan 8.370 nan 0.000 0.458 741 H N -2.731 116.198 119.070 -0.235 0.000 2.865 741 H HA 0.754 5.312 4.556 0.003 0.000 0.362 741 H C 0.295 175.658 175.328 0.059 0.000 1.114 741 H CA -0.635 55.450 56.048 0.063 0.000 1.208 741 H CB 1.856 31.648 29.762 0.049 0.000 1.727 741 H HN 0.228 nan 8.280 nan 0.000 0.534 742 G N 1.296 110.266 108.800 0.284 0.000 2.293 742 G HA2 0.078 4.040 3.960 0.004 0.000 0.282 742 G HA3 0.078 4.040 3.960 0.004 0.000 0.282 742 G C -1.550 173.451 174.900 0.168 0.000 1.299 742 G CA -1.085 44.106 45.100 0.152 0.000 1.018 742 G HN 0.702 nan 8.290 nan 0.000 0.478 743 K N -0.495 119.990 120.400 0.143 0.000 2.123 743 K HA 0.490 4.812 4.320 0.004 0.000 0.248 743 K C 0.276 176.959 176.600 0.137 0.000 0.969 743 K CA -0.751 55.587 56.287 0.084 0.000 0.882 743 K CB 1.411 33.917 32.500 0.012 0.000 1.080 743 K HN 0.347 nan 8.250 nan 0.000 0.441 744 D N -0.014 120.370 120.400 -0.027 0.000 2.183 744 D HA -0.035 4.607 4.640 0.004 0.000 0.203 744 D C -0.212 176.193 176.300 0.175 0.000 0.969 744 D CA 1.498 55.524 54.000 0.044 0.000 0.842 744 D CB 0.101 40.874 40.800 -0.045 0.000 0.957 744 D HN 0.455 nan 8.370 nan 0.000 0.484 745 Y N -3.702 116.567 120.300 -0.052 0.000 2.814 745 Y HA 0.422 4.974 4.550 0.004 0.000 0.348 745 Y C -0.138 175.389 175.900 -0.622 0.000 1.245 745 Y CA -0.886 57.078 58.100 -0.226 0.000 1.086 745 Y CB 0.706 39.033 38.460 -0.222 0.000 1.373 745 Y HN -0.251 nan 8.280 nan 0.000 0.451 746 Q N -0.437 119.028 119.800 -0.558 0.000 1.784 746 Q HA 0.227 4.569 4.340 0.004 0.000 0.191 746 Q C -1.025 174.928 176.000 -0.080 0.000 0.694 746 Q CA -0.060 55.449 55.803 -0.490 0.000 0.794 746 Q CB 0.533 28.603 28.738 -1.114 0.000 1.209 746 Q HN 0.759 nan 8.270 nan 0.000 0.406 747 E N 1.292 121.386 120.200 -0.176 0.000 2.534 747 E HA -0.108 4.244 4.350 0.004 0.000 0.264 747 E C 0.813 177.267 176.600 -0.243 0.000 0.981 747 E CA 0.384 56.627 56.400 -0.262 0.000 0.948 747 E CB 0.456 29.629 29.700 -0.878 0.000 0.934 747 E HN 0.313 nan 8.360 nan 0.000 0.459 748 L N 2.176 123.355 121.223 -0.073 0.000 2.079 748 L HA -0.216 4.127 4.340 0.004 0.000 0.210 748 L C 1.902 178.688 176.870 -0.140 0.000 1.081 748 L CA 1.342 56.166 54.840 -0.027 0.000 0.752 748 L CB -0.585 41.410 42.059 -0.106 0.000 0.896 748 L HN 0.773 nan 8.230 nan 0.000 0.433 749 Y N -2.882 117.101 120.300 -0.528 0.000 2.578 749 Y HA 0.095 4.647 4.550 0.004 0.000 0.297 749 Y C 1.959 177.722 175.900 -0.227 0.000 1.176 749 Y CA 0.052 57.952 58.100 -0.332 0.000 1.315 749 Y CB -0.305 37.812 38.460 -0.571 0.000 1.031 749 Y HN 0.053 nan 8.280 nan 0.000 0.524 750 M N -0.212 119.003 119.600 -0.642 0.000 2.431 750 M HA 0.142 4.624 4.480 0.004 0.000 0.237 750 M C -0.996 174.937 176.300 -0.613 0.000 1.130 750 M CA 0.221 55.087 55.300 -0.723 0.000 1.002 750 M CB -0.505 31.450 32.600 -1.074 0.000 1.524 750 M HN 0.366 nan 8.290 nan 0.000 0.482 751 Y N 1.064 121.309 120.300 -0.092 0.000 2.902 751 Y HA 0.267 4.819 4.550 0.003 0.000 0.353 751 Y C -1.450 174.473 175.900 0.038 0.000 1.116 751 Y CA -1.933 56.170 58.100 0.006 0.000 1.222 751 Y CB 0.018 38.501 38.460 0.039 0.000 1.302 751 Y HN 0.099 nan 8.280 nan 0.000 0.590 752 P HA -0.168 nan 4.420 nan 0.000 0.218 752 P C 0.397 177.755 177.300 0.096 0.000 1.148 752 P CA 1.560 64.708 63.100 0.080 0.000 0.822 752 P CB 0.503 32.217 31.700 0.023 0.000 0.784 753 N N -0.254 118.508 118.700 0.103 0.000 2.396 753 N HA -0.092 4.651 4.740 0.004 0.000 0.180 753 N C 1.165 176.736 175.510 0.102 0.000 1.028 753 N CA 0.769 53.873 53.050 0.090 0.000 0.893 753 N CB -0.248 38.289 38.487 0.084 0.000 0.967 753 N HN 0.195 nan 8.380 nan 0.000 0.440 754 E N -0.529 119.757 120.200 0.144 0.000 2.501 754 E HA 0.197 4.549 4.350 0.004 0.000 0.201 754 E C 1.179 177.876 176.600 0.162 0.000 1.016 754 E CA -0.177 56.302 56.400 0.132 0.000 0.920 754 E CB 0.171 29.938 29.700 0.111 0.000 1.023 754 E HN 0.285 nan 8.360 nan 0.000 0.474 755 M N 0.492 120.198 119.600 0.176 0.000 2.086 755 M HA -0.208 4.274 4.480 0.004 0.000 0.261 755 M C 0.798 177.170 176.300 0.121 0.000 1.067 755 M CA 1.675 57.108 55.300 0.221 0.000 1.116 755 M CB 0.158 32.879 32.600 0.203 0.000 1.348 755 M HN 0.009 nan 8.290 nan 0.000 0.407 756 D N -0.297 120.137 120.400 0.057 0.000 2.092 756 D HA -0.149 4.493 4.640 0.004 0.000 0.193 756 D C 1.869 178.186 176.300 0.028 0.000 0.994 756 D CA 2.002 56.002 54.000 -0.001 0.000 0.828 756 D CB -0.583 40.216 40.800 -0.003 0.000 0.963 756 D HN 0.358 nan 8.370 nan 0.000 0.450 757 T N 0.961 115.570 114.554 0.092 0.000 2.652 757 T HA -0.116 4.236 4.350 0.004 0.000 0.267 757 T C 2.215 177.074 174.700 0.266 0.000 1.039 757 T CA 0.768 62.977 62.100 0.182 0.000 1.153 757 T CB -0.470 68.493 68.868 0.158 0.000 0.863 757 T HN 0.098 nan 8.240 nan 0.000 0.428 758 L N 0.519 121.876 121.223 0.222 0.000 2.013 758 L HA -0.169 4.173 4.340 0.004 0.000 0.212 758 L C 2.861 179.925 176.870 0.324 0.000 1.073 758 L CA 1.684 56.703 54.840 0.298 0.000 0.753 758 L CB -0.567 41.708 42.059 0.360 0.000 0.890 758 L HN 0.188 nan 8.230 nan 0.000 0.432 759 R N 1.201 121.743 120.500 0.069 0.000 2.080 759 R HA -0.235 4.107 4.340 0.004 0.000 0.236 759 R C 2.436 178.684 176.300 -0.087 0.000 1.137 759 R CA 2.242 58.142 56.100 -0.334 0.000 0.943 759 R CB -0.226 29.608 30.300 -0.777 0.000 0.846 759 R HN 0.439 nan 8.270 nan 0.000 0.431 760 K N -0.767 119.600 120.400 -0.055 0.000 2.097 760 K HA -0.152 4.170 4.320 0.004 0.000 0.206 760 K C 1.883 178.422 176.600 -0.101 0.000 1.049 760 K CA 1.684 57.908 56.287 -0.104 0.000 0.933 760 K CB -0.509 31.883 32.500 -0.181 0.000 0.717 760 K HN 0.156 nan 8.250 nan 0.000 0.442 761 F N 1.820 121.781 119.950 0.018 0.000 2.333 761 F HA -0.114 4.415 4.527 0.004 0.000 0.300 761 F C 2.105 177.993 175.800 0.146 0.000 1.083 761 F CA 0.825 58.868 58.000 0.072 0.000 1.395 761 F CB -0.008 39.025 39.000 0.055 0.000 1.056 761 F HN -0.177 nan 8.300 nan 0.000 0.529 762 V N -0.867 119.207 119.914 0.266 0.000 2.788 762 V HA -0.160 3.962 4.120 0.004 0.000 0.251 762 V C 1.899 178.113 176.094 0.199 0.000 1.068 762 V CA 1.348 63.801 62.300 0.256 0.000 1.090 762 V CB -0.510 31.433 31.823 0.199 0.000 0.710 762 V HN 0.280 nan 8.190 nan 0.000 0.467 763 E N -0.042 120.222 120.200 0.106 0.000 2.015 763 E HA -0.183 4.169 4.350 0.004 0.000 0.191 763 E C 2.024 178.714 176.600 0.151 0.000 0.991 763 E CA 1.375 57.833 56.400 0.097 0.000 0.802 763 E CB -0.297 29.423 29.700 0.032 0.000 0.759 763 E HN 0.458 nan 8.360 nan 0.000 0.447 764 F N 2.495 122.383 119.950 -0.103 0.000 2.053 764 F HA -0.391 4.138 4.527 0.004 0.000 0.295 764 F C 2.430 178.173 175.800 -0.094 0.000 1.102 764 F CA 2.284 60.152 58.000 -0.219 0.000 1.225 764 F CB -0.322 38.468 39.000 -0.350 0.000 0.961 764 F HN -0.136 nan 8.300 nan 0.000 0.495 765 R N -1.077 119.454 120.500 0.052 0.000 2.097 765 R HA -0.263 4.079 4.340 0.004 0.000 0.236 765 R C 2.345 178.695 176.300 0.083 0.000 1.135 765 R CA 2.374 58.496 56.100 0.038 0.000 0.934 765 R CB -1.106 29.273 30.300 0.132 0.000 0.846 765 R HN 0.397 nan 8.270 nan 0.000 0.431 766 Y N 0.594 120.899 120.300 0.009 0.000 2.114 766 Y HA -0.201 4.352 4.550 0.004 0.000 0.282 766 Y C 2.646 178.511 175.900 -0.059 0.000 1.165 766 Y CA 1.750 59.850 58.100 -0.001 0.000 1.148 766 Y CB -0.402 38.105 38.460 0.078 0.000 0.972 766 Y HN 0.104 nan 8.280 nan 0.000 0.504 767 R N -1.559 118.971 120.500 0.049 0.000 2.103 767 R HA -0.238 4.104 4.340 0.004 0.000 0.242 767 R C 0.978 177.281 176.300 0.006 0.000 1.142 767 R CA 1.587 57.628 56.100 -0.100 0.000 0.960 767 R CB -0.513 29.679 30.300 -0.181 0.000 0.858 767 R HN 0.337 nan 8.270 nan 0.000 0.439 768 W N 2.210 123.375 121.300 -0.226 0.000 3.391 768 W HA 0.078 4.740 4.660 0.004 0.000 0.372 768 W C 1.499 177.868 176.519 -0.249 0.000 1.171 768 W CA -0.413 56.785 57.345 -0.246 0.000 1.862 768 W CB -0.504 28.752 29.460 -0.339 0.000 1.048 768 W HN 0.300 nan 8.180 nan 0.000 0.726 769 Q N -0.446 119.311 119.800 -0.071 0.000 2.226 769 Q HA -0.187 4.155 4.340 0.004 0.000 0.204 769 Q C 1.079 176.955 176.000 -0.207 0.000 0.975 769 Q CA 1.396 57.069 55.803 -0.216 0.000 0.866 769 Q CB -0.089 28.433 28.738 -0.360 0.000 0.915 769 Q HN 0.099 nan 8.270 nan 0.000 0.440 770 E N 0.912 121.034 120.200 -0.130 0.000 2.122 770 E HA -0.038 4.314 4.350 0.004 0.000 0.190 770 E C 2.362 178.900 176.600 -0.103 0.000 0.977 770 E CA 0.877 57.238 56.400 -0.065 0.000 0.820 770 E CB -0.159 29.506 29.700 -0.059 0.000 0.770 770 E HN 0.246 nan 8.360 nan 0.000 0.462 771 V N 2.222 122.031 119.914 -0.176 0.000 2.250 771 V HA -0.299 3.823 4.120 0.004 0.000 0.250 771 V C 2.557 178.486 176.094 -0.274 0.000 1.060 771 V CA 1.778 63.920 62.300 -0.263 0.000 1.030 771 V CB -0.767 30.782 31.823 -0.458 0.000 0.643 771 V HN 0.202 nan 8.190 nan 0.000 0.445 772 L N -1.974 119.034 121.223 -0.358 0.000 2.027 772 L HA -0.168 4.174 4.340 0.004 0.000 0.206 772 L C 2.540 178.968 176.870 -0.736 0.000 1.074 772 L CA 1.780 56.239 54.840 -0.636 0.000 0.745 772 L CB -0.740 40.745 42.059 -0.957 0.000 0.898 772 L HN 0.308 nan 8.230 nan 0.000 0.433 773 Y N 1.261 121.143 120.300 -0.696 0.000 2.128 773 Y HA -0.266 4.286 4.550 0.004 0.000 0.284 773 Y C 2.810 178.576 175.900 -0.224 0.000 1.154 773 Y CA 1.841 59.712 58.100 -0.381 0.000 1.149 773 Y CB -0.714 37.648 38.460 -0.163 0.000 0.976 773 Y HN 0.107 nan 8.280 nan 0.000 0.505 774 T N 0.191 114.700 114.554 -0.076 0.000 2.708 774 T HA -0.172 4.180 4.350 0.004 0.000 0.266 774 T C 2.166 176.827 174.700 -0.065 0.000 1.037 774 T CA 1.400 63.480 62.100 -0.033 0.000 1.146 774 T CB -0.790 68.097 68.868 0.033 0.000 0.865 774 T HN 0.422 nan 8.240 nan 0.000 0.435 775 A N 1.621 124.358 122.820 -0.137 0.000 1.892 775 A HA -0.174 4.148 4.320 0.004 0.000 0.218 775 A C 2.263 179.743 177.584 -0.173 0.000 1.188 775 A CA 2.201 54.151 52.037 -0.146 0.000 0.631 775 A CB -0.760 18.134 19.000 -0.177 0.000 0.822 775 A HN 0.425 nan 8.150 nan 0.000 0.447 776 M N -1.565 117.911 119.600 -0.208 0.000 2.159 776 M HA -0.120 4.362 4.480 0.004 0.000 0.263 776 M C 1.908 178.007 176.300 -0.334 0.000 1.063 776 M CA 1.907 57.099 55.300 -0.179 0.000 1.110 776 M CB -0.848 31.763 32.600 0.020 0.000 1.374 776 M HN 0.560 nan 8.290 nan 0.000 0.411 777 Y N 0.785 120.731 120.300 -0.590 0.000 2.097 777 Y HA -0.290 4.263 4.550 0.004 0.000 0.282 777 Y C 2.077 177.675 175.900 -0.503 0.000 1.152 777 Y CA 2.426 60.082 58.100 -0.739 0.000 1.136 777 Y CB -0.851 37.056 38.460 -0.921 0.000 0.975 