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_A DATA FIRST_RESID 14 DATA SEQUENCE TDNPDGIDYK TYDYVGVWGF SPLSNTNWFA AGSSTPGGIT DWTATMNVNF DATA SEQUENCE DRIDNPSITV QHPVQVQVTS YNNNSYRVRF NPDGPIRDVT RGPILKQQLD DATA SEQUENCE WIRTQELSEG CDPGMTFTSE GFLTFETKDL SVIIYGNFKT RVTRKSDGKV DATA SEQUENCE IMENDEVGTA SSGNKCRGLM FVDRLYGNAI ASVNKNFRND AVKQEGFYGA DATA SEQUENCE GEVNCKYQDT YILERTGIAM TNYNYDNLNY NQWDLRPPHH DGALNPDYYI DATA SEQUENCE PMYYAAPWLI VNGCAGTSEQ YSYGWFMDNV SQSYMNTGDT TWNSGQEDLA DATA SEQUENCE YMGAQYGPFD QHFVYGAGGG MEXVVTAFSL LQGKEFENQV LNKRSVMPPK DATA SEQUENCE YVFGFFQGVF GTSSLLRAHM PAGENNISVE EIVEGYQNNN FPFEGLAVDV DATA SEQUENCE DMQDNLRVFT TKGEFWTANR VGTGGDPNNR SVFEWAHDKG LVCQTNITCF DATA SEQUENCE LRNDNEGQDY EVNQTLRERQ LYTKNDSLTG TDFGMTDDGP SDAYIGHLDY DATA SEQUENCE GGGVECDALF PDWGRPDVAE WWGNNYKKLF SIGLDFVWQD MTVPAMMPHK DATA SEQUENCE IGDDINVKPD GNWPNADDPS NGQYNWKTYH PQVLVTDMRY ENHGREPMVT DATA SEQUENCE QRNIHAYTLC ESTRKEGIVE NADTLTKFRR SYIISRGGYI GNQHFGGMWV DATA SEQUENCE GDNSTTSNYI QMMIANNINM NMSCLPLVGS DIGGFTSYDN ENQRTPCTGD DATA SEQUENCE LMVRYVQAGC LLPWFRNHYD RWIESKDHGK DYQELYMYPN EMDTLRKFVE DATA SEQUENCE FRYRWQEVLY TAMYQNAAFG KPIIKAASMY NNDSNVRRAQ NDHFLLGGHD DATA SEQUENCE GYRILCAPVV WENSTERELY LPVLTQWYKF GPDFDTKPLE GAMNGGDRIY DATA SEQUENCE NYPVPQSESP IFVREGAILP TRYTLNGENK SLNTYTDEDP LVFEVFPLGN DATA SEQUENCE NRADGMCYLD DGGVTTNAED NGKFSVVKVA AEQDGGTETI TFTNDCYEYV DATA SEQUENCE FGGPFYVRVR GAQSPSNIHV SSGAGSQDMK VSSATSRAAL FNDGENGDFW DATA SEQUENCE VDQETDSLWL KLPNVVLPDA VITIT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 T HA 0.000 nan 4.350 nan 0.000 0.228 14 T C 0.000 174.673 174.700 -0.046 0.000 1.109 14 T CA 0.000 62.076 62.100 -0.039 0.000 1.349 14 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 15 D N 3.061 123.446 120.400 -0.025 0.000 2.443 15 D HA 0.238 4.877 4.640 -0.002 0.000 0.239 15 D C 0.864 177.166 176.300 0.003 0.000 1.136 15 D CA 0.952 54.945 54.000 -0.012 0.000 0.879 15 D CB 0.330 41.134 40.800 0.005 0.000 1.195 15 D HN 0.559 nan 8.370 nan 0.000 0.443 16 N N 1.651 120.364 118.700 0.021 0.000 2.708 16 N HA -0.138 4.601 4.740 -0.002 0.000 0.255 16 N C -1.678 173.832 175.510 0.000 0.000 1.046 16 N CA 0.132 53.225 53.050 0.073 0.000 0.715 16 N CB -0.323 38.261 38.487 0.162 0.000 0.895 16 N HN 0.239 nan 8.380 nan 0.000 0.545 17 P HA -0.143 nan 4.420 nan 0.000 0.216 17 P C 0.417 177.671 177.300 -0.075 0.000 1.153 17 P CA 1.270 64.288 63.100 -0.137 0.000 0.858 17 P CB 0.094 31.587 31.700 -0.344 0.000 0.789 18 D N -0.997 119.378 120.400 -0.042 0.000 2.336 18 D HA 0.082 4.721 4.640 -0.002 0.000 0.229 18 D C 1.495 177.771 176.300 -0.039 0.000 1.061 18 D CA 0.965 54.949 54.000 -0.027 0.000 0.875 18 D CB -0.396 40.401 40.800 -0.004 0.000 0.904 18 D HN 0.246 nan 8.370 nan 0.000 0.525 19 G N 1.489 110.269 108.800 -0.033 0.000 2.175 19 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.265 19 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.265 19 G C 0.602 175.451 174.900 -0.084 0.000 0.979 19 G CA -0.131 44.945 45.100 -0.040 0.000 0.663 19 G HN 0.355 nan 8.290 nan 0.000 0.533 20 I N 0.718 121.199 120.570 -0.149 0.000 2.845 20 I HA 0.075 4.244 4.170 -0.002 0.000 0.296 20 I C 0.453 176.341 176.117 -0.382 0.000 1.216 20 I CA 0.433 61.536 61.300 -0.328 0.000 1.438 20 I CB 0.286 37.933 38.000 -0.588 0.000 1.342 20 I HN 0.153 nan 8.210 nan 0.000 0.577 21 D N 6.028 126.241 120.400 -0.311 0.000 2.373 21 D HA 0.270 4.909 4.640 -0.002 0.000 0.227 21 D C -0.944 175.213 176.300 -0.238 0.000 1.091 21 D CA -0.337 53.549 54.000 -0.189 0.000 0.840 21 D CB 0.361 41.114 40.800 -0.078 0.000 1.060 21 D HN 0.169 nan 8.370 nan 0.000 0.502 22 Y N 3.648 123.987 120.300 0.065 0.000 2.486 22 Y HA 0.202 4.751 4.550 -0.002 0.000 0.348 22 Y C 1.571 177.420 175.900 -0.084 0.000 1.000 22 Y CA -0.383 57.726 58.100 0.015 0.000 1.253 22 Y CB 1.097 39.467 38.460 -0.149 0.000 1.140 22 Y HN 0.241 nan 8.280 nan 0.000 0.526 23 K N 1.158 121.592 120.400 0.056 0.000 2.242 23 K HA 0.134 4.453 4.320 -0.002 0.000 0.200 23 K C 0.095 176.701 176.600 0.009 0.000 1.050 23 K CA 0.554 56.853 56.287 0.019 0.000 0.981 23 K CB 0.268 32.759 32.500 -0.014 0.000 0.795 23 K HN 0.505 nan 8.250 nan 0.000 0.477 24 T N 0.141 114.687 114.554 -0.013 0.000 2.841 24 T HA 0.427 4.776 4.350 -0.002 0.000 0.283 24 T C 0.019 174.689 174.700 -0.050 0.000 1.000 24 T CA -0.574 61.545 62.100 0.033 0.000 0.977 24 T CB 1.228 70.131 68.868 0.059 0.000 0.979 24 T HN -0.025 nan 8.240 nan 0.000 0.446 25 Y N -0.473 119.987 120.300 0.267 0.000 2.638 25 Y HA 0.246 4.795 4.550 -0.002 0.000 0.275 25 Y C 1.135 177.196 175.900 0.268 0.000 1.122 25 Y CA -0.468 57.788 58.100 0.259 0.000 1.266 25 Y CB 0.372 38.984 38.460 0.253 0.000 1.317 25 Y HN 0.509 nan 8.280 nan 0.000 0.501 26 D N -0.028 120.624 120.400 0.420 0.000 2.360 26 D HA -0.071 4.568 4.640 -0.002 0.000 0.242 26 D C -0.571 175.677 176.300 -0.087 0.000 1.184 26 D CA -0.079 54.141 54.000 0.365 0.000 0.930 26 D CB 0.374 41.467 40.800 0.488 0.000 1.161 26 D HN 0.021 nan 8.370 nan 0.000 0.447 27 Y N 0.964 120.714 120.300 -0.918 0.000 2.569 27 Y HA 0.173 4.722 4.550 -0.002 0.000 0.332 27 Y C -0.556 174.889 175.900 -0.758 0.000 1.120 27 Y CA -0.094 57.211 58.100 -1.325 0.000 1.416 27 Y CB 0.198 37.263 38.460 -2.325 0.000 1.210 27 Y HN -0.079 nan 8.280 nan 0.000 0.528 28 V N 8.421 127.740 119.914 -0.992 0.000 2.294 28 V HA 0.374 4.493 4.120 -0.002 0.000 0.272 28 V C 0.908 176.280 176.094 -1.204 0.000 1.027 28 V CA -0.402 61.423 62.300 -0.792 0.000 0.823 28 V CB 0.439 32.078 31.823 -0.305 0.000 1.030 28 V HN 1.075 nan 8.190 nan 0.000 0.457 29 G N 2.673 110.418 108.800 -1.759 0.000 2.716 29 G HA2 0.252 4.211 3.960 -0.002 0.000 0.251 29 G HA3 0.252 4.211 3.960 -0.002 0.000 0.251 29 G C 1.394 175.334 174.900 -1.600 0.000 1.224 29 G CA 0.198 43.943 45.100 -2.259 0.000 0.891 29 G HN 0.916 nan 8.290 nan 0.000 0.561 30 V N -2.468 116.719 119.914 -1.212 0.000 2.469 30 V HA -0.190 3.929 4.120 -0.002 0.000 0.251 30 V C 2.214 178.062 176.094 -0.410 0.000 1.064 30 V CA 2.208 64.228 62.300 -0.467 0.000 1.066 30 V CB -1.408 30.385 31.823 -0.050 0.000 0.667 30 V HN 0.922 nan 8.190 nan 0.000 0.461 31 W N 1.955 122.989 121.300 -0.443 0.000 2.525 31 W HA 0.381 5.040 4.660 -0.002 0.000 0.259 31 W C 1.913 178.300 176.519 -0.221 0.000 1.253 31 W CA 0.530 57.578 57.345 -0.495 0.000 1.262 31 W CB -1.171 27.590 29.460 -1.165 0.000 1.122 31 W HN 0.254 nan 8.180 nan 0.000 0.607 32 G N -0.951 107.646 108.800 -0.337 0.000 3.453 32 G HA2 0.183 4.142 3.960 -0.002 0.000 0.263 32 G HA3 0.183 4.142 3.960 -0.002 0.000 0.263 32 G C -0.948 173.875 174.900 -0.128 0.000 1.060 32 G CA -0.427 44.586 45.100 -0.145 0.000 0.793 32 G HN 0.130 nan 8.290 nan 0.000 0.532 33 F N 3.205 122.939 119.950 -0.359 0.000 2.382 33 F HA 0.523 5.049 4.527 -0.002 0.000 0.361 33 F C 0.041 175.721 175.800 -0.199 0.000 1.109 33 F CA -1.492 56.264 58.000 -0.406 0.000 1.031 33 F CB 1.779 40.184 39.000 -0.991 0.000 1.234 33 F HN -0.014 nan 8.300 nan 0.000 0.445 34 S N 6.240 121.605 115.700 -0.558 0.000 2.317 34 S HA 0.281 4.750 4.470 -0.002 0.000 0.144 34 S C -2.346 171.852 174.600 -0.669 0.000 1.660 34 S CA -0.938 57.000 58.200 -0.436 0.000 1.273 34 S CB 0.830 63.926 63.200 -0.173 0.000 1.330 34 S HN 0.453 nan 8.310 nan 0.000 0.395 35 P HA -0.021 nan 4.420 nan 0.000 0.219 35 P C 1.274 177.872 177.300 -1.170 0.000 1.150 35 P CA 0.538 62.571 63.100 -1.778 0.000 0.814 35 P CB 0.013 30.553 31.700 -1.932 0.000 0.787 36 L N -0.666 120.097 121.223 -0.767 0.000 2.549 36 L HA -0.055 4.284 4.340 -0.002 0.000 0.229 36 L C 2.439 179.117 176.870 -0.321 0.000 1.158 36 L CA 0.669 55.244 54.840 -0.441 0.000 0.842 36 L CB -0.831 41.079 42.059 -0.249 0.000 0.952 36 L HN -0.016 nan 8.230 nan 0.000 0.452 37 S N 0.193 115.688 115.700 -0.342 0.000 2.383 37 S HA -0.129 4.340 4.470 -0.002 0.000 0.227 37 S C 1.047 175.547 174.600 -0.167 0.000 1.026 37 S CA 1.464 59.544 58.200 -0.198 0.000 0.981 37 S CB -0.096 63.023 63.200 -0.136 0.000 0.818 37 S HN 0.654 nan 8.310 nan 0.000 0.472 38 N N -1.185 117.373 118.700 -0.237 0.000 2.938 38 N HA -0.142 4.597 4.740 -0.002 0.000 0.195 38 N C -0.181 175.361 175.510 0.054 0.000 0.990 38 N CA 0.898 53.870 53.050 -0.129 0.000 1.020 38 N CB -1.542 36.873 38.487 -0.119 0.000 0.986 38 N HN 0.511 nan 8.380 nan 0.000 0.575 39 T N -0.699 113.897 114.554 0.070 0.000 2.799 39 T HA 0.364 4.713 4.350 -0.002 0.000 0.296 39 T C 0.744 175.438 174.700 -0.009 0.000 0.947 39 T CA 0.270 62.369 62.100 -0.001 0.000 1.141 39 T CB 1.097 69.934 68.868 -0.051 0.000 0.891 39 T HN 0.291 nan 8.240 nan 0.000 0.533 40 N N 0.049 118.659 118.700 -0.150 0.000 2.936 40 N HA -0.140 4.599 4.740 -0.002 0.000 0.236 40 N C -0.933 174.412 175.510 -0.275 0.000 0.930 40 N CA 1.273 54.171 53.050 -0.253 0.000 0.966 40 N CB -1.845 36.417 38.487 -0.374 0.000 1.090 40 N HN 0.851 nan 8.380 nan 0.000 0.592 41 W N 0.663 121.811 121.300 -0.254 0.000 2.315 41 W HA 0.524 5.183 4.660 -0.002 0.000 0.316 41 W C 0.535 176.852 176.519 -0.337 0.000 1.211 41 W CA -0.349 56.854 57.345 -0.237 0.000 1.201 41 W CB 0.224 29.578 29.460 -0.177 0.000 1.184 41 W HN -0.117 nan 8.180 nan 0.000 0.544 42 F N 2.476 122.321 119.950 -0.174 0.000 2.384 42 F HA 0.553 5.079 4.527 -0.002 0.000 0.338 42 F C 0.704 176.519 175.800 0.026 0.000 1.103 42 F CA -0.405 57.449 58.000 -0.242 0.000 1.157 42 F CB 0.782 39.240 39.000 -0.903 0.000 1.167 42 F HN 0.339 nan 8.300 nan 0.000 0.529 43 A N 2.060 125.084 122.820 0.340 0.000 2.475 43 A HA 0.780 5.099 4.320 -0.002 0.000 0.301 43 A C -0.888 176.851 177.584 0.259 0.000 1.059 43 A CA -0.814 51.425 52.037 0.336 0.000 0.710 43 A CB 0.872 19.979 19.000 0.179 0.000 1.288 43 A HN 0.990 nan 8.150 nan 0.000 0.408 44 A N 0.492 123.352 122.820 0.067 0.000 2.563 44 A HA 0.415 4.734 4.320 -0.002 0.000 0.256 44 A C 1.221 178.749 177.584 -0.092 0.000 1.056 44 A CA 0.794 52.646 52.037 -0.310 0.000 0.775 44 A CB -0.464 18.329 19.000 -0.344 0.000 0.973 44 A HN 1.860 nan 8.150 nan 0.000 0.516 45 G N 1.200 109.940 108.800 -0.099 0.000 2.724 45 G HA2 0.398 4.357 3.960 -0.002 0.000 0.205 45 G HA3 0.398 4.357 3.960 -0.002 0.000 0.205 45 G C 0.498 175.389 174.900 -0.015 0.000 1.112 45 G CA 0.933 46.022 45.100 -0.019 0.000 0.793 45 G HN 1.589 nan 8.290 nan 0.000 0.526 46 S N -0.889 114.781 115.700 -0.049 0.000 2.615 46 S HA 0.743 5.212 4.470 -0.002 0.000 0.269 46 S C -0.778 173.803 174.600 -0.031 0.000 1.161 46 S CA 0.219 58.413 58.200 -0.011 0.000 0.817 46 S CB 1.927 65.127 63.200 -0.001 0.000 1.131 46 S HN 1.028 nan 8.310 nan 0.000 0.467 47 S N -0.214 115.497 115.700 0.018 0.000 2.656 47 S HA 0.925 5.394 4.470 -0.002 0.000 0.273 47 S C -0.844 173.755 174.600 -0.001 0.000 1.168 47 S CA -0.313 57.894 58.200 0.011 0.000 0.817 47 S CB 1.174 64.416 63.200 0.069 0.000 1.146 47 S HN 1.869 nan 8.310 nan 0.000 0.475 48 T N -1.674 112.859 114.554 -0.034 0.000 2.903 48 T HA 0.779 5.129 4.350 -0.002 0.000 0.299 48 T C -3.419 171.182 174.700 -0.165 0.000 1.093 48 T CA -1.988 60.054 62.100 -0.097 0.000 1.002 48 T CB 1.144 69.954 68.868 -0.098 0.000 1.127 48 T HN 0.430 nan 8.240 nan 0.000 0.488 49 P HA 0.396 nan 4.420 nan 0.000 0.271 49 P C 0.552 177.607 177.300 -0.409 0.000 1.218 49 P CA -0.136 62.511 63.100 -0.755 0.000 0.780 49 P CB 0.443 31.220 31.700 -1.539 0.000 0.901 50 G N 0.981 109.641 108.800 -0.233 0.000 3.969 50 G HA2 0.508 4.467 3.960 -0.002 0.000 0.291 50 G HA3 0.508 4.467 3.960 -0.002 0.000 0.291 50 G C 0.291 175.226 174.900 0.060 0.000 1.016 50 G CA 0.123 45.202 45.100 -0.035 0.000 0.819 50 G HN 0.893 nan 8.290 nan 0.000 0.493 51 G N -0.031 108.823 108.800 0.091 0.000 2.746 51 G HA2 -0.061 3.898 3.960 -0.002 0.000 0.685 51 G HA3 -0.061 3.898 3.960 -0.002 0.000 0.685 51 G C -0.764 174.324 174.900 0.314 0.000 1.350 51 G CA -0.499 44.721 45.100 0.201 0.000 0.837 51 G HN 0.693 nan 8.290 nan 0.000 0.564 52 I N 1.025 121.737 120.570 0.236 0.000 2.499 52 I HA 0.618 4.787 4.170 -0.002 0.000 0.288 52 I C 0.370 176.562 176.117 0.126 0.000 1.048 52 I CA -0.334 61.068 61.300 0.171 0.000 1.062 52 I CB 2.541 40.614 38.000 0.122 0.000 1.238 52 I HN 0.949 nan 8.210 nan 0.000 0.426 53 T N 1.144 115.767 114.554 0.115 0.000 2.876 53 T HA 0.476 4.825 4.350 -0.002 0.000 0.289 53 T C -0.092 174.669 174.700 0.102 0.000 1.014 53 T CA -0.430 61.726 62.100 0.094 0.000 0.986 53 T CB 1.841 70.755 68.868 0.076 0.000 1.021 53 T HN 0.694 nan 8.240 nan 0.000 0.458 54 D N 1.419 121.869 120.400 0.083 0.000 3.574 54 D HA -0.216 4.423 4.640 -0.002 0.000 0.153 54 D C 0.078 176.533 176.300 0.259 0.000 0.965 54 D CA 1.796 55.840 54.000 0.073 0.000 1.047 54 D CB -0.763 40.032 40.800 -0.008 0.000 0.492 54 D HN 0.745 nan 8.370 nan 0.000 0.492 55 W N 1.284 122.579 121.300 -0.008 0.000 3.330 55 W HA 0.298 4.957 4.660 -0.002 0.000 0.348 55 W C 0.254 176.741 176.519 -0.054 0.000 1.205 55 W CA 0.090 57.412 57.345 -0.038 0.000 1.841 55 W CB -0.499 28.945 29.460 -0.026 0.000 1.084 55 W HN -0.054 nan 8.180 nan 0.000 0.665 56 T N 1.184 115.848 114.554 0.184 0.000 2.770 56 T HA 0.637 4.986 4.350 -0.002 0.000 0.297 56 T C 0.330 175.091 174.700 0.101 0.000 0.997 56 T CA -0.307 61.868 62.100 0.125 0.000 0.949 56 T CB 1.415 70.362 68.868 0.132 0.000 0.941 56 T HN -0.040 nan 8.240 nan 0.000 0.457 57 A N 3.390 126.244 122.820 0.057 0.000 2.286 57 A HA 0.708 5.027 4.320 -0.002 0.000 0.286 57 A C 0.438 178.142 177.584 0.201 0.000 1.097 57 A CA -0.522 51.573 52.037 0.096 0.000 0.821 57 A CB 0.438 19.399 19.000 -0.065 0.000 1.076 57 A HN 0.664 nan 8.150 nan 0.000 0.490 58 T N 2.225 116.953 114.554 0.291 0.000 2.824 58 T HA 0.566 4.915 4.350 -0.002 0.000 0.282 58 T C -0.408 174.500 174.700 0.346 0.000 0.993 58 T CA -0.087 62.175 62.100 0.271 0.000 0.967 58 T CB 0.859 69.840 68.868 0.189 0.000 0.960 58 T HN 0.566 nan 8.240 nan 0.000 0.441 59 M N 3.246 123.034 119.600 0.313 0.000 2.227 59 M HA 0.387 4.866 4.480 -0.002 0.000 0.335 59 M C -0.037 176.351 176.300 0.146 0.000 1.053 59 M CA -0.791 54.668 55.300 0.265 0.000 0.973 59 M CB 1.203 34.028 32.600 0.375 0.000 1.623 59 M HN 0.340 nan 8.290 nan 0.000 0.434 60 N N 3.059 121.800 118.700 0.067 0.000 2.555 60 N HA 0.188 4.927 4.740 -0.002 0.000 0.244 60 N C -1.069 174.436 175.510 -0.009 0.000 1.114 60 N CA 0.033 53.101 53.050 0.031 0.000 0.963 60 N CB 0.744 39.233 38.487 0.003 0.000 1.276 60 N HN 0.359 nan 8.380 nan 0.000 0.510 61 V N 2.865 122.750 119.914 -0.047 0.000 2.498 61 V HA 0.136 4.255 4.120 -0.002 0.000 0.279 61 V C 0.424 176.354 176.094 -0.272 0.000 1.048 61 V CA -0.687 61.476 62.300 -0.228 0.000 0.967 61 V CB 0.960 32.492 31.823 -0.484 0.000 0.988 61 V HN 0.451 nan 8.190 nan 0.000 0.473 62 N N 4.633 123.183 118.700 -0.250 0.000 2.414 62 N HA 0.383 5.122 4.740 -0.002 0.000 0.256 62 N C -0.825 174.563 175.510 -0.203 0.000 1.029 62 N CA -0.039 52.930 53.050 -0.135 0.000 0.948 62 N CB 1.038 39.495 38.487 -0.050 0.000 1.102 62 N HN 0.419 nan 8.380 nan 0.000 0.496 63 F N 0.940 120.906 119.950 0.027 0.000 2.404 63 F HA 0.297 4.823 4.527 -0.002 0.000 0.339 63 F C 0.641 176.624 175.800 0.304 0.000 1.105 63 F CA -0.389 57.684 58.000 0.121 0.000 1.087 63 F CB 1.227 40.280 39.000 0.088 0.000 1.143 63 F HN 0.188 nan 8.300 nan 0.000 0.491 64 D N 2.257 122.952 120.400 0.493 0.000 2.646 64 D HA 0.221 4.860 4.640 -0.002 0.000 0.245 64 D C -0.353 176.017 176.300 0.118 0.000 1.099 64 D CA -0.718 53.476 54.000 0.323 0.000 0.849 64 D CB 1.765 42.648 40.800 0.138 0.000 1.448 64 D HN 0.237 nan 8.370 nan 0.000 0.489 65 R N 2.023 122.387 120.500 -0.226 0.000 2.404 65 R HA 0.134 4.473 4.340 -0.002 0.000 0.315 65 R C 