777 Y HN 0.403 nan 8.280 nan 0.000 0.498 778 Q N 0.049 119.556 119.800 -0.487 0.000 2.268 778 Q HA -0.265 4.077 4.340 0.004 0.000 0.210 778 Q C 2.049 177.800 176.000 -0.415 0.000 0.988 778 Q CA 1.584 57.136 55.803 -0.419 0.000 0.883 778 Q CB -0.361 28.348 28.738 -0.049 0.000 0.911 778 Q HN 0.610 nan 8.270 nan 0.000 0.430 779 N N -0.216 118.252 118.700 -0.386 0.000 2.305 779 N HA -0.030 4.712 4.740 0.004 0.000 0.179 779 N C 1.553 176.833 175.510 -0.383 0.000 1.019 779 N CA 0.936 53.805 53.050 -0.301 0.000 0.869 779 N CB 0.122 38.474 38.487 -0.226 0.000 1.000 779 N HN 0.172 nan 8.380 nan 0.000 0.431 780 A N 0.608 123.139 122.820 -0.481 0.000 2.067 780 A HA 0.173 4.495 4.320 0.004 0.000 0.219 780 A C 2.179 179.436 177.584 -0.545 0.000 1.158 780 A CA 1.506 53.259 52.037 -0.474 0.000 0.661 780 A CB -0.392 18.326 19.000 -0.470 0.000 0.801 780 A HN 0.456 nan 8.150 nan 0.000 0.452 781 A N -1.207 121.115 122.820 -0.830 0.000 1.862 781 A HA 0.369 4.691 4.320 0.004 0.000 0.211 781 A C 1.453 178.601 177.584 -0.727 0.000 1.220 781 A CA 1.222 52.631 52.037 -1.047 0.000 0.616 781 A CB -0.285 17.497 19.000 -2.029 0.000 0.878 781 A HN 0.442 nan 8.150 nan 0.000 0.453 782 F N -1.503 118.276 119.950 -0.285 0.000 2.706 782 F HA 0.429 4.958 4.527 0.004 0.000 0.308 782 F C 1.805 177.527 175.800 -0.129 0.000 1.095 782 F CA -0.024 57.882 58.000 -0.157 0.000 1.244 782 F CB 0.194 39.119 39.000 -0.124 0.000 1.063 782 F HN 0.419 nan 8.300 nan 0.000 0.582 783 G N 0.438 109.202 108.800 -0.060 0.000 2.217 783 G HA2 -0.299 3.663 3.960 0.004 0.000 0.246 783 G HA3 -0.299 3.663 3.960 0.004 0.000 0.246 783 G C 0.488 175.352 174.900 -0.060 0.000 0.990 783 G CA -0.311 44.742 45.100 -0.080 0.000 0.627 783 G HN 0.290 nan 8.290 nan 0.000 0.522 784 K N 2.599 122.989 120.400 -0.017 0.000 2.437 784 K HA 0.228 4.550 4.320 0.004 0.000 0.277 784 K C -1.960 174.604 176.600 -0.060 0.000 1.073 784 K CA -0.442 55.836 56.287 -0.016 0.000 1.105 784 K CB 0.471 32.976 32.500 0.008 0.000 0.881 784 K HN 0.259 nan 8.250 nan 0.000 0.475 785 P HA -0.123 nan 4.420 nan 0.000 0.262 785 P C 0.548 177.804 177.300 -0.074 0.000 1.182 785 P CA 0.507 63.577 63.100 -0.050 0.000 0.761 785 P CB 0.527 32.218 31.700 -0.016 0.000 0.795 786 I N 3.098 123.632 120.570 -0.061 0.000 2.090 786 I HA -0.154 4.019 4.170 0.004 0.000 0.236 786 I C 1.305 177.398 176.117 -0.040 0.000 1.064 786 I CA 1.278 62.543 61.300 -0.059 0.000 1.324 786 I CB -0.297 37.693 38.000 -0.016 0.000 1.044 786 I HN 0.253 nan 8.210 nan 0.000 0.399 787 I N 2.948 123.523 120.570 0.007 0.000 2.352 787 I HA 0.125 4.297 4.170 0.004 0.000 0.290 787 I C 0.002 176.140 176.117 0.036 0.000 1.036 787 I CA -0.083 61.251 61.300 0.057 0.000 1.336 787 I CB 0.368 38.383 38.000 0.025 0.000 1.407 787 I HN 0.138 nan 8.210 nan 0.000 0.497 788 K N 5.159 125.590 120.400 0.052 0.000 2.138 788 K HA 0.649 4.971 4.320 0.004 0.000 0.263 788 K C -0.208 176.483 176.600 0.151 0.000 0.965 788 K CA -0.651 55.664 56.287 0.047 0.000 0.868 788 K CB 2.115 34.572 32.500 -0.072 0.000 1.083 788 K HN 0.621 nan 8.250 nan 0.000 0.443 789 A N 1.471 124.363 122.820 0.120 0.000 2.425 789 A HA 0.384 4.706 4.320 0.004 0.000 0.249 789 A C 1.354 179.031 177.584 0.156 0.000 1.084 789 A CA 0.353 52.463 52.037 0.123 0.000 0.781 789 A CB 0.323 19.338 19.000 0.025 0.000 1.019 789 A HN 0.839 nan 8.150 nan 0.000 0.490 790 A N 1.799 124.723 122.820 0.173 0.000 1.997 790 A HA -0.152 4.170 4.320 0.004 0.000 0.221 790 A C 2.252 179.913 177.584 0.127 0.000 1.172 790 A CA 2.505 54.638 52.037 0.159 0.000 0.645 790 A CB -0.998 18.075 19.000 0.123 0.000 0.813 790 A HN 1.582 nan 8.150 nan 0.000 0.454 791 S N -0.917 114.810 115.700 0.044 0.000 2.481 791 S HA -0.016 4.456 4.470 0.004 0.000 0.231 791 S C 1.673 176.250 174.600 -0.037 0.000 0.996 791 S CA 1.246 59.421 58.200 -0.041 0.000 0.942 791 S CB -0.486 62.583 63.200 -0.219 0.000 0.768 791 S HN 0.543 nan 8.310 nan 0.000 0.520 792 M N 0.272 119.894 119.600 0.037 0.000 2.630 792 M HA 0.155 4.638 4.480 0.004 0.000 0.254 792 M C 0.193 176.561 176.300 0.113 0.000 1.092 792 M CA 0.537 55.894 55.300 0.095 0.000 1.087 792 M CB -0.153 32.572 32.600 0.208 0.000 1.453 792 M HN 0.379 nan 8.290 nan 0.000 0.509 793 Y N 2.120 122.426 120.300 0.009 0.000 2.365 793 Y HA 0.159 4.711 4.550 0.004 0.000 0.340 793 Y C -0.021 175.823 175.900 -0.094 0.000 1.016 793 Y CA -0.895 57.142 58.100 -0.105 0.000 1.196 793 Y CB 0.389 38.855 38.460 0.010 0.000 1.167 793 Y HN 0.101 nan 8.280 nan 0.000 0.509 794 N N 4.131 122.703 118.700 -0.215 0.000 2.458 794 N HA 0.180 4.922 4.740 0.004 0.000 0.271 794 N C -0.460 175.031 175.510 -0.032 0.000 1.210 794 N CA -0.365 52.619 53.050 -0.110 0.000 0.978 794 N CB 0.704 39.087 38.487 -0.173 0.000 1.206 794 N HN 0.835 nan 8.380 nan 0.000 0.536 795 N N -1.092 117.607 118.700 -0.002 0.000 2.741 795 N HA -0.191 4.551 4.740 0.004 0.000 0.250 795 N C -1.440 174.129 175.510 0.097 0.000 1.115 795 N CA 0.697 53.763 53.050 0.027 0.000 0.724 795 N CB -0.590 37.893 38.487 -0.006 0.000 1.090 795 N HN 0.549 nan 8.380 nan 0.000 0.558 796 D N -0.087 120.393 120.400 0.133 0.000 2.757 796 D HA 0.287 4.930 4.640 0.004 0.000 0.249 796 D C -0.064 176.268 176.300 0.054 0.000 1.168 796 D CA -0.445 53.641 54.000 0.143 0.000 0.870 796 D CB 1.147 42.095 40.800 0.246 0.000 1.411 796 D HN 0.123 nan 8.370 nan 0.000 0.525 797 S N 2.151 117.855 115.700 0.006 0.000 2.561 797 S HA 0.229 4.701 4.470 0.004 0.000 0.245 797 S C 0.475 174.991 174.600 -0.139 0.000 1.001 797 S CA -0.455 57.717 58.200 -0.047 0.000 1.002 797 S CB -0.182 63.000 63.200 -0.031 0.000 0.805 797 S HN 0.432 nan 8.310 nan 0.000 0.458 798 N N 0.514 119.070 118.700 -0.239 0.000 2.325 798 N HA 0.085 4.827 4.740 0.004 0.000 0.220 798 N C 1.538 176.763 175.510 -0.475 0.000 1.176 798 N CA 0.647 53.375 53.050 -0.536 0.000 0.861 798 N CB 0.430 38.177 38.487 -1.232 0.000 1.230 798 N HN 0.263 nan 8.380 nan 0.000 0.479 799 V N 0.005 119.782 119.914 -0.227 0.000 2.527 799 V HA -0.246 3.876 4.120 0.004 0.000 0.255 799 V C 2.167 178.218 176.094 -0.072 0.000 1.081 799 V CA 1.622 63.871 62.300 -0.085 0.000 1.092 799 V CB -0.604 31.236 31.823 0.030 0.000 0.673 799 V HN 0.259 nan 8.190 nan 0.000 0.470 800 R N 0.290 120.748 120.500 -0.070 0.000 2.066 800 R HA -0.115 4.227 4.340 0.004 0.000 0.232 800 R C 2.702 178.979 176.300 -0.039 0.000 1.131 800 R CA 1.722 57.815 56.100 -0.011 0.000 0.955 800 R CB -0.352 29.948 30.300 -0.001 0.000 0.851 800 R HN 0.478 nan 8.270 nan 0.000 0.432 801 R N -0.219 120.214 120.500 -0.112 0.000 2.159 801 R HA -0.107 4.235 4.340 0.004 0.000 0.237 801 R C 1.541 177.779 176.300 -0.103 0.000 1.131 801 R CA 1.484 57.516 56.100 -0.114 0.000 0.982 801 R CB -0.042 30.159 30.300 -0.164 0.000 0.868 801 R HN 0.256 nan 8.270 nan 0.000 0.453 802 A N 0.663 123.389 122.820 -0.156 0.000 2.267 802 A HA -0.043 4.280 4.320 0.004 0.000 0.213 802 A C 1.753 179.343 177.584 0.010 0.000 1.192 802 A CA -0.033 51.890 52.037 -0.191 0.000 0.851 802 A CB -0.018 18.681 19.000 -0.501 0.000 0.881 802 A HN 0.506 nan 8.150 nan 0.000 0.494 803 Q N 0.221 120.057 119.800 0.059 0.000 2.508 803 Q HA -0.183 4.159 4.340 0.004 0.000 0.214 803 Q C 0.720 176.830 176.000 0.183 0.000 0.979 803 Q CA 1.375 57.264 55.803 0.143 0.000 0.911 803 Q CB -0.416 28.422 28.738 0.167 0.000 0.969 803 Q HN 0.500 nan 8.270 nan 0.000 0.504 804 N N 2.307 121.111 118.700 0.173 0.000 2.062 804 N HA -0.124 4.618 4.740 0.004 0.000 0.191 804 N C 0.797 176.425 175.510 0.197 0.000 1.042 804 N CA 1.953 55.107 53.050 0.173 0.000 0.845 804 N CB -0.120 38.465 38.487 0.163 0.000 1.024 804 N HN 0.653 nan 8.380 nan 0.000 0.424 805 D N -2.141 118.416 120.400 0.260 0.000 2.479 805 D HA 0.057 4.699 4.640 0.004 0.000 0.216 805 D C -0.264 176.208 176.300 0.286 0.000 1.110 805 D CA -0.042 54.105 54.000 0.244 0.000 0.841 805 D CB -0.568 40.338 40.800 0.176 0.000 1.040 805 D HN 0.175 nan 8.370 nan 0.000 0.505 806 H N 0.206 119.394 119.070 0.196 0.000 2.548 806 H HA 0.559 5.117 4.556 0.004 0.000 0.331 806 H C -0.383 175.109 175.328 0.275 0.000 1.093 806 H CA -0.569 55.564 56.048 0.142 0.000 1.367 806 H CB 0.565 30.343 29.762 0.027 0.000 1.455 806 H HN 0.123 nan 8.280 nan 0.000 0.519 807 F N 0.324 120.338 119.950 0.105 0.000 2.685 807 F HA 0.682 5.211 4.527 0.004 0.000 0.315 807 F C -2.093 173.748 175.800 0.069 0.000 1.126 807 F CA -1.322 56.732 58.000 0.089 0.000 0.950 807 F CB 1.134 40.180 39.000 0.076 0.000 1.360 807 F HN 0.233 nan 8.300 nan 0.000 0.469 808 L N 2.273 123.598 121.223 0.170 0.000 2.333 808 L HA 0.880 5.222 4.340 0.004 0.000 0.263 808 L C -0.916 175.980 176.870 0.044 0.000 1.014 808 L CA -0.794 54.078 54.840 0.053 0.000 0.820 808 L CB 2.245 44.413 42.059 0.182 0.000 1.352 808 L HN 0.883 nan 8.230 nan 0.000 0.421 809 L N -0.717 120.482 121.223 -0.040 0.000 2.940 809 L HA 1.017 5.359 4.340 0.004 0.000 0.270 809 L C -0.331 176.440 176.870 -0.166 0.000 1.030 809 L CA -0.535 54.246 54.840 -0.097 0.000 0.928 809 L CB 1.682 43.745 42.059 0.008 0.000 1.506 809 L HN 0.811 nan 8.230 nan 0.000 0.405 810 G N -0.958 107.719 108.800 -0.205 0.000 2.731 810 G HA2 0.495 4.457 3.960 0.004 0.000 0.686 810 G HA3 0.495 4.457 3.960 0.004 0.000 0.686 810 G C 0.240 175.000 174.900 -0.234 0.000 1.395 810 G CA -0.065 44.885 45.100 -0.251 0.000 0.870 810 G HN 3.011 nan 8.290 nan 0.000 0.591 811 G N 0.396 109.074 108.800 -0.203 0.000 2.483 811 G HA2 0.340 4.302 3.960 0.004 0.000 0.521 811 G HA3 0.340 4.302 3.960 0.004 0.000 0.521 811 G C 0.562 175.414 174.900 -0.080 0.000 1.278 811 G CA 0.969 45.984 45.100 -0.140 0.000 0.965 811 G HN 2.650 nan 8.290 nan 0.000 0.504 812 H N -1.059 118.007 119.070 -0.007 0.000 2.357 812 H HA 0.059 4.617 4.556 0.004 0.000 0.301 812 H C 1.848 177.200 175.328 0.040 0.000 1.082 812 H CA 2.177 58.240 56.048 0.026 0.000 1.342 812 H CB -0.027 29.743 29.762 0.013 0.000 1.389 812 H HN 0.565 nan 8.280 nan 0.000 0.511 813 D N -0.770 119.268 120.400 -0.603 0.000 2.360 813 D HA 0.101 4.744 4.640 0.004 0.000 0.210 813 D C 1.668 177.929 176.300 -0.065 0.000 1.047 813 D CA 0.527 54.386 54.000 -0.236 0.000 0.854 813 D CB -0.246 40.404 40.800 -0.251 0.000 0.936 813 D HN 0.675 nan 8.370 nan 0.000 0.514 814 G N 0.105 108.793 108.800 -0.187 0.000 2.148 814 G HA2 -0.317 3.645 3.960 0.004 0.000 0.254 814 G HA3 -0.317 3.645 3.960 0.004 0.000 0.254 814 G C -0.066 174.560 174.900 -0.456 0.000 0.981 814 G CA 0.398 45.325 45.100 -0.288 0.000 