1.326 177.522 176.300 -0.174 0.000 1.032 65 R CA -0.023 55.801 56.100 -0.460 0.000 0.992 65 R CB 0.497 30.464 30.300 -0.555 0.000 0.959 65 R HN 0.545 nan 8.270 nan 0.000 0.428 66 I N 1.810 122.313 120.570 -0.112 0.000 2.264 66 I HA -0.322 3.847 4.170 -0.002 0.000 0.248 66 I C 1.716 177.794 176.117 -0.065 0.000 1.111 66 I CA 1.634 62.902 61.300 -0.055 0.000 1.382 66 I CB -0.200 37.779 38.000 -0.036 0.000 1.060 66 I HN 0.566 nan 8.210 nan 0.000 0.418 67 D N -0.671 119.677 120.400 -0.087 0.000 2.325 67 D HA -0.038 4.601 4.640 -0.002 0.000 0.225 67 D C 0.162 176.416 176.300 -0.077 0.000 1.096 67 D CA 0.187 54.140 54.000 -0.078 0.000 0.844 67 D CB -0.194 40.556 40.800 -0.083 0.000 0.925 67 D HN 0.214 nan 8.370 nan 0.000 0.513 68 N N 0.088 118.739 118.700 -0.082 0.000 3.560 68 N HA 0.090 4.829 4.740 -0.002 0.000 0.183 68 N C -2.641 172.836 175.510 -0.055 0.000 1.495 68 N CA -0.740 52.273 53.050 -0.061 0.000 0.793 68 N CB 1.147 39.599 38.487 -0.060 0.000 1.681 68 N HN -0.233 nan 8.380 nan 0.000 0.667 69 P HA -0.004 nan 4.420 nan 0.000 0.234 69 P C 0.997 178.310 177.300 0.021 0.000 1.167 69 P CA 0.743 63.841 63.100 -0.003 0.000 0.763 69 P CB 0.121 31.823 31.700 0.003 0.000 0.835 70 S N -1.301 114.407 115.700 0.013 0.000 2.555 70 S HA 0.017 4.486 4.470 -0.002 0.000 0.230 70 S C 0.762 175.390 174.600 0.048 0.000 0.978 70 S CA 0.199 58.415 58.200 0.026 0.000 0.934 70 S CB -0.964 62.245 63.200 0.015 0.000 0.766 70 S HN 0.093 nan 8.310 nan 0.000 0.533 71 I N 1.894 122.495 120.570 0.052 0.000 2.312 71 I HA 0.433 4.602 4.170 -0.002 0.000 0.290 71 I C 0.032 176.292 176.117 0.237 0.000 1.008 71 I CA -0.212 61.152 61.300 0.106 0.000 1.226 71 I CB 1.676 39.703 38.000 0.046 0.000 1.371 71 I HN 0.040 nan 8.210 nan 0.000 0.468 72 T N 6.210 120.928 114.554 0.273 0.000 2.933 72 T HA 0.735 5.084 4.350 -0.002 0.000 0.305 72 T C -0.946 173.866 174.700 0.185 0.000 1.092 72 T CA -0.514 61.770 62.100 0.306 0.000 1.008 72 T CB 1.508 70.474 68.868 0.162 0.000 1.102 72 T HN 0.431 nan 8.240 nan 0.000 0.469 73 V N 2.131 122.097 119.914 0.087 0.000 3.078 73 V HA 0.766 4.885 4.120 -0.002 0.000 0.311 73 V C -0.955 175.092 176.094 -0.079 0.000 1.138 73 V CA -1.080 61.162 62.300 -0.096 0.000 1.007 73 V CB 1.858 33.511 31.823 -0.285 0.000 1.045 73 V HN 0.997 nan 8.190 nan 0.000 0.432 74 Q N 1.500 121.165 119.800 -0.225 0.000 2.322 74 Q HA 0.569 4.908 4.340 -0.002 0.000 0.265 74 Q C -1.523 174.250 176.000 -0.378 0.000 0.985 74 Q CA -0.565 55.145 55.803 -0.155 0.000 0.849 74 Q CB 1.151 29.830 28.738 -0.098 0.000 1.274 74 Q HN 0.979 nan 8.270 nan 0.000 0.449 75 H N 3.384 122.538 119.070 0.140 0.000 2.894 75 H HA 0.405 4.960 4.556 -0.002 0.000 0.367 75 H C -2.590 172.797 175.328 0.098 0.000 1.144 75 H CA -1.860 54.234 56.048 0.077 0.000 1.180 75 H CB 1.986 31.715 29.762 -0.054 0.000 1.758 75 H HN 0.559 nan 8.280 nan 0.000 0.541 76 P HA 0.180 nan 4.420 nan 0.000 0.284 76 P C -0.510 176.898 177.300 0.179 0.000 1.253 76 P CA -0.529 62.664 63.100 0.156 0.000 0.800 76 P CB 1.599 33.380 31.700 0.135 0.000 0.961 77 V N 4.075 124.086 119.914 0.161 0.000 2.409 77 V HA 0.254 4.373 4.120 -0.002 0.000 0.291 77 V C 0.386 176.637 176.094 0.263 0.000 1.020 77 V CA -0.546 61.868 62.300 0.191 0.000 0.848 77 V CB 1.304 33.130 31.823 0.005 0.000 0.990 77 V HN 0.494 nan 8.190 nan 0.000 0.430 78 Q N 2.756 122.717 119.800 0.268 0.000 2.286 78 Q HA 0.524 4.864 4.340 -0.002 0.000 0.257 78 Q C -0.906 175.272 176.000 0.297 0.000 0.941 78 Q CA -0.246 55.707 55.803 0.250 0.000 0.912 78 Q CB 1.899 30.760 28.738 0.205 0.000 1.192 78 Q HN 0.636 nan 8.270 nan 0.000 0.410 79 V N 3.950 124.018 119.914 0.257 0.000 2.304 79 V HA 0.239 4.358 4.120 -0.002 0.000 0.278 79 V C -0.545 175.596 176.094 0.079 0.000 1.018 79 V CA -0.639 61.804 62.300 0.237 0.000 0.814 79 V CB 1.222 33.163 31.823 0.196 0.000 1.021 79 V HN 0.697 nan 8.190 nan 0.000 0.440 80 Q N 4.093 123.972 119.800 0.131 0.000 2.333 80 Q HA 0.596 4.935 4.340 -0.002 0.000 0.268 80 Q C -1.187 174.873 176.000 0.099 0.000 1.007 80 Q CA -0.571 55.291 55.803 0.098 0.000 0.810 80 Q CB 2.220 31.060 28.738 0.168 0.000 1.264 80 Q HN 0.541 nan 8.270 nan 0.000 0.452 81 V N 4.006 123.898 119.914 -0.038 0.000 2.572 81 V HA 0.060 4.179 4.120 -0.002 0.000 0.291 81 V C 1.243 177.550 176.094 0.355 0.000 1.039 81 V CA 0.837 63.154 62.300 0.028 0.000 1.055 81 V CB 0.931 32.548 31.823 -0.344 0.000 0.969 81 V HN 1.070 nan 8.190 nan 0.000 0.482 82 T N -0.356 114.429 114.554 0.386 0.000 3.000 82 T HA 0.179 4.528 4.350 -0.002 0.000 0.248 82 T C 0.674 175.645 174.700 0.453 0.000 1.034 82 T CA 0.426 62.781 62.100 0.425 0.000 1.060 82 T CB 0.490 69.607 68.868 0.416 0.000 0.983 82 T HN 0.588 nan 8.240 nan 0.000 0.482 83 S N -0.276 115.678 115.700 0.424 0.000 2.689 83 S HA 0.404 4.873 4.470 -0.002 0.000 0.274 83 S C -0.293 174.511 174.600 0.340 0.000 1.176 83 S CA -0.844 57.607 58.200 0.418 0.000 1.014 83 S CB 1.045 64.452 63.200 0.344 0.000 1.071 83 S HN 0.300 nan 8.310 nan 0.000 0.478 84 Y N 5.338 125.767 120.300 0.216 0.000 2.145 84 Y HA -0.051 4.498 4.550 -0.002 0.000 0.286 84 Y C 1.831 177.806 175.900 0.125 0.000 1.145 84 Y CA 2.112 60.262 58.100 0.083 0.000 1.148 84 Y CB 0.017 38.494 38.460 0.030 0.000 0.981 84 Y HN 0.697 nan 8.280 nan 0.000 0.507 85 N N 0.092 118.971 118.700 0.298 0.000 2.457 85 N HA -0.105 4.634 4.740 -0.002 0.000 0.180 85 N C 0.358 175.945 175.510 0.127 0.000 1.050 85 N CA 1.001 54.164 53.050 0.189 0.000 0.906 85 N CB -0.180 38.450 38.487 0.239 0.000 0.968 85 N HN 0.544 nan 8.380 nan 0.000 0.445 86 N N 1.015 119.818 118.700 0.172 0.000 2.177 86 N HA 0.052 4.791 4.740 -0.002 0.000 0.218 86 N C -0.780 174.866 175.510 0.226 0.000 1.182 86 N CA -0.084 53.080 53.050 0.190 0.000 0.882 86 N CB 0.449 39.068 38.487 0.221 0.000 1.052 86 N HN 0.035 nan 8.380 nan 0.000 0.519 87 N N 1.602 120.413 118.700 0.186 0.000 2.648 87 N HA -0.135 4.604 4.740 -0.002 0.000 0.265 87 N C -0.948 174.836 175.510 0.456 0.000 1.100 87 N CA 0.845 54.030 53.050 0.224 0.000 0.715 87 N CB -1.358 37.225 38.487 0.160 0.000 0.881 87 N HN 0.414 nan 8.380 nan 0.000 0.548 88 S N -0.394 115.566 115.700 0.433 0.000 2.546 88 S HA 0.807 5.276 4.470 -0.002 0.000 0.272 88 S C -0.727 174.174 174.600 0.502 0.000 1.140 88 S CA -0.870 57.620 58.200 0.482 0.000 0.920 88 S CB 2.699 66.143 63.200 0.406 0.000 1.083 88 S HN 0.480 nan 8.310 nan 0.000 0.476 89 Y N 0.236 120.781 120.300 0.409 0.000 2.818 89 Y HA 0.833 5.382 4.550 -0.002 0.000 0.322 89 Y C -0.892 175.202 175.900 0.325 0.000 1.323 89 Y CA -1.308 56.970 58.100 0.296 0.000 1.090 89 Y CB 1.224 39.829 38.460 0.242 0.000 1.328 89 Y HN 0.991 nan 8.280 nan 0.000 0.482 90 R N 1.735 122.442 120.500 0.344 0.000 2.515 90 R HA 0.636 4.975 4.340 -0.002 0.000 0.278 90 R C -2.496 174.006 176.300 0.337 0.000 1.107 90 R CA -0.603 55.560 56.100 0.107 0.000 0.945 90 R CB 2.126 32.331 30.300 -0.159 0.000 1.219 90 R HN 0.730 nan 8.270 nan 0.000 0.434 91 V N 4.358 124.521 119.914 0.416 0.000 2.532 91 V HA 0.678 4.797 4.120 -0.002 0.000 0.295 91 V C 0.002 176.381 176.094 0.474 0.000 1.041 91 V CA -0.676 61.959 62.300 0.559 0.000 0.926 91 V CB 1.565 33.868 31.823 0.799 0.000 0.992 91 V HN 0.751 nan 8.190 nan 0.000 0.457 92 R N 4.090 124.855 120.500 0.441 0.000 2.572 92 R HA 0.466 4.805 4.340 -0.002 0.000 0.273 92 R C -2.199 174.319 176.300 0.364 0.000 1.168 92 R CA -0.361 55.965 56.100 0.376 0.000 1.021 92 R CB 1.879 32.318 30.300 0.232 0.000 1.249 92 R HN 0.732 nan 8.270 nan 0.000 0.423 93 F N 1.493 121.521 119.950 0.131 0.000 2.662 93 F HA 0.603 5.129 4.527 -0.002 0.000 0.312 93 F C -1.647 174.118 175.800 -0.058 0.000 1.113 93 F CA -1.157 56.840 58.000 -0.006 0.000 0.951 93 F CB 1.592 40.537 39.000 -0.092 0.000 1.344 93 F HN 0.348 nan 8.300 nan 0.000 0.462 94 N N 1.700 120.351 118.700 -0.082 0.000 2.483 94 N HA 0.517 5.256 4.740 -0.002 0.000 0.267 94 N C -2.471 172.780 175.510 -0.431 0.000 0.998 94 N CA -2.698 50.184 53.050 -0.279 0.000 0.918 94 N CB 2.152 40.542 38.487 -0.161 0.000 1.215 94 N HN 0.313 nan 8.380 nan 0.000 0.500 95 P HA 0.113 nan 4.420 nan 0.000 0.233 95 P C -0.158 176.657 177.300 -0.808 0.000 1.167 95 P CA 0.878 63.283 63.100 -1.157 0.000 0.770 95 P CB 0.532 31.475 31.700 -1.260 0.000 0.837 96 D N -1.595 118.541 120.400 -0.439 0.000 2.441 96 D HA 0.246 4.885 4.640 -0.002 0.000 0.210 96 D C 1.191 177.406 176.300 -0.142 0.000 1.102 96 D CA 0.490 54.348 54.000 -0.236 0.000 0.840 96 D CB 1.421 42.118 40.800 -0.171 0.000 0.990 96 D HN 0.150 nan 8.370 nan 0.000 0.505 97 G N 1.378 110.091 108.800 -0.144 0.000 2.364 97 G HA2 0.228 4.187 3.960 -0.002 0.000 0.286 97 G HA3 0.228 4.187 3.960 -0.002 0.000 0.286 97 G C -2.935 171.929 174.900 -0.060 0.000 1.241 97 G CA -0.688 44.368 45.100 -0.073 0.000 0.887 97 G HN -0.237 nan 8.290 nan 0.000 0.484 98 P HA 0.428 nan 4.420 nan 0.000 0.274 98 P C -0.229 177.043 177.300 -0.048 0.000 1.231 98 P CA -0.223 62.862 63.100 -0.024 0.000 0.790 98 P CB 1.230 32.919 31.700 -0.019 0.000 0.951 99 I N 2.408 122.973 120.570 -0.008 0.000 2.598 99 I HA 0.082 4.251 4.170 -0.002 0.000 0.284 99 I C 1.393 177.498 176.117 -0.020 0.000 1.140 99 I CA 0.554 61.856 61.300 0.002 0.000 1.420 99 I CB 0.027 38.063 38.000 0.061 0.000 1.387 99 I HN 0.223 nan 8.210 nan 0.000 0.553 100 R N 4.970 125.442 120.500 -0.046 0.000 2.686 100 R HA 0.311 4.651 4.340 -0.002 0.000 0.286 100 R C -1.172 175.197 176.300 0.115 0.000 0.969 100 R CA -0.824 55.233 56.100 -0.072 0.000 0.898 100 R CB 1.456 31.499 30.300 -0.427 0.000 1.183 100 R HN 0.542 nan 8.270 nan 0.000 0.456 101 D N 3.139 123.620 120.400 0.136 0.000 2.308 101 D HA 0.066 4.705 4.640 -0.002 0.000 0.251 101 D C 0.415 176.875 176.300 0.266 0.000 1.127 101 D CA -0.020 54.080 54.000 0.168 0.000 0.876 101 D CB 1.573 42.433 40.800 0.099 0.000 1.176 101 D HN 0.277 nan 8.370 nan 0.000 0.446 102 V N 1.160 121.162 119.914 0.147 0.000 2.963 102 V HA 0.147 4.266 4.120 -0.002 0.000 0.306 102 V C 1.177 177.242 176.094 -0.048 0.000 1.077 102 V CA 0.088 62.310 62.300 -0.130 0.000 1.124 102 V CB 0.922 32.588 31.823 -0.262 0.000 0.987 102 V HN 0.708 nan 8.190 nan 0.000 0.487 103 T N 0.279 114.775 114.554 -0.096 0.000 3.044 103 T HA 0.319 4.668 4.350 -0.002 0.000 0.260 103 T C 0.471 175.162 174.700 -0.015 0.000 1.019 103 T CA 0.152 62.245 62.100 -0.011 0.000 0.921 103 T CB -0.207 68.684 68.868 0.039 0.000 1.053 103 T HN 0.957 nan 8.240 nan 0.000 0.533 104 R N -0.114 120.342 120.500 -0.074 0.000 2.515 104 R HA 0.574 4.913 4.340 -0.002 0.000 0.278 104 R C -1.022 175.218 176.300 -0.100 0.000 1.107 104 R CA -0.159 55.931 56.100 -0.017 0.000 0.945 104 R CB 1.271 31.564 30.300 -0.012 0.000 1.219 104 R HN 0.383 nan 8.270 nan 0.000 0.434 105 G N 3.597 112.383 108.800 -0.023 0.000 2.352 105 G HA2 0.076 4.035 3.960 -0.002 0.000 0.302 105 G HA3 0.076 4.035 3.960 -0.002 0.000 0.302 105 G C -2.640 172.274 174.900 0.023 0.000 1.370 105 G CA -0.769 44.231 45.100 -0.166 0.000 0.918 105 G HN 0.345 nan 8.290 nan 0.000 0.610 106 P HA 0.009 nan 4.420 nan 0.000 0.215 106 P C 0.836 178.091 177.300 -0.075 0.000 1.157 106 P CA 1.098 64.155 63.100 -0.072 0.000 0.874 106 P CB 0.113 31.646 31.700 -0.278 0.000 0.790 107 I N 0.894 121.468 120.570 0.007 0.000 2.306 107 I HA 0.234 4.403 4.170 -0.002 0.000 0.288 107 I C 0.575 176.717 176.117 0.043 0.000 1.036 107 I CA -0.867 60.451 61.300 0.029 0.000 1.221 107 I CB 0.326 38.394 38.000 0.113 0.000 1.385 107 I HN -0.112 nan 8.210 nan 0.000 0.472 108 L N 5.573 126.792 121.223 -0.007 0.000 2.334 108 L HA 0.399 4.739 4.340 -0.002 0.000 0.275 108 L C 1.587 178.404 176.870 -0.089 0.000 1.036 108 L CA -0.646 54.159 54.840 -0.058 0.000 0.807 108 L CB 2.140 44.129 42.059 -0.118 0.000 1.231 108 L HN 0.571 nan 8.230 nan 0.000 0.438 109 K N 1.315 121.668 120.400 -0.079 0.000 2.057 109 K HA -0.200 4.119 4.320 -0.002 0.000 0.207 109 K C 1.579 178.080 176.600 -0.164 0.000 1.049 109 K CA 1.762 58.013 56.287 -0.062 0.000 0.931 109 K CB 0.223 32.709 32.500 -0.023 0.000 0.714 109 K HN 0.601 nan 8.250 nan 0.000 0.440 110 Q N 0.312 119.897 119.800 -0.358 0.000 2.181 110 Q HA -0.213 4.126 4.340 -0.002 0.000 0.205 110 Q C 1.958 177.577 176.000 -0.636 0.000 0.980 110 Q CA 1.721 57.183 55.803 -0.568 0.000 0.862 110 Q CB -0.134 28.047 28.738 -0.929 0.000 0.905 110 Q HN 0.337 nan 8.270 nan 0.000 0.429 111 Q N 0.200 119.607 119.800 -0.654 0.000 2.187 111 Q HA 0.016 4.355 4.340 -0.002 0.000 0.199 111 Q C 1.652 177.709 176.000 0.095 0.000 0.957 111 Q CA 0.994 56.710 55.803 -0.144 0.000 0.857 111 Q CB -0.004 28.739 28.738 0.009 0.000 0.929 111 Q HN 0.423 nan 8.270 nan 0.000 0.453 112 L N 0.312 121.556 121.223 0.035 0.000 2.056 112 L HA -0.165 4.174 4.340 -0.002 0.000 0.207 112 L C 1.707 178.626 176.870 0.082 0.000 1.078 112 L CA 1.271 56.179 54.840 0.113 0.000 0.749 112 L CB -0.508 41.627 42.059 0.126 0.000 0.901 112 L HN 0.257 nan 8.230 nan 0.000 0.433 113 D N -0.691 119.725 120.400 0.027 0.000 2.097 113 D HA -0.235 4.404 4.640 -0.002 0.000 0.195 113 D C 1.702 178.023 176.300 0.035 0.000 0.989 113 D CA 1.133 55.130 54.000 -0.005 0.000 0.827 113 D CB -0.279 40.510 40.800 -0.019 0.000 0.966 113 D HN 0.366 nan 8.370 nan 0.000 0.456 114 W N 1.468 122.749 121.300 -0.031 0.000 2.335 114 W HA -0.165 4.494 4.660 -0.002 0.000 0.311 114 W C 2.171 178.705 176.519 0.025 0.000 1.213 114 W CA 1.364 58.728 57.345 0.031 0.000 1.274 114 W CB -0.420 29.118 29.460 0.131 0.000 1.148 114 W HN -0.110 nan 8.180 nan 0.000 0.498 115 I N 0.139 120.883 120.570 0.290 0.000 2.142 115 I HA -0.329 3.840 4.170 -0.002 0.000 0.240 115 I C 2.733 178.804 176.117 -0.077 0.000 1.078 115 I CA 1.913 63.311 61.300 0.163 0.000 1.343 115 I CB -0.767 37.420 38.000 0.311 0.000 1.046 115 I HN -0.041 nan 8.210 nan 0.000 0.405 116 R N 0.464 120.888 120.500 -0.126 0.000 2.091 116 R HA -0.175 4.164 4.340 -0.002 0.000 0.238 116 R C 2.244 178.254 176.300 -0.483 0.000 1.136 116 R CA 2.164 57.999 56.100 -0.442 0.000 0.959 116 R CB -0.333 29.609 30.300 -0.597 0.000 0.856 116 R HN 0.278 nan 8.270 nan 0.000 0.437 117 T N 1.012 115.341 114.554 -0.374 0.000 2.788 117 T HA -0.127 4.222 4.350 -0.002 0.000 0.268 117 T C 1.721 176.212 174.700 -0.348 0.000 1.044 117 T CA 1.013 62.908 62.100 -0.341 0.000 1.139 117 T CB -0.081 68.618 68.868 -0.282 0.000 0.867 117 T HN 0.282 nan 8.240 nan 0.000 0.454 118 Q N 1.012 120.536 119.800 -0.460 0.000 1.990 118 Q HA -0.047 4.292 4.340 -0.002 0.000 0.200 118 Q C 2.388 178.260 176.000 -0.213 0.000 0.980 118 Q CA 1.348 56.893 55.803 -0.431 0.000 0.832 118 Q CB -0.334 27.975 28.738 -0.714 0.000 0.897 118 Q HN 0.631 nan 8.270 nan 0.000 0.427 119 E N 0.450 120.571 120.200 -0.132 0.000 2.160 119 E HA -0.147 4.202 4.350 -0.002 0.000 0.195 119 E C 2.155 178.762 176.600 0.011 0.000 0.991 119 E CA 0.571 56.988 56.400 0.029 0.000 0.810 119 E CB -0.062 29.780 29.700 0.236 0.000 0.742 119 E HN 0.241 nan 8.360 nan 0.000 0.466 120 L N 0.684 121.845 121.223 -0.103 0.000 2.141 120 L HA -0.151 4.188 4.340 -0.002 0.000 0.209 120 L C 2.574 179.399 176.870 -0.076 0.000 1.094 120 L CA 1.215 56.000 54.840 -0.092 0.000 0.763 120 L CB -0.320 41.610 42.059 -0.215 0.000 0.908 120 L HN 0.190 nan 8.230 nan 0.000 0.437 121 S N -1.183 114.456 115.700 -0.102 0.000 2.481 121 S HA -0.113 4.356 4.470 -0.002 0.000 0.231 121 S C 1.326 175.897 174.600 -0.049 0.000 0.996 121 S CA 0.552 58.705 58.200 -0.079 0.000 0.942 121 S CB -0.209 62.931 63.200 -0.100 0.000 0.768 121 S HN 0.499 nan 8.310 nan 0.000 0.520 122 E N 0.829 121.005 120.200 -0.039 0.000 2.465 122 E HA 0.316 4.665 4.350 -0.002 0.000 0.195 122 E C 0.908 177.495 176.600 -0.023 