0.670 814 G HN 0.429 nan 8.290 nan 0.000 0.528 815 Y N -0.868 119.376 120.300 -0.092 0.000 2.696 815 Y HA 0.392 4.944 4.550 0.004 0.000 0.255 815 Y C 1.825 177.751 175.900 0.043 0.000 1.103 815 Y CA -0.721 57.396 58.100 0.027 0.000 1.126 815 Y CB 0.536 39.035 38.460 0.065 0.000 1.197 815 Y HN 0.104 nan 8.280 nan 0.000 0.574 816 R N 0.271 120.791 120.500 0.033 0.000 2.254 816 R HA 0.316 4.658 4.340 0.004 0.000 0.195 816 R C -0.082 176.248 176.300 0.049 0.000 0.957 816 R CA 0.536 56.624 56.100 -0.019 0.000 1.024 816 R CB 0.576 30.783 30.300 -0.155 0.000 0.952 816 R HN 0.319 nan 8.270 nan 0.000 0.484 817 I N 1.184 121.778 120.570 0.040 0.000 2.465 817 I HA 0.284 4.457 4.170 0.004 0.000 0.291 817 I C -0.934 175.217 176.117 0.056 0.000 1.014 817 I CA -1.191 60.142 61.300 0.055 0.000 1.093 817 I CB 2.271 40.212 38.000 -0.098 0.000 1.267 817 I HN -0.231 nan 8.210 nan 0.000 0.431 818 L N 6.873 128.113 121.223 0.028 0.000 2.325 818 L HA 0.625 4.968 4.340 0.004 0.000 0.281 818 L C -1.092 175.663 176.870 -0.191 0.000 1.004 818 L CA 0.056 54.772 54.840 -0.206 0.000 0.823 818 L CB 1.169 42.860 42.059 -0.614 0.000 1.236 818 L HN 0.690 nan 8.230 nan 0.000 0.415 819 C N 4.340 123.323 119.300 -0.528 0.000 2.379 819 C HA 0.867 5.329 4.460 0.004 0.000 0.323 819 C C 0.540 175.238 174.990 -0.486 0.000 1.262 819 C CA -0.598 58.066 59.018 -0.591 0.000 1.581 819 C CB 0.709 27.752 27.740 -1.162 0.000 2.221 819 C HN 0.929 nan 8.230 nan 0.000 0.497 820 A N 4.182 126.846 122.820 -0.261 0.000 3.317 820 A HA 0.589 4.911 4.320 0.004 0.000 0.307 820 A C -2.872 174.650 177.584 -0.104 0.000 1.003 820 A CA -0.961 50.868 52.037 -0.346 0.000 0.882 820 A CB -0.161 18.351 19.000 -0.814 0.000 1.136 820 A HN 0.647 nan 8.150 nan 0.000 0.488 821 P HA 0.074 nan 4.420 nan 0.000 0.264 821 P C 0.278 177.603 177.300 0.043 0.000 1.183 821 P CA 0.279 63.411 63.100 0.053 0.000 0.763 821 P CB 0.741 32.506 31.700 0.108 0.000 0.807 822 V N 4.690 124.633 119.914 0.048 0.000 2.540 822 V HA -0.037 4.085 4.120 0.004 0.000 0.297 822 V C 1.378 177.490 176.094 0.030 0.000 1.024 822 V CA 0.674 63.024 62.300 0.083 0.000 1.105 822 V CB 0.556 32.433 31.823 0.090 0.000 0.938 822 V HN 0.470 nan 8.190 nan 0.000 0.482 823 V N 1.752 121.675 119.914 0.014 0.000 2.940 823 V HA 0.484 4.606 4.120 0.004 0.000 0.366 823 V C -0.526 175.306 176.094 -0.437 0.000 1.353 823 V CA -0.554 61.621 62.300 -0.209 0.000 1.232 823 V CB -0.638 31.022 31.823 -0.271 0.000 1.278 823 V HN 0.731 nan 8.190 nan 0.000 0.546 824 W N -0.007 121.304 121.300 0.018 0.000 2.957 824 W HA 0.565 5.227 4.660 0.003 0.000 0.336 824 W C 0.054 176.584 176.519 0.019 0.000 1.087 824 W CA -0.591 56.771 57.345 0.028 0.000 1.235 824 W CB 1.616 31.103 29.460 0.045 0.000 1.399 824 W HN 0.133 nan 8.180 nan 0.000 0.480 825 E N 2.219 122.584 120.200 0.276 0.000 2.414 825 E HA -0.012 4.340 4.350 0.004 0.000 0.263 825 E C 0.344 177.047 176.600 0.172 0.000 1.000 825 E CA 0.853 57.354 56.400 0.169 0.000 0.914 825 E CB 0.137 29.922 29.700 0.140 0.000 0.948 825 E HN 0.651 nan 8.360 nan 0.000 0.444 826 N N 1.258 120.026 118.700 0.113 0.000 2.741 826 N HA -0.233 4.509 4.740 0.004 0.000 0.250 826 N C -1.334 174.230 175.510 0.090 0.000 1.115 826 N CA 0.645 53.749 53.050 0.090 0.000 0.724 826 N CB -0.798 37.738 38.487 0.082 0.000 1.090 826 N HN 0.273 nan 8.380 nan 0.000 0.558 827 S N -0.293 115.476 115.700 0.115 0.000 2.475 827 S HA 0.549 5.021 4.470 0.004 0.000 0.298 827 S C 0.819 175.470 174.600 0.085 0.000 1.119 827 S CA 0.109 58.376 58.200 0.112 0.000 1.085 827 S CB 1.141 64.457 63.200 0.193 0.000 1.028 827 S HN 0.285 nan 8.310 nan 0.000 0.489 828 T N 0.734 115.328 114.554 0.066 0.000 3.288 828 T HA 0.479 4.831 4.350 0.004 0.000 0.293 828 T C -0.472 174.257 174.700 0.048 0.000 1.008 828 T CA -0.487 61.642 62.100 0.049 0.000 0.929 828 T CB -0.414 68.473 68.868 0.032 0.000 1.152 828 T HN 0.726 nan 8.240 nan 0.000 0.517 829 E N 0.361 120.607 120.200 0.077 0.000 2.409 829 E HA 0.730 5.082 4.350 0.004 0.000 0.280 829 E C -1.061 175.624 176.600 0.143 0.000 1.079 829 E CA -1.390 55.069 56.400 0.098 0.000 0.840 829 E CB 0.992 30.740 29.700 0.081 0.000 1.309 829 E HN 0.379 nan 8.360 nan 0.000 0.447 830 R N -0.717 119.896 120.500 0.188 0.000 2.690 830 R HA 0.488 4.831 4.340 0.004 0.000 0.269 830 R C -1.392 175.028 176.300 0.201 0.000 1.037 830 R CA -1.059 55.158 56.100 0.195 0.000 0.877 830 R CB 1.046 31.467 30.300 0.203 0.000 1.255 830 R HN 0.640 nan 8.270 nan 0.000 0.467 831 E N 1.789 122.081 120.200 0.154 0.000 2.290 831 E HA 0.289 4.641 4.350 0.004 0.000 0.277 831 E C -1.228 175.445 176.600 0.121 0.000 1.035 831 E CA -0.654 55.789 56.400 0.071 0.000 0.873 831 E CB 0.808 30.495 29.700 -0.021 0.000 1.029 831 E HN 0.497 nan 8.360 nan 0.000 0.419 832 L N 5.979 127.231 121.223 0.049 0.000 2.341 832 L HA 0.427 4.769 4.340 0.004 0.000 0.278 832 L C -1.877 174.985 176.870 -0.014 0.000 1.005 832 L CA -0.768 54.129 54.840 0.096 0.000 0.818 832 L CB 1.367 43.303 42.059 -0.204 0.000 1.259 832 L HN 0.602 nan 8.230 nan 0.000 0.418 833 Y N 5.349 125.558 120.300 -0.152 0.000 2.331 833 Y HA 0.605 5.158 4.550 0.004 0.000 0.334 833 Y C -1.318 174.310 175.900 -0.453 0.000 0.960 833 Y CA -0.883 56.981 58.100 -0.394 0.000 1.130 833 Y CB 1.267 39.443 38.460 -0.474 0.000 1.164 833 Y HN 0.560 nan 8.280 nan 0.000 0.458 834 L N 9.196 129.697 121.223 -1.205 0.000 2.278 834 L HA 0.412 4.754 4.340 0.004 0.000 0.287 834 L C -2.253 173.868 176.870 -1.249 0.000 1.072 834 L CA -2.074 52.025 54.840 -1.235 0.000 0.819 834 L CB 0.562 42.053 42.059 -0.946 0.000 1.176 834 L HN 0.517 nan 8.230 nan 0.000 0.435 835 P HA -0.077 nan 4.420 nan 0.000 0.264 835 P C -0.050 177.145 177.300 -0.175 0.000 1.183 835 P CA 0.129 62.882 63.100 -0.578 0.000 0.763 835 P CB 0.736 31.799 31.700 -1.061 0.000 0.807 836 V N 5.894 125.775 119.914 -0.055 0.000 3.133 836 V HA 0.111 4.234 4.120 0.004 0.000 0.305 836 V C 1.087 177.276 176.094 0.159 0.000 1.084 836 V CA -0.142 62.205 62.300 0.077 0.000 1.089 836 V CB -0.379 31.518 31.823 0.123 0.000 1.073 836 V HN 0.552 nan 8.190 nan 0.000 0.477 837 L N 2.417 123.683 121.223 0.072 0.000 3.865 837 L HA -0.167 4.175 4.340 0.004 0.000 0.408 837 L C 0.160 177.024 176.870 -0.010 0.000 1.209 837 L CA 0.928 55.789 54.840 0.035 0.000 0.940 837 L CB -2.360 39.727 42.059 0.047 0.000 1.971 837 L HN 0.924 nan 8.230 nan 0.000 0.899 838 T N -1.502 113.004 114.554 -0.081 0.000 2.769 838 T HA 0.552 4.905 4.350 0.004 0.000 0.306 838 T C -1.482 172.956 174.700 -0.437 0.000 1.400 838 T CA -0.619 61.320 62.100 -0.269 0.000 1.007 838 T CB 2.038 70.686 68.868 -0.365 0.000 1.392 838 T HN 0.147 nan 8.240 nan 0.000 0.500 839 Q N 0.896 120.355 119.800 -0.568 0.000 2.306 839 Q HA 0.508 4.850 4.340 0.004 0.000 0.265 839 Q C -1.386 174.107 176.000 -0.845 0.000 1.022 839 Q CA -0.376 55.087 55.803 -0.567 0.000 0.853 839 Q CB 1.931 30.445 28.738 -0.373 0.000 1.327 839 Q HN 0.655 nan 8.270 nan 0.000 0.449 840 W N 0.882 121.950 121.300 -0.386 0.000 2.761 840 W HA 0.497 5.160 4.660 0.004 0.000 0.340 840 W C -0.854 175.407 176.519 -0.430 0.000 1.072 840 W CA -0.585 56.569 57.345 -0.318 0.000 1.215 840 W CB 1.102 30.377 29.460 -0.308 0.000 1.420 840 W HN 0.416 nan 8.180 nan 0.000 0.519 841 Y N 1.669 122.180 120.300 0.351 0.000 2.328 841 Y HA 0.258 4.810 4.550 0.004 0.000 0.336 841 Y C 0.440 176.510 175.900 0.283 0.000 0.960 841 Y CA -1.755 56.502 58.100 0.262 0.000 1.134 841 Y CB 1.514 40.073 38.460 0.165 0.000 1.166 841 Y HN 0.227 nan 8.280 nan 0.000 0.464 842 K N 3.635 124.226 120.400 0.318 0.000 2.453 842 K HA 0.086 4.408 4.320 0.004 0.000 0.280 842 K C -1.222 175.039 176.600 -0.566 0.000 1.045 842 K CA 0.506 56.717 56.287 -0.127 0.000 1.059 842 K CB 0.151 32.635 32.500 -0.027 0.000 0.901 842 K HN 0.595 nan 8.250 nan 0.000 0.475 843 F N 1.947 121.524 119.950 -0.621 0.000 2.835 843 F HA 0.709 5.238 4.527 0.004 0.000 0.373 843 F C 0.496 176.120 175.800 -0.294 0.000 1.209 843 F CA 0.505 58.225 58.000 -0.466 0.000 1.082 843 F CB 1.823 40.833 39.000 0.017 0.000 1.472 843 F HN 0.735 nan 8.300 nan 0.000 0.519 844 G N 0.534 108.935 108.800 -0.664 0.000 2.347 844 G HA2 0.062 4.024 3.960 0.004 0.000 0.341 844 G HA3 0.062 4.024 3.960 0.004 0.000 0.341 844 G C -2.775 171.328 174.900 -1.328 0.000 1.287 844 G CA -0.435 43.934 45.100 -1.219 0.000 0.984 844 G HN 0.361 nan 8.290 nan 0.000 0.526 845 P HA 0.033 nan 4.420 nan 0.000 0.216 845 P C 1.048 178.069 177.300 -0.464 0.000 1.150 845 P CA 1.638 64.259 63.100 -0.798 0.000 0.837 845 P CB 0.087 31.242 31.700 -0.908 0.000 0.786 846 D N -1.747 118.389 120.400 -0.440 0.000 2.269 846 D HA -0.048 4.594 4.640 0.004 0.000 0.208 846 D C 1.422 177.496 176.300 -0.378 0.000 0.963 846 D CA 0.850 54.629 54.000 -0.369 0.000 0.864 846 D CB -0.651 39.902 40.800 -0.412 0.000 0.936 846 D HN 0.217 nan 8.370 nan 0.000 0.505 847 F N 0.489 120.187 119.950 -0.421 0.000 2.710 847 F HA 0.009 4.539 4.527 0.004 0.000 0.298 847 F C 1.897 177.603 175.800 -0.156 0.000 1.137 847 F CA 0.233 58.045 58.000 -0.314 0.000 1.444 847 F CB 0.070 38.805 39.000 -0.441 0.000 1.111 847 F HN -0.157 nan 8.300 nan 0.000 0.580 848 D N -0.236 120.145 120.400 -0.032 0.000 2.263 848 D HA -0.148 4.495 4.640 0.004 0.000 0.208 848 D C 1.691 178.104 176.300 0.188 0.000 0.971 848 D CA 1.652 55.763 54.000 0.184 0.000 0.867 848 D CB 0.070 40.998 40.800 0.215 0.000 0.929 848 D HN 0.196 nan 8.370 nan 0.000 0.492 849 T N -2.892 111.704 114.554 0.070 0.000 3.252 849 T HA 0.235 4.587 4.350 0.004 0.000 0.286 849 T C 0.012 174.715 174.700 0.005 0.000 1.013 849 T CA -0.778 61.355 62.100 0.054 0.000 0.914 849 T CB -0.074 68.803 68.868 0.014 0.000 1.131 849 T HN 0.217 nan 8.240 nan 0.000 0.529 850 K N -0.483 119.919 120.400 0.003 0.000 2.533 850 K HA 0.751 5.074 4.320 0.004 0.000 0.272 850 K C -3.566 173.082 176.600 0.081 0.000 0.985 850 K CA -2.357 53.917 56.287 -0.021 0.000 0.876 850 K CB 1.010 33.413 32.500 -0.161 0.000 1.452 850 K HN -0.217 nan 8.250 nan 0.000 0.439 851 P HA 0.114 nan 4.420 nan 0.000 0.271 851 P C -0.475 176.996 177.300 0.286 0.000 1.218 851 P CA -0.373 62.816 63.100 0.147 0.000 0.780 851 P CB 0.412 32.169 31.700 0.095 0.000 0.901 852 L N 1.549 122.967 121.223 0.325 0.000 2.483 852 L HA 0.048 4.390 4.340 0.004 0.000 0.275 852 L C 1.332 178.429 176.870 0.379 0.000 1.220 852 L CA 0.398 55.491 54.840 0.423 0.000 0.833 852 L CB -0.168 42.007 42.059 0.192 0.000 1.102 852 L