0.000 1.028 122 E CA -0.009 56.381 56.400 -0.017 0.000 0.899 122 E CB 0.004 29.706 29.700 0.003 0.000 1.032 122 E HN 0.629 nan 8.360 nan 0.000 0.468 123 G N 1.585 110.367 108.800 -0.030 0.000 2.258 123 G HA2 -0.348 3.611 3.960 -0.002 0.000 0.274 123 G HA3 -0.348 3.611 3.960 -0.002 0.000 0.274 123 G C 0.349 175.193 174.900 -0.094 0.000 1.021 123 G CA 0.062 45.138 45.100 -0.039 0.000 0.798 123 G HN 0.379 nan 8.290 nan 0.000 0.507 124 C N 0.449 119.680 119.300 -0.114 0.000 2.648 124 C HA 0.461 4.920 4.460 -0.002 0.000 0.415 124 C C 0.599 175.420 174.990 -0.282 0.000 1.366 124 C CA -0.062 58.725 59.018 -0.385 0.000 1.756 124 C CB 0.542 28.118 27.740 -0.273 0.000 2.549 124 C HN 0.547 nan 8.230 nan 0.000 0.597 125 D N 3.833 123.925 120.400 -0.513 0.000 2.473 125 D HA 0.328 4.967 4.640 -0.002 0.000 0.253 125 D C -1.353 174.789 176.300 -0.263 0.000 1.233 125 D CA -1.534 52.323 54.000 -0.240 0.000 0.908 125 D CB 1.409 42.146 40.800 -0.106 0.000 1.170 125 D HN 0.246 nan 8.370 nan 0.000 0.558 126 P HA 0.111 nan 4.420 nan 0.000 0.226 126 P C 0.830 178.079 177.300 -0.085 0.000 1.153 126 P CA 0.514 63.520 63.100 -0.156 0.000 0.777 126 P CB 0.169 31.529 31.700 -0.567 0.000 0.794 127 G N 0.851 109.586 108.800 -0.108 0.000 2.356 127 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.296 127 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.296 127 G C 0.127 174.992 174.900 -0.059 0.000 1.022 127 G CA 0.040 45.106 45.100 -0.057 0.000 0.961 127 G HN 0.284 nan 8.290 nan 0.000 0.510 128 M N 0.464 120.005 119.600 -0.099 0.000 2.269 128 M HA 0.386 4.865 4.480 -0.002 0.000 0.350 128 M C 0.673 176.896 176.300 -0.127 0.000 1.429 128 M CA 0.875 56.107 55.300 -0.115 0.000 1.063 128 M CB 0.816 33.291 32.600 -0.209 0.000 1.841 128 M HN 0.255 nan 8.290 nan 0.000 0.455 129 T N 3.070 117.521 114.554 -0.171 0.000 2.894 129 T HA 0.653 5.002 4.350 -0.002 0.000 0.309 129 T C -1.383 173.178 174.700 -0.233 0.000 1.208 129 T CA -0.612 61.411 62.100 -0.128 0.000 1.016 129 T CB 0.893 69.737 68.868 -0.041 0.000 1.192 129 T HN 0.354 nan 8.240 nan 0.000 0.491 130 F N 2.222 122.174 119.950 0.003 0.000 2.399 130 F HA 0.559 5.085 4.527 -0.002 0.000 0.328 130 F C 1.540 177.324 175.800 -0.027 0.000 1.084 130 F CA -0.385 57.611 58.000 -0.008 0.000 1.053 130 F CB 1.726 40.717 39.000 -0.014 0.000 1.209 130 F HN 0.677 nan 8.300 nan 0.000 0.502 131 T N -2.440 112.211 114.554 0.162 0.000 2.852 131 T HA 0.173 4.522 4.350 -0.002 0.000 0.281 131 T C 1.341 176.027 174.700 -0.023 0.000 0.993 131 T CA -0.021 62.107 62.100 0.047 0.000 0.933 131 T CB 1.088 69.981 68.868 0.042 0.000 1.187 131 T HN 0.549 nan 8.240 nan 0.000 0.559 132 S N 0.036 115.696 115.700 -0.067 0.000 2.368 132 S HA -0.160 4.309 4.470 -0.002 0.000 0.225 132 S C 1.665 176.149 174.600 -0.194 0.000 1.030 132 S CA 1.716 59.857 58.200 -0.099 0.000 0.999 132 S CB -0.935 62.218 63.200 -0.079 0.000 0.844 132 S HN 0.754 nan 8.310 nan 0.000 0.459 133 E N 0.313 120.303 120.200 -0.350 0.000 2.409 133 E HA 0.228 4.577 4.350 -0.002 0.000 0.198 133 E C 1.479 177.683 176.600 -0.659 0.000 1.024 133 E CA 0.646 56.676 56.400 -0.617 0.000 0.861 133 E CB -0.462 28.551 29.700 -1.146 0.000 0.788 133 E HN 0.669 nan 8.360 nan 0.000 0.521 134 G N -0.283 108.269 108.800 -0.414 0.000 2.176 134 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.232 134 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.232 134 G C -0.243 174.718 174.900 0.102 0.000 0.986 134 G CA -0.366 44.624 45.100 -0.183 0.000 0.643 134 G HN 0.137 nan 8.290 nan 0.000 0.522 135 F N 0.640 120.679 119.950 0.148 0.000 2.467 135 F HA 0.611 5.137 4.527 -0.002 0.000 0.362 135 F C 0.716 176.569 175.800 0.089 0.000 1.090 135 F CA -1.750 56.291 58.000 0.069 0.000 1.202 135 F CB 0.907 39.876 39.000 -0.052 0.000 1.113 135 F HN 0.092 nan 8.300 nan 0.000 0.541 136 L N 4.721 126.052 121.223 0.180 0.000 2.360 136 L HA 0.442 4.781 4.340 -0.002 0.000 0.276 136 L C 0.204 176.947 176.870 -0.212 0.000 1.121 136 L CA 0.249 54.978 54.840 -0.184 0.000 0.845 136 L CB 0.234 42.115 42.059 -0.297 0.000 1.143 136 L HN 0.779 nan 8.230 nan 0.000 0.452 137 T N 2.522 116.949 114.554 -0.211 0.000 2.887 137 T HA 0.829 5.178 4.350 -0.002 0.000 0.288 137 T C -0.531 174.086 174.700 -0.138 0.000 1.021 137 T CA -0.596 61.348 62.100 -0.261 0.000 1.000 137 T CB 1.513 70.253 68.868 -0.213 0.000 1.034 137 T HN 0.565 nan 8.240 nan 0.000 0.467 138 F N -1.492 118.272 119.950 -0.309 0.000 2.779 138 F HA 0.848 5.375 4.527 -0.002 0.000 0.316 138 F C -1.411 174.231 175.800 -0.262 0.000 1.164 138 F CA -1.219 56.612 58.000 -0.282 0.000 0.924 138 F CB 1.319 40.126 39.000 -0.321 0.000 1.348 138 F HN 0.620 nan 8.300 nan 0.000 0.467 139 E N 0.554 120.763 120.200 0.015 0.000 2.314 139 E HA 0.498 4.847 4.350 -0.002 0.000 0.272 139 E C -0.999 175.625 176.600 0.040 0.000 0.884 139 E CA -0.899 55.452 56.400 -0.081 0.000 0.753 139 E CB 2.906 32.579 29.700 -0.044 0.000 1.213 139 E HN 0.847 nan 8.360 nan 0.000 0.432 140 T N -1.273 113.195 114.554 -0.143 0.000 2.849 140 T HA 0.268 4.617 4.350 -0.002 0.000 0.272 140 T C 1.153 175.310 174.700 -0.906 0.000 1.046 140 T CA -0.499 61.358 62.100 -0.405 0.000 0.983 140 T CB 0.930 69.671 68.868 -0.212 0.000 1.721 140 T HN 0.454 nan 8.240 nan 0.000 0.594 141 K N 0.203 119.888 120.400 -1.191 0.000 2.002 141 K HA -0.096 4.223 4.320 -0.002 0.000 0.209 141 K C 0.876 177.262 176.600 -0.356 0.000 1.048 141 K CA 1.899 57.653 56.287 -0.889 0.000 0.930 141 K CB -0.209 31.991 32.500 -0.500 0.000 0.714 141 K HN 0.512 nan 8.250 nan 0.000 0.438 142 D N -0.469 119.773 120.400 -0.263 0.000 2.431 142 D HA 0.222 4.861 4.640 -0.002 0.000 0.213 142 D C -0.452 175.731 176.300 -0.195 0.000 1.130 142 D CA 0.126 54.025 54.000 -0.167 0.000 0.834 142 D CB 0.666 41.406 40.800 -0.101 0.000 0.985 142 D HN 0.125 nan 8.370 nan 0.000 0.504 143 L N 0.025 121.097 121.223 -0.252 0.000 2.393 143 L HA 0.496 4.835 4.340 -0.002 0.000 0.260 143 L C -0.316 176.361 176.870 -0.320 0.000 1.002 143 L CA -0.881 53.778 54.840 -0.302 0.000 0.818 143 L CB 2.341 44.162 42.059 -0.397 0.000 1.369 143 L HN -0.221 nan 8.230 nan 0.000 0.412 144 S N 0.528 116.009 115.700 -0.365 0.000 2.536 144 S HA 0.863 5.332 4.470 -0.002 0.000 0.287 144 S C -1.064 173.192 174.600 -0.574 0.000 1.101 144 S CA -0.688 57.256 58.200 -0.427 0.000 0.950 144 S CB 2.117 65.129 63.200 -0.312 0.000 1.056 144 S HN 0.265 nan 8.310 nan 0.000 0.481 145 V N 3.662 123.067 119.914 -0.850 0.000 2.540 145 V HA 0.610 4.729 4.120 -0.002 0.000 0.302 145 V C -0.534 175.037 176.094 -0.872 0.000 1.035 145 V CA -0.700 60.992 62.300 -1.014 0.000 0.873 145 V CB 1.542 32.353 31.823 -1.687 0.000 0.992 145 V HN 0.995 nan 8.190 nan 0.000 0.428 146 I N 5.263 125.421 120.570 -0.687 0.000 2.509 146 I HA 0.635 4.804 4.170 -0.002 0.000 0.293 146 I C -1.199 174.473 176.117 -0.741 0.000 1.020 146 I CA -0.667 60.223 61.300 -0.683 0.000 1.088 146 I CB 1.654 39.240 38.000 -0.690 0.000 1.267 146 I HN 0.573 nan 8.210 nan 0.000 0.430 147 I N 7.801 127.959 120.570 -0.687 0.000 2.439 147 I HA 0.301 4.470 4.170 -0.002 0.000 0.283 147 I C -0.871 174.951 176.117 -0.493 0.000 1.023 147 I CA -0.445 60.487 61.300 -0.613 0.000 1.100 147 I CB 1.115 38.754 38.000 -0.602 0.000 1.238 147 I HN 0.489 nan 8.210 nan 0.000 0.445 148 Y N 3.329 123.459 120.300 -0.283 0.000 2.262 148 Y HA 0.283 4.832 4.550 -0.002 0.000 0.368 148 Y C 1.824 177.769 175.900 0.074 0.000 1.352 148 Y CA 0.391 58.335 58.100 -0.260 0.000 1.760 148 Y CB 0.098 38.264 38.460 -0.490 0.000 1.627 148 Y HN 0.589 nan 8.280 nan 0.000 0.606 149 G N 0.462 109.516 108.800 0.424 0.000 2.459 149 G HA2 -0.314 3.645 3.960 -0.002 0.000 0.217 149 G HA3 -0.314 3.645 3.960 -0.002 0.000 0.217 149 G C 1.048 176.060 174.900 0.188 0.000 1.183 149 G CA 1.169 46.458 45.100 0.315 0.000 0.776 149 G HN 0.699 nan 8.290 nan 0.000 0.552 150 N N -0.802 117.990 118.700 0.153 0.000 2.421 150 N HA 0.043 4.782 4.740 -0.002 0.000 0.201 150 N C 0.694 176.328 175.510 0.207 0.000 1.198 150 N CA -0.240 52.878 53.050 0.113 0.000 0.838 150 N CB -0.496 38.033 38.487 0.069 0.000 1.011 150 N HN 0.347 nan 8.380 nan 0.000 0.463 151 F N -0.761 119.209 119.950 0.034 0.000 2.840 151 F HA -0.287 4.239 4.527 -0.002 0.000 0.310 151 F C 0.288 176.119 175.800 0.051 0.000 0.688 151 F CA 0.370 58.391 58.000 0.035 0.000 1.286 151 F CB -1.353 37.645 39.000 -0.004 0.000 1.612 151 F HN 0.138 nan 8.300 nan 0.000 0.335 152 K N 2.096 122.581 120.400 0.141 0.000 2.491 152 K HA 0.267 4.586 4.320 -0.002 0.000 0.279 152 K C -0.336 176.258 176.600 -0.009 0.000 1.026 152 K CA 1.034 57.389 56.287 0.112 0.000 1.070 152 K CB 0.509 33.090 32.500 0.136 0.000 0.887 152 K HN 0.194 nan 8.250 nan 0.000 0.481 153 T N 5.886 120.414 114.554 -0.044 0.000 2.824 153 T HA 0.424 4.773 4.350 -0.002 0.000 0.282 153 T C -0.828 173.774 174.700 -0.163 0.000 0.993 153 T CA -0.745 61.243 62.100 -0.187 0.000 0.967 153 T CB 1.029 69.788 68.868 -0.182 0.000 0.960 153 T HN 0.559 nan 8.240 nan 0.000 0.441 154 R N 2.456 122.805 120.500 -0.251 0.000 2.500 154 R HA 0.574 4.913 4.340 -0.002 0.000 0.299 154 R C -1.623 174.483 176.300 -0.323 0.000 1.038 154 R CA -0.426 55.541 56.100 -0.221 0.000 0.903 154 R CB 1.183 31.397 30.300 -0.143 0.000 1.177 154 R HN 0.445 nan 8.270 nan 0.000 0.455 155 V N 3.751 123.470 119.914 -0.325 0.000 2.370 155 V HA 0.405 4.524 4.120 -0.002 0.000 0.279 155 V C -0.097 175.772 176.094 -0.374 0.000 1.029 155 V CA -0.247 61.815 62.300 -0.398 0.000 0.870 155 V CB 1.837 33.416 31.823 -0.407 0.000 0.984 155 V HN 0.739 nan 8.190 nan 0.000 0.451 156 T N 5.325 119.656 114.554 -0.372 0.000 2.841 156 T HA 0.463 4.812 4.350 -0.002 0.000 0.283 156 T C -0.206 174.315 174.700 -0.298 0.000 1.000 156 T CA -0.606 61.310 62.100 -0.307 0.000 0.977 156 T CB 1.483 70.196 68.868 -0.258 0.000 0.979 156 T HN 0.657 nan 8.240 nan 0.000 0.446 157 R N 2.047 122.396 120.500 -0.251 0.000 2.221 157 R HA 0.279 4.618 4.340 -0.002 0.000 0.327 157 R C 0.909 177.112 176.300 -0.163 0.000 1.033 157 R CA -0.414 55.564 56.100 -0.203 0.000 0.887 157 R CB 0.370 30.575 30.300 -0.159 0.000 1.057 157 R HN 0.593 nan 8.270 nan 0.000 0.455 158 K N 1.270 121.579 120.400 -0.153 0.000 2.152 158 K HA -0.170 4.149 4.320 -0.002 0.000 0.206 158 K C 1.917 178.461 176.600 -0.093 0.000 1.048 158 K CA 1.946 58.159 56.287 -0.123 0.000 0.933 158 K CB 0.045 32.477 32.500 -0.113 0.000 0.721 158 K HN 0.706 nan 8.250 nan 0.000 0.447 159 S N 1.571 117.223 115.700 -0.081 0.000 2.368 159 S HA -0.134 4.335 4.470 -0.002 0.000 0.224 159 S C 1.464 176.029 174.600 -0.058 0.000 1.029 159 S CA 1.504 59.669 58.200 -0.059 0.000 0.988 159 S CB -0.149 63.023 63.200 -0.046 0.000 0.838 159 S HN 0.402 nan 8.310 nan 0.000 0.462 160 D N -0.740 119.620 120.400 -0.067 0.000 2.469 160 D HA 0.258 4.897 4.640 -0.002 0.000 0.213 160 D C 1.293 177.544 176.300 -0.081 0.000 1.135 160 D CA 0.425 54.386 54.000 -0.064 0.000 0.834 160 D CB -0.503 40.265 40.800 -0.053 0.000 1.009 160 D HN 0.603 nan 8.370 nan 0.000 0.507 161 G N 1.340 110.081 108.800 -0.099 0.000 2.203 161 G HA2 -0.364 3.595 3.960 -0.002 0.000 0.263 161 G HA3 -0.364 3.595 3.960 -0.002 0.000 0.263 161 G C 0.160 174.980 174.900 -0.134 0.000 1.012 161 G CA 0.543 45.574 45.100 -0.114 0.000 0.749 161 G HN 0.609 nan 8.290 nan 0.000 0.512 162 K N 0.576 120.886 120.400 -0.149 0.000 2.258 162 K HA 0.479 4.798 4.320 -0.002 0.000 0.284 162 K C 0.590 177.038 176.600 -0.253 0.000 1.051 162 K CA -0.720 55.455 56.287 -0.187 0.000 0.923 162 K CB 0.872 33.264 32.500 -0.180 0.000 1.046 162 K HN -0.013 nan 8.250 nan 0.000 0.474 163 V N 7.504 127.258 119.914 -0.268 0.000 2.450 163 V HA -0.032 4.087 4.120 -0.002 0.000 0.281 163 V C 1.328 177.156 176.094 -0.443 0.000 1.019 163 V CA 0.300 62.416 62.300 -0.306 0.000 1.062 163 V CB 0.102 31.778 31.823 -0.245 0.000 0.979 163 V HN 0.796 nan 8.190 nan 0.000 0.477 164 I N 2.016 122.318 120.570 -0.447 0.000 3.854 164 I HA 0.382 4.551 4.170 -0.002 0.000 0.312 164 I C 0.499 176.400 176.117 -0.360 0.000 1.273 164 I CA 0.607 61.545 61.300 -0.603 0.000 1.298 164 I CB 0.561 38.284 38.000 -0.461 0.000 1.071 164 I HN 0.540 nan 8.210 nan 0.000 0.428 165 M N 2.944 122.366 119.600 -0.296 0.000 2.325 165 M HA 0.427 4.906 4.480 -0.002 0.000 0.285 165 M C -2.196 174.002 176.300 -0.171 0.000 1.119 165 M CA -0.071 55.090 55.300 -0.232 0.000 0.959 165 M CB 2.289 34.539 32.600 -0.583 0.000 1.737 165 M HN 0.465 nan 8.290 nan 0.000 0.486 166 E N 2.635 122.830 120.200 -0.008 0.000 2.343 166 E HA 0.571 4.920 4.350 -0.002 0.000 0.278 166 E C -1.199 175.435 176.600 0.056 0.000 0.910 166 E CA -0.998 55.403 56.400 0.001 0.000 0.757 166 E CB 1.415 31.147 29.700 0.054 0.000 1.218 166 E HN 0.669 nan 8.360 nan 0.000 0.435 167 N N 0.862 119.579 118.700 0.029 0.000 2.408 167 N HA 0.188 4.927 4.740 -0.002 0.000 0.260 167 N C -0.872 174.705 175.510 0.110 0.000 1.242 167 N CA -0.615 52.491 53.050 0.093 0.000 0.959 167 N CB 0.564 39.134 38.487 0.138 0.000 1.201 167 N HN 0.594 nan 8.380 nan 0.000 0.511 168 D N -1.399 119.080 120.400 0.132 0.000 2.255 168 D HA 0.191 4.830 4.640 -0.002 0.000 0.249 168 D C -1.038 175.311 176.300 0.081 0.000 1.078 168 D CA -0.119 53.937 54.000 0.094 0.000 0.896 168 D CB 0.585 41.440 40.800 0.093 0.000 1.194 168 D HN 0.442 nan 8.370 nan 0.000 0.429 169 E N 1.649 121.877 120.200 0.047 0.000 2.176 169 E HA 0.389 4.738 4.350 -0.002 0.000 0.267 169 E C -1.154 175.451 176.600 0.008 0.000 0.893 169 E CA -1.052 55.367 56.400 0.032 0.000 0.761 169 E CB 2.494 32.205 29.700 0.019 0.000 1.133 169 E HN 0.203 nan 8.360 nan 0.000 0.409 170 V N 2.820 122.735 119.914 0.002 0.000 2.481 170 V HA 0.578 4.697 4.120 -0.002 0.000 0.286 170 V C 0.302 176.388 176.094 -0.014 0.000 1.042 170 V CA -0.194 62.096 62.300 -0.016 0.000 0.928 170 V CB 1.419 33.222 31.823 -0.034 0.000 0.986 170 V HN 0.757 nan 8.190 nan 0.000 0.462 171 G N 4.157 112.945 108.800 -0.020 0.000 2.539 171 G HA2 0.527 4.486 3.960 -0.002 0.000 0.258 171 G HA3 0.527 4.486 3.960 -0.002 0.000 0.258 171 G C 0.022 174.910 174.900 -0.021 0.000 1.202 171 G CA 0.369 45.458 45.100 -0.019 0.000 0.851 171 G HN 1.083 nan 8.290 nan 0.000 0.556 172 T N -2.477 112.066 114.554 -0.018 0.000 2.927 172 T HA 0.615 4.964 4.350 -0.002 0.000 0.286 172 T C 1.565 176.254 174.700 -0.018 0.000 1.040 172 T CA 0.217 62.306 62.100 -0.019 0.000 1.010 172 T CB 1.539 70.398 68.868 -0.016 0.000 1.177 172 T HN 0.856 nan 8.240 nan 0.000 0.546 173 A N 0.983 123.792 122.820 -0.019 0.000 1.883 173 A HA 0.071 4.390 4.320 -0.002 0.000 0.217 173 A C 2.032 179.608 177.584 -0.014 0.000 1.186 173 A CA 2.280 54.307 52.037 -0.017 0.000 0.624 173 A CB -1.039 17.951 19.000 -0.017 0.000 0.822 173 A HN 1.670 nan 8.150 nan 0.000 0.444 174 S N -3.702 111.990 115.700 -0.013 0.000 2.976 174 S HA 0.191 4.660 4.470 -0.002 0.000 0.252 174 S C 0.440 175.036 174.600 -0.008 0.000 0.940 174 S CA 0.487 58.681 58.200 -0.010 0.000 1.283 174 S CB -0.204 62.990 63.200 -0.009 0.000 1.194 174 S HN 0.232 nan 8.310 nan 0.000 0.662 175 S N 1.828 117.524 115.700 -0.007 0.000 2.568 175 S HA 0.665 5.134 4.470 -0.002 0.000 0.232 175 S C 1.015 175.614 174.600 -0.001 0.000 0.975 175 S CA 0.066 58.265 58.200 -0.002 0.000 0.949 175 S CB 0.302 63.502 63.200 -0.000 0.000 0.829 175 S HN 1.447 nan 8.310 nan 0.000 0.479 176 G N 2.119 110.916 108.800 -0.005 0.000 2.728 176 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.294 176 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.294 176 G C -0.934 173.963 174.900 -0.006 0.000 1.342 176 G CA -1.043 44.053 45.100 -0.006 0.000 0.866 176 G HN 0.434 nan 8.290 nan 0.000 0.534 177 N N 0.958 119.654 118.700 -0.007 0.000 2.455 177 N HA 0.506 5.245 4.740 -0.002 0.000 0.280 177 N C -0.213 175.303 175.510 0.011 0.000 1.055 177 N CA -0.536 52.512 53.050 -0.004 0.000 0.961 177 N CB 0.950 39.429 38.487 -0.013 0.000 1.121 177 N HN 0.401 nan 8.380 nan 0.000 0.476 178 K N 1.420 121.830 120.400 0.016 0.000 2.206 178 K HA 0.284 4.603 4.320 -0.002 0.000 0.264 178 K C -0.897 175.733 176.600 0.050 0.000 0.967 178 K CA -0.532 55.775 56.287 0.033 0.000 0.844 178 K CB 1.735 34.255 32.500 0.033 0.000 1.099 178 K HN 0.500 nan 8.250 nan 0.000 0.441 179 C N 4.335 123.679 119.300 0.073 0.000 2.349 179 C HA 0.251 4.710 4.460 -0.002 0.000 0.348 179 C C 1.473 176.546 174.990 0.138 0.000 1.223 179 C CA -0.471 58.614 59.018 0.113 0.000 1.746 179 C CB -0.906 26.933 27.740 0.164 0.000 2.360 179 C HN 0.751 nan 8.230 nan 0.000 0.533 180 R N 3.022 123.595 120.500 0.123 0.000 2.323 180 R HA 0.026 4.365 4.340 -0.002 0.000 0.198 180 R C 2.216 178.654 176.300 0.229 0.000 0.988 180 R CA 0.745 56.922 56.100 0.129 0.000 1.041 180 R CB -0.035 30.284 30.300 0.032 0.000 0.926 180 R HN 0.989 nan 8.270 nan 0.000 0.476 181 G N 1.118 110.077 108.800 0.265 0.000 2.517 181 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.222 181 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.222 181 G C 0.561 175.718 174.900 0.430 0.000 1.109 181 G CA 0.738 46.062 45.100 0.373 0.000 0.746 181 G HN 0.149 nan 8.290 nan 0.000 0.576 182 L N -0.135 121.268 121.223 0.301 0.000 2.406 182 L HA 0.647 4.986 4.340 -0.002 0.000 0.272 182 L C -0.591 176.544 176.870 0.442 0.000 0.980 182 L CA -0.394 54.607 54.840 0.269 0.000 0.831 182 L CB 2.210 44.247 42.059 -0.037 0.000 1.253 182 L HN 0.003 nan 8.230 nan 0.000 0.406 183 M N 4.407 124.365 119.600 0.597 0.000 2.433 183 M HA 0.601 5.080 4.480 -0.002 0.000 0.290 183 M C -1.312 175.488 176.300 0.834 0.000 1.173 183 M CA -0.469 55.206 55.300 0.626 0.000 0.905 183 M CB 2.706 35.590 32.600 0.474 0.000 1.692 183 M HN 0.452 nan 8.290 nan 0.000 0.462 184 F N -0.575 119.690 119.950 0.524 0.000 2.613 184 F HA 0.855 5.381 4.527 -0.002 0.000 0.310 184 F C -1.275 174.543 175.800 0.029 0.000 1.085 184 F CA -1.363 56.798 58.000 0.269 0.000 0.945 184 F CB 0.704 39.778 39.000 0.122 0.000 1.298 184 F HN 0.213 nan 8.300 nan 0.000 0.455 185 V N 2.094 121.765 119.914 -0.406 0.000 2.637 185 V HA 0.048 4.167 4.120 -0.002 0.000 0.296 185 V C 0.179 176.223 176.094 -0.085 0.000 1.046 185 V CA -0.147 61.769 62.300 -0.640 0.000 1.066 185 V CB 0.691 32.019 31.823 -0.826 0.000 0.968 185 V HN 0.827 nan 8.190 nan 0.000 0.483 186 D N 3.614 124.002 120.400 -0.019 0.000 2.586 186 D HA -0.063 4.576 4.640 -0.002 0.000 0.234 186 D C 1.069 177.460 176.300 0.150 0.000 1.132 186 D CA 0.158 54.316 54.000 0.262 0.000 0.860 186 D CB 0.603 41.521 40.800 0.198 0.000 1.159 186 D HN 0.369 nan 8.370 nan 0.000 0.490 187 R N 2.904 123.512 120.500 0.181 0.000 2.339 187 R HA 0.080 4.419 4.340 -0.002 0.000 0.199 187 R C 1.600 177.859 176.300 -0.069 0.000 1.018 187 R CA 0.277 56.400 56.100 0.038 0.000 1.036 187 R CB -0.080 30.243 30.300 0.038 0.000 0.899 187 R HN 0.532 nan 8.270 nan 0.000 0.473 188 L N -1.424 119.701 121.223 -0.164 0.000 2.313 188 L HA -0.066 4.273 4.340 -0.002 0.000 0.214 188 L C 0.892 177.457 176.870 -0.508 0.000 1.119 188 L CA 1.031 55.623 54.840 -0.412 0.000 0.809 188 L CB -0.066 41.577 42.059 -0.692 0.000 0.933 188 L HN 0.232 nan 8.230 nan 0.000 0.449 189 Y N -1.128 119.140 120.300 -0.053 0.000 2.467 189 Y HA 0.445 4.994 4.550 -0.002 0.000 0.259 189 Y C 1.173 177.000 175.900 -0.120 0.000 1.084 189 Y CA -0.017 58.032 58.100 -0.086 0.000 1.275 189 Y CB 0.615 39.004 38.460 -0.117 0.000 1.208 189 Y HN -0.004 nan 8.280 nan 0.000 0.511 190 G N -0.362 108.422 108.800 -0.027 0.000 2.494 190 G HA2 0.267 4.226 3.960 -0.002 0.000 0.308 190 G HA3 0.267 4.226 3.960 -0.002 0.000 0.308 190 G C -0.816 173.975 174.900 -0.182 0.000 1.263 190 G CA -0.594 44.429 45.100 -0.128 0.000 0.840 190 G HN 0.032 nan 8.290 nan 0.000 0.479 191 N N -0.593 117.927 118.700 -0.301 0.000 2.082 191 N HA 0.433 5.172 4.740 -0.002 0.000 0.228 191 N C 0.537 175.853 175.510 -0.324 0.000 1.341 191 N CA 0.174 53.004 53.050 -0.367 0.000 0.873 191 N CB 1.674 39.726 38.487 -0.726 0.000 1.137 191 N HN 0.753 nan 8.380 nan 0.000 0.505 192 A N 1.388 124.040 122.820 -0.281 0.000 2.466 192 A HA 0.473 4.792 4.320 -0.002 0.000 0.238 192 A C 0.332 177.967 177.584 0.085 0.000 1.074 192 A CA -0.170 51.828 52.037 -0.064 0.000 0.774 192 A CB -0.182 18.850 19.000 0.053 0.000 1.015 192 A HN 0.383 nan 8.150 nan 0.000 0.498 193 I N -1.992 118.779 120.570 0.335 0.000 3.023 193 I HA 0.954 5.123 4.170 -0.002 0.000 0.312 193 I C -0.100 176.463 176.117 0.743 0.000 1.056 193 I CA -0.912 60.712 61.300 0.540 0.000 1.033 193 I CB 2.290 40.527 38.000 0.395 0.000 1.233 193 I HN 0.868 nan 8.210 nan 0.000 0.462 194 A N 1.961 125.237 122.820 0.760 0.000 2.601 194 A HA 0.780 5.099 4.320 -0.002 0.000 0.291 194 A C -1.188 176.769 177.584 0.622 0.000 1.075 194 A CA -0.510 51.856 52.037 0.549 0.000 0.671 194 A CB 1.566 20.664 19.000 0.163 0.000 1.277 194 A HN 0.814 nan 8.150 nan 0.000 0.417 195 S N -0.088 115.942 115.700 0.550 0.000 2.614 195 S HA 0.628 5.097 4.470 -0.002 0.000 0.275 195 S C -1.483 173.509 174.600 0.654 0.000 1.161 195 S CA -0.347 58.260 58.200 0.677 0.000 0.969 195 S CB 1.158 64.867 63.200 0.847 0.000 1.059 195 S HN 1.359 nan 8.310 nan 0.000 0.482 196 V N 5.134 125.345 119.914 0.495 0.000 2.495 196 V HA 0.633 4.752 4.120 -0.002 0.000 0.298 196 V C -0.412 175.908 176.094 0.377 0.000 1.031 196 V CA -0.965 61.596 62.300 0.435 0.000 0.871 196 V CB 1.846 33.797 31.823 0.213 0.000 0.988 196 V HN 0.824 nan 8.190 nan 0.000 0.432 197 N N 2.237 121.183 118.700 0.410 0.000 2.362 197 N HA 0.469 5.208 4.740 -0.002 0.000 0.299 197 N C -0.480 175.167 175.510 0.228 0.000 1.170 197 N CA -0.822 52.392 53.050 0.275 0.000 0.825 197 N CB 1.683 40.332 38.487 0.270 0.000 1.299 197 N HN 0.547 nan 8.380 nan 0.000 0.502 198 K N 0.851 121.342 120.400 0.152 0.000 2.355 198 K HA 0.125 4.444 4.320 -0.002 0.000 0.270 198 K C -0.315 176.285 176.600 -0.001 0.000 1.003 198 K CA -0.056 56.202 56.287 -0.049 0.000 0.957 198 K CB 0.375 32.757 32.500 -0.197 0.000 0.939 198 K HN 0.405 nan 8.250 nan 0.000 0.482 199 N N 2.613 121.195 118.700 -0.196 0.000 2.461 199 N HA 0.172 4.911 4.740 -0.002 0.000 0.284 199 N C -1.132 174.327 175.510 -0.084 0.000 1.049 199 N CA -0.515 52.611 53.050 0.126 0.000 0.889 199 N CB 0.492 39.094 38.487 0.190 0.000 1.365 199 N HN 0.379 nan 8.380 nan 0.000 0.499 200 F N 2.651 122.747 119.950 0.243 0.000 2.730 200 F HA 0.248 4.774 4.527 -0.002 0.000 0.295 200 F C 2.064 177.943 175.800 0.132 0.000 1.143 200 F CA -0.522 57.576 58.000 0.164 0.000 1.367 200 F CB 0.259 39.356 39.000 0.162 0.000 0.970 200 F HN 0.492 nan 8.300 nan 0.000 0.514 201 R N 0.203 120.859 120.500 0.260 0.000 2.117 201 R HA -0.193 4.146 4.340 -0.002 0.000 0.243 201 R C 0.978 177.345 176.300 0.112 0.000 1.143 201 R CA 1.985 58.194 56.100 0.181 0.000 0.968 201 R CB -0.500 29.918 30.300 0.197 0.000 0.863 201 R HN 0.220 nan 8.270 nan 0.000 0.444 202 N N 0.889 119.647 118.700 0.097 0.000 2.280 202 N HA -0.034 4.705 4.740 -0.002 0.000 0.192 202 N C -0.486 175.074 175.510 0.083 0.000 1.109 202 N CA 0.094 53.184 53.050 0.066 0.000 0.855 202 N CB 0.049 38.558 38.487 0.037 0.000 0.974 202 N HN 0.315 nan 8.380 nan 0.000 0.482 203 D N 1.047 121.529 120.400 0.137 0.000 2.487 203 D HA 0.014 4.653 4.640 -0.002 0.000 0.243 203 D C 1.049 177.409 176.300 0.100 0.000 1.154 203 D CA -0.058 54.032 54.000 0.149 0.000 0.876 203 D CB 1.278 42.228 40.800 0.250 0.000 1.161 203 D HN 0.139 nan 8.370 nan 0.000 0.478 204 A N 3.573 126.437 122.820 0.073 0.000 1.986 204 A HA -0.159 4.160 4.320 -0.002 0.000 0.220 204 A C 2.038 179.649 177.584 0.045 0.000 1.171 204 A CA 1.533 53.599 52.037 0.048 0.000 0.640 204 A CB -0.020 19.002 19.000 0.038 0.000 0.811 204 A HN 0.530 nan 8.150 nan 0.000 0.451 205 V N -1.433 118.515 119.914 0.057 0.000 2.922 205 V HA -0.016 4.103 4.120 -0.002 0.000 0.242 205 V C 2.146 178.275 176.094 0.057 0.000 1.094 205 V CA 1.522 63.850 62.300 0.047 0.000 1.106 205 V CB -0.303 31.544 31.823 0.040 0.000 0.799 205 V HN 0.442 nan 8.190 nan 0.000 0.474 206 K N -0.125 120.329 120.400 0.090 0.000 2.167 206 K HA 0.019 4.338 4.320 -0.002 0.000 0.203 206 K C 0.504 177.139 176.600 0.059 0.000 1.052 206 K CA 0.248 56.602 56.287 0.111 0.000 0.956 206 K CB -0.049 32.565 32.500 0.189 0.000 0.735 206 K HN 0.365 nan 8.250 nan 0.000 0.451 207 Q N 1.662 121.503 119.800 0.069 0.000 2.417 207 Q HA -0.206 4.133 4.340 -0.002 0.000 0.350 207 Q C -1.107 174.896 176.000 0.006 0.000 1.364 207 Q CA 0.418 56.243 55.803 0.038 0.000 1.024 207 Q CB -1.271 27.473 28.738 0.009 0.000 1.235 207 Q HN 0.331 nan 8.270 nan 0.000 0.388 208 E N -0.433 119.791 120.200 0.040 0.000 2.452 208 E HA 0.179 4.528 4.350 -0.002 0.000 0.261 208 E C 0.550 177.068 176.600 -0.137 0.000 0.987 208 E CA 0.696 57.052 56.400 -0.073 0.000 0.926 208 E CB 0.603 30.309 29.700 0.010 0.000 0.934 208 E HN 0.426 nan 8.360 nan 0.000 0.452 209 G N 2.457 111.096 108.800 -0.268 0.000 2.542 209 G HA2 0.529 4.488 3.960 -0.002 0.000 0.311 209 G HA3 0.529 4.488 3.960 -0.002 0.000 0.311 209 G C -1.332 173.305 174.900 -0.438 0.000 1.298 209 G CA -0.633 44.317 45.100 -0.249 0.000 0.973 209 G HN 0.305 nan 8.290 nan 0.000 0.487 210 F N 1.031 120.801 119.950 -0.299 0.000 2.444 210 F HA 0.586 5.112 4.527 -0.002 0.000 0.342 210 F C -0.344 175.243 175.800 -0.354 0.000 1.121 210 F CA -0.537 57.329 58.000 -0.223 0.000 0.997 210 F CB 1.846 40.746 39.000 -0.167 0.000 1.130 210 F HN 0.336 nan 8.300 nan 0.000 0.454 211 Y N 0.492 120.781 120.300 -0.019 0.000 2.602 211 Y HA 0.777 5.326 4.550 -0.002 0.000 0.342 211 Y C 0.744 176.610 175.900 -0.057 0.000 1.029 211 Y CA -0.373 57.710 58.100 -0.029 0.000 1.080 211 Y CB 2.138 40.569 38.460 -0.048 0.000 1.284 211 Y HN 0.771 nan 8.280 nan 0.000 0.485 212 G N 0.534 109.450 108.800 0.193 0.000 2.893 212 G HA2 0.161 4.120 3.960 -0.002 0.000 0.222 212 G HA3 0.161 4.120 3.960 -0.002 0.000 0.222 212 G C 0.346 175.361 174.900 0.193 0.000 1.345 212 G CA -0.001 45.217 45.100 0.196 0.000 1.129 212 G HN 1.821 nan 8.290 nan 0.000 0.560 213 A N -0.083 122.859 122.820 0.204 0.000 2.771 213 A HA 0.322 4.641 4.320 -0.002 0.000 0.294 213 A C 2.322 180.018 177.584 0.187 0.000 1.500 213 A CA 1.826 53.966 52.037 0.172 0.000 0.829 213 A CB -1.702 17.343 19.000 0.075 0.000 0.998 213 A HN 3.108 nan 8.150 nan 0.000 0.526 214 G N -0.975 107.970 108.800 0.243 0.000 2.646 214 G HA2 -0.400 3.559 3.960 -0.002 0.000 0.324 214 G HA3 -0.400 3.559 3.960 -0.002 0.000 0.324 214 G C 0.584 175.557 174.900 0.122 0.000 1.195 214 G CA 0.956 46.188 45.100 0.220 0.000 0.976 214 G HN 1.132 nan 8.290 nan 0.000 0.546 215 E N 0.200 120.466 120.200 0.110 0.000 2.474 215 E HA 0.347 4.696 4.350 -0.002 0.000 0.195 215 E C 0.722 177.317 176.600 -0.008 0.000 1.039 215 E CA -0.118 56.297 56.400 0.024 0.000 0.881 215 E CB 0.505 30.216 29.700 0.019 0.000 0.970 215 E HN 0.324 nan 8.360 nan 0.000 0.486 216 V N 2.969 122.910 119.914 0.044 0.000 2.673 216 V HA -0.058 4.061 4.120 -0.002 0.000 0.303 216 V C 0.414 176.551 176.094 0.071 0.000 1.046 216 V CA 0.103 62.432 62.300 0.049 0.000 1.126 216 V CB 0.373 32.244 31.823 0.080 0.000 0.934 216 V HN 0.228 nan 8.190 nan 0.000 0.487 217 N N 2.314 121.069 118.700 0.091 0.000 2.417 217 N HA 0.538 5.277 4.740 -0.002 0.000 0.300 217 N C -0.918 174.751 175.510 0.265 0.000 1.102 217 N CA -0.292 52.874 53.050 0.194 0.000 0.886 217 N CB 1.927 40.526 38.487 0.187 0.000 1.203 217 N HN 0.750 nan 8.380 nan 0.000 0.496 218 C N 1.506 120.999 119.300 0.323 0.000 2.551 218 C HA 0.371 4.830 4.460 -0.002 0.000 0.332 218 C C -0.402 174.605 174.990 0.028 0.000 1.139 218 C CA -0.871 58.285 59.018 0.229 0.000 1.328 218 C CB 0.373 28.226 27.740 0.188 0.000 1.903 218 C HN 0.747 nan 8.230 nan 0.000 0.459 219 K N 3.723 124.033 120.400 -0.150 0.000 2.172 219 K HA 0.549 4.868 4.320 -0.002 0.000 0.276 219 K C -1.707 174.876 176.600 -0.029 0.000 1.013 219 K CA -0.344 55.670 56.287 -0.454 0.000 0.913 219 K CB 0.997 33.162 32.500 -0.558 0.000 1.055 219 K HN 0.736 nan 8.250 nan 0.000 0.461 220 Y N 4.061 124.274 120.300 -0.146 0.000 2.373 220 Y HA 0.127 4.676 4.550 -0.002 0.000 0.336 220 Y C 0.331 176.228 175.900 -0.006 0.000 0.979 220 Y CA -0.172 57.907 58.100 -0.035 0.000 1.080 220 Y CB 1.076 39.532 38.460 -0.006 0.000 1.190 220 Y HN 1.028 nan 8.280 nan 0.000 0.446 221 Q N 1.719 121.096 119.800 -0.706 0.000 2.286 221 Q HA -0.374 3.965 4.340 -0.002 0.000 0.417 221 Q C -0.174 175.734 176.000 -0.153 0.000 0.587 221 Q CA 2.259 57.791 55.803 -0.451 0.000 0.976 221 Q CB -0.920 27.493 28.738 -0.542 0.000 2.322 221 Q HN 0.817 nan 8.270 nan 0.000 0.927 222 D N 0.556 120.935 120.400 -0.035 0.000 2.463 222 D HA 0.216 4.855 4.640 -0.002 0.000 0.224 222 D C -0.787 175.685 176.300 0.286 0.000 1.174 222 D CA 0.441 54.517 54.000 0.126 0.000 0.829 222 D CB 0.468 41.355 40.800 0.146 0.000 0.993 222 D HN 0.162 nan 8.370 nan 0.000 0.497 223 T N -0.303 114.328 114.554 0.128 0.000 2.916 223 T HA 0.303 4.652 4.350 -0.002 0.000 0.305 223 T C -0.799 173.883 174.700 -0.030 0.000 1.119 223 T CA -0.520 61.690 62.100 0.183 0.000 1.008 223 T CB 1.567 70.623 68.868 0.313 0.000 1.129 223 T HN -0.170 nan 8.240 nan 0.000 0.480 224 Y N 2.663 123.005 120.300 0.069 0.000 2.327 224 Y HA 0.581 5.130 4.550 -0.002 0.000 0.336 224 Y C 0.764 176.715 175.900 0.085 0.000 1.035 224 Y CA -0.982 57.157 58.100 0.067 0.000 1.165 224 Y CB 0.515 38.980 38.460 0.008 0.000 1.181 224 Y HN 0.529 nan 8.280 nan 0.000 0.494 225 I N 0.541 121.222 120.570 0.184 0.000 2.982 225 I HA 0.411 4.580 4.170 -0.002 0.000 0.312 225 I C 0.063 176.260 176.117 0.132 0.000 1.041 225 I CA -0.979 60.406 61.300 0.141 0.000 1.053 225 I CB 1.645 39.701 38.000 0.092 0.000 1.248 225 I HN 0.559 nan 8.210 nan 0.000 0.471 226 L N 1.577 122.870 121.223 0.116 0.000 2.084 226 L HA 0.254 4.593 4.340 -0.002 0.000 0.202 226 L C 1.323 178.227 176.870 0.057 0.000 1.074 226 L CA 1.308 56.224 54.840 0.127 0.000 0.757 226 L CB -0.286 41.886 42.059 0.189 0.000 0.918 226 L HN 0.773 nan 8.230 nan 0.000 0.444 227 E N -0.036 120.135 120.200 -0.048 0.000 2.422 227 E HA -0.022 4.327 4.350 -0.002 0.000 0.260 227 E C -0.207 176.271 176.600 -0.204 0.000 1.108 227 E CA -0.070 56.151 56.400 -0.297 0.000 0.943 227 E CB 0.426 29.909 29.700 -0.361 0.000 0.961 227 E HN 0.142 nan 8.360 nan 0.000 0.443 228 R N 2.206 122.553 120.500 -0.255 0.000 2.834 228 R HA 0.200 4.539 4.340 -0.002 0.000 0.362 228 R C -0.901 175.319 176.300 -0.134 0.000 1.147 228 R CA -0.165 55.851 56.100 -0.140 0.000 1.125 228 R CB 0.767 31.023 30.300 -0.073 0.000 1.361 228 R HN 0.349 nan 8.270 nan 0.000 0.598 229 T N -0.639 113.831 114.554 -0.139 0.000 2.875 229 T HA 0.404 4.753 4.350 -0.002 0.000 0.284 229 T C 0.955 175.558 174.700 -0.161 0.000 0.995 229 T CA 0.365 62.426 62.100 -0.064 0.000 1.060 229 T CB 1.697 70.552 68.868 -0.021 0.000 0.967 229 T HN 0.569 nan 8.240 nan 0.000 0.476 230 G N 2.222 110.914 108.800 -0.179 0.000 2.198 230 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.260 230 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.260 230 G C 0.013 174.739 174.900 -0.290 0.000 1.025 230 G CA 0.576 45.560 45.100 -0.193 0.000 0.769 230 G HN 0.989 nan 8.290 nan 0.000 0.507 231 I N -3.851 116.499 120.570 -0.366 0.000 2.894 231 I HA 0.875 5.044 4.170 -0.002 0.000 0.302 231 I C -0.100 175.864 176.117 -0.254 0.000 1.188 231 