HN 0.386 nan 8.230 nan 0.000 0.490 853 E N 0.337 120.815 120.200 0.462 0.000 2.312 853 E HA 0.292 4.644 4.350 0.004 0.000 0.259 853 E C 0.092 176.926 176.600 0.390 0.000 1.122 853 E CA -0.590 56.043 56.400 0.388 0.000 0.922 853 E CB 0.659 30.603 29.700 0.407 0.000 1.109 853 E HN 0.713 nan 8.360 nan 0.000 0.442 854 G N 0.118 109.101 108.800 0.305 0.000 2.414 854 G HA2 0.241 4.203 3.960 0.004 0.000 0.236 854 G HA3 0.241 4.203 3.960 0.004 0.000 0.236 854 G C -0.066 174.995 174.900 0.269 0.000 1.293 854 G CA -0.085 45.187 45.100 0.287 0.000 0.869 854 G HN 0.526 nan 8.290 nan 0.000 0.556 855 A N 2.455 125.397 122.820 0.203 0.000 2.565 855 A HA 0.346 4.668 4.320 0.004 0.000 0.237 855 A C 0.578 178.097 177.584 -0.108 0.000 1.053 855 A CA 0.438 52.342 52.037 -0.222 0.000 0.755 855 A CB 0.030 18.881 19.000 -0.248 0.000 0.980 855 A HN 0.674 nan 8.150 nan 0.000 0.506 856 M N 3.072 122.579 119.600 -0.156 0.000 2.129 856 M HA 0.167 4.649 4.480 0.004 0.000 0.348 856 M C -0.339 175.912 176.300 -0.081 0.000 1.116 856 M CA -0.518 54.745 55.300 -0.061 0.000 1.022 856 M CB 0.886 33.468 32.600 -0.030 0.000 1.599 856 M HN 0.709 nan 8.290 nan 0.000 0.449 857 N N 2.354 121.017 118.700 -0.061 0.000 2.447 857 N HA 0.102 4.844 4.740 0.004 0.000 0.263 857 N C 0.093 175.574 175.510 -0.049 0.000 1.226 857 N CA 0.180 53.194 53.050 -0.059 0.000 0.906 857 N CB 0.661 39.125 38.487 -0.038 0.000 1.060 857 N HN 0.835 nan 8.380 nan 0.000 0.468 858 G N -0.249 108.539 108.800 -0.020 0.000 2.442 858 G HA2 0.413 4.376 3.960 0.004 0.000 0.249 858 G HA3 0.413 4.376 3.960 0.004 0.000 0.249 858 G C 0.994 175.837 174.900 -0.095 0.000 1.263 858 G CA 0.101 45.201 45.100 -0.000 0.000 0.846 858 G HN 0.758 nan 8.290 nan 0.000 0.555 859 G N 1.356 110.005 108.800 -0.252 0.000 2.213 859 G HA2 -0.233 3.729 3.960 0.004 0.000 0.226 859 G HA3 -0.233 3.729 3.960 0.004 0.000 0.226 859 G C 0.146 175.016 174.900 -0.049 0.000 0.992 859 G CA 0.194 45.242 45.100 -0.088 0.000 0.632 859 G HN 0.743 nan 8.290 nan 0.000 0.511 860 D N 0.802 121.087 120.400 -0.192 0.000 2.348 860 D HA 0.409 5.051 4.640 0.004 0.000 0.253 860 D C 0.636 176.846 176.300 -0.148 0.000 1.161 860 D CA 0.078 54.009 54.000 -0.115 0.000 0.876 860 D CB 0.915 41.642 40.800 -0.122 0.000 1.160 860 D HN 0.443 nan 8.370 nan 0.000 0.459 861 R N 3.283 123.814 120.500 0.053 0.000 2.295 861 R HA 0.461 4.803 4.340 0.004 0.000 0.324 861 R C -0.767 175.498 176.300 -0.058 0.000 0.968 861 R CA -0.578 55.538 56.100 0.028 0.000 0.837 861 R CB 0.468 30.783 30.300 0.025 0.000 1.133 861 R HN 0.387 nan 8.270 nan 0.000 0.450 862 I N 5.446 125.947 120.570 -0.115 0.000 2.382 862 I HA 0.239 4.411 4.170 0.004 0.000 0.285 862 I C -0.795 175.329 176.117 0.011 0.000 1.007 862 I CA -0.845 60.466 61.300 0.019 0.000 1.142 862 I CB 1.151 39.188 38.000 0.062 0.000 1.289 862 I HN 0.543 nan 8.210 nan 0.000 0.453 863 Y N 5.482 125.848 120.300 0.111 0.000 2.335 863 Y HA 0.177 4.729 4.550 0.004 0.000 0.331 863 Y C 0.922 176.899 175.900 0.128 0.000 1.094 863 Y CA -0.298 57.867 58.100 0.109 0.000 1.253 863 Y CB 0.472 38.978 38.460 0.078 0.000 1.203 863 Y HN 0.584 nan 8.280 nan 0.000 0.508 864 N N 1.374 120.228 118.700 0.257 0.000 2.738 864 N HA -0.302 4.440 4.740 0.004 0.000 0.249 864 N C -1.168 174.467 175.510 0.208 0.000 1.047 864 N CA 0.374 53.542 53.050 0.197 0.000 0.707 864 N CB -1.810 36.771 38.487 0.157 0.000 0.937 864 N HN 0.670 nan 8.380 nan 0.000 0.545 865 Y N 2.379 122.742 120.300 0.105 0.000 2.537 865 Y HA 0.229 4.781 4.550 0.004 0.000 0.339 865 Y C -1.836 174.124 175.900 0.099 0.000 1.066 865 Y CA -1.798 56.364 58.100 0.104 0.000 1.357 865 Y CB 0.698 39.222 38.460 0.106 0.000 1.175 865 Y HN 0.118 nan 8.280 nan 0.000 0.525 866 P HA 0.037 nan 4.420 nan 0.000 0.267 866 P C -1.125 176.027 177.300 -0.247 0.000 1.205 866 P CA 0.195 63.177 63.100 -0.197 0.000 0.765 866 P CB 1.270 32.869 31.700 -0.168 0.000 0.828 867 V N 5.589 125.460 119.914 -0.071 0.000 2.465 867 V HA 0.218 4.340 4.120 0.004 0.000 0.263 867 V C -2.280 173.818 176.094 0.006 0.000 0.981 867 V CA -1.777 60.514 62.300 -0.015 0.000 0.838 867 V CB 1.243 33.107 31.823 0.069 0.000 1.068 867 V HN 0.436 nan 8.190 nan 0.000 0.458 868 P HA 0.104 nan 4.420 nan 0.000 0.270 868 P C 0.989 178.300 177.300 0.017 0.000 1.223 868 P CA 0.054 63.159 63.100 0.008 0.000 0.785 868 P CB 0.777 32.480 31.700 0.004 0.000 0.923 869 Q N 1.112 120.922 119.800 0.017 0.000 2.217 869 Q HA -0.234 4.108 4.340 0.004 0.000 0.209 869 Q C 1.590 177.598 176.000 0.014 0.000 0.988 869 Q CA 2.352 58.160 55.803 0.009 0.000 0.878 869 Q CB -0.289 28.459 28.738 0.016 0.000 0.909 869 Q HN 0.589 nan 8.270 nan 0.000 0.424 870 S N -1.150 114.580 115.700 0.049 0.000 2.522 870 S HA 0.027 4.499 4.470 0.004 0.000 0.227 870 S C 0.331 175.065 174.600 0.224 0.000 0.986 870 S CA 0.066 58.337 58.200 0.117 0.000 0.929 870 S CB 0.160 63.405 63.200 0.074 0.000 0.769 870 S HN 0.256 nan 8.310 nan 0.000 0.529 871 E N 0.583 120.863 120.200 0.134 0.000 2.249 871 E HA 0.649 5.001 4.350 0.004 0.000 0.263 871 E C -1.148 175.522 176.600 0.117 0.000 0.950 871 E CA -0.723 55.783 56.400 0.177 0.000 0.827 871 E CB 1.867 31.617 29.700 0.082 0.000 1.220 871 E HN 0.166 nan 8.360 nan 0.000 0.411 872 S N 0.915 116.713 115.700 0.163 0.000 2.546 872 S HA 0.396 4.868 4.470 0.004 0.000 0.272 872 S C -2.836 171.786 174.600 0.036 0.000 1.140 872 S CA -1.570 56.668 58.200 0.063 0.000 0.920 872 S CB 1.278 64.489 63.200 0.018 0.000 1.083 872 S HN 0.123 nan 8.310 nan 0.000 0.476 873 P HA 0.369 nan 4.420 nan 0.000 0.264 873 P C -1.169 176.002 177.300 -0.215 0.000 1.236 873 P CA 0.288 63.358 63.100 -0.049 0.000 0.811 873 P CB -0.186 31.638 31.700 0.205 0.000 0.840 874 I N 4.442 124.712 120.570 -0.501 0.000 2.499 874 I HA 0.436 4.608 4.170 0.004 0.000 0.288 874 I C -0.557 175.294 176.117 -0.443 0.000 1.048 874 I CA -0.610 60.550 61.300 -0.232 0.000 1.062 874 I CB 1.535 39.582 38.000 0.078 0.000 1.238 874 I HN 0.107 nan 8.210 nan 0.000 0.426 875 F N 5.176 125.194 119.950 0.113 0.000 2.539 875 F HA 0.537 5.066 4.527 0.004 0.000 0.318 875 F C -0.258 175.678 175.800 0.227 0.000 1.135 875 F CA -0.971 57.114 58.000 0.142 0.000 0.915 875 F CB 1.894 40.880 39.000 -0.023 0.000 1.176 875 F HN -0.042 nan 8.300 nan 0.000 0.440 876 V N 3.455 123.553 119.914 0.305 0.000 2.439 876 V HA 0.439 4.562 4.120 0.004 0.000 0.282 876 V C 0.254 176.394 176.094 0.076 0.000 1.039 876 V CA -0.888 61.386 62.300 -0.043 0.000 0.913 876 V CB 1.502 32.814 31.823 -0.852 0.000 0.983 876 V HN 0.702 nan 8.190 nan 0.000 0.460 877 R N 2.936 123.408 120.500 -0.046 0.000 2.539 877 R HA 0.245 4.587 4.340 0.004 0.000 0.275 877 R C 0.525 176.716 176.300 -0.182 0.000 1.077 877 R CA -0.445 55.459 56.100 -0.327 0.000 1.097 877 R CB 0.722 30.741 30.300 -0.469 0.000 1.018 877 R HN 0.937 nan 8.270 nan 0.000 0.483 878 E N 1.804 121.899 120.200 -0.175 0.000 2.408 878 E HA 0.149 4.501 4.350 0.004 0.000 0.259 878 E C 0.237 176.827 176.600 -0.017 0.000 1.110 878 E CA 0.092 56.511 56.400 0.031 0.000 0.929 878 E CB 0.504 30.215 29.700 0.018 0.000 0.971 878 E HN 0.788 nan 8.360 nan 0.000 0.438 879 G N 0.891 109.722 108.800 0.052 0.000 2.246 879 G HA2 -0.142 3.820 3.960 0.004 0.000 0.273 879 G HA3 -0.142 3.820 3.960 0.004 0.000 0.273 879 G C -0.034 174.913 174.900 0.078 0.000 1.055 879 G CA 0.067 45.192 45.100 0.042 0.000 0.851 879 G HN 0.919 nan 8.290 nan 0.000 0.500 880 A N -0.253 122.628 122.820 0.103 0.000 2.331 880 A HA 0.858 5.181 4.320 0.004 0.000 0.320 880 A C -0.040 177.685 177.584 0.235 0.000 1.138 880 A CA -0.677 51.433 52.037 0.121 0.000 0.790 880 A CB 1.121 20.083 19.000 -0.062 0.000 1.206 880 A HN 0.759 nan 8.150 nan 0.000 0.470 881 I N 2.912 123.594 120.570 0.187 0.000 2.389 881 I HA 0.347 4.520 4.170 0.004 0.000 0.288 881 I C -0.899 175.338 176.117 0.200 0.000 0.999 881 I CA -0.239 61.186 61.300 0.208 0.000 1.129 881 I CB 1.530 39.605 38.000 0.125 0.000 1.288 881 I HN 0.457 nan 8.210 nan 0.000 0.444 882 L N 8.140 129.501 121.223 0.230 0.000 2.325 882 L HA 0.480 4.822 4.340 0.004 0.000 0.281 882 L C -2.339 174.572 176.870 0.069 0.000 1.004 882 L CA -1.895 53.002 54.840 0.096 0.000 0.823 882 L CB 2.092 44.189 42.059 0.063 0.000 1.236 882 L HN 0.288 nan 8.230 nan 0.000 0.415 883 P HA 0.122 nan 4.420 nan 0.000 0.276 883 P C -0.668 176.547 177.300 -0.142 0.000 1.264 883 P CA -0.058 62.862 63.100 -0.300 0.000 0.769 883 P CB 0.836 32.342 31.700 -0.323 0.000 0.840 884 T N 4.673 119.170 114.554 -0.095 0.000 2.918 884 T HA 0.544 4.897 4.350 0.004 0.000 0.286 884 T C 0.029 174.651 174.700 -0.129 0.000 1.026 884 T CA -0.691 61.400 62.100 -0.016 0.000 1.031 884 T CB 1.157 70.079 68.868 0.090 0.000 1.046 884 T HN 0.213 nan 8.240 nan 0.000 0.479 885 R N 1.124 121.482 120.500 -0.237 0.000 2.686 885 R HA 0.566 4.908 4.340 0.004 0.000 0.286 885 R C -1.564 174.566 176.300 -0.283 0.000 0.969 885 R CA -0.700 55.327 56.100 -0.122 0.000 0.898 885 R CB 1.447 31.769 30.300 0.038 0.000 1.183 885 R HN 0.650 nan 8.270 nan 0.000 0.456 886 Y N -0.741 119.697 120.300 0.230 0.000 2.570 886 Y HA 0.380 4.932 4.550 0.004 0.000 0.345 886 Y C 0.862 176.807 175.900 0.074 0.000 1.014 886 Y CA -0.811 57.400 58.100 0.186 0.000 1.063 886 Y CB 1.834 40.379 38.460 0.141 0.000 1.272 886 Y HN 0.555 nan 8.280 nan 0.000 0.477 887 T N -0.962 113.687 114.554 0.159 0.000 2.913 887 T HA 0.220 4.572 4.350 0.004 0.000 0.287 887 T C 0.680 175.380 174.700 0.000 0.000 1.008 887 T CA -0.686 61.361 62.100 -0.089 0.000 1.067 887 T CB 1.122 69.909 68.868 -0.134 0.000 0.996 887 T HN 0.613 nan 8.240 nan 0.000 0.513 888 L N 1.719 122.912 121.223 -0.050 0.000 2.201 888 L HA 0.034 4.376 4.340 0.004 0.000 0.212 888 L C 1.746 178.646 176.870 0.050 0.000 1.105 888 L CA 1.770 56.616 54.840 0.009 0.000 0.775 888 L CB -0.873 41.182 42.059 -0.008 0.000 0.913 888 L HN 0.919 nan 8.230 nan 0.000 0.440 889 N N -1.758 116.951 118.700 0.016 0.000 2.205 889 N HA 0.218 4.961 4.740 0.004 0.000 0.201 889 N C 1.298 176.819 175.510 0.018 0.000 1.128 889 N CA 0.644 53.700 53.050 0.011 0.000 0.867 889 N CB 0.319 38.801 38.487 -0.008 0.000 0.996 889 N HN 0.212 nan 8.380 nan 0.000 0.503 890 G N -0.344 108.483 108.800 0.045 0.000 2.253 890 G HA2 -0.319 3.643 3.960 0.004 0.000 0.251 890 G HA3 -0.319 3.643 3.960 0.004 0.000 0.251 890 G C -0.192 174.733 174.900 0.042 0.000 0.998 890 G CA 0.202 45.335 45.100 0.054 0.000 0.621 890 G HN 0.472 nan 8.290 nan 0.000 0.524 