I CA -1.347 59.616 61.300 -0.561 0.000 1.014 231 I CB 2.263 39.667 38.000 -0.993 0.000 1.242 231 I HN 0.495 nan 8.210 nan 0.000 0.430 232 A N 6.231 129.086 122.820 0.059 0.000 2.256 232 A HA 0.863 5.182 4.320 -0.002 0.000 0.317 232 A C -0.442 177.366 177.584 0.373 0.000 1.318 232 A CA -0.507 51.669 52.037 0.231 0.000 0.894 232 A CB 0.499 19.744 19.000 0.408 0.000 1.165 232 A HN 0.784 nan 8.150 nan 0.000 0.525 233 M N 1.142 120.838 119.600 0.160 0.000 2.724 233 M HA 0.627 5.106 4.480 -0.002 0.000 0.310 233 M C -0.021 176.310 176.300 0.052 0.000 1.217 233 M CA -0.465 54.920 55.300 0.142 0.000 0.894 233 M CB 2.551 35.194 32.600 0.070 0.000 1.719 233 M HN 0.580 nan 8.290 nan 0.000 0.479 234 T N 0.412 114.955 114.554 -0.019 0.000 2.909 234 T HA 0.475 4.824 4.350 -0.002 0.000 0.299 234 T C -1.493 173.117 174.700 -0.150 0.000 1.073 234 T CA -0.922 61.051 62.100 -0.212 0.000 0.999 234 T CB 1.027 69.698 68.868 -0.328 0.000 1.098 234 T HN 0.689 nan 8.240 nan 0.000 0.477 235 N N 3.248 121.825 118.700 -0.205 0.000 2.419 235 N HA 0.367 5.106 4.740 -0.002 0.000 0.277 235 N C -1.601 173.881 175.510 -0.046 0.000 1.006 235 N CA -0.270 52.729 53.050 -0.086 0.000 0.923 235 N CB 1.426 39.880 38.487 -0.054 0.000 1.140 235 N HN 0.685 nan 8.380 nan 0.000 0.488 236 Y N 1.993 122.204 120.300 -0.149 0.000 2.555 236 Y HA 0.139 4.688 4.550 -0.002 0.000 0.307 236 Y C -0.957 174.908 175.900 -0.060 0.000 1.138 236 Y CA -0.803 57.221 58.100 -0.127 0.000 1.335 236 Y CB -0.053 38.323 38.460 -0.140 0.000 1.115 236 Y HN 0.351 nan 8.280 nan 0.000 0.565 237 N N 3.318 121.939 118.700 -0.133 0.000 2.223 237 N HA -0.075 4.664 4.740 -0.002 0.000 0.271 237 N C -1.174 174.287 175.510 -0.081 0.000 1.315 237 N CA 1.209 54.207 53.050 -0.087 0.000 0.835 237 N CB -0.048 38.386 38.487 -0.088 0.000 1.066 237 N HN 0.581 nan 8.380 nan 0.000 0.486 238 Y N 0.226 120.400 120.300 -0.210 0.000 2.576 238 Y HA 0.170 4.719 4.550 -0.002 0.000 0.346 238 Y C -0.149 175.639 175.900 -0.187 0.000 1.018 238 Y CA -1.343 56.640 58.100 -0.196 0.000 1.050 238 Y CB 1.455 39.819 38.460 -0.160 0.000 1.280 238 Y HN 0.361 nan 8.280 nan 0.000 0.474 239 D N 2.482 122.689 120.400 -0.321 0.000 2.688 239 D HA 0.004 4.643 4.640 -0.002 0.000 0.228 239 D C -0.721 175.612 176.300 0.056 0.000 1.116 239 D CA 0.252 54.205 54.000 -0.078 0.000 1.023 239 D CB -0.773 39.943 40.800 -0.140 0.000 1.100 239 D HN 0.392 nan 8.370 nan 0.000 0.487 240 N N 3.083 121.737 118.700 -0.078 0.000 3.083 240 N HA 0.098 4.837 4.740 -0.002 0.000 0.260 240 N C -0.618 175.025 175.510 0.221 0.000 1.163 240 N CA -0.542 52.547 53.050 0.066 0.000 1.060 240 N CB -0.148 38.286 38.487 -0.088 0.000 1.345 240 N HN 0.381 nan 8.380 nan 0.000 0.515 241 L N 2.740 124.142 121.223 0.298 0.000 2.559 241 L HA 0.045 4.384 4.340 -0.002 0.000 0.274 241 L C 0.546 177.576 176.870 0.267 0.000 1.205 241 L CA 0.696 55.732 54.840 0.326 0.000 0.907 241 L CB -0.149 42.079 42.059 0.281 0.000 1.153 241 L HN 0.752 nan 8.230 nan 0.000 0.490 242 N N 2.691 121.495 118.700 0.173 0.000 2.900 242 N HA -0.299 4.440 4.740 -0.002 0.000 0.240 242 N C -0.548 175.069 175.510 0.177 0.000 0.953 242 N CA 0.854 53.934 53.050 0.050 0.000 0.950 242 N CB -0.797 37.786 38.487 0.160 0.000 1.102 242 N HN 0.783 nan 8.380 nan 0.000 0.593 243 Y N -2.687 117.786 120.300 0.288 0.000 4.668 243 Y HA -0.253 4.296 4.550 -0.001 0.000 0.234 243 Y C 0.499 176.479 175.900 0.134 0.000 1.056 243 Y CA 1.028 59.236 58.100 0.181 0.000 2.025 243 Y CB -2.706 35.873 38.460 0.198 0.000 1.613 243 Y HN 0.678 nan 8.280 nan 0.000 0.653 244 N N -1.635 117.239 118.700 0.290 0.000 2.595 244 N HA 0.104 4.843 4.740 -0.002 0.000 0.291 244 N C -0.528 175.135 175.510 0.254 0.000 1.706 244 N CA -0.324 52.866 53.050 0.233 0.000 0.867 244 N CB 0.301 38.935 38.487 0.244 0.000 1.414 244 N HN 0.081 nan 8.380 nan 0.000 0.492 245 Q N 0.234 120.182 119.800 0.247 0.000 2.330 245 Q HA -0.067 4.272 4.340 -0.002 0.000 0.279 245 Q C 0.829 177.024 176.000 0.325 0.000 1.024 245 Q CA -0.045 55.938 55.803 0.300 0.000 0.900 245 Q CB 1.179 30.116 28.738 0.333 0.000 1.221 245 Q HN 0.569 nan 8.270 nan 0.000 0.396 246 W N 3.892 125.284 121.300 0.154 0.000 2.338 246 W HA -0.206 4.453 4.660 -0.001 0.000 0.304 246 W C 0.789 177.382 176.519 0.122 0.000 1.212 246 W CA 1.696 59.118 57.345 0.127 0.000 1.264 246 W CB 0.289 29.822 29.460 0.121 0.000 1.142 246 W HN 0.736 nan 8.180 nan 0.000 0.512 247 D N 0.590 121.097 120.400 0.178 0.000 2.309 247 D HA -0.192 4.447 4.640 -0.002 0.000 0.212 247 D C 1.785 178.154 176.300 0.116 0.000 0.968 247 D CA 0.982 55.031 54.000 0.082 0.000 0.882 247 D CB -1.170 39.772 40.800 0.236 0.000 0.918 247 D HN 0.277 nan 8.370 nan 0.000 0.503 248 L N 0.379 121.642 121.223 0.067 0.000 2.627 248 L HA 0.124 4.463 4.340 -0.002 0.000 0.232 248 L C 1.131 178.070 176.870 0.115 0.000 1.150 248 L CA -0.394 54.479 54.840 0.055 0.000 0.917 248 L CB -0.383 41.630 42.059 -0.077 0.000 1.104 248 L HN 0.013 nan 8.230 nan 0.000 0.445 249 R N 0.498 120.933 120.500 -0.108 0.000 2.539 249 R HA 0.351 4.690 4.340 -0.002 0.000 0.275 249 R C -2.519 173.507 176.300 -0.455 0.000 1.077 249 R CA -1.710 54.209 56.100 -0.303 0.000 1.097 249 R CB -0.411 29.506 30.300 -0.639 0.000 1.018 249 R HN -0.189 nan 8.270 nan 0.000 0.483 250 P HA 0.088 nan 4.420 nan 0.000 0.269 250 P C -2.419 174.326 177.300 -0.924 0.000 1.217 250 P CA -1.025 61.248 63.100 -1.379 0.000 0.783 250 P CB -0.175 31.029 31.700 -0.826 0.000 0.898 251 P HA -0.028 nan 4.420 nan 0.000 0.262 251 P C -0.471 176.646 177.300 -0.306 0.000 1.182 251 P CA 0.705 63.431 63.100 -0.622 0.000 0.761 251 P CB -0.375 31.018 31.700 -0.511 0.000 0.795 252 H N -1.760 117.196 119.070 -0.190 0.000 2.820 252 H HA -0.250 4.305 4.556 -0.002 0.000 0.295 252 H C 0.279 175.565 175.328 -0.069 0.000 1.187 252 H CA 0.423 56.412 56.048 -0.099 0.000 1.144 252 H CB -2.448 27.272 29.762 -0.070 0.000 1.354 252 H HN 0.597 nan 8.280 nan 0.000 0.395 253 H N 0.932 119.926 119.070 -0.127 0.000 2.803 253 H HA 0.282 4.837 4.556 -0.002 0.000 0.330 253 H C -0.170 175.185 175.328 0.044 0.000 1.057 253 H CA -0.097 55.907 56.048 -0.073 0.000 1.458 253 H CB 0.642 30.301 29.762 -0.172 0.000 1.470 253 H HN 0.262 nan 8.280 nan 0.000 0.560 254 D N 3.212 123.397 120.400 -0.357 0.000 2.278 254 D HA 0.466 5.105 4.640 -0.002 0.000 0.245 254 D C 0.246 176.509 176.300 -0.062 0.000 1.052 254 D CA 0.987 54.943 54.000 -0.073 0.000 0.834 254 D CB 1.492 42.266 40.800 -0.043 0.000 1.194 254 D HN 0.986 nan 8.370 nan 0.000 0.481 255 G N 1.513 110.442 108.800 0.215 0.000 2.741 255 G HA2 0.141 4.100 3.960 -0.002 0.000 0.222 255 G HA3 0.141 4.100 3.960 -0.002 0.000 0.222 255 G C 0.067 175.219 174.900 0.420 0.000 1.364 255 G CA -0.496 44.737 45.100 0.222 0.000 0.866 255 G HN 0.852 nan 8.290 nan 0.000 0.555 256 A N -0.829 122.177 122.820 0.310 0.000 2.584 256 A HA 0.435 4.754 4.320 -0.002 0.000 0.239 256 A C 0.490 178.409 177.584 0.558 0.000 1.043 256 A CA 1.062 53.315 52.037 0.360 0.000 0.756 256 A CB 0.395 19.539 19.000 0.240 0.000 0.963 256 A HN 2.131 nan 8.150 nan 0.000 0.511 257 L N 3.608 125.151 121.223 0.534 0.000 2.265 257 L HA 0.365 4.704 4.340 -0.002 0.000 0.288 257 L C -0.343 176.686 176.870 0.265 0.000 1.058 257 L CA -0.242 54.788 54.840 0.316 0.000 0.809 257 L CB 0.565 42.757 42.059 0.221 0.000 1.179 257 L HN 0.681 nan 8.230 nan 0.000 0.429 258 N N 5.771 124.609 118.700 0.230 0.000 2.509 258 N HA 0.431 5.170 4.740 -0.002 0.000 0.287 258 N C -2.541 173.067 175.510 0.164 0.000 1.121 258 N CA -1.834 51.347 53.050 0.219 0.000 0.977 258 N CB 0.699 39.326 38.487 0.233 0.000 1.167 258 N HN 0.391 nan 8.380 nan 0.000 0.476 259 P HA 0.150 nan 4.420 nan 0.000 0.264 259 P C -0.612 176.792 177.300 0.173 0.000 1.193 259 P CA 0.565 63.766 63.100 0.168 0.000 0.763 259 P CB 0.587 32.385 31.700 0.163 0.000 0.810 260 D N 0.452 120.815 120.400 -0.062 0.000 2.692 260 D HA 0.054 4.693 4.640 -0.002 0.000 0.290 260 D C 0.461 176.562 176.300 -0.331 0.000 1.281 260 D CA -0.452 53.431 54.000 -0.196 0.000 0.804 260 D CB 0.337 40.870 40.800 -0.445 0.000 1.331 260 D HN 0.289 nan 8.370 nan 0.000 0.432 261 Y N 0.330 120.543 120.300 -0.145 0.000 2.384 261 Y HA -0.128 4.421 4.550 -0.002 0.000 0.289 261 Y C 1.287 177.216 175.900 0.047 0.000 1.152 261 Y CA 1.256 59.354 58.100 -0.003 0.000 1.258 261 Y CB -0.975 37.542 38.460 0.094 0.000 0.979 261 Y HN 0.369 nan 8.280 nan 0.000 0.549 262 Y N -0.106 120.119 120.300 -0.125 0.000 2.532 262 Y HA 0.540 5.089 4.550 -0.002 0.000 0.283 262 Y C -0.435 175.500 175.900 0.059 0.000 1.181 262 Y CA -1.960 56.160 58.100 0.033 0.000 1.256 262 Y CB -0.782 37.711 38.460 0.055 0.000 1.112 262 Y HN 0.015 nan 8.280 nan 0.000 0.521 263 I N 4.497 125.013 120.570 -0.090 0.000 2.406 263 I HA 0.364 4.533 4.170 -0.002 0.000 0.290 263 I C -2.318 173.780 176.117 -0.033 0.000 0.999 263 I CA -2.499 58.778 61.300 -0.038 0.000 1.124 263 I CB 1.976 39.915 38.000 -0.101 0.000 1.289 263 I HN -0.096 nan 8.210 nan 0.000 0.441 264 P HA 0.244 nan 4.420 nan 0.000 0.272 264 P C -0.698 176.556 177.300 -0.077 0.000 1.240 264 P CA -0.237 62.835 63.100 -0.047 0.000 0.791 264 P CB 1.241 32.916 31.700 -0.041 0.000 0.978 265 M N -0.126 119.432 119.600 -0.070 0.000 2.461 265 M HA 0.237 4.716 4.480 -0.002 0.000 0.253 265 M C 1.278 177.495 176.300 -0.137 0.000 0.930 265 M CA -0.342 54.864 55.300 -0.156 0.000 1.313 265 M CB -0.266 32.278 32.600 -0.094 0.000 1.437 265 M HN 0.249 nan 8.290 nan 0.000 0.713 266 Y N -1.385 118.929 120.300 0.023 0.000 2.503 266 Y HA 0.101 4.650 4.550 -0.002 0.000 0.278 266 Y C 0.282 176.235 175.900 0.088 0.000 1.111 266 Y CA 0.321 58.435 58.100 0.024 0.000 1.270 266 Y CB 0.241 38.667 38.460 -0.057 0.000 1.063 266 Y HN 0.331 nan 8.280 nan 0.000 0.548 267 Y N 0.360 120.725 120.300 0.109 0.000 2.468 267 Y HA 0.700 5.249 4.550 -0.002 0.000 0.342 267 Y C -0.604 175.350 175.900 0.090 0.000 1.021 267 Y CA -2.133 56.017 58.100 0.084 0.000 1.079 267 Y CB 1.247 39.741 38.460 0.057 0.000 1.226 267 Y HN -0.158 nan 8.280 nan 0.000 0.460 268 A N 3.977 126.660 122.820 -0.228 0.000 2.273 268 A HA 0.745 5.064 4.320 -0.002 0.000 0.320 268 A C -0.920 176.664 177.584 0.000 0.000 1.358 268 A CA -0.125 51.890 52.037 -0.036 0.000 0.910 268 A CB -0.532 18.490 19.000 0.037 0.000 1.159 268 A HN 0.952 nan 8.150 nan 0.000 0.526 269 A N 4.569 127.465 122.820 0.125 0.000 2.664 269 A HA 0.681 5.000 4.320 -0.002 0.000 0.338 269 A C -2.770 174.956 177.584 0.236 0.000 1.280 269 A CA -1.422 50.738 52.037 0.205 0.000 0.809 269 A CB 0.418 19.609 19.000 0.319 0.000 1.114 269 A HN 0.425 nan 8.150 nan 0.000 0.479 270 P HA 0.077 nan 4.420 nan 0.000 0.226 270 P C -0.761 176.733 177.300 0.323 0.000 1.783 270 P CA 0.423 63.627 63.100 0.174 0.000 0.980 270 P CB -0.498 31.271 31.700 0.116 0.000 1.967 271 W N 3.980 125.312 121.300 0.053 0.000 3.211 271 W HA 0.478 5.137 4.660 -0.002 0.000 0.335 271 W C -2.607 173.916 176.519 0.007 0.000 1.113 271 W CA -0.824 56.550 57.345 0.049 0.000 1.235 271 W CB 1.353 30.869 29.460 0.094 0.000 1.365 271 W HN -0.196 nan 8.180 nan 0.000 0.476 272 L N 6.883 127.737 121.223 -0.614 0.000 2.401 272 L HA 0.542 4.881 4.340 -0.002 0.000 0.266 272 L C -0.269 176.113 176.870 -0.812 0.000 0.991 272 L CA -1.140 53.377 54.840 -0.537 0.000 0.818 272 L CB 2.681 44.647 42.059 -0.156 0.000 1.321 272 L HN 0.299 nan 8.230 nan 0.000 0.413 273 I N 2.883 123.102 120.570 -0.585 0.000 2.330 273 I HA 0.334 4.503 4.170 -0.002 0.000 0.289 273 I C -0.249 175.688 176.117 -0.300 0.000 1.001 273 I CA -0.831 60.182 61.300 -0.478 0.000 1.193 273 I CB 1.817 39.629 38.000 -0.314 0.000 1.345 273 I HN 0.176 nan 8.210 nan 0.000 0.461 274 V N 5.617 125.214 119.914 -0.529 0.000 2.546 274 V HA 0.263 4.382 4.120 -0.002 0.000 0.284 274 V C -0.061 175.722 176.094 -0.517 0.000 1.050 274 V CA -0.272 61.601 62.300 -0.712 0.000 0.981 274 V CB 1.406 32.507 31.823 -1.203 0.000 0.990 274 V HN 0.706 nan 8.190 nan 0.000 0.474 275 N N 2.622 121.065 118.700 -0.428 0.000 2.430 275 N HA 0.682 5.421 4.740 -0.002 0.000 0.290 275 N C -0.395 174.824 175.510 -0.486 0.000 1.063 275 N CA -0.050 52.766 53.050 -0.390 0.000 0.883 275 N CB 2.002 40.372 38.487 -0.195 0.000 1.465 275 N HN 0.851 nan 8.380 nan 0.000 0.493 276 G N 0.536 108.809 108.800 -0.880 0.000 2.533 276 G HA2 0.462 4.421 3.960 -0.002 0.000 0.304 276 G HA3 0.462 4.421 3.960 -0.002 0.000 0.304 276 G C -0.142 174.472 174.900 -0.477 0.000 1.263 276 G CA -0.528 44.120 45.100 -0.754 0.000 0.964 276 G HN 0.812 nan 8.290 nan 0.000 0.479 277 C N -0.479 118.733 119.300 -0.146 0.000 4.268 277 C HA -0.082 4.377 4.460 -0.002 0.000 0.299 277 C C 1.596 176.546 174.990 -0.067 0.000 1.429 277 C CA -0.296 58.699 59.018 -0.037 0.000 2.018 277 C CB -2.714 25.066 27.740 0.067 0.000 1.277 277 C HN 1.402 nan 8.230 nan 0.000 0.767 278 A N -0.201 122.564 122.820 -0.092 0.000 2.511 278 A HA 0.468 4.787 4.320 -0.002 0.000 0.242 278 A C 1.516 179.078 177.584 -0.036 0.000 1.069 278 A CA 1.245 53.236 52.037 -0.077 0.000 0.763 278 A CB -0.063 18.895 19.000 -0.069 0.000 1.001 278 A HN 2.421 nan 8.150 nan 0.000 0.498 279 G N 1.348 110.134 108.800 -0.023 0.000 2.148 279 G HA2 -0.109 3.850 3.960 -0.002 0.000 0.254 279 G HA3 -0.109 3.850 3.960 -0.002 0.000 0.254 279 G C 0.407 175.309 174.900 0.002 0.000 0.981 279 G CA 1.228 46.329 45.100 0.002 0.000 0.670 279 G HN 2.282 nan 8.290 nan 0.000 0.528 280 T N -3.156 111.395 114.554 -0.006 0.000 2.930 280 T HA 0.702 5.051 4.350 -0.002 0.000 0.290 280 T C 1.624 176.324 174.700 -0.001 0.000 1.052 280 T CA 0.731 62.831 62.100 0.000 0.000 1.017 280 T CB 1.470 70.341 68.868 0.004 0.000 1.137 280 T HN 1.066 nan 8.240 nan 0.000 0.511 281 S N 0.021 115.721 115.700 -0.000 0.000 2.462 281 S HA -0.183 4.286 4.470 -0.002 0.000 0.243 281 S C 1.143 175.747 174.600 0.007 0.000 1.003 281 S CA 1.323 59.522 58.200 -0.002 0.000 0.970 281 S CB -0.853 62.345 63.200 -0.004 0.000 0.762 281 S HN 0.964 nan 8.310 nan 0.000 0.510 282 E N 0.489 120.701 120.200 0.020 0.000 2.558 282 E HA 0.224 4.573 4.350 -0.002 0.000 0.205 282 E C 0.281 176.937 176.600 0.093 0.000 1.006 282 E CA -0.629 55.798 56.400 0.044 0.000 0.961 282 E CB -0.151 29.570 29.700 0.036 0.000 1.044 282 E HN 0.569 nan 8.360 nan 0.000 0.465 283 Q N 1.501 121.332 119.800 0.052 0.000 2.304 283 Q HA -0.033 4.306 4.340 -0.002 0.000 0.301 283 Q C -1.066 175.000 176.000 0.111 0.000 1.063 283 Q CA 0.288 56.106 55.803 0.025 0.000 0.947 283 Q CB 0.286 29.007 28.738 -0.030 0.000 1.201 283 Q HN 0.452 nan 8.270 nan 0.000 0.389 284 Y N -0.263 120.040 120.300 0.005 0.000 2.570 284 Y HA 0.792 5.341 4.550 -0.002 0.000 0.345 284 Y C -1.073 174.857 175.900 0.049 0.000 1.014 284 Y CA -1.135 56.992 58.100 0.046 0.000 1.063 284 Y CB 1.870 40.369 38.460 0.066 0.000 1.272 284 Y HN 0.385 nan 8.280 nan 0.000 0.477 285 S N 1.897 117.729 115.700 0.220 0.000 2.603 285 S HA 0.500 4.969 4.470 -0.002 0.000 0.274 285 S C -1.998 172.758 174.600 0.261 0.000 1.168 285 S CA -0.870 57.374 58.200 0.074 0.000 0.963 285 S CB 0.791 63.992 63.200 0.002 0.000 1.078 285 S HN 0.816 nan 8.310 nan 0.000 0.477 286 Y N -0.335 119.980 120.300 0.025 0.000 2.492 286 Y HA 0.866 5.415 4.550 -0.002 0.000 0.346 286 Y C 0.006 175.764 175.900 -0.237 0.000 0.997 286 Y CA -1.188 56.798 58.100 -0.190 0.000 1.025 286 Y CB 0.635 38.802 38.460 -0.488 0.000 1.263 286 Y HN 0.655 nan 8.280 nan 0.000 0.454 287 G N 1.782 110.497 108.800 -0.142 0.000 2.448 287 G HA2 0.360 4.319 3.960 -0.002 0.000 0.285 287 G HA3 0.360 4.319 3.960 -0.002 0.000 0.285 287 G C -2.149 172.662 174.900 -0.149 0.000 1.176 287 G CA -0.507 44.320 45.100 -0.455 