891 E N 0.867 121.080 120.200 0.022 0.000 2.392 891 E HA 0.305 4.657 4.350 0.004 0.000 0.259 891 E C -0.161 176.460 176.600 0.036 0.000 1.108 891 E CA -0.486 55.925 56.400 0.019 0.000 0.916 891 E CB 0.282 29.987 29.700 0.008 0.000 0.989 891 E HN 0.259 nan 8.360 nan 0.000 0.432 892 N N 3.269 121.993 118.700 0.040 0.000 2.437 892 N HA 0.080 4.823 4.740 0.004 0.000 0.243 892 N C -0.666 174.893 175.510 0.081 0.000 1.041 892 N CA -0.047 53.037 53.050 0.057 0.000 0.940 892 N CB 0.755 39.251 38.487 0.014 0.000 1.133 892 N HN 0.359 nan 8.380 nan 0.000 0.506 893 K N -0.924 119.556 120.400 0.134 0.000 2.258 893 K HA 0.526 4.848 4.320 0.004 0.000 0.236 893 K C 0.060 176.861 176.600 0.336 0.000 1.008 893 K CA -0.842 55.549 56.287 0.174 0.000 0.869 893 K CB 0.928 33.488 32.500 0.099 0.000 1.171 893 K HN 0.317 nan 8.250 nan 0.000 0.447 894 S N 0.722 116.592 115.700 0.283 0.000 2.568 894 S HA 0.040 4.512 4.470 0.004 0.000 0.282 894 S C 1.399 176.262 174.600 0.439 0.000 1.338 894 S CA -0.684 57.709 58.200 0.323 0.000 1.045 894 S CB 0.169 63.443 63.200 0.123 0.000 0.873 894 S HN 0.635 nan 8.310 nan 0.000 0.516 895 L N 1.789 123.196 121.223 0.306 0.000 2.042 895 L HA -0.215 4.128 4.340 0.004 0.000 0.210 895 L C 2.542 179.462 176.870 0.084 0.000 1.076 895 L CA 2.065 56.882 54.840 -0.037 0.000 0.749 895 L CB -1.054 40.827 42.059 -0.297 0.000 0.893 895 L HN 0.943 nan 8.230 nan 0.000 0.432 896 N N -0.816 117.950 118.700 0.109 0.000 2.520 896 N HA -0.161 4.581 4.740 0.004 0.000 0.185 896 N C 1.233 176.947 175.510 0.340 0.000 1.068 896 N CA 1.345 54.503 53.050 0.180 0.000 0.911 896 N CB -0.276 38.265 38.487 0.090 0.000 0.961 896 N HN 0.347 nan 8.380 nan 0.000 0.446 897 T N -4.852 109.885 114.554 0.304 0.000 3.092 897 T HA 0.170 4.522 4.350 0.004 0.000 0.258 897 T C -0.237 174.611 174.700 0.246 0.000 1.031 897 T CA -0.647 61.599 62.100 0.244 0.000 0.925 897 T CB -0.520 68.442 68.868 0.157 0.000 1.036 897 T HN 0.020 nan 8.240 nan 0.000 0.544 898 Y N 3.543 123.901 120.300 0.096 0.000 2.497 898 Y HA 0.437 4.990 4.550 0.004 0.000 0.334 898 Y C 1.471 177.412 175.900 0.068 0.000 1.199 898 Y CA -0.503 57.645 58.100 0.080 0.000 1.425 898 Y CB 0.670 39.175 38.460 0.074 0.000 1.291 898 Y HN 0.323 nan 8.280 nan 0.000 0.562 899 T N -2.412 112.231 114.554 0.148 0.000 2.905 899 T HA 0.276 4.628 4.350 0.004 0.000 0.283 899 T C 0.527 175.258 174.700 0.052 0.000 1.031 899 T CA -0.844 61.307 62.100 0.085 0.000 1.002 899 T CB 1.241 70.121 68.868 0.020 0.000 1.200 899 T HN 0.426 nan 8.240 nan 0.000 0.560 900 D N 0.168 120.520 120.400 -0.080 0.000 2.350 900 D HA -0.021 4.621 4.640 0.004 0.000 0.216 900 D C 1.767 177.917 176.300 -0.249 0.000 0.968 900 D CA 0.572 54.353 54.000 -0.365 0.000 0.894 900 D CB 0.086 40.459 40.800 -0.711 0.000 0.909 900 D HN 0.518 nan 8.370 nan 0.000 0.520 901 E N 0.724 120.873 120.200 -0.086 0.000 2.208 901 E HA -0.054 4.299 4.350 0.004 0.000 0.193 901 E C 0.124 176.748 176.600 0.039 0.000 0.988 901 E CA 0.451 56.842 56.400 -0.014 0.000 0.828 901 E CB -0.089 29.599 29.700 -0.020 0.000 0.763 901 E HN 0.403 nan 8.360 nan 0.000 0.478 902 D N 3.041 123.467 120.400 0.042 0.000 2.346 902 D HA 0.093 4.735 4.640 0.004 0.000 0.260 902 D C -2.282 174.121 176.300 0.171 0.000 1.252 902 D CA -1.230 52.793 54.000 0.038 0.000 0.895 902 D CB 0.623 41.395 40.800 -0.047 0.000 1.097 902 D HN -0.060 nan 8.370 nan 0.000 0.489 903 P HA -0.062 nan 4.420 nan 0.000 0.266 903 P C -0.303 177.184 177.300 0.311 0.000 1.186 903 P CA -0.196 62.980 63.100 0.127 0.000 0.767 903 P CB 0.498 31.832 31.700 -0.611 0.000 0.820 904 L N 4.709 126.193 121.223 0.434 0.000 2.325 904 L HA 0.489 4.831 4.340 0.004 0.000 0.281 904 L C -1.293 175.753 176.870 0.293 0.000 1.004 904 L CA -0.363 54.600 54.840 0.205 0.000 0.823 904 L CB 1.557 43.538 42.059 -0.130 0.000 1.236 904 L HN 0.026 nan 8.230 nan 0.000 0.415 905 V N 5.989 126.016 119.914 0.188 0.000 2.407 905 V HA 0.409 4.532 4.120 0.004 0.000 0.291 905 V C -0.482 175.657 176.094 0.075 0.000 1.018 905 V CA -0.370 62.135 62.300 0.342 0.000 0.842 905 V CB 1.250 33.389 31.823 0.527 0.000 0.996 905 V HN 0.529 nan 8.190 nan 0.000 0.426 906 F N 2.768 122.908 119.950 0.316 0.000 2.438 906 F HA 0.326 4.856 4.527 0.004 0.000 0.360 906 F C 0.833 176.703 175.800 0.117 0.000 1.118 906 F CA -0.093 58.045 58.000 0.230 0.000 1.164 906 F CB 0.688 39.882 39.000 0.323 0.000 1.131 906 F HN 0.510 nan 8.300 nan 0.000 0.527 907 E N 3.850 124.149 120.200 0.165 0.000 2.044 907 E HA 0.325 4.678 4.350 0.004 0.000 0.282 907 E C -1.085 175.475 176.600 -0.066 0.000 1.031 907 E CA -0.559 55.808 56.400 -0.055 0.000 0.824 907 E CB 0.745 30.366 29.700 -0.132 0.000 1.076 907 E HN 0.406 nan 8.360 nan 0.000 0.395 908 V N 5.763 125.619 119.914 -0.097 0.000 2.427 908 V HA 0.175 4.297 4.120 0.004 0.000 0.268 908 V C 0.173 176.163 176.094 -0.173 0.000 1.046 908 V CA -0.208 62.066 62.300 -0.044 0.000 0.970 908 V CB -0.395 31.411 31.823 -0.028 0.000 1.001 908 V HN 0.544 nan 8.190 nan 0.000 0.476 909 F N 5.098 125.015 119.950 -0.055 0.000 2.362 909 F HA 0.463 4.992 4.527 0.004 0.000 0.311 909 F C -1.719 174.021 175.800 -0.100 0.000 1.161 909 F CA -2.199 55.739 58.000 -0.104 0.000 1.085 909 F CB 0.381 39.323 39.000 -0.097 0.000 1.311 909 F HN 0.314 nan 8.300 nan 0.000 0.524 910 P HA 0.031 nan 4.420 nan 0.000 0.264 910 P C -0.786 176.583 177.300 0.114 0.000 1.193 910 P CA 0.160 63.276 63.100 0.027 0.000 0.763 910 P CB 0.216 31.892 31.700 -0.039 0.000 0.810 911 L N 2.285 123.547 121.223 0.065 0.000 2.514 911 L HA 0.179 4.521 4.340 0.004 0.000 0.280 911 L C 1.432 178.330 176.870 0.048 0.000 1.223 911 L CA 0.305 55.172 54.840 0.045 0.000 0.864 911 L CB -0.221 41.848 42.059 0.016 0.000 1.118 911 L HN 0.438 nan 8.230 nan 0.000 0.494 912 G N 2.198 111.009 108.800 0.018 0.000 2.428 912 G HA2 0.253 4.215 3.960 0.004 0.000 0.320 912 G HA3 0.253 4.215 3.960 0.004 0.000 0.320 912 G C 0.074 174.960 174.900 -0.023 0.000 1.098 912 G CA -0.339 44.754 45.100 -0.013 0.000 0.984 912 G HN 0.809 nan 8.290 nan 0.000 0.444 913 N N 2.381 121.068 118.700 -0.022 0.000 2.756 913 N HA -0.185 4.557 4.740 0.004 0.000 0.248 913 N C 0.191 175.689 175.510 -0.020 0.000 1.062 913 N CA 0.865 53.901 53.050 -0.023 0.000 0.696 913 N CB -0.748 37.720 38.487 -0.032 0.000 0.946 913 N HN 0.776 nan 8.380 nan 0.000 0.548 914 N N -1.474 117.218 118.700 -0.012 0.000 2.693 914 N HA -0.245 4.497 4.740 0.004 0.000 0.249 914 N C 0.148 175.644 175.510 -0.023 0.000 1.119 914 N CA 1.839 54.881 53.050 -0.014 0.000 0.717 914 N CB -0.746 37.732 38.487 -0.015 0.000 1.071 914 N HN 0.853 nan 8.380 nan 0.000 0.555 915 R N -0.638 119.846 120.500 -0.026 0.000 2.566 915 R HA 0.735 5.077 4.340 0.004 0.000 0.271 915 R C -1.850 174.425 176.300 -0.042 0.000 1.071 915 R CA -0.320 55.754 56.100 -0.043 0.000 0.915 915 R CB 1.445 31.714 30.300 -0.052 0.000 1.228 915 R HN 0.062 nan 8.270 nan 0.000 0.449 916 A N 2.982 125.766 122.820 -0.060 0.000 2.515 916 A HA 0.655 4.977 4.320 0.004 0.000 0.298 916 A C -1.736 175.772 177.584 -0.127 0.000 1.059 916 A CA -0.804 51.201 52.037 -0.053 0.000 0.698 916 A CB 1.791 20.788 19.000 -0.004 0.000 1.289 916 A HN 0.775 nan 8.150 nan 0.000 0.404 917 D N -0.016 120.283 120.400 -0.168 0.000 2.601 917 D HA 0.692 5.335 4.640 0.004 0.000 0.230 917 D C -0.239 175.995 176.300 -0.109 0.000 1.106 917 D CA -0.129 53.676 54.000 -0.324 0.000 0.873 917 D CB 2.387 42.662 40.800 -0.875 0.000 1.515 917 D HN 0.915 nan 8.370 nan 0.000 0.468 918 G N -0.332 108.412 108.800 -0.094 0.000 2.692 918 G HA2 0.613 4.575 3.960 0.004 0.000 0.291 918 G HA3 0.613 4.575 3.960 0.004 0.000 0.291 918 G C -1.526 173.412 174.900 0.064 0.000 1.423 918 G CA -0.669 44.467 45.100 0.059 0.000 0.843 918 G HN 0.395 nan 8.290 nan 0.000 0.486 919 M N 0.324 120.013 119.600 0.149 0.000 2.413 919 M HA 0.618 5.101 4.480 0.004 0.000 0.287 919 M C -2.105 174.316 176.300 0.202 0.000 1.186 919 M CA -0.657 54.738 55.300 0.158 0.000 0.927 919 M CB 2.153 34.858 32.600 0.174 0.000 1.715 919 M HN 0.803 nan 8.290 nan 0.000 0.478 920 C N 4.332 123.761 119.300 0.216 0.000 2.599 920 C HA 0.491 4.953 4.460 0.004 0.000 0.354 920 C C -1.138 173.911 174.990 0.098 0.000 1.092 920 C CA -0.515 58.614 59.018 0.184 0.000 1.280 920 C CB 0.664 28.562 27.740 0.262 0.000 1.829 920 C HN 0.916 nan 8.230 nan 0.000 0.454 921 Y N 5.677 125.912 120.300 -0.108 0.000 2.411 921 Y HA 0.616 5.169 4.550 0.004 0.000 0.333 921 Y C -0.665 175.178 175.900 -0.094 0.000 1.186 921 Y CA 0.314 58.255 58.100 -0.264 0.000 1.381 921 Y CB 0.474 38.658 38.460 -0.461 0.000 1.273 921 Y HN 0.665 nan 8.280 nan 0.000 0.546 922 L N 7.019 127.781 121.223 -0.769 0.000 2.438 922 L HA 0.392 4.734 4.340 0.004 0.000 0.270 922 L C -1.220 175.152 176.870 -0.830 0.000 0.972 922 L CA -0.795 53.753 54.840 -0.487 0.000 0.831 922 L CB 1.857 43.881 42.059 -0.058 0.000 1.273 922 L HN 0.790 nan 8.230 nan 0.000 0.405 923 D N 0.085 120.054 120.400 -0.719 0.000 2.798 923 D HA 0.167 4.809 4.640 0.004 0.000 0.308 923 D C -0.181 175.576 176.300 -0.905 0.000 1.187 923 D CA -0.537 52.951 54.000 -0.854 0.000 1.033 923 D CB 0.744 41.362 40.800 -0.304 0.000 1.445 923 D HN 0.446 nan 8.370 nan 0.000 0.550 924 D N -1.528 118.518 120.400 -0.589 0.000 2.323 924 D HA 0.220 4.862 4.640 0.004 0.000 0.239 924 D C 1.511 177.794 176.300 -0.028 0.000 1.129 924 D CA 0.548 54.411 54.000 -0.228 0.000 0.865 924 D CB -0.411 40.393 40.800 0.008 0.000 0.913 924 D HN 0.861 nan 8.370 nan 0.000 0.517 925 G N -0.547 108.233 108.800 -0.034 0.000 2.267 925 G HA2 -0.212 3.751 3.960 0.004 0.000 0.257 925 G HA3 -0.212 3.751 3.960 0.004 0.000 0.257 925 G C 1.139 176.020 174.900 -0.031 0.000 0.998 925 G CA 0.314 45.390 45.100 -0.040 0.000 0.620 925 G HN 1.496 nan 8.290 nan 0.000 0.529 926 G N -2.071 106.763 108.800 0.057 0.000 2.143 926 G HA2 0.001 3.963 3.960 0.004 0.000 0.175 926 G HA3 0.001 3.963 3.960 0.004 0.000 0.175 926 G C 1.115 176.163 174.900 0.247 0.000 1.004 926 G CA 0.949 46.084 45.100 0.057 0.000 0.671 926 G HN 1.400 nan 8.290 nan 0.000 0.512 927 V N 0.915 120.997 119.914 0.280 0.000 2.332 927 V HA 0.007 4.129 4.120 0.004 0.000 0.248 927 V C 2.055 178.190 176.094 0.068 0.000 1.055 927 V CA 2.844 65.242 62.300 0.162 0.000 1.038 927 V CB -0.636 31.217 31.823 0.050 0.000 0.651 927 V HN 1.115 nan 8.190 nan 0.000 0.450 928 T N -3.120 111.470 114.554 0.061 0.000 2.883 928 T HA 0.391 4.743 4.350 0.004 0.000 0.284 928 T C 0.435 