0.000 0.852 287 G HN 0.787 nan 8.290 nan 0.000 0.530 288 W N 3.229 124.185 121.300 -0.574 0.000 2.756 288 W HA 0.628 5.287 4.660 -0.002 0.000 0.333 288 W C -2.513 173.991 176.519 -0.026 0.000 1.025 288 W CA -2.632 54.593 57.345 -0.200 0.000 1.246 288 W CB 1.388 30.848 29.460 0.001 0.000 1.358 288 W HN 0.250 nan 8.180 nan 0.000 0.444 289 F N 8.476 128.570 119.950 0.240 0.000 2.500 289 F HA 0.496 5.022 4.527 -0.002 0.000 0.349 289 F C -0.846 175.030 175.800 0.127 0.000 1.127 289 F CA -1.383 56.733 58.000 0.193 0.000 0.998 289 F CB 1.157 40.256 39.000 0.165 0.000 1.237 289 F HN 0.240 nan 8.300 nan 0.000 0.439 290 M N 5.629 125.021 119.600 -0.347 0.000 2.113 290 M HA 0.262 4.741 4.480 -0.002 0.000 0.352 290 M C -1.003 174.783 176.300 -0.856 0.000 1.170 290 M CA -0.273 54.723 55.300 -0.506 0.000 1.053 290 M CB 0.578 32.974 32.600 -0.339 0.000 1.601 290 M HN 0.537 nan 8.290 nan 0.000 0.459 291 D N 5.142 125.010 120.400 -0.886 0.000 2.500 291 D HA 0.262 4.901 4.640 -0.002 0.000 0.219 291 D C -1.444 174.725 176.300 -0.218 0.000 1.137 291 D CA 0.284 53.870 54.000 -0.690 0.000 0.946 291 D CB 0.261 40.826 40.800 -0.392 0.000 1.022 291 D HN 0.623 nan 8.370 nan 0.000 0.518 292 N N 2.602 121.230 118.700 -0.120 0.000 2.369 292 N HA 0.117 4.856 4.740 -0.002 0.000 0.287 292 N C -0.073 175.302 175.510 -0.225 0.000 1.067 292 N CA -0.445 52.519 53.050 -0.143 0.000 0.888 292 N CB 2.158 40.564 38.487 -0.135 0.000 1.616 292 N HN 0.048 nan 8.380 nan 0.000 0.482 293 V N 0.564 120.288 119.914 -0.316 0.000 3.214 293 V HA 0.327 4.446 4.120 -0.002 0.000 0.330 293 V C 0.865 176.807 176.094 -0.253 0.000 1.403 293 V CA -0.149 61.880 62.300 -0.452 0.000 1.143 293 V CB -0.500 30.941 31.823 -0.638 0.000 1.098 293 V HN 0.546 nan 8.190 nan 0.000 0.463 294 S N -0.240 115.381 115.700 -0.131 0.000 2.671 294 S HA 0.389 4.858 4.470 -0.002 0.000 0.272 294 S C 0.154 174.720 174.600 -0.057 0.000 1.174 294 S CA -0.388 57.791 58.200 -0.034 0.000 1.004 294 S CB 0.934 64.214 63.200 0.133 0.000 1.077 294 S HN 0.622 nan 8.310 nan 0.000 0.553 295 Q N 0.815 120.622 119.800 0.011 0.000 2.274 295 Q HA 0.273 4.612 4.340 -0.002 0.000 0.280 295 Q C -0.393 175.379 176.000 -0.380 0.000 1.047 295 Q CA -0.040 55.696 55.803 -0.111 0.000 0.907 295 Q CB 0.257 28.967 28.738 -0.047 0.000 1.171 295 Q HN 0.803 nan 8.270 nan 0.000 0.381 296 S N 3.369 118.739 115.700 -0.550 0.000 2.599 296 S HA 0.683 5.152 4.470 -0.002 0.000 0.294 296 S C -1.389 172.698 174.600 -0.855 0.000 1.094 296 S CA -0.711 57.160 58.200 -0.549 0.000 0.931 296 S CB 1.046 64.104 63.200 -0.236 0.000 1.093 296 S HN 0.541 nan 8.310 nan 0.000 0.488 297 Y N -0.079 120.034 120.300 -0.313 0.000 2.545 297 Y HA 0.716 5.265 4.550 -0.002 0.000 0.348 297 Y C -0.358 175.399 175.900 -0.239 0.000 1.002 297 Y CA -1.154 56.765 58.100 -0.302 0.000 1.039 297 Y CB 2.288 40.476 38.460 -0.453 0.000 1.271 297 Y HN 0.633 nan 8.280 nan 0.000 0.467 298 M N 2.832 122.365 119.600 -0.112 0.000 2.122 298 M HA 0.268 4.747 4.480 -0.002 0.000 0.269 298 M C -1.290 174.792 176.300 -0.364 0.000 0.954 298 M CA -0.292 54.835 55.300 -0.289 0.000 0.998 298 M CB 1.486 33.928 32.600 -0.263 0.000 1.755 298 M HN 0.501 nan 8.290 nan 0.000 0.459 299 N N 1.776 120.075 118.700 -0.667 0.000 2.417 299 N HA 0.382 5.121 4.740 -0.002 0.000 0.274 299 N C -0.381 174.766 175.510 -0.605 0.000 0.987 299 N CA -0.034 52.614 53.050 -0.671 0.000 0.912 299 N CB 1.619 39.426 38.487 -1.134 0.000 1.177 299 N HN 0.734 nan 8.380 nan 0.000 0.490 300 T N -0.074 114.171 114.554 -0.515 0.000 3.258 300 T HA 0.401 4.750 4.350 -0.002 0.000 0.259 300 T C 0.802 175.221 174.700 -0.468 0.000 0.963 300 T CA -0.096 61.572 62.100 -0.722 0.000 0.919 300 T CB -0.340 67.985 68.868 -0.905 0.000 1.110 300 T HN 0.620 nan 8.240 nan 0.000 0.550 301 G N 0.924 109.552 108.800 -0.287 0.000 2.237 301 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.153 301 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.153 301 G C -0.641 174.192 174.900 -0.112 0.000 1.039 301 G CA -0.540 44.472 45.100 -0.146 0.000 0.719 301 G HN 0.599 nan 8.290 nan 0.000 0.491 302 D N 0.865 121.201 120.400 -0.105 0.000 2.317 302 D HA 0.534 5.173 4.640 -0.002 0.000 0.234 302 D C 1.807 178.104 176.300 -0.005 0.000 1.112 302 D CA 0.398 54.361 54.000 -0.062 0.000 0.840 302 D CB 1.059 41.839 40.800 -0.034 0.000 1.078 302 D HN 0.218 nan 8.370 nan 0.000 0.486 303 T N -0.196 114.340 114.554 -0.031 0.000 3.148 303 T HA 0.037 4.386 4.350 -0.002 0.000 0.253 303 T C 0.748 175.409 174.700 -0.065 0.000 1.134 303 T CA -0.098 61.986 62.100 -0.026 0.000 1.051 303 T CB -0.296 68.549 68.868 -0.038 0.000 0.959 303 T HN 0.221 nan 8.240 nan 0.000 0.525 304 T N 2.926 117.398 114.554 -0.136 0.000 2.870 304 T HA 0.127 4.476 4.350 -0.002 0.000 0.300 304 T C 0.100 174.678 174.700 -0.203 0.000 0.989 304 T CA -0.268 61.570 62.100 -0.436 0.000 1.139 304 T CB -0.086 68.254 68.868 -0.880 0.000 0.920 304 T HN 0.581 nan 8.240 nan 0.000 0.537 305 W N 1.507 122.850 121.300 0.071 0.000 3.904 305 W HA -0.288 4.371 4.660 -0.002 0.000 0.312 305 W C 0.798 177.354 176.519 0.062 0.000 1.159 305 W CA 0.429 57.821 57.345 0.078 0.000 0.704 305 W CB -2.720 26.827 29.460 0.145 0.000 2.209 305 W HN 1.057 nan 8.180 nan 0.000 1.468 306 N N -0.049 118.747 118.700 0.159 0.000 2.721 306 N HA -0.269 4.470 4.740 -0.002 0.000 0.249 306 N C 0.970 176.562 175.510 0.137 0.000 1.072 306 N CA 1.615 54.729 53.050 0.106 0.000 0.710 306 N CB -0.869 37.660 38.487 0.070 0.000 0.993 306 N HN 0.372 nan 8.380 nan 0.000 0.547 307 S N -2.695 113.137 115.700 0.220 0.000 2.461 307 S HA 0.330 4.800 4.470 -0.002 0.000 0.228 307 S C 1.032 175.784 174.600 0.252 0.000 1.005 307 S CA 0.710 59.059 58.200 0.247 0.000 0.942 307 S CB 0.617 64.037 63.200 0.366 0.000 0.776 307 S HN 0.713 nan 8.310 nan 0.000 0.514 308 G N -0.600 108.305 108.800 0.176 0.000 2.663 308 G HA2 0.612 4.572 3.960 -0.002 0.000 0.299 308 G HA3 0.612 4.572 3.960 -0.002 0.000 0.299 308 G C -2.130 172.811 174.900 0.069 0.000 1.372 308 G CA -0.929 44.273 45.100 0.170 0.000 0.781 308 G HN 0.273 nan 8.290 nan 0.000 0.491 309 Q N -0.584 119.246 119.800 0.051 0.000 2.394 309 Q HA 0.321 4.660 4.340 -0.002 0.000 0.273 309 Q C 0.393 176.389 176.000 -0.006 0.000 1.089 309 Q CA -0.819 54.991 55.803 0.012 0.000 0.812 309 Q CB 3.097 31.838 28.738 0.004 0.000 1.353 309 Q HN 0.654 nan 8.270 nan 0.000 0.438 310 E N 0.943 121.132 120.200 -0.018 0.000 2.097 310 E HA -0.225 4.124 4.350 -0.002 0.000 0.196 310 E C 0.148 176.735 176.600 -0.021 0.000 1.000 310 E CA 1.355 57.740 56.400 -0.024 0.000 0.804 310 E CB 0.220 29.908 29.700 -0.020 0.000 0.740 310 E HN 0.548 nan 8.360 nan 0.000 0.454 311 D N -0.276 120.107 120.400 -0.029 0.000 2.349 311 D HA 0.134 4.773 4.640 -0.002 0.000 0.214 311 D C 0.307 176.571 176.300 -0.060 0.000 1.063 311 D CA 0.273 54.237 54.000 -0.060 0.000 0.847 311 D CB 0.524 41.276 40.800 -0.080 0.000 0.933 311 D HN 0.079 nan 8.370 nan 0.000 0.513 312 L N 0.137 121.359 121.223 -0.002 0.000 2.323 312 L HA 0.730 5.069 4.340 -0.002 0.000 0.265 312 L C -0.406 176.512 176.870 0.080 0.000 1.012 312 L CA -1.014 53.862 54.840 0.060 0.000 0.820 312 L CB 2.210 44.322 42.059 0.088 0.000 1.334 312 L HN -0.235 nan 8.230 nan 0.000 0.427 313 A N 1.330 124.255 122.820 0.174 0.000 2.422 313 A HA 0.809 5.128 4.320 -0.002 0.000 0.302 313 A C -1.632 176.171 177.584 0.364 0.000 1.041 313 A CA -0.397 51.697 52.037 0.095 0.000 0.708 313 A CB 1.449 20.459 19.000 0.017 0.000 1.257 313 A HN 0.658 nan 8.150 nan 0.000 0.414 314 Y N -0.528 119.830 120.300 0.097 0.000 2.669 314 Y HA 0.891 5.440 4.550 -0.002 0.000 0.335 314 Y C -0.841 174.987 175.900 -0.120 0.000 1.116 314 Y CA -1.660 56.539 58.100 0.166 0.000 1.081 314 Y CB 1.364 39.916 38.460 0.154 0.000 1.297 314 Y HN 0.551 nan 8.280 nan 0.000 0.484 315 M N 1.264 121.000 119.600 0.227 0.000 2.572 315 M HA 0.759 5.238 4.480 -0.002 0.000 0.299 315 M C -0.547 175.976 176.300 0.370 0.000 1.205 315 M CA -0.693 54.638 55.300 0.052 0.000 0.876 315 M CB 2.621 35.003 32.600 -0.363 0.000 1.728 315 M HN 1.106 nan 8.290 nan 0.000 0.458 316 G N 0.683 109.686 108.800 0.338 0.000 2.600 316 G HA2 0.882 4.841 3.960 -0.002 0.000 0.293 316 G HA3 0.882 4.841 3.960 -0.002 0.000 0.293 316 G C -2.373 172.662 174.900 0.226 0.000 1.408 316 G CA -0.408 44.962 45.100 0.450 0.000 0.782 316 G HN 0.941 nan 8.290 nan 0.000 0.482 317 A N -1.069 121.921 122.820 0.283 0.000 2.609 317 A HA 0.703 5.022 4.320 -0.002 0.000 0.291 317 A C 0.300 178.012 177.584 0.213 0.000 1.096 317 A CA -0.291 51.821 52.037 0.124 0.000 0.684 317 A CB 1.531 20.550 19.000 0.032 0.000 1.282 317 A HN 0.422 nan 8.150 nan 0.000 0.412 318 Q N -0.658 119.229 119.800 0.145 0.000 2.187 318 Q HA 0.079 4.418 4.340 -0.002 0.000 0.199 318 Q C -0.570 175.255 176.000 -0.293 0.000 0.957 318 Q CA 1.573 57.411 55.803 0.058 0.000 0.857 318 Q CB -0.045 28.794 28.738 0.170 0.000 0.929 318 Q HN 0.673 nan 8.270 nan 0.000 0.453 319 Y N -1.206 119.133 120.300 0.065 0.000 2.598 319 Y HA 0.553 5.102 4.550 -0.002 0.000 0.340 319 Y C 0.896 176.806 175.900 0.016 0.000 1.038 319 Y CA -0.892 57.234 58.100 0.043 0.000 1.100 319 Y CB 1.265 39.758 38.460 0.056 0.000 1.281 319 Y HN -0.064 nan 8.280 nan 0.000 0.488 320 G N 1.235 110.113 108.800 0.129 0.000 2.621 320 G HA2 0.461 4.420 3.960 -0.002 0.000 0.271 320 G HA3 0.461 4.420 3.960 -0.002 0.000 0.271 320 G C -2.528 172.402 174.900 0.051 0.000 1.236 320 G CA -1.055 44.057 45.100 0.020 0.000 0.958 320 G HN 0.367 nan 8.290 nan 0.000 0.512 321 P HA 0.349 nan 4.420 nan 0.000 0.282 321 P C -1.336 175.898 177.300 -0.110 0.000 1.287 321 P CA -0.661 62.382 63.100 -0.094 0.000 0.792 321 P CB 1.053 32.718 31.700 -0.059 0.000 1.163 322 F N 0.635 120.328 119.950 -0.428 0.000 2.411 322 F HA 0.476 5.002 4.527 -0.002 0.000 0.352 322 F C -0.634 175.028 175.800 -0.229 0.000 1.123 322 F CA -0.202 57.556 58.000 -0.403 0.000 1.044 322 F CB 0.912 39.387 39.000 -0.875 0.000 1.135 322 F HN 0.127 nan 8.300 nan 0.000 0.461 323 D N 5.834 126.183 120.400 -0.086 0.000 2.614 323 D HA 0.143 4.782 4.640 -0.002 0.000 0.203 323 D C -1.936 174.288 176.300 -0.126 0.000 1.312 323 D CA -0.207 53.813 54.000 0.034 0.000 0.889 323 D CB 1.618 42.439 40.800 0.036 0.000 1.615 323 D HN 0.761 nan 8.370 nan 0.000 0.567 324 Q N 2.994 122.758 119.800 -0.059 0.000 2.289 324 Q HA 0.387 4.726 4.340 -0.002 0.000 0.270 324 Q C -1.567 174.319 176.000 -0.190 0.000 1.038 324 Q CA -0.625 55.094 55.803 -0.138 0.000 0.812 324 Q CB 1.434 30.103 28.738 -0.115 0.000 1.300 324 Q HN 0.488 nan 8.270 nan 0.000 0.427 325 H N 2.032 121.028 119.070 -0.124 0.000 2.472 325 H HA 0.486 5.041 4.556 -0.002 0.000 0.338 325 H C -1.302 173.815 175.328 -0.353 0.000 1.133 325 H CA -0.062 55.964 56.048 -0.037 0.000 1.216 325 H CB 0.915 30.848 29.762 0.285 0.000 1.497 325 H HN 0.390 nan 8.280 nan 0.000 0.500 326 F N 1.878 121.819 119.950 -0.015 0.000 2.449 326 F HA 0.454 4.980 4.527 -0.002 0.000 0.342 326 F C -0.645 175.093 175.800 -0.103 0.000 1.127 326 F CA -0.849 57.039 58.000 -0.186 0.000 0.975 326 F CB 1.375 40.102 39.000 -0.454 0.000 1.146 326 F HN 0.181 nan 8.300 nan 0.000 0.444 327 V N 4.509 124.404 119.914 -0.033 0.000 2.419 327 V HA 0.203 4.322 4.120 -0.002 0.000 0.287 327 V C -0.598 175.487 176.094 -0.015 0.000 1.017 327 V CA -0.748 61.621 62.300 0.115 0.000 0.844 327 V CB 0.876 32.854 31.823 0.258 0.000 1.011 327 V HN 0.749 nan 8.190 nan 0.000 0.429 328 Y N 2.558 123.016 120.300 0.264 0.000 2.497 328 Y HA 0.538 5.087 4.550 -0.002 0.000 0.265 328 Y C 1.574 177.585 175.900 0.185 0.000 1.111 328 Y CA 0.490 58.730 58.100 0.233 0.000 1.288 328 Y CB 0.511 39.079 38.460 0.180 0.000 1.082 328 Y HN 0.865 nan 8.280 nan 0.000 0.536 329 G N 0.312 109.296 108.800 0.306 0.000 2.758 329 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.686 329 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.686 329 G C 0.658 175.667 174.900 0.182 0.000 1.389 329 G CA -0.436 44.798 45.100 0.223 0.000 0.845 329 G HN 0.456 nan 8.290 nan 0.000 0.572 330 A N 0.057 122.961 122.820 0.141 0.000 2.014 330 A HA 0.596 4.915 4.320 -0.002 0.000 0.218 330 A C 1.810 179.437 177.584 0.072 0.000 1.163 330 A CA 2.428 54.527 52.037 0.103 0.000 0.652 330 A CB -0.262 18.797 19.000 0.098 0.000 0.808 330 A HN 2.627 nan 8.150 nan 0.000 0.449 331 G N -2.644 106.200 108.800 0.073 0.000 2.650 331 G HA2 0.472 4.431 3.960 -0.002 0.000 0.310 331 G HA3 0.472 4.431 3.960 -0.002 0.000 0.310 331 G C 0.004 174.933 174.900 0.049 0.000 1.270 331 G CA -0.111 45.017 45.100 0.047 0.000 0.810 331 G HN 0.772 nan 8.290 nan 0.000 0.493 332 G N -0.971 107.842 108.800 0.021 0.000 2.265 332 G HA2 0.612 4.571 3.960 -0.002 0.000 0.240 332 G HA3 0.612 4.571 3.960 -0.002 0.000 0.240 332 G C 0.777 175.680 174.900 0.005 0.000 1.270 332 G CA 1.347 46.453 45.100 0.010 0.000 0.901 332 G HN 2.094 nan 8.290 nan 0.000 0.507 333 G N 1.851 110.658 108.800 0.011 0.000 2.650 333 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.686 333 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.686 333 G C 0.765 175.672 174.900 0.013 0.000 1.205 333 G CA 0.074 45.169 45.100 -0.009 0.000 0.781 333 G HN 0.717 nan 8.290 nan 0.000 0.648 334 M N 0.138 119.724 119.600 -0.023 0.000 2.108 334 M HA -0.086 4.393 4.480 -0.002 0.000 0.257 334 M C 1.712 178.043 176.300 0.052 0.000 1.071 334 M CA 2.080 57.365 55.300 -0.026 0.000 1.093 334 M CB -0.198 32.326 32.600 -0.127 0.000 1.345 334 M HN 0.756 nan 8.290 nan 0.000 0.403 338 V N 1.844 121.937 119.914 0.298 0.000 2.343 338 V HA -0.233 3.886 4.120 -0.002 0.000 0.247 338 V C 2.776 178.964 176.094 0.158 0.000 1.051 338 V CA 3.134 65.595 62.300 0.268 0.000 1.036 338 V CB -1.054 30.882 31.823 0.188 0.000 0.654 338 V HN 0.816 nan 8.190 nan 0.000 0.451 339 T N -1.140 113.494 114.554 0.134 0.000 2.857 339 T HA -0.020 4.329 4.350 -0.002 0.000 0.266 339 T C 1.951 176.722 174.700 0.118 0.000 1.048 339 T CA 1.237 63.393 62.100 0.094 0.000 1.139 339 T CB -0.376 68.550 68.868 0.096 0.000 0.874 339 T HN 0.450 nan 8.240 nan 0.000 0.455 340 A N 1.143 124.068 122.820 0.176 0.000 1.898 340 A HA 0.108 4.427 4.320 -0.002 0.000 0.216 340 A C 2.024 179.747 177.584 0.231 0.000 1.181 340 A CA 1.176 53.337 52.037 0.207 0.000 0.620 340 A CB -1.130 18.013 19.000 0.239 0.000 0.819 340 A HN 0.430 nan 8.150 nan 0.000 0.442 341 F N 2.249 122.209 119.950 0.017 0.000 2.095 341 F HA -0.197 4.329 4.527 -0.002 0.000 0.298 341 F C 2.792 178.460 175.800 -0.220 0.000 1.104 341 F CA 1.645 59.547 58.000 -0.163 0.000 1.232 341 F CB -0.817 37.933 39.000 -0.415 0.000 0.987 341 F HN 0.346 nan 8.300 nan 0.000 0.475 342 S N -0.124 115.461 115.700 -0.191 0.000 2.469 342 S HA -0.181 4.288 4.470 -0.002 0.000 0.238 342 S C 1.969 176.488 174.600 -0.136 0.000 0.998 342 S CA 1.179 59.215 58.200 -0.273 0.000 0.957 342 S CB -0.964 62.118 63.200 -0.196 0.000 0.764 342 S HN 0.436 nan 8.310 nan 0.000 0.514 343 L N 0.915 122.126 121.223 -0.020 0.000 2.162 343 L HA 0.357 4.696 4.340 -0.002 0.000 0.205 343 L C 2.075 178.984 176.870 0.065 0.000 1.086 343 L CA 1.186 56.058 54.840 0.054 0.000 0.778 343 L CB -0.457 41.685 42.059 0.138 0.000 0.928 343 L HN 0.304 nan 8.230 nan 0.000 0.446 344 L N -0.663 120.595 121.223 0.058 0.000 2.265 344 L HA -0.155 4.184 4.340 -0.002 0.000 0.215 344 L C 1.871 178.706 176.870 -0.058 0.000 1.117 344 L CA 1.011 55.882 54.840 0.053 0.000 0.782 344 L CB -0.526 41.581 42.059 0.080 0.000 0.914 344 L HN 0.449 nan 8.230 nan 0.000 0.441 345 Q N -0.379 119.327 119.800 -0.157 0.000 2.247 345 Q HA 0.186 4.525 4.340 -0.002 0.000 0.211 345 Q C 1.041 176.966 176.000 -0.124 0.000 0.861 345 Q CA -0.171 55.511 55.803 -0.201 0.000 0.949 345 Q CB 0.830 29.341 28.738 -0.378 0.000 1.115 345 Q HN 0.434 nan 8.270 nan 0.000 0.507 346 G N 0.734 109.494 108.800 -0.067 0.000 2.634 346 G HA2 0.087 4.046 3.960 -0.002 0.000 0.255 346 G HA3 0.087 4.046 3.960 -0.002 0.000 0.255 346 G C 0.480 175.298 174.900 -0.137 0.000 1.205 346 G CA -0.290 44.767 45.100 -0.073 0.000 0.884 346 G HN -0.030 nan 8.290 nan 0.000 0.549 347 K N -0.185 120.065 120.400 -0.250 0.000 2.478 347 K HA 0.143 4.462 4.320 -0.002 0.000 0.205 347 K C 1.616 177.871 176.600 -0.576 0.000 1.033 347 K CA -0.118 55.904 56.287 -0.442 0.000 1.091 347 K CB 0.828 33.050 32.500 -0.463 0.000 0.844 347 K HN 0.540 nan 8.250 nan 0.000 0.507 348 E N 0.445 120.319 120.200 -0.544 0.000 2.169 348 E HA -0.224 4.125 4.350 -0.002 0.000 0.202 348 E C 1.354 177.272 176.600 -1.138 0.000 1.016 348 E CA 1.813 57.661 56.400 -0.920 0.000 0.817 348 E CB -0.545 28.291 29.700 -1.441 0.000 0.736 348 E HN 0.519 nan 8.360 nan 0.000 0.462 349 F N -0.142 119.286 119.950 -0.870 0.000 2.502 349 F HA 0.100 4.627 4.527 -0.002 0.000 0.298 349 F C 1.462 177.122 175.800 -0.234 0.000 1.111 349 F CA 0.618 58.313 58.000 -0.507 0.000 1.445 349 F CB -0.168 38.758 39.000 -0.124 0.000 1.081 349 F HN -0.108 nan 8.300 nan 0.000 0.558 350 E N 0.153 119.752 120.200 -1.000 0.000 2.489 350 E HA -0.030 4.319 4.350 -0.002 0.000 0.193 350 E C -0.077 176.313 176.600 -0.349 0.000 1.057 350 E CA 0.138 56.138 56.400 -0.667 0.000 0.866 350 E CB -0.132 29.108 29.700 -0.768 0.000 0.916 350 E HN 0.331 nan 8.360 nan 0.000 0.500 351 N N 1.865 120.368 118.700 -0.328 0.000 2.776 351 N HA -0.149 4.590 4.740 -0.002 0.000 0.249 351 N C -0.900 174.516 175.510 -0.157 0.000 1.111 351 N CA 0.627 53.568 53.050 -0.182 0.000 0.711 351 N CB -1.029 37.414 38.487 -0.072 0.000 1.065 351 N HN 0.268 nan 8.380 nan 0.000 0.556 352 Q N 0.602 120.268 119.800 -0.222 0.000 2.244 352 Q HA 0.048 4.387 4.340 -0.002 0.000 0.276 352 Q C 1.436 177.387 176.000 -0.082 0.000 1.122 352 Q CA 0.164 55.873 55.803 -0.156 0.000 0.920 352 Q CB 1.073 29.692 28.738 -0.198 0.000 1.186 352 Q HN 0.234 nan 8.270 nan 0.000 0.393 353 V N 4.215 124.124 119.914 -0.008 0.000 2.626 353 V HA -0.199 3.920 4.120 -0.002 0.000 0.252 353 V C 1.271 177.451 176.094 0.143 0.000 1.067 353 V CA 1.748 64.100 62.300 0.086 0.000 1.081 353 V CB 0.054 31.951 31.823 0.123 0.000 0.686 353 V HN 0.693 nan 8.190 nan 0.000 0.468 354 L N -0.992 120.252 121.223 0.034 0.000 2.678 354 L HA 0.462 4.801 4.340 -0.002 0.000 0.211 354 L C 0.837 177.589 176.870 -0.196 0.000 1.043 354 L CA 0.698 55.486 54.840 -0.086 0.000 0.881 354 L CB -0.053 41.925 42.059 -0.135 0.000 1.361 354 L HN 0.158 nan 8.230 nan 0.000 0.484 355 N N 1.202 119.807 118.700 -0.158 0.000 3.254 355 N HA 0.088 4.827 4.740 -0.002 0.000 0.308 355 N C 0.573 175.990 175.510 -0.156 0.000 1.281 355 N CA 0.135 53.083 53.050 -0.170 0.000 1.212 355 N CB 0.437 38.852 38.487 -0.120 0.000 1.478 355 N HN 0.411 nan 8.380 nan 0.000 0.548 356 K N 0.300 120.582 120.400 -0.197 0.000 2.044 356 K HA 0.105 4.424 4.320 -0.002 0.000 0.204 356 K C 1.130 177.681 176.600 -0.083 0.000 1.049 356 K CA 0.813 56.994 56.287 -0.177 0.000 0.945 356 K CB 0.405 32.786 32.500 -0.198 0.000 0.724 356 K HN 0.072 nan 8.250 nan 0.000 0.440 357 R N 0.090 120.505 120.500 -0.141 0.000 2.476 357 R HA 0.198 4.537 4.340 -0.002 0.000 0.276 357 R C 0.083 176.115 176.300 -0.446 0.000 0.941 357 R CA 0.215 56.223 56.100 -0.154 0.000 1.088 357 R CB 0.995 31.168 30.300 -0.212 0.000 1.216 357 R HN 0.218 nan 8.270 nan 0.000 0.533 358 S N -1.489 113.907 115.700 -0.507 0.000 2.688 358 S HA 0.204 4.673 4.470 -0.002 0.000 0.269 358 S C -0.791 173.606 174.600 -0.338 0.000 1.060 358 S CA -0.868 56.933 58.200 -0.665 0.000 0.844 358 S CB 0.916 63.828 63.200 -0.480 0.000 1.095 358 S HN -0.035 nan 8.310 nan 0.000 0.466 359 V N -0.252 119.507 119.914 -0.257 0.000 2.394 359 V HA 0.666 4.785 4.120 -0.002 0.000 0.282 359 V C 0.336 176.384 176.094 -0.076 0.000 1.031 359 V CA -0.895 61.332 62.300 -0.123 0.000 0.881 359 V CB 1.079 32.869 31.823 -0.056 0.000 0.982 359 V HN 0.922 nan 8.190 nan 0.000 0.451 360 M N 6.872 126.383 119.600 -0.148 0.000 2.238 360 M HA 0.331 4.810 4.480 -0.002 0.000 0.350 360 M C -2.019 174.166 176.300 -0.191 0.000 1.321 360 M CA -1.514 53.661 55.300 -0.209 0.000 1.097 360 M CB 0.720 33.147 32.600 -0.288 0.000 1.713 360 M HN 0.581 nan 8.290 nan 0.000 0.455 361 P HA 0.375 nan 4.420 nan 0.000 0.276 361 P C -2.791 174.234 177.300 -0.459 0.000 1.261 361 P CA -1.498 61.156 63.100 -0.743 0.000 0.800 361 P CB -0.595 30.234 31.700 -1.452 0.000 1.066 362 P HA 0.106 nan 4.420 nan 0.000 0.271 362 P C 0.868 177.727 177.300 -0.734 0.000 1.218 362 P CA -0.072 62.597 63.100 -0.719 0.000 0.780 362 P CB 0.360 31.224 31.700 -1.393 0.000 0.901 363 K N 3.676 123.767 120.400 -0.515 0.000 2.127 363 K HA -0.244 4.075 4.320 -0.002 0.000 0.208 363 K C 1.707 178.075 176.600 -0.385 0.000 1.047 363 K CA 2.067 58.002 56.287 -0.587 0.000 0.927 363 K CB -1.379 30.664 32.500 -0.762 0.000 0.716 363 K HN 0.540 nan 8.250 nan 0.000 0.450 364 Y N -1.026 119.040 120.300 -0.390 0.000 2.384 364 Y HA -0.044 4.505 4.550 -0.001 0.000 0.289 364 Y C 1.621 177.403 175.900 -0.197 0.000 1.152 364 Y CA 0.674 58.570 58.100 -0.340 0.000 1.258 364 Y CB -1.158 37.026 38.460 -0.459 0.000 0.979 364 Y HN -0.108 nan 8.280 nan 0.000 0.549 365 V N 0.015 119.749 119.914 -0.300 0.000 2.720 365 V HA -0.242 3.877 4.120 -0.002 0.000 0.256 365 V C 1.271 177.308 176.094 -0.096 0.000 1.082 365 V CA 1.427 63.580 62.300 -0.244 0.000 1.101 365 V CB -0.984 30.363 31.823 -0.793 0.000 0.693 365 V HN 0.354 nan 8.190 nan 0.000 0.479 366 F N 0.576 120.530 119.950 0.006 0.000 2.693 366 F HA 0.424 4.950 4.527 -0.002 0.000 0.303 366 F C 1.377 177.154 175.800 -0.038 0.000 1.143 366 F CA -0.134 57.872 58.000 0.010 0.000 1.389 366 F CB -0.543 38.391 39.000 -0.110 0.000 1.060 366 F HN 0.124 nan 8.300 nan 0.000 0.535 367 G N -0.878 108.006 108.800 0.140 0.000 2.521 367 G HA2 0.341 4.300 3.960 -0.002 0.000 0.323 367 G HA3 0.341 4.300 3.960 -0.002 0.000 0.323 367 G C -1.391 173.630 174.900 0.201 0.000 1.211 367 G CA -0.504 44.612 45.100 0.025 0.000 0.979 367 G HN 0.017 nan 8.290 nan 0.000 0.490 368 F N 0.695 120.722 119.950 0.129 0.000 2.424 368 F HA 0.659 5.185 4.527 -0.002 0.000 0.356 368 F C -0.987 174.559 175.800 -0.424 0.000 1.110 368 F CA -1.713 56.280 58.000 -0.012 0.000 1.161 368 F CB 0.330 39.407 39.000 0.128 0.000 1.115 368 F HN 0.162 nan 8.300 nan 0.000 0.507 369 F N 3.873 123.232 119.950 -0.984 0.000 2.458 369 F HA 0.447 4.973 4.527 -0.002 0.000 0.330 369 F C -0.188 175.033 175.800 -0.965 0.000 1.082 369 F CA -0.827 56.665 58.000 -0.846 0.000 0.995 369 F CB 1.615 40.305 39.000 -0.516 0.000 1.170 369 F HN 0.355 nan 8.300 nan 0.000 0.478 370 Q N 1.348 121.030 119.800 -0.197 0.000 2.331 370 Q HA 0.646 4.985 4.340 -0.002 0.000 0.267 370 Q C -0.615 175.458 176.000 0.122 0.000 1.006 370 Q CA -0.456 55.349 55.803 0.003 0.000 0.818 370 Q CB 1.919 30.839 28.738 0.303 0.000 1.276 370 Q HN 0.813 nan 8.270 nan 0.000 0.450 371 G N 1.245 110.119 108.800 0.123 0.000 2.473 371 G HA2 0.730 4.689 3.960 -0.002 0.000 0.321 371 G HA3 0.730 4.689 3.960 -0.002 0.000 0.321 371 G C -1.441 173.772 174.900 0.522 0.000 1.200 371 G CA -0.621 44.592 45.100 0.189 0.000 0.963 371 G HN 0.523 nan 8.290 nan 0.000 0.483 372 V N 1.076 121.260 119.914 0.450 0.000 2.711 372 V HA 0.352 4.471 4.120 -0.002 0.000 0.304 372 V C -1.462 174.820 176.094 0.314 0.000 1.097 372 V CA -0.823 61.598 62.300 0.200 0.000 0.906 372 V CB 1.851 33.752 31.823 0.130 0.000 1.015 372 V HN 0.694 nan 8.190 nan 0.000 0.427 373 F N 4.079 124.007 119.950 -0.038 0.000 2.350 373 F HA 0.746 5.272 4.527 -0.001 0.000 0.365 373 F C 0.845 176.549 175.800 -0.159 0.000 1.122 373 F CA -0.304 57.708 58.000 0.020 0.000 1.139 373 F CB 0.782 39.873 39.000 0.151 0.000 1.220 373 F HN 0.814 nan 8.300 nan 0.000 0.499 374 G N 2.783 111.529 108.800 -0.090 0.000 2.244 374 G HA2 -0.065 3.894 3.960 -0.002 0.000 0.163 374 G HA3 -0.065 3.894 3.960 -0.002 0.000 0.163 374 G C -0.197 174.664 174.900 -0.066 0.000 1.064 374 G CA -0.264 44.687 45.100 -0.248 0.000 0.757 374 G HN 0.947 nan 8.290 nan 0.000 0.484 375 T N -1.750 112.851 114.554 0.079 0.000 2.918 375 T HA 0.704 5.053 4.350 -0.002 0.000 0.283 375 T C 1.206 176.024 174.700 0.197 0.000 1.001 375 T CA 0.502 62.688 62.100 0.144 0.000 1.041 375 T CB 1.886 70.917 68.868 0.271 0.000 1.028 375 T HN 0.970 nan 8.240 nan 0.000 0.511 376 S N -0.560 115.163 115.700 0.040 0.000 2.733 376 S HA 0.423 4.893 4.470 -0.002 0.000 0.247 376 S C 0.410 174.801 174.600 -0.348 0.000 1.043 376 S CA -0.030 58.161 58.200 -0.015 0.000 1.066 376 S CB -0.248 62.923 63.200 -0.049 0.000 1.045 376 S HN 1.365 nan 8.310 nan 0.000 0.586 377 S N 0.166 115.408 115.700 -0.762 0.000 2.615 377 S HA 0.561 5.030 4.470 -0.002 0.000 0.268 377 S C 0.072 174.001 174.600 -1.118 0.000 1.146 377 S CA -0.621 56.843 58.200 -1.228 0.000 0.818 377 S CB 0.797 63.676 63.200 -0.535 0.000 1.111 377 S HN 0.176 nan 8.310 nan 0.000 0.465 378 L N 1.110 121.756 121.223 -0.961 0.000 1.973 378 L HA 0.441 4.780 4.340 -0.002 0.000 0.208 378 L C 0.305 176.811 176.870 -0.605 0.000 1.073 378 L CA 1.603 56.061 54.840 -0.636 0.000 0.746 378 L CB -0.733 41.003 42.059 -0.539 0.000 0.891 378 L HN 0.723 nan 8.230 nan 0.000 0.433 379 L N -0.693 120.237 121.223 -0.489 0.000 2.352 379 L HA 0.340 4.679 4.340 -0.002 0.000 0.269 379 L C 1.612 178.316 176.870 -0.278 0.000 1.034 379 L CA -0.707 53.891 54.840 -0.403 0.000 0.806 379 L CB 1.165 43.028 42.059 -0.327 0.000 1.244 379 L HN 0.044 nan 8.230 nan 0.000 0.447 380 R N 1.195 121.566 120.500 -0.216 0.000 2.081 380 R HA -0.104 4.235 4.340 -0.002 0.000 0.235 380 R C 2.042 178.229 176.300 -0.188 0.000 1.131 380 R CA 1.480 57.480 56.100 -0.166 0.000 0.960 380 R CB -0.382 29.849 30.300 -0.116 0.000 0.856 380 R HN 0.836 nan 8.270 nan 0.000 0.436 381 A N 0.639 123.300 122.820 -0.264 0.000 2.131 381 A HA -0.153 4.166 4.320 -0.002 0.000 0.220 381 A C 0.901 178.229 177.584 -0.425 0.000 1.158 381 A CA 1.306 53.132 52.037 -0.353 0.000 0.665 381 A CB -0.320 18.411 19.000 -0.448 0.000 0.795 381 A HN 0.329 nan 8.150 nan 0.000 0.460 382 H N -2.124 116.873 119.070 -0.121 0.000 2.592 382 H HA 0.272 4.827 4.556 -0.002 0.000 0.279 382 H C 0.173 175.411 175.328 -0.150 0.000 1.089 382 H CA -0.332 55.641 56.048 -0.125 0.000 1.150 382 H CB -0.153 29.531 29.762 -0.130 0.000 1.575 382 H HN 0.434 nan 8.280 nan 0.000 0.547 383 M N 4.131 123.685 119.600 -0.077 0.000 2.292 383 M HA 0.149 4.628 4.480 -0.002 0.000 0.342 383 M C -2.137 174.126 176.300 -0.061 0.000 1.538 383 M CA -1.294 53.946 55.300 -0.100 0.000 1.163 383 M CB 0.629 33.161 32.600 -0.113 0.000 1.823 383 M HN -0.078 nan 8.290 nan 0.000 0.462 384 P HA 0.123 nan 4.420 nan 0.000 0.269 384 P C -1.148 176.128 177.300 -0.039 0.000 1.215 384 P CA -0.268 62.808 63.100 -0.040 0.000 0.780 384 P CB 0.359 32.035 31.700 -0.041 0.000 0.898 385 A N 1.572 124.375 122.820 -0.029 0.000 2.409 385 A HA 0.584 4.903 4.320 -0.002 0.000 0.262 385 A C 0.622 178.193 177.584 -0.022 0.000 1.113 385 A CA 0.468 52.492 52.037 -0.022 0.000 0.790 385 A CB -0.474 18.517 19.000 -0.016 0.000 1.046 385 A HN 0.768 nan 8.150 nan 0.000 0.496 386 G N 1.396 110.188 108.800 -0.014 0.000 2.716 386 G HA2 0.432 4.391 3.960 -0.002 0.000 0.299 386 G HA3 0.432 4.391 3.960 -0.002 0.000 0.299 386 G C -0.802 174.114 174.900 0.027 0.000 1.450 386 G CA -0.660 44.435 45.100 -0.010 0.000 0.968 386 G HN 0.930 nan 8.290 nan 0.000 0.566 387 E N 1.361 121.606 120.200 0.075 0.000 2.652 387 E HA 0.000 4.349 4.350 -0.002 0.000 0.255 387 E C 1.037 177.754 176.600 0.195 0.000 0.952 387 E CA 0.833 57.325 56.400 0.153 0.000 0.947 387 E CB 0.161 30.017 29.700 0.259 0.000 0.912 387 E HN 0.604 nan 8.360 nan 0.000 0.489 388 N N 2.689 121.475 118.700 0.145 0.000 2.863 388 N HA -0.218 4.521 4.740 -0.002 0.000 0.245 388 N C -1.083 174.481 175.510 0.090 0.000 1.001 388 N CA 1.005 54.144 53.050 0.147 0.000 0.901 388 N CB -1.215 37.437 38.487 0.275 0.000 1.124 388 N HN 0.541 nan 8.380 nan 0.000 0.582 389 N N 0.729 119.453 118.700 0.039 0.000 2.353 389 N HA 0.213 4.952 4.740 -0.002 0.000 0.248 389 N C 0.065 175.576 175.510 0.002 0.000 1.240 389 N CA 0.544 53.591 53.050 -0.004 0.000 0.862 389 N CB 0.395 38.864 38.487 -0.030 0.000 1.086 389 N HN 0.500 nan 8.380 nan 0.000 0.453 390 I N -0.037 120.531 120.570 -0.004 0.000 2.686 390 I HA 0.289 4.458 4.170 -0.002 0.000 0.295 390 I C -0.312 175.787 176.117 -0.029 0.000 1.114 390 I CA -0.571 60.731 61.300 0.004 0.000 1.038 390 I CB 1.476 39.510 38.000 0.057 0.000 1.238 390 I HN 0.585 nan 8.210 nan 0.000 0.420 391 S N 4.835 120.502 115.700 -0.056 0.000 2.654 391 S HA 0.355 4.824 4.470 -0.002 0.000 0.283 391 S C 0.872 175.430 174.600 -0.071 0.000 1.180 391 S CA -0.695 57.429 58.200 -0.127 0.000 1.021 391 S CB 1.890 64.989 63.200 -0.169 0.000 1.018 391 S HN 0.480 nan 8.310 nan 0.000 0.532 392 V N 1.681 121.525 119.914 -0.118 0.000 2.343 392 V HA -0.162 3.957 4.120 -0.002 0.000 0.247 392 V C 2.771 178.872 176.094 0.011 0.000 1.051 392 V CA 2.369 64.666 62.300 -0.004 0.000 1.036 392 V CB -1.243 30.569 31.823 -0.019 0.000 0.654 392 V HN 1.081 nan 8.190 nan 0.000 0.451 393 E N 0.320 120.425 120.200 -0.159 0.000 2.097 393 E HA -0.330 4.019 4.350 -0.002 0.000 0.196 393 E C 2.229 178.872 176.600 0.072 0.000 1.000 393 E CA 1.928 58.303 56.400 -0.043 0.000 0.804 393 E CB -0.150 29.430 29.700 -0.200 0.000 0.740 393 E HN 0.758 nan 8.360 nan 0.000 0.454 394 E N 0.106 120.307 120.200 0.002 0.000 2.106 394 E HA -0.185 4.165 4.350 -0.002 0.000 0.192 394 E C 2.104 178.677 176.600 -0.044 0.000 0.984 394 E CA 1.208 57.598 56.400 -0.017 0.000 0.806 394 E CB -0.092 29.601 29.700 -0.011 0.000 0.750 394 E HN 0.374 nan 8.360 nan 0.000 0.458 395 I N 0.331 120.933 120.570 0.053 0.000 2.142 395 I HA -0.269 3.900 4.170 -0.002 0.000 0.240 395 I C 2.400 178.500 176.117 -0.029 0.000 1.078 395 I CA 0.777 62.133 61.300 0.094 0.000 1.343 395 I CB -0.281 37.866 38.000 0.245 0.000 1.046 395 I HN 0.039 nan 8.210 nan 0.000 0.405 396 V N 0.773 120.772 119.914 0.142 0.000 2.278 396 V HA -0.352 3.767 4.120 -0.002 0.000 0.251 396 V C 2.405 178.508 176.094 0.015 0.000 1.062 396 V CA 2.236 64.658 62.300 0.203 0.000 1.038 396 V CB -0.807 31.275 31.823 0.431 0.000 0.646 396 V HN 0.455 nan 8.190 nan 0.000 0.447 397 E N 0.190 120.370 120.200 -0.034 0.000 2.038 397 E HA -0.177 4.172 4.350 -0.002 0.000 0.195 397 E C 2.358 178.754 176.600 -0.339 0.000 1.000 397 E CA 1.378 57.707 56.400 -0.119 0.000 0.803 397 E CB -0.656 28.991 29.700 -0.089 0.000 0.750 397 E HN 0.646 nan 8.360 nan 0.000 0.448 398 G N 0.108 108.459 108.800 -0.749 0.000 2.440 398 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.218 398 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.218 398 G C 1.116 175.319 174.900 -1.161 0.000 1.154 398 G CA 0.988 45.154 45.100 -1.558 0.000 0.767 398 G HN 0.171 nan 8.290 nan 0.000 0.552 399 Y N 0.769 120.601 120.300 -0.779 0.000 2.133 399 Y HA -0.070 4.479 4.550 -0.001 0.000 0.287 399 Y C 3.244 179.120 175.900 -0.040 0.000 1.134 399 Y CA 1.469 59.365 58.100 -0.340 0.000 1.133 399 Y CB -0.656 37.332 38.460 -0.787 0.000 0.987 399 Y HN 0.231 nan 8.280 nan 0.000 0.502 400 Q N -0.145 119.705 119.800 0.084 0.000 2.020 400 Q HA -0.201 4.138 4.340 -0.002 0.000 0.202 400 Q C 1.854 177.896 176.000 0.069 0.000 0.982 400 Q CA 1.493 57.367 55.803 0.118 0.000 0.838 400 Q CB -0.369 28.430 28.738 0.101 0.000 