175.155 174.700 0.033 0.000 1.041 928 T CA 0.222 62.344 62.100 0.037 0.000 1.007 928 T CB 1.795 70.683 68.868 0.033 0.000 1.220 928 T HN 0.248 nan 8.240 nan 0.000 0.552 929 T N -1.914 112.654 114.554 0.022 0.000 3.214 929 T HA 0.282 4.634 4.350 0.004 0.000 0.264 929 T C 0.896 175.613 174.700 0.027 0.000 1.012 929 T CA -0.456 61.652 62.100 0.014 0.000 0.901 929 T CB -0.989 67.880 68.868 0.001 0.000 1.070 929 T HN 0.656 nan 8.240 nan 0.000 0.561 930 N N 1.395 120.121 118.700 0.043 0.000 2.331 930 N HA 0.065 4.807 4.740 0.004 0.000 0.180 930 N C 2.270 177.842 175.510 0.103 0.000 1.019 930 N CA 0.727 53.815 53.050 0.062 0.000 0.881 930 N CB -0.159 38.366 38.487 0.063 0.000 0.972 930 N HN 0.516 nan 8.380 nan 0.000 0.435 931 A N 2.311 125.199 122.820 0.114 0.000 1.873 931 A HA -0.232 4.090 4.320 0.004 0.000 0.218 931 A C 2.137 179.817 177.584 0.159 0.000 1.193 931 A CA 1.808 53.968 52.037 0.205 0.000 0.629 931 A CB -0.415 18.659 19.000 0.124 0.000 0.826 931 A HN 0.460 nan 8.150 nan 0.000 0.447 932 E N -0.828 119.394 120.200 0.037 0.000 2.250 932 E HA -0.098 4.254 4.350 0.004 0.000 0.192 932 E C 0.602 177.211 176.600 0.014 0.000 0.986 932 E CA 1.094 57.487 56.400 -0.011 0.000 0.849 932 E CB -0.421 29.237 29.700 -0.069 0.000 0.797 932 E HN 0.521 nan 8.360 nan 0.000 0.482 933 D N 1.398 121.814 120.400 0.027 0.000 2.213 933 D HA -0.028 4.614 4.640 0.004 0.000 0.205 933 D C 0.420 176.742 176.300 0.038 0.000 0.961 933 D CA 0.981 54.994 54.000 0.021 0.000 0.853 933 D CB -0.038 40.772 40.800 0.016 0.000 0.967 933 D HN 0.348 nan 8.370 nan 0.000 0.496 934 N N -1.287 117.452 118.700 0.065 0.000 2.232 934 N HA 0.294 5.036 4.740 0.004 0.000 0.240 934 N C 0.565 176.134 175.510 0.098 0.000 1.307 934 N CA 0.174 53.264 53.050 0.066 0.000 0.859 934 N CB 1.568 40.083 38.487 0.048 0.000 1.260 934 N HN -0.002 nan 8.380 nan 0.000 0.501 935 G N 1.296 110.206 108.800 0.183 0.000 2.305 935 G HA2 -0.363 3.599 3.960 0.004 0.000 0.287 935 G HA3 -0.363 3.599 3.960 0.004 0.000 0.287 935 G C -0.203 174.774 174.900 0.128 0.000 1.036 935 G CA 0.207 45.492 45.100 0.307 0.000 0.887 935 G HN 0.227 nan 8.290 nan 0.000 0.505 936 K N 0.225 120.729 120.400 0.175 0.000 2.155 936 K HA 0.517 4.840 4.320 0.004 0.000 0.240 936 K C 0.248 176.954 176.600 0.176 0.000 1.193 936 K CA -0.144 56.203 56.287 0.099 0.000 1.104 936 K CB -0.348 32.216 32.500 0.106 0.000 1.558 936 K HN 0.555 nan 8.250 nan 0.000 0.313 937 F N -2.881 117.026 119.950 -0.071 0.000 2.692 937 F HA 0.687 5.216 4.527 0.004 0.000 0.320 937 F C -0.538 175.112 175.800 -0.250 0.000 1.123 937 F CA -1.320 56.541 58.000 -0.231 0.000 0.961 937 F CB 1.305 40.126 39.000 -0.298 0.000 1.383 937 F HN -0.186 nan 8.300 nan 0.000 0.483 938 S N 0.728 116.266 115.700 -0.270 0.000 2.532 938 S HA 0.674 5.146 4.470 0.004 0.000 0.299 938 S C -1.282 173.207 174.600 -0.186 0.000 1.105 938 S CA -0.718 57.319 58.200 -0.272 0.000 1.018 938 S CB 1.847 64.823 63.200 -0.374 0.000 1.021 938 S HN 0.574 nan 8.310 nan 0.000 0.483 939 V N 3.885 123.759 119.914 -0.066 0.000 2.294 939 V HA 0.326 4.448 4.120 0.004 0.000 0.272 939 V C -0.152 175.981 176.094 0.066 0.000 1.027 939 V CA -0.609 61.677 62.300 -0.024 0.000 0.823 939 V CB 0.996 32.839 31.823 0.033 0.000 1.030 939 V HN 0.681 nan 8.190 nan 0.000 0.457 940 V N 5.701 125.667 119.914 0.086 0.000 2.498 940 V HA 0.401 4.523 4.120 0.004 0.000 0.279 940 V C 0.290 176.419 176.094 0.060 0.000 1.048 940 V CA -0.447 61.920 62.300 0.112 0.000 0.967 940 V CB 1.442 33.366 31.823 0.168 0.000 0.988 940 V HN 0.753 nan 8.190 nan 0.000 0.473 941 K N 2.821 123.210 120.400 -0.018 0.000 2.316 941 K HA 0.798 5.121 4.320 0.004 0.000 0.251 941 K C -1.465 174.940 176.600 -0.326 0.000 0.934 941 K CA -0.618 55.608 56.287 -0.100 0.000 0.802 941 K CB 2.611 35.085 32.500 -0.043 0.000 1.171 941 K HN 0.448 nan 8.250 nan 0.000 0.426 942 V N 0.875 120.523 119.914 -0.443 0.000 3.007 942 V HA 0.882 5.004 4.120 0.004 0.000 0.311 942 V C -1.806 174.035 176.094 -0.423 0.000 1.120 942 V CA -0.420 61.440 62.300 -0.734 0.000 0.980 942 V CB 1.984 32.989 31.823 -1.364 0.000 1.033 942 V HN 0.922 nan 8.190 nan 0.000 0.429 943 A N 4.119 126.715 122.820 -0.372 0.000 2.486 943 A HA 1.023 5.346 4.320 0.004 0.000 0.300 943 A C -0.718 176.757 177.584 -0.183 0.000 1.048 943 A CA -0.114 51.781 52.037 -0.237 0.000 0.696 943 A CB 1.871 20.760 19.000 -0.184 0.000 1.278 943 A HN 2.155 nan 8.150 nan 0.000 0.405 944 A N 1.420 124.160 122.820 -0.132 0.000 2.386 944 A HA 0.849 5.171 4.320 0.004 0.000 0.311 944 A C -0.726 176.818 177.584 -0.067 0.000 1.068 944 A CA -0.422 51.564 52.037 -0.085 0.000 0.743 944 A CB 1.218 20.180 19.000 -0.064 0.000 1.258 944 A HN 0.780 nan 8.150 nan 0.000 0.429 945 E N 0.393 120.564 120.200 -0.049 0.000 2.292 945 E HA 0.425 4.778 4.350 0.004 0.000 0.272 945 E C -1.249 175.334 176.600 -0.029 0.000 0.881 945 E CA -0.604 55.773 56.400 -0.040 0.000 0.754 945 E CB 2.196 31.872 29.700 -0.040 0.000 1.201 945 E HN 0.613 nan 8.360 nan 0.000 0.425 946 Q N 1.860 121.645 119.800 -0.024 0.000 2.241 946 Q HA 0.370 4.712 4.340 0.004 0.000 0.254 946 Q C -1.555 174.435 176.000 -0.018 0.000 0.917 946 Q CA -0.237 55.555 55.803 -0.019 0.000 0.919 946 Q CB 1.123 29.852 28.738 -0.015 0.000 1.237 946 Q HN 0.309 nan 8.270 nan 0.000 0.434 947 D N 3.154 123.544 120.400 -0.016 0.000 2.411 947 D HA 0.398 5.041 4.640 0.004 0.000 0.239 947 D C 0.283 176.575 176.300 -0.013 0.000 1.307 947 D CA 0.883 54.874 54.000 -0.015 0.000 0.930 947 D CB 0.180 40.970 40.800 -0.016 0.000 1.395 947 D HN 0.692 nan 8.370 nan 0.000 0.536 948 G N 2.743 111.536 108.800 -0.011 0.000 2.565 948 G HA2 -0.325 3.637 3.960 0.004 0.000 0.295 948 G HA3 -0.325 3.637 3.960 0.004 0.000 0.295 948 G C 1.103 175.996 174.900 -0.011 0.000 1.165 948 G CA 0.541 45.635 45.100 -0.010 0.000 0.977 948 G HN 0.830 nan 8.290 nan 0.000 0.546 949 G N -0.588 108.205 108.800 -0.012 0.000 2.539 949 G HA2 0.354 4.317 3.960 0.004 0.000 0.215 949 G HA3 0.354 4.317 3.960 0.004 0.000 0.215 949 G C 0.847 175.737 174.900 -0.018 0.000 1.141 949 G CA 1.598 46.689 45.100 -0.015 0.000 0.806 949 G HN 1.067 nan 8.290 nan 0.000 0.533 950 T N 1.533 116.077 114.554 -0.017 0.000 2.737 950 T HA 0.299 4.651 4.350 0.004 0.000 0.296 950 T C -0.392 174.297 174.700 -0.017 0.000 0.922 950 T CA 0.025 62.115 62.100 -0.017 0.000 1.079 950 T CB 1.460 70.320 68.868 -0.014 0.000 0.892 950 T HN 0.234 nan 8.240 nan 0.000 0.514 951 E N 2.733 122.922 120.200 -0.020 0.000 2.146 951 E HA 0.248 4.600 4.350 0.004 0.000 0.282 951 E C -0.700 175.892 176.600 -0.013 0.000 0.989 951 E CA -0.475 55.913 56.400 -0.020 0.000 0.799 951 E CB 0.715 30.400 29.700 -0.025 0.000 1.088 951 E HN 0.417 nan 8.360 nan 0.000 0.397 952 T N 5.744 120.290 114.554 -0.013 0.000 2.874 952 T HA 0.368 4.720 4.350 0.004 0.000 0.321 952 T C 0.071 174.763 174.700 -0.013 0.000 1.075 952 T CA -0.407 61.690 62.100 -0.005 0.000 0.966 952 T CB -0.058 68.805 68.868 -0.007 0.000 1.001 952 T HN 0.380 nan 8.240 nan 0.000 0.476 953 I N 3.671 124.246 120.570 0.008 0.000 2.312 953 I HA 0.272 4.445 4.170 0.004 0.000 0.291 953 I C 0.366 176.500 176.117 0.027 0.000 1.031 953 I CA -0.276 61.023 61.300 -0.002 0.000 1.293 953 I CB 0.952 38.982 38.000 0.049 0.000 1.403 953 I HN 0.464 nan 8.210 nan 0.000 0.484 954 T N 6.043 120.559 114.554 -0.064 0.000 2.807 954 T HA 0.499 4.851 4.350 0.004 0.000 0.279 954 T C -0.521 174.092 174.700 -0.145 0.000 0.993 954 T CA -0.441 61.642 62.100 -0.028 0.000 0.970 954 T CB 0.886 69.726 68.868 -0.047 0.000 0.950 954 T HN 0.086 nan 8.240 nan 0.000 0.441 955 F N 2.873 122.759 119.950 -0.105 0.000 2.404 955 F HA 0.511 5.040 4.527 0.004 0.000 0.354 955 F C 1.295 177.016 175.800 -0.132 0.000 1.122 955 F CA -0.463 57.439 58.000 -0.163 0.000 1.080 955 F CB 1.519 40.391 39.000 -0.213 0.000 1.131 955 F HN 0.651 nan 8.300 nan 0.000 0.471 956 T N 0.087 114.628 114.554 -0.020 0.000 2.762 956 T HA 0.756 5.108 4.350 0.004 0.000 0.272 956 T C -1.015 173.686 174.700 0.002 0.000 0.982 956 T CA -1.053 61.039 62.100 -0.013 0.000 1.013 956 T CB 2.027 70.878 68.868 -0.028 0.000 1.309 956 T HN 0.578 nan 8.240 nan 0.000 0.572 957 N N -1.468 117.241 118.700 0.015 0.000 2.446 957 N HA 0.349 5.091 4.740 0.004 0.000 0.272 957 N C -0.731 174.817 175.510 0.062 0.000 1.127 957 N CA -0.722 52.360 53.050 0.054 0.000 0.896 957 N CB 1.236 39.779 38.487 0.092 0.000 1.658 957 N HN 0.372 nan 8.380 nan 0.000 0.483 958 D N -0.092 120.362 120.400 0.089 0.000 2.162 958 D HA 0.059 4.701 4.640 0.004 0.000 0.203 958 D C 0.557 176.899 176.300 0.070 0.000 0.967 958 D CA 1.225 55.290 54.000 0.109 0.000 0.840 958 D CB -0.121 40.794 40.800 0.192 0.000 0.972 958 D HN 0.758 nan 8.370 nan 0.000 0.482 959 C N -2.551 116.766 119.300 0.029 0.000 3.340 959 C HA 0.692 5.154 4.460 0.004 0.000 0.333 959 C C -0.934 174.078 174.990 0.036 0.000 1.464 959 C CA -1.167 57.828 59.018 -0.038 0.000 1.337 959 C CB 0.942 28.552 27.740 -0.217 0.000 1.740 959 C HN 0.226 nan 8.230 nan 0.000 0.450 960 Y N 0.082 120.293 120.300 -0.149 0.000 2.580 960 Y HA 0.406 4.958 4.550 0.004 0.000 0.305 960 Y C 0.696 176.529 175.900 -0.111 0.000 1.069 960 Y CA 0.129 58.163 58.100 -0.110 0.000 1.193 960 Y CB 0.206 38.625 38.460 -0.069 0.000 1.126 960 Y HN 0.861 nan 8.280 nan 0.000 0.610 961 E N 1.186 121.250 120.200 -0.227 0.000 2.474 961 E HA 0.111 4.464 4.350 0.004 0.000 0.195 961 E C -1.356 175.169 176.600 -0.126 0.000 1.039 961 E CA 0.353 56.652 56.400 -0.168 0.000 0.881 961 E CB 0.211 29.776 29.700 -0.225 0.000 0.970 961 E HN 0.459 nan 8.360 nan 0.000 0.486 962 Y N -0.663 119.391 120.300 -0.411 0.000 2.361 962 Y HA 0.440 4.992 4.550 0.004 0.000 0.337 962 Y C -1.150 174.426 175.900 -0.540 0.000 0.965 962 Y CA -1.261 56.625 58.100 -0.355 0.000 1.091 962 Y CB 1.251 39.549 38.460 -0.270 0.000 1.182 962 Y HN -0.336 nan 8.280 nan 0.000 0.450 963 V N 8.162 127.517 119.914 -0.932 0.000 2.368 963 V HA 0.098 4.220 4.120 0.004 0.000 0.266 963 V C -0.197 175.502 176.094 -0.658 0.000 1.045 963 V CA -0.545 61.419 62.300 -0.559 0.000 0.899 963 V CB 0.018 31.712 31.823 -0.216 0.000 1.006 963 V HN 0.708 nan 8.190 nan 0.000 0.470 964 F N 4.528 124.270 119.950 -0.346 0.000 2.538 964 F HA 0.373 4.902 4.527 0.004 0.000 0.382 964 F C 1.315 177.101 175.800 -0.023 0.000 1.069 964 F CA -0.142 57.816 58.000 -0.071 0.000 1.138 964 F CB 0.637 39.711 39.000 0.123 0.000 1.068 964 F HN 0.521 nan 8.300 nan 0.000 0.556 965 G N 4.305 112.822 108.800 -0.471 0.000 3.496 965 G HA2 0.454 4.416 3.960 0.004 0.000 0.273 965 G HA3 0.454 4.416 3.960 0.004 0.000 0.273 965 G C 0.267 174.994 174.900 -0.289 0.000 1.279 965 G CA 0.258 45.183 45.100 -0.292 0.000 1.041 965 G HN 1.032 nan 8.290 nan 0.000 0.539 966 G N -0.289 108.301 108.800 -0.350 0.000 2.682 966 G HA2 0.692 4.654 3.960 0.004 0.000 0.290 966 G HA3 0.692 4.654 3.960 0.004 0.000 0.290 966 G C -3.197 171.876 174.900 0.287 0.000 1.425 966 G CA -1.190 43.867 45.100 -0.071 0.000 0.807 966 G HN -0.041 nan 8.290 nan 0.000 0.482 967 P HA 0.346 nan 4.420 nan 0.000 0.271 967 P C -1.027 176.473 177.300 0.334 0.000 1.216 967 P CA -0.025 63.171 63.100 0.160 0.000 0.776 967 P CB 0.748 32.436 31.700 -0.021 0.000 0.881 968 F N 1.506 121.484 119.950 0.047 0.000 2.579 968 F HA 0.738 5.267 4.527 0.004 0.000 0.324 968 F C -1.238 174.529 175.800 -0.054 0.000 1.058 968 F CA -1.370 56.696 58.000 0.109 0.000 0.944 968 F CB 1.152 40.179 39.000 0.045 0.000 1.245 968 F HN 0.201 nan 8.300 nan 0.000 0.477 969 Y N 0.475 120.998 120.300 0.372 0.000 2.602 969 Y HA 0.735 5.288 4.550 0.004 0.000 0.342 969 Y C -0.890 175.275 175.900 0.442 0.000 1.029 969 Y CA -1.431 56.856 58.100 0.310 0.000 1.080 969 Y CB 2.353 41.111 38.460 0.496 0.000 1.284 969 Y HN 0.527 nan 8.280 nan 0.000 0.485 970 V N 2.258 122.453 119.914 0.469 0.000 2.483 970 V HA 0.469 4.592 4.120 0.004 0.000 0.297 970 V C -0.748 175.426 176.094 0.133 0.000 1.027 970 V CA -0.969 61.548 62.300 0.361 0.000 0.855 970 V CB 1.647 33.658 31.823 0.313 0.000 0.995 970 V HN 0.671 nan 8.190 nan 0.000 0.424 971 R N 3.891 124.337 120.500 -0.090 0.000 2.310 971 R HA 0.676 5.018 4.340 0.004 0.000 0.324 971 R C -1.588 174.519 176.300 -0.322 0.000 0.955 971 R CA -0.399 55.396 56.100 -0.509 0.000 0.830 971 R CB 1.727 31.416 30.300 -1.019 0.000 1.154 971 R HN 0.532 nan 8.270 nan 0.000 0.458 972 V N 6.377 126.133 119.914 -0.265 0.000 2.304 972 V HA 0.326 4.449 4.120 0.004 0.000 0.269 972 V C 0.285 176.256 176.094 -0.205 0.000 1.036 972 V CA -0.887 61.305 62.300 -0.180 0.000 0.840 972 V CB 0.923 32.687 31.823 -0.100 0.000 1.036 972 V HN 0.654 nan 8.190 nan 0.000 0.466 973 R N 3.388 123.742 120.500 -0.244 0.000 2.484 973 R HA 0.284 4.626 4.340 0.004 0.000 0.293 973 R C 1.340 177.560 176.300 -0.133 0.000 1.023 973 R CA 0.784 56.757 56.100 -0.211 0.000 1.037 973 R CB 0.043 30.166 30.300 -0.295 0.000 0.951 973 R HN 1.146 nan 8.270 nan 0.000 0.418 974 G N 0.662 109.405 108.800 -0.094 0.000 2.132 974 G HA2 -0.256 3.706 3.960 0.004 0.000 0.234 974 G HA3 -0.256 3.706 3.960 0.004 0.000 0.234 974 G C 0.013 174.883 174.900 -0.050 0.000 0.989 974 G CA 0.178 45.243 45.100 -0.057 0.000 0.676 974 G HN 0.871 nan 8.290 nan 0.000 0.522 975 A N -1.031 121.750 122.820 -0.066 0.000 2.340 975 A HA 0.915 5.238 4.320 0.004 0.000 0.331 975 A C 0.416 177.965 177.584 -0.057 0.000 1.140 975 A CA -0.092 51.909 52.037 -0.060 0.000 0.801 975 A CB 1.533 20.489 19.000 -0.072 0.000 1.234 975 A HN 0.152 nan 8.150 nan 0.000 0.469 976 Q N 0.155 119.926 119.800 -0.048 0.000 2.282 976 Q HA 0.324 4.666 4.340 0.004 0.000 0.193 976 Q C 0.022 176.007 176.000 -0.026 0.000 0.742 976 Q CA 0.029 55.809 55.803 -0.038 0.000 0.560 976 Q CB 0.038 28.761 28.738 -0.025 0.000 2.766 976 Q HN 0.643 nan 8.270 nan 0.000 0.318 977 S N 3.151 118.844 115.700 -0.011 0.000 2.404 977 S HA 0.424 4.896 4.470 0.004 0.000 0.309 977 S C -2.182 172.398 174.600 -0.033 0.000 1.076 977 S CA -1.074 57.135 58.200 0.014 0.000 1.095 977 S CB 0.402 63.626 63.200 0.039 0.000 0.972 977 S HN 0.118 nan 8.310 nan 0.000 0.484 978 P HA 0.409 nan 4.420 nan 0.000 0.279 978 P C 0.337 177.592 177.300 -0.075 0.000 1.252 978 P CA -0.545 62.462 63.100 -0.155 0.000 0.811 978 P CB 1.158 32.644 31.700 -0.358 0.000 1.035 979 S N -0.253 115.416 115.700 -0.050 0.000 2.371 979 S HA 0.008 4.481 4.470 0.004 0.000 0.221 979 S C 0.848 175.453 174.600 0.008 0.000 1.036 979 S CA 0.621 58.819 58.200 -0.004 0.000 0.965 979 S CB -0.272 62.927 63.200 -0.002 0.000 0.845 979 S HN 0.671 nan 8.310 nan 0.000 0.475 980 N N -0.154 118.529 118.700 -0.028 0.000 2.446 980 N HA 0.311 5.053 4.740 0.004 0.000 0.272 980 N C -2.185 173.299 175.510 -0.043 0.000 1.127 980 N CA -0.285 52.765 53.050 0.000 0.000 0.896 980 N CB 1.302 39.815 38.487 0.044 0.000 1.658 980 N HN 0.038 nan 8.380 nan 0.000 0.483 981 I N 2.504 123.054 120.570 -0.034 0.000 2.382 981 I HA 0.211 4.384 4.170 0.004 0.000 0.286 981 I C -0.542 175.620 176.117 0.074 0.000 1.002 981 I CA -0.669 60.617 61.300 -0.024 0.000 1.135 981 I CB 1.440 39.369 38.000 -0.119 0.000 1.288 981 I HN 0.506 nan 8.210 nan 0.000 0.448 982 H N 5.676 124.746 119.070 -0.001 0.000 2.458 982 H HA 0.570 5.128 4.556 0.004 0.000 0.330 982 H C -1.286 174.051 175.328 0.016 0.000 1.111 982 H CA -0.396 55.660 56.048 0.013 0.000 1.245 982 H CB 1.635 31.402 29.762 0.008 0.000 1.456 982 H HN 0.274 nan 8.280 nan 0.000 0.488 983 V N 5.063 124.689 119.914 -0.480 0.000 2.304 983 V HA 0.176 4.298 4.120 0.004 0.000 0.278 983 V C -0.067 175.810 176.094 -0.362 0.000 1.018 983 V CA -0.617 61.515 62.300 -0.280 0.000 0.814 983 V CB 0.958 32.684 31.823 -0.161 0.000 1.021 983 V HN 0.875 nan 8.190 nan 0.000 0.440 984 S N 4.279 119.906 115.700 -0.122 0.000 2.523 984 S HA 0.668 5.140 4.470 0.004 0.000 0.275 984 S C -0.171 174.422 174.600 -0.011 0.000 1.281 984 S CA -0.018 58.183 58.200 0.002 0.000 1.050 984 S CB 1.049 64.327 63.200 0.131 0.000 0.937 984 S HN 0.924 nan 8.310 nan 0.000 0.492 985 S N 2.657 118.349 115.700 -0.014 0.000 2.542 985 S HA 0.503 4.976 4.470 0.004 0.000 0.276 985 S C 0.884 175.473 174.600 -0.017 0.000 1.148 985 S CA -0.124 58.065 58.200 -0.020 0.000 0.886 985 S CB 0.711 63.889 63.200 -0.037 0.000 1.109 985 S HN 1.018 nan 8.310 nan 0.000 0.458 986 G N 2.083 110.871 108.800 -0.021 0.000 2.501 986 G HA2 0.054 4.016 3.960 0.004 0.000 0.220 986 G HA3 0.054 4.016 3.960 0.004 0.000 0.220 986 G C 1.086 175.972 174.900 -0.024 0.000 1.114 986 G CA 0.862 45.950 45.100 -0.020 0.000 0.757 986 G HN 1.169 nan 8.290 nan 0.000 0.559 987 A N -0.586 122.215 122.820 -0.032 0.000 2.307 987 A HA 0.595 4.918 4.320 0.004 0.000 0.218 987 A C 1.053 178.622 177.584 -0.026 0.000 1.228 987 A CA 0.875 52.894 52.037 -0.030 0.000 0.857 987 A CB -0.106 18.871 19.000 -0.038 0.000 0.897 987 A HN 1.551 nan 8.150 nan 0.000 0.495 988 G N -1.187 107.598 108.800 -0.025 0.000 2.760 988 G HA2 0.257 4.219 3.960 0.004 0.000 0.540 988 G HA3 0.257 4.219 3.960 0.004 0.000 0.540 988 G C -0.657 174.219 174.900 -0.040 0.000 1.476 988 G CA -0.169 44.916 45.100 -0.025 0.000 0.949 988 G HN 0.374 nan 8.290 nan 0.000 0.633 989 S N 0.550 116.232 115.700 -0.030 0.000 2.578 989 S HA 0.860 5.332 4.470 0.004 0.000 0.283 989 S C -0.075 174.468 174.600 -0.094 0.000 1.195 989 S CA -0.271 57.892 58.200 -0.062 0.000 1.050 989 S CB 1.648 64.871 63.200 0.038 0.000 1.012 989 S HN 0.970 nan 8.310 nan 0.000 0.511 990 Q N 2.332 121.986 119.800 -0.243 0.000 2.468 990 Q HA 0.204 4.546 4.340 0.004 0.000 0.263 990 Q C -2.233 173.614 176.000 -0.256 0.000 0.979 990 Q CA -0.682 55.020 55.803 -0.167 0.000 0.932 990 Q CB 1.199 29.872 28.738 -0.108 0.000 1.462 990 Q HN 0.478 nan 8.270 nan 0.000 0.403 991 D N 3.640 124.009 120.400 -0.052 0.000 2.256 991 D HA 0.367 5.009 4.640 0.004 0.000 0.250 991 D C -0.074 176.256 176.300 0.051 0.000 1.093 991 D CA 0.118 54.141 54.000 0.039 0.000 0.882 991 D CB 1.006 41.885 40.800 0.132 0.000 1.185 991 D HN 0.492 nan 8.370 nan 0.000 0.437 992 M N 1.692 121.352 119.600 0.101 0.000 2.249 992 M HA 0.232 4.714 4.480 0.004 0.000 0.351 992 M C 0.519 176.988 176.300 0.282 0.000 1.180 992 M CA -0.410 54.999 55.300 0.182 0.000 1.127 992 M CB 1.072 33.829 32.600 0.261 0.000 1.546 992 M HN 0.140 nan 8.290 nan 0.000 0.461 993 K N 0.926 121.417 120.400 0.153 0.000 2.221 993 K HA 0.640 4.962 4.320 0.004 0.000 0.243 993 K C -0.780 175.572 176.600 -0.414 0.000 0.968 993 K CA -1.012 55.289 56.287 0.022 0.000 0.846 993 K CB 1.941 34.431 32.500 -0.018 0.000 1.141 993 K HN 0.469 nan 8.250 nan 0.000 0.434 994 V N 1.627 121.160 119.914 -0.634 0.000 2.585 994 V HA 0.031 4.153 4.120 0.004 0.000 0.296 994 V C -0.218 175.595 176.094 -0.468 0.000 1.035 994 V CA 0.192 61.877 62.300 -1.025 0.000 1.084 994 V CB 1.142 32.641 31.823 -0.540 0.000 0.953 994 V HN 0.907 nan 8.190 nan 0.000 0.483 995 S N 4.196 119.665 115.700 -0.385 0.000 2.523 995 S HA 0.196 4.668 4.470 0.004 0.000 0.275 995 S C 1.193 175.723 174.600 -0.118 0.000 1.281 995 S CA -0.035 58.061 58.200 -0.173 0.000 1.050 995 S CB 1.086 64.231 63.200 -0.093 0.000 0.937 995 S HN 1.224 nan 8.310 nan 0.000 0.492 996 S N 3.689 119.327 115.700 -0.103 0.000 2.727 996 S HA 0.276 4.748 4.470 0.004 0.000 0.226 996 S C 0.613 175.147 174.600 -0.111 0.000 0.963 996 S CA -0.100 58.048 58.200 -0.085 0.000 0.950 996 S CB -0.433 62.725 63.200 -0.070 0.000 0.779 996 S HN 0.889 nan 8.310 nan 0.000 0.532 997 A N 1.695 124.422 122.820 -0.155 0.000 2.331 997 A HA 0.587 4.909 4.320 0.004 0.000 0.283 997 A C 0.927 178.289 177.584 -0.370 0.000 1.142 997 A CA -0.289 51.586 52.037 -0.269 0.000 0.812 997 A CB 0.549 19.354 19.000 -0.325 0.000 1.074 997 A HN 0.483 nan 8.150 nan 0.000 0.497 998 T N -1.599 112.694 114.554 -0.435 0.000 3.275 998 T HA 0.434 4.787 4.350 0.004 0.000 0.298 998 T C 0.190 174.600 174.700 -0.484 0.000 0.988 998 T CA 0.358 62.270 62.100 -0.314 0.000 0.936 998 T CB -0.854 67.984 68.868 -0.050 0.000 1.159 998 T HN 1.324 nan 8.240 nan 0.000 0.519 999 S N -0.203 114.902 115.700 -0.991 0.000 2.607 999 S HA 0.577 5.050 4.470 0.004 0.000 0.273 999 S C 0.615 174.230 174.600 -1.642 0.000 1.148 999 S CA -1.065 56.491 58.200 -1.073 0.000 0.833 999 S CB 2.503 65.395 63.200 -0.514 0.000 1.130 999 S HN 0.086 nan 8.310 nan 0.000 0.470 1000 R N 0.273 119.899 120.500 -1.458 0.000 2.075 1000 R HA -0.009 4.333 4.340 0.004 0.000 0.232 1000 R C 2.309 177.867 176.300 -1.237 0.000 1.126 1000 R CA 1.584 56.789 56.100 -1.492 0.000 0.963 1000 R CB -1.031 28.562 30.300 -1.178 0.000 0.858 1000 R HN 0.834 nan 8.270 nan 0.000 0.435 1001 A N 0.953 123.314 122.820 -0.766 0.000 1.892 1001 A HA -0.194 4.128 4.320 0.004 0.000 0.218 1001 A C 2.357 179.705 177.584 -0.394 0.000 1.188 1001 A CA 2.020 53.782 52.037 -0.459 0.000 0.631 1001 A CB -0.881 17.946 19.000 -0.288 0.000 0.822 1001 A HN 0.529 nan 8.150 nan 0.000 0.447 1002 A N -0.826 121.721 122.820 -0.455 0.000 1.933 1002 A HA -0.003 4.319 4.320 0.004 0.000 0.218 1002 A C 2.141 179.527 177.584 -0.329 0.000 1.175 1002 A CA 1.733 53.559 52.037 -0.352 0.000 0.628 1002 A CB -0.561 18.216 19.000 -0.372 0.000 0.814 1002 A HN 0.804 nan 8.150 nan 0.000 0.444 1003 L N -1.569 119.348 121.223 -0.511 0.000 2.056 1003 L HA -0.024 4.318 4.340 0.004 0.000 0.207 1003 L C 2.055 178.944 176.870 0.030 0.000 1.078 1003 L CA 1.830 56.480 54.840 -0.316 0.000 0.749 1003 L CB -0.693 41.072 42.059 -0.490 0.000 0.901 1003 L HN 0.293 nan 8.230 nan 0.000 0.433 1004 F N 0.276 120.146 119.950 -0.135 0.000 2.146 1004 F HA -0.137 4.393 4.527 0.004 0.000 0.298 1004 F C 2.537 178.357 175.800 0.033 0.000 1.096 1004 F CA 1.226 59.226 58.000 -0.000 0.000 1.275 1004 F CB -1.192 37.738 39.000 -0.116 0.000 1.008 1004 F HN 0.280 nan 8.300 nan 0.000 0.480 1005 N N -0.462 118.327 118.700 0.148 0.000 2.305 1005 N HA -0.080 4.662 4.740 0.004 0.000 0.179 1005 N C 0.996 176.521 175.510 0.025 0.000 1.019 1005 N CA 1.212 54.302 53.050 0.067 0.000 0.869 1005 N CB 0.049 38.545 38.487 0.016 0.000 1.000 1005 N HN 0.242 nan 8.380 nan 0.000 0.431 1006 D N 0.137 120.528 120.400 -0.014 0.000 2.422 1006 D HA 0.071 4.713 4.640 0.004 0.000 0.218 1006 D C 1.055 177.338 176.300 -0.027 0.000 1.047 1006 D CA 0.133 54.112 54.000 -0.034 0.000 0.885 1006 D CB 0.054 40.812 40.800 -0.070 0.000 1.035 1006 D HN 0.033 nan 8.370 nan 0.000 0.502 1007 G N 1.223 110.010 108.800 -0.022 0.000 2.432 1007 G HA2 0.109 4.071 3.960 0.004 0.000 0.239 1007 G HA3 0.109 4.071 3.960 0.004 0.000 0.239 1007 G C 0.043 174.951 174.900 0.013 0.000 1.291 1007 G CA -0.158 44.936 45.100 -0.010 0.000 0.863 1007 G HN -0.020 nan 8.290 nan 0.000 0.560 1008 E N 0.787 120.981 120.200 -0.010 0.000 2.319 1008 E HA 0.072 4.424 4.350 0.004 0.000 0.268 1008 E C -0.196 176.388 176.600 -0.026 0.000 1.050 1008 E CA -0.704 55.686 56.400 -0.017 0.000 0.878 1008 E CB 0.706 30.390 29.700 -0.027 0.000 1.066 1008 E HN 0.374 nan 8.360 nan 0.000 0.406 1009 N N 1.232 119.906 118.700 -0.043 0.000 2.423 1009 N HA 0.111 4.853 4.740 0.004 0.000 0.275 1009 N C 0.423 175.894 175.510 -0.066 0.000 1.283 1009 N CA 0.739 53.742 53.050 -0.078 0.000 0.932 1009 N CB 0.709 39.151 38.487 -0.076 0.000 1.185 1009 N HN 0.805 nan 8.380 nan 0.000 0.483 1010 G N 1.317 110.078 108.800 -0.065 0.000 2.164 1010 G HA2 -0.190 3.773 3.960 0.004 0.000 0.154 1010 G HA3 -0.190 3.773 3.960 0.004 0.000 0.154 1010 G C -0.495 174.422 174.900 0.028 0.000 1.014 1010 G CA -0.590 44.495 45.100 -0.025 0.000 0.683 1010 G HN 0.476 nan 8.290 nan 0.000 0.500 1011 D N 0.207 120.622 120.400 0.026 0.000 2.253 1011 D HA 0.686 5.328 4.640 0.004 0.000 0.249 1011 D C 0.270 176.676 176.300 0.178 0.000 1.049 1011 D CA 0.025 54.041 54.000 0.026 0.000 0.929 1011 D CB 0.953 41.757 40.800 0.006 0.000 1.176 1011 D HN 0.387 nan 8.370 nan 0.000 0.437 1012 F N -0.800 119.235 119.950 0.141 0.000 2.565 1012 F HA 0.670 5.199 4.527 0.004 0.000 0.313 1012 F C -1.358 174.615 175.800 0.288 0.000 1.091 1012 F CA -1.427 56.699 58.000 0.211 0.000 0.915 1012 F CB 1.207 40.296 39.000 0.148 0.000 1.208 1012 F HN 0.238 nan 8.300 nan 0.000 0.453 1013 W N 5.286 126.791 121.300 0.342 0.000 2.600 1013 W HA 0.695 5.357 4.660 0.004 0.000 0.325 1013 W C -2.002 174.703 176.519 0.309 0.000 1.034 1013 W CA -1.803 55.656 57.345 0.190 0.000 1.226 1013 W CB 1.748 31.218 29.460 0.018 0.000 1.379 1013 W HN 0.551 nan 8.180 nan 0.000 0.466 1014 V N 6.677 126.518 119.914 -0.123 0.000 2.427 1014 V HA 0.043 4.165 4.120 0.004 0.000 0.268 1014 V C -0.202 175.310 176.094 -0.970 0.000 1.046 1014 V CA 0.020 62.139 62.300 -0.301 0.000 0.970 1014 V CB 0.839 32.644 31.823 -0.030 0.000 1.001 1014 V HN 0.436 nan 8.190 nan 0.000 0.476 1015 D N 4.131 123.980 120.400 -0.918 0.000 2.485 1015 D HA 0.234 4.877 4.640 0.004 0.000 0.221 1015 D C 0.956 177.027 176.300 -0.382 0.000 1.112 1015 D CA -0.159 53.199 54.000 -1.071 0.000 0.911 1015 D CB 1.318 41.596 40.800 -0.871 0.000 1.019 1015 D HN 0.559 nan 8.370 nan 0.000 0.516 1016 Q N 1.591 121.245 119.800 -0.245 0.000 2.297 1016 Q HA -0.096 4.247 4.340 0.004 0.000 0.204 1016 Q C 1.470 177.443 176.000 -0.047 0.000 0.962 1016 Q CA 0.676 56.422 55.803 -0.095 0.000 0.879 1016 Q CB 0.388 29.101 28.738 -0.041 0.000 0.947 1016 Q HN 0.600 nan 8.270 nan 0.000 0.462 1017 E N 0.177 120.356 120.200 -0.036 0.000 2.077 1017 E HA -0.169 4.184 4.350 0.004 0.000 0.193 1017 E C 1.468 178.077 176.600 0.016 0.000 0.989 1017 E CA 1.658 58.062 56.400 0.008 0.000 0.800 1017 E CB 0.221 29.947 29.700 0.043 0.000 0.746 1017 E HN 0.362 nan 8.360 nan 0.000 0.452 1018 T N -2.666 111.899 114.554 0.019 0.000 3.044 1018 T HA 0.081 4.433 4.350 0.004 0.000 0.260 1018 T C 0.116 174.837 174.700 0.035 0.000 1.019 1018 T CA 0.466 62.602 62.100 0.061 0.000 0.921 1018 T CB 0.195 69.146 68.868 0.138 0.000 1.053 1018 T HN 0.153 nan 8.240 nan 0.000 0.533 1019 D N 0.549 120.944 120.400 -0.009 0.000 2.699 1019 D HA -0.146 4.496 4.640 0.004 0.000 0.239 1019 D C -0.817 175.453 176.300 -0.051 0.000 1.136 1019 D CA 0.533 54.517 54.000 -0.027 0.000 0.668 1019 D CB -1.418 39.382 40.800 -0.001 0.000 1.060 1019 D HN 0.496 nan 8.370 nan 0.000 0.429 1020 S N -0.240 115.421 115.700 -0.065 0.000 2.536 1020 S HA 0.716 5.188 4.470 0.004 0.000 0.298 1020 S C -0.874 173.676 174.600 -0.082 0.000 1.083 1020 S CA -0.838 57.299 58.200 -0.105 0.000 0.995 1020 S CB 1.951 65.088 63.200 -0.105 0.000 1.058 1020 S HN 0.328 nan 8.310 nan 0.000 0.488 1021 L N 2.952 124.110 121.223 -0.108 0.000 2.298 1021 L HA 0.643 4.986 4.340 0.004 0.000 0.284 1021 L C -1.973 174.935 176.870 0.063 0.000 1.013 1021 L CA -0.225 54.621 54.840 0.010 0.000 0.824 1021 L CB 0.334 42.376 42.059 -0.029 0.000 1.221 1021 L HN 0.676 nan 8.230 nan 0.000 0.418 1022 W N 6.271 127.647 121.300 0.127 0.000 2.429 1022 W HA 0.590 5.252 4.660 0.004 0.000 0.314 1022 W C -1.118 175.611 176.519 0.350 0.000 1.062 1022 W CA -0.472 57.040 57.345 0.277 0.000 1.211 1022 W CB 1.286 30.977 29.460 0.385 0.000 1.305 1022 W HN 0.210 nan 8.180 nan 0.000 0.476 1023 L N 3.828 125.348 121.223 0.496 0.000 2.298 1023 L HA 0.360 4.702 4.340 0.004 0.000 0.284 1023 L C 0.123 177.143 176.870 0.251 0.000 1.013 1023 L CA -1.106 53.941 54.840 0.345 0.000 0.824 1023 L CB 1.251 43.422 42.059 0.187 0.000 1.221 1023 L HN 0.275 nan 8.230 nan 0.000 0.418 1024 K N 4.068 124.554 120.400 0.142 0.000 2.227 1024 K HA 0.745 5.067 4.320 0.004 0.000 0.280 1024 K C -1.320 175.075 176.600 -0.343 0.000 1.041 1024 K CA -0.307 55.828 56.287 -0.254 0.000 0.905 1024 K CB 0.607 33.060 32.500 -0.078 0.000 1.068 1024 K HN 0.544 nan 8.250 nan 0.000 0.470 1025 L N 6.178 127.025 121.223 -0.627 0.000 2.422 1025 L HA 0.516 4.858 4.340 0.004 0.000 0.264 1025 L C -2.263 174.301 176.870 -0.510 0.000 0.984 1025 L CA -2.508 51.965 54.840 -0.612 0.000 0.819 1025 L CB 2.276 43.766 42.059 -0.950 0.000 1.330 1025 L HN 0.655 nan 8.230 nan 0.000 0.410 1026 P HA 0.034 nan 4.420 nan 0.000 0.269 1026 P C -0.102 177.244 177.300 0.076 0.000 1.209 1026 P CA -0.193 62.861 63.100 -0.076 0.000 0.776 1026 P CB 0.540 32.211 31.700 -0.049 0.000 0.876 1027 N N 2.182 120.989 118.700 0.179 0.000 2.289 1027 N HA -0.129 4.614 4.740 0.004 0.000 0.184 1027 N C 1.218 176.851 175.510 0.205 0.000 1.016 1027 N CA 1.832 55.078 53.050 0.328 0.000 0.872 1027 N CB -1.583 37.082 38.487 0.297 0.000 0.973 1027 N HN 0.289 nan 8.380 nan 0.000 0.433 1028 V N -0.711 119.262 119.914 0.098 0.000 3.078 1028 V HA -0.020 4.102 4.120 0.004 0.000 0.265 1028 V C 2.145 178.226 176.094 -0.022 0.000 1.122 1028 V CA 1.235 63.549 62.300 0.022 0.000 1.141 1028 V CB -1.046 30.778 31.823 0.003 0.000 0.735 1028 V HN 0.296 nan 8.190 nan 0.000 0.498 1029 V N -3.183 116.750 119.914 0.032 0.000 3.650 1029 V HA 0.236 4.358 4.120 0.004 0.000 0.271 1029 V C 2.076 178.132 176.094 -0.063 0.000 1.281 1029 V CA 0.823 63.121 62.300 -0.003 0.000 1.120 1029 V CB 0.191 32.018 31.823 0.006 0.000 0.856 1029 V HN 0.401 nan 8.190 nan 0.000 0.443 1030 L N 1.767 122.918 121.223 -0.120 0.000 2.079 1030 L HA 0.078 4.420 4.340 0.004 0.000 0.210 1030 L C -0.137 176.473 176.870 -0.434 0.000 1.081 1030 L CA 2.496 57.005 54.840 -0.551 0.000 0.752 1030 L CB -1.520 40.193 42.059 -0.577 0.000 0.896 1030 L HN 0.307 nan 8.230 nan 0.000 0.433 1031 P HA -0.031 nan 4.420 nan 0.000 0.218 1031 P C -0.760 176.423 177.300 -0.194 0.000 1.152 1031 P CA 1.240 64.055 63.100 -0.475 0.000 0.826 1031 P CB -0.073 31.207 31.700 -0.700 0.000 0.790 1032 D N -1.251 119.063 120.400 -0.143 0.000 2.517 1032 D HA 0.426 5.068 4.640 0.004 0.000 0.263 1032 D C -1.033 175.260 176.300 -0.012 0.000 1.233 1032 D CA -0.945 53.024 54.000 -0.050 0.000 0.849 1032 D CB 0.093 40.860 40.800 -0.055 0.000 1.261 1032 D HN -0.065 nan 8.370 nan 0.000 0.516 1033 A N 1.168 124.018 122.820 0.050 0.000 2.273 1033 A HA 0.622 4.944 4.320 0.004 0.000 0.315 1033 A C -0.515 177.147 177.584 0.131 0.000 1.256 1033 A CA -0.727 51.352 52.037 0.070 0.000 0.851 1033 A CB 1.295 20.318 19.000 0.038 0.000 1.172 1033 A HN 0.310 nan 8.150 nan 0.000 0.508 1034 V N 4.728 124.691 119.914 0.081 0.000 2.328 1034 V HA 0.345 4.467 4.120 0.004 0.000 0.278 1034 V C -0.264 175.884 176.094 0.089 0.000 1.021 1034 V CA -0.081 62.271 62.300 0.087 0.000 0.838 1034 V CB 0.657 32.520 31.823 0.066 0.000 0.999 1034 V HN 0.717 nan 8.190 nan 0.000 0.447 1035 I N 4.671 125.300 120.570 0.099 0.000 2.339 1035 I HA 0.463 4.635 4.170 0.004 0.000 0.290 1035 I C 0.286 176.444 176.117 0.069 0.000 0.994 1035 I CA -0.300 61.049 61.300 0.082 0.000 1.191 1035 I CB 1.950 40.009 38.000 0.099 0.000 1.343 1035 I HN 0.644 nan 8.210 nan 0.000 0.458 1036 T N 3.883 118.483 114.554 0.077 0.000 2.842 1036 T HA 0.594 4.946 4.350 0.004 0.000 0.308 1036 T C -0.412 174.302 174.700 0.024 0.000 1.041 1036 T CA -0.599 61.529 62.100 0.047 0.000 0.964 1036 T CB 0.494 69.390 68.868 0.046 0.000 0.972 1036 T HN 0.232 nan 8.240 nan 0.000 0.460 1037 I N 3.680 124.246 120.570 -0.008 0.000 2.363 1037 I HA 0.299 4.471 4.170 0.004 0.000 0.292 1037 I C 1.101 177.194 176.117 -0.040 0.000 1.075 1037 I CA 0.313 61.586 61.300 -0.045 0.000 1.333 1037 I CB 0.932 38.892 38.000 -0.066 0.000 1.415 1037 I HN 0.700 nan 8.210 nan 0.000 0.502 1038 T N 0.000 114.529 114.554 -0.042 0.000 3.816 1038 T HA 0.000 4.352 4.350 0.004 0.000 0.228 1038 T CA 0.000 62.081 62.100 -0.033 0.000 1.349 1038 T CB 0.000 68.857 68.868 -0.019 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658