0.899 400 Q HN 0.487 nan 8.270 nan 0.000 0.423 401 N N 0.879 119.577 118.700 -0.003 0.000 2.289 401 N HA -0.096 4.643 4.740 -0.002 0.000 0.184 401 N C 0.858 176.379 175.510 0.018 0.000 1.016 401 N CA 0.835 53.877 53.050 -0.012 0.000 0.872 401 N CB -0.209 38.242 38.487 -0.059 0.000 0.973 401 N HN 0.275 nan 8.380 nan 0.000 0.433 402 N N 1.029 119.773 118.700 0.073 0.000 2.268 402 N HA -0.024 4.715 4.740 -0.002 0.000 0.204 402 N C -0.335 175.220 175.510 0.074 0.000 1.124 402 N CA -0.029 53.093 53.050 0.120 0.000 0.838 402 N CB -0.016 38.629 38.487 0.264 0.000 0.994 402 N HN 0.122 nan 8.380 nan 0.000 0.489 403 N N 0.541 119.294 118.700 0.088 0.000 2.738 403 N HA -0.217 4.522 4.740 -0.002 0.000 0.249 403 N C -1.276 174.220 175.510 -0.022 0.000 1.047 403 N CA 0.263 53.333 53.050 0.034 0.000 0.707 403 N CB -1.846 36.624 38.487 -0.029 0.000 0.937 403 N HN 0.122 nan 8.380 nan 0.000 0.545 404 F N 0.294 120.306 119.950 0.102 0.000 2.399 404 F HA 0.368 4.894 4.527 -0.002 0.000 0.342 404 F C -1.367 174.461 175.800 0.047 0.000 1.106 404 F CA -1.763 56.302 58.000 0.108 0.000 1.196 404 F CB 0.835 39.997 39.000 0.269 0.000 1.163 404 F HN 0.064 nan 8.300 nan 0.000 0.547 405 P HA 0.061 nan 4.420 nan 0.000 0.276 405 P C -1.083 176.214 177.300 -0.006 0.000 1.264 405 P CA 0.263 63.210 63.100 -0.255 0.000 0.769 405 P CB 0.107 31.222 31.700 -0.976 0.000 0.840 406 F N 3.230 123.163 119.950 -0.027 0.000 2.562 406 F HA 0.336 4.862 4.527 -0.001 0.000 0.319 406 F C 0.917 176.687 175.800 -0.049 0.000 1.154 406 F CA -0.904 57.099 58.000 0.006 0.000 0.931 406 F CB 2.123 41.120 39.000 -0.003 0.000 1.198 406 F HN 0.099 nan 8.300 nan 0.000 0.444 407 E N 3.143 122.841 120.200 -0.837 0.000 2.140 407 E HA 0.454 4.803 4.350 -0.002 0.000 0.191 407 E C 0.807 176.773 176.600 -1.056 0.000 0.973 407 E CA 1.255 57.142 56.400 -0.854 0.000 0.829 407 E CB 0.259 29.330 29.700 -1.049 0.000 0.781 407 E HN 0.976 nan 8.360 nan 0.000 0.466 408 G N -1.461 106.398 108.800 -1.569 0.000 2.356 408 G HA2 0.200 4.159 3.960 -0.002 0.000 0.266 408 G HA3 0.200 4.159 3.960 -0.002 0.000 0.266 408 G C -1.659 173.060 174.900 -0.303 0.000 1.312 408 G CA -0.585 44.035 45.100 -0.800 0.000 0.922 408 G HN 0.048 nan 8.290 nan 0.000 0.480 409 L N 0.158 121.490 121.223 0.181 0.000 2.319 409 L HA 0.833 5.172 4.340 -0.002 0.000 0.267 409 L C 0.479 177.461 176.870 0.187 0.000 1.011 409 L CA -0.810 54.189 54.840 0.264 0.000 0.818 409 L CB 2.332 44.571 42.059 0.300 0.000 1.316 409 L HN 1.056 nan 8.230 nan 0.000 0.432 410 A N 1.706 124.541 122.820 0.025 0.000 2.394 410 A HA 0.643 4.962 4.320 -0.002 0.000 0.333 410 A C -0.556 177.073 177.584 0.075 0.000 1.397 410 A CA -0.535 51.385 52.037 -0.195 0.000 0.884 410 A CB 0.191 18.666 19.000 -0.874 0.000 1.147 410 A HN 0.383 nan 8.150 nan 0.000 0.505 411 V N 3.028 123.067 119.914 0.208 0.000 2.470 411 V HA 0.114 4.233 4.120 -0.002 0.000 0.276 411 V C 0.598 176.834 176.094 0.236 0.000 1.040 411 V CA -0.475 61.950 62.300 0.209 0.000 1.008 411 V CB 0.569 32.466 31.823 0.123 0.000 0.990 411 V HN 0.852 nan 8.190 nan 0.000 0.477 412 D N 2.602 123.122 120.400 0.200 0.000 2.440 412 D HA 0.154 4.793 4.640 -0.002 0.000 0.269 412 D C 1.387 177.554 176.300 -0.223 0.000 1.249 412 D CA 0.029 54.032 54.000 0.006 0.000 1.055 412 D CB 1.776 42.662 40.800 0.144 0.000 1.104 412 D HN 0.407 nan 8.370 nan 0.000 0.561 413 V N -0.962 118.737 119.914 -0.358 0.000 3.186 413 V HA -0.148 3.971 4.120 -0.002 0.000 0.270 413 V C 1.246 177.196 176.094 -0.240 0.000 1.149 413 V CA 1.295 63.390 62.300 -0.343 0.000 1.160 413 V CB -0.534 31.007 31.823 -0.469 0.000 0.758 413 V HN 0.305 nan 8.190 nan 0.000 0.516 414 D N 0.671 120.981 120.400 -0.150 0.000 2.158 414 D HA -0.251 4.388 4.640 -0.002 0.000 0.197 414 D C 2.002 178.043 176.300 -0.432 0.000 0.995 414 D CA 2.164 56.084 54.000 -0.133 0.000 0.846 414 D CB -0.227 40.588 40.800 0.025 0.000 0.941 414 D HN 0.590 nan 8.370 nan 0.000 0.456 415 M N 0.284 119.400 119.600 -0.807 0.000 2.229 415 M HA -0.130 4.350 4.480 -0.002 0.000 0.264 415 M C 0.564 176.558 176.300 -0.509 0.000 1.063 415 M CA 0.927 55.479 55.300 -1.247 0.000 1.114 415 M CB 0.154 32.143 32.600 -1.019 0.000 1.387 415 M HN -0.129 nan 8.290 nan 0.000 0.420 416 Q N 1.405 121.009 119.800 -0.326 0.000 2.535 416 Q HA -0.040 4.299 4.340 -0.002 0.000 0.228 416 Q C -0.412 175.509 176.000 -0.132 0.000 1.062 416 Q CA 0.056 55.741 55.803 -0.196 0.000 0.967 416 Q CB 0.316 28.934 28.738 -0.201 0.000 1.273 416 Q HN 0.151 nan 8.270 nan 0.000 0.554 417 D N 1.580 121.912 120.400 -0.113 0.000 2.422 417 D HA -0.016 4.623 4.640 -0.002 0.000 0.227 417 D C -0.475 175.746 176.300 -0.132 0.000 1.190 417 D CA 0.037 53.981 54.000 -0.094 0.000 0.905 417 D CB -0.359 40.390 40.800 -0.086 0.000 1.034 417 D HN 0.476 nan 8.370 nan 0.000 0.507 418 N N 4.315 122.956 118.700 -0.098 0.000 2.725 418 N HA -0.241 4.498 4.740 -0.002 0.000 0.251 418 N C 0.088 175.528 175.510 -0.117 0.000 1.031 418 N CA 0.857 53.853 53.050 -0.091 0.000 0.720 418 N CB -1.004 37.435 38.487 -0.079 0.000 0.930 418 N HN 0.748 nan 8.380 nan 0.000 0.543 419 L N -3.257 117.892 121.223 -0.124 0.000 4.089 419 L HA -0.316 4.023 4.340 -0.002 0.000 0.408 419 L C 0.256 177.024 176.870 -0.170 0.000 1.184 419 L CA 0.947 55.719 54.840 -0.114 0.000 0.947 419 L CB -1.626 40.415 42.059 -0.031 0.000 2.066 419 L HN 0.306 nan 8.230 nan 0.000 0.851 420 R N 0.725 121.050 120.500 -0.291 0.000 2.235 420 R HA 0.460 4.799 4.340 -0.002 0.000 0.338 420 R C 0.215 176.360 176.300 -0.258 0.000 1.087 420 R CA -0.416 55.351 56.100 -0.556 0.000 0.948 420 R CB 1.548 31.220 30.300 -1.047 0.000 1.099 420 R HN 0.087 nan 8.270 nan 0.000 0.483 421 V N 5.118 125.012 119.914 -0.032 0.000 2.694 421 V HA -0.080 4.039 4.120 -0.002 0.000 0.306 421 V C 0.274 176.393 176.094 0.041 0.000 1.054 421 V CA 1.103 63.340 62.300 -0.104 0.000 1.161 421 V CB -0.422 31.319 31.823 -0.137 0.000 0.916 421 V HN 0.930 nan 8.190 nan 0.000 0.490 422 F N 2.057 121.945 119.950 -0.103 0.000 2.411 422 F HA -0.160 4.366 4.527 -0.002 0.000 0.393 422 F C 0.688 176.460 175.800 -0.046 0.000 0.576 422 F CA 0.949 58.859 58.000 -0.150 0.000 1.609 422 F CB -2.270 36.594 39.000 -0.227 0.000 2.186 422 F HN 0.802 nan 8.300 nan 0.000 0.274 423 T N -1.886 112.721 114.554 0.089 0.000 2.930 423 T HA 0.817 5.166 4.350 -0.002 0.000 0.290 423 T C 0.024 174.745 174.700 0.034 0.000 1.052 423 T CA 0.053 62.200 62.100 0.078 0.000 1.017 423 T CB 2.901 71.780 68.868 0.019 0.000 1.137 423 T HN 0.385 nan 8.240 nan 0.000 0.511 424 T N -1.178 113.438 114.554 0.104 0.000 2.916 424 T HA 0.732 5.081 4.350 -0.002 0.000 0.292 424 T C -0.676 174.113 174.700 0.148 0.000 1.064 424 T CA -1.122 61.046 62.100 0.113 0.000 1.011 424 T CB 1.692 70.713 68.868 0.254 0.000 1.152 424 T HN 1.063 nan 8.240 nan 0.000 0.510 425 K N 0.039 120.534 120.400 0.157 0.000 2.221 425 K HA 0.675 4.994 4.320 -0.002 0.000 0.243 425 K C 1.447 178.214 176.600 0.278 0.000 0.968 425 K CA -0.853 55.531 56.287 0.160 0.000 0.846 425 K CB 1.110 33.672 32.500 0.103 0.000 1.141 425 K HN 0.648 nan 8.250 nan 0.000 0.434 426 G N 1.432 110.307 108.800 0.126 0.000 2.503 426 G HA2 -0.306 3.653 3.960 -0.002 0.000 0.221 426 G HA3 -0.306 3.653 3.960 -0.002 0.000 0.221 426 G C 0.906 175.874 174.900 0.114 0.000 1.131 426 G CA 1.027 46.166 45.100 0.065 0.000 0.756 426 G HN 0.823 nan 8.290 nan 0.000 0.572 427 E N -0.251 119.993 120.200 0.073 0.000 2.267 427 E HA -0.043 4.306 4.350 -0.002 0.000 0.197 427 E C 1.401 177.902 176.600 -0.164 0.000 0.998 427 E CA 0.561 56.926 56.400 -0.058 0.000 0.830 427 E CB -0.254 29.385 29.700 -0.102 0.000 0.751 427 E HN 0.578 nan 8.360 nan 0.000 0.491 428 F N -1.205 118.758 119.950 0.021 0.000 2.664 428 F HA 0.188 4.715 4.527 -0.001 0.000 0.301 428 F C -0.120 175.530 175.800 -0.251 0.000 1.126 428 F CA -0.253 57.668 58.000 -0.132 0.000 1.373 428 F CB 0.206 39.087 39.000 -0.198 0.000 1.042 428 F HN -0.091 nan 8.300 nan 0.000 0.535 429 W N -0.462 120.804 121.300 -0.057 0.000 2.719 429 W HA 0.313 4.972 4.660 -0.002 0.000 0.352 429 W C 1.659 178.135 176.519 -0.070 0.000 1.085 429 W CA -0.644 56.668 57.345 -0.056 0.000 1.187 429 W CB 0.734 30.174 29.460 -0.032 0.000 1.417 429 W HN -0.185 nan 8.180 nan 0.000 0.557 430 T N -1.991 112.687 114.554 0.206 0.000 2.777 430 T HA -0.107 4.242 4.350 -0.002 0.000 0.266 430 T C 1.419 176.257 174.700 0.230 0.000 1.040 430 T CA 1.440 63.635 62.100 0.160 0.000 1.141 430 T CB -0.461 68.517 68.868 0.184 0.000 0.868 430 T HN 0.448 nan 8.240 nan 0.000 0.444 431 A N 1.016 123.949 122.820 0.188 0.000 2.337 431 A HA 0.379 4.698 4.320 -0.002 0.000 0.227 431 A C 1.117 178.647 177.584 -0.091 0.000 1.259 431 A CA 0.249 52.348 52.037 0.103 0.000 0.870 431 A CB -0.894 18.153 19.000 0.078 0.000 0.927 431 A HN 0.522 nan 8.150 nan 0.000 0.497 432 N N -0.437 118.144 118.700 -0.197 0.000 2.776 432 N HA -0.171 4.568 4.740 -0.002 0.000 0.250 432 N C -0.145 175.233 175.510 -0.219 0.000 1.112 432 N CA 1.505 54.312 53.050 -0.405 0.000 0.733 432 N CB -1.182 36.736 38.487 -0.948 0.000 1.097 432 N HN 0.906 nan 8.380 nan 0.000 0.558 433 R N -2.394 117.996 120.500 -0.182 0.000 2.707 433 R HA 0.621 4.960 4.340 -0.002 0.000 0.272 433 R C -0.826 175.087 176.300 -0.645 0.000 1.011 433 R CA -0.950 54.979 56.100 -0.284 0.000 0.893 433 R CB 0.944 31.106 30.300 -0.231 0.000 1.233 433 R HN -0.139 nan 8.270 nan 0.000 0.464 434 V N 2.008 121.496 119.914 -0.709 0.000 2.470 434 V HA 0.384 4.503 4.120 -0.002 0.000 0.276 434 V C 0.797 176.240 176.094 -1.086 0.000 1.040 434 V CA 0.558 62.149 62.300 -1.182 0.000 1.008 434 V CB 0.846 32.406 31.823 -0.438 0.000 0.990 434 V HN 0.895 nan 8.190 nan 0.000 0.477 435 G N 2.680 110.406 108.800 -1.790 0.000 2.552 435 G HA2 0.509 4.469 3.960 -0.002 0.000 0.324 435 G HA3 0.509 4.469 3.960 -0.002 0.000 0.324 435 G C 0.696 175.393 174.900 -0.338 0.000 1.217 435 G CA 0.218 44.812 45.100 -0.843 0.000 0.989 435 G HN 0.713 nan 8.290 nan 0.000 0.490 436 T N -2.969 111.553 114.554 -0.054 0.000 3.107 436 T HA 0.487 4.836 4.350 -0.002 0.000 0.249 436 T C 1.029 175.855 174.700 0.211 0.000 1.096 436 T CA 0.649 62.805 62.100 0.093 0.000 1.012 436 T CB -0.162 68.736 68.868 0.049 0.000 0.977 436 T HN 2.181 nan 8.240 nan 0.000 0.527 437 G N -0.471 108.506 108.800 0.295 0.000 2.640 437 G HA2 0.438 4.397 3.960 -0.002 0.000 0.686 437 G HA3 0.438 4.397 3.960 -0.002 0.000 0.686 437 G C 0.450 175.495 174.900 0.241 0.000 1.229 437 G CA -0.278 45.029 45.100 0.344 0.000 0.796 437 G HN 1.394 nan 8.290 nan 0.000 0.654 438 G N -0.121 108.824 108.800 0.242 0.000 2.168 438 G HA2 0.000 3.959 3.960 -0.002 0.000 0.257 438 G HA3 0.000 3.959 3.960 -0.002 0.000 0.257 438 G C 0.252 175.246 174.900 0.157 0.000 0.997 438 G CA 1.412 46.620 45.100 0.180 0.000 0.708 438 G HN 1.952 nan 8.290 nan 0.000 0.520 439 D N 0.360 120.870 120.400 0.183 0.000 2.347 439 D HA 0.442 5.081 4.640 -0.002 0.000 0.235 439 D C -0.156 176.237 176.300 0.155 0.000 1.149 439 D CA -2.144 51.943 54.000 0.146 0.000 0.850 439 D CB 1.184 42.062 40.800 0.130 0.000 1.061 439 D HN 0.132 nan 8.370 nan 0.000 0.487 440 P HA -0.052 nan 4.420 nan 0.000 0.239 440 P C 0.199 177.572 177.300 0.123 0.000 1.184 440 P CA 0.450 63.621 63.100 0.118 0.000 0.760 440 P CB 0.442 32.194 31.700 0.088 0.000 0.884 441 N N -0.428 118.344 118.700 0.119 0.000 2.254 441 N HA 0.017 4.756 4.740 -0.002 0.000 0.190 441 N C 0.040 175.634 175.510 0.139 0.000 1.107 441 N CA 0.331 53.449 53.050 0.112 0.000 0.869 441 N CB 0.005 38.540 38.487 0.080 0.000 0.983 441 N HN 0.123 nan 8.380 nan 0.000 0.487 442 N N 0.733 119.543 118.700 0.184 0.000 2.732 442 N HA 0.157 4.896 4.740 -0.002 0.000 0.247 442 N C -1.353 174.414 175.510 0.429 0.000 1.305 442 N CA -0.236 52.966 53.050 0.253 0.000 0.762 442 N CB 0.545 39.126 38.487 0.156 0.000 1.361 442 N HN -0.143 nan 8.380 nan 0.000 0.545 443 R N 0.667 121.388 120.500 0.368 0.000 2.357 443 R HA 0.383 4.722 4.340 -0.002 0.000 0.296 443 R C 0.602 176.967 176.300 0.108 0.000 1.052 443 R CA -0.482 55.796 56.100 0.298 0.000 0.988 443 R CB 0.940 31.396 30.300 0.261 0.000 1.025 443 R HN 0.628 nan 8.270 nan 0.000 0.469 444 S N 1.328 116.764 115.700 -0.441 0.000 2.596 444 S HA -0.043 4.426 4.470 -0.002 0.000 0.260 444 S C 1.408 175.634 174.600 -0.624 0.000 1.336 444 S CA -0.452 56.933 58.200 -1.358 0.000 0.993 444 S CB 1.232 63.549 63.200 -1.472 0.000 0.923 444 S HN 0.487 nan 8.310 nan 0.000 0.567 445 V N 1.675 121.131 119.914 -0.763 0.000 2.282 445 V HA -0.157 3.962 4.120 -0.002 0.000 0.249 445 V C 1.896 177.862 176.094 -0.213 0.000 1.057 445 V CA 2.323 64.356 62.300 -0.445 0.000 1.032 445 V CB -1.238 30.286 31.823 -0.499 0.000 0.645 445 V HN 0.835 nan 8.190 nan 0.000 0.447 446 F N 0.852 120.716 119.950 -0.143 0.000 2.186 446 F HA -0.012 4.514 4.527 -0.001 0.000 0.299 446 F C 2.438 178.050 175.800 -0.313 0.000 1.090 446 F CA 1.687 59.570 58.000 -0.194 0.000 1.307 446 F CB -1.042 37.846 39.000 -0.187 0.000 1.019 446 F HN 0.250 nan 8.300 nan 0.000 0.489 447 E N -0.855 119.347 120.200 0.002 0.000 2.028 447 E HA -0.258 4.091 4.350 -0.002 0.000 0.191 447 E C 2.004 178.697 176.600 0.156 0.000 0.988 447 E CA 1.438 57.894 56.400 0.093 0.000 0.799 447 E CB -0.567 29.216 29.700 0.138 0.000 0.755 447 E HN 0.519 nan 8.360 nan 0.000 0.447 448 W N 1.570 122.852 121.300 -0.031 0.000 2.318 448 W HA -0.273 4.386 4.660 -0.002 0.000 0.313 448 W C 2.368 178.908 176.519 0.034 0.000 1.221 448 W CA 2.286 59.636 57.345 0.008 0.000 1.266 448 W CB -0.295 29.151 29.460 -0.022 0.000 1.150 448 W HN 0.055 nan 8.180 nan 0.000 0.496 449 A N -0.648 122.362 122.820 0.317 0.000 1.940 449 A HA -0.276 4.043 4.320 -0.002 0.000 0.219 449 A C 1.620 179.240 177.584 0.058 0.000 1.176 449 A CA 2.085 54.225 52.037 0.171 0.000 0.631 449 A CB -1.374 17.766 19.000 0.234 0.000 0.814 449 A HN 0.658 nan 8.150 nan 0.000 0.446 450 H N -0.640 118.481 119.070 0.086 0.000 2.321 450 H HA -0.121 4.434 4.556 -0.002 0.000 0.300 450 H C 1.378 176.690 175.328 -0.026 0.000 1.087 450 H CA 1.057 57.138 56.048 0.054 0.000 1.319 450 H CB 0.056 29.868 29.762 0.084 0.000 1.379 450 H HN 0.427 nan 8.280 nan 0.000 0.501 451 D N 0.366 120.785 120.400 0.032 0.000 2.310 451 D HA -0.091 4.548 4.640 -0.002 0.000 0.212 451 D C 1.461 177.657 176.300 -0.174 0.000 0.965 451 D CA 0.768 54.717 54.000 -0.086 0.000 0.879 451 D CB 0.086 40.802 40.800 -0.141 0.000 0.921 451 D HN 0.306 nan 8.370 nan 0.000 0.510 452 K N -0.236 120.021 120.400 -0.238 0.000 2.444 452 K HA 0.112 4.431 4.320 -0.002 0.000 0.193 452 K C 1.123 177.696 176.600 -0.045 0.000 1.024 452 K CA 0.312 56.479 56.287 -0.201 0.000 1.077 452 K CB 0.779 33.104 32.500 -0.292 0.000 0.833 452 K HN 0.122 nan 8.250 nan 0.000 0.517 453 G N 1.791 110.592 108.800 0.003 0.000 2.171 453 G HA2 -0.236 3.723 3.960 -0.002 0.000 0.238 453 G HA3 -0.236 3.723 3.960 -0.002 0.000 0.238 453 G C -0.076 174.860 174.900 0.059 0.000 1.039 453 G CA 0.034 45.168 45.100 0.057 0.000 0.759 453 G HN 0.184 nan 8.290 nan 0.000 0.501 454 L N -0.759 120.499 121.223 0.058 0.000 2.313 454 L HA 0.892 5.231 4.340 -0.002 0.000 0.268 454 L C 0.776 177.682 176.870 0.060 0.000 1.010 454 L CA -1.483 53.350 54.840 -0.011 0.000 0.814 454 L CB 1.916 43.959 42.059 -0.027 0.000 1.304 454 L HN 0.256 nan 8.230 nan 0.000 0.441 455 V N -2.418 117.464 119.914 -0.054 0.000 2.960 455 V HA 0.700 4.819 4.120 -0.002 0.000 0.315 455 V C -0.745 175.453 176.094 0.174 0.000 1.087 455 V CA -0.758 61.525 62.300 -0.029 0.000 0.982 455 V CB 1.740 33.242 31.823 -0.536 0.000 1.039 455 V HN 0.841 nan 8.190 nan 0.000 0.437 456 C N 2.950 122.378 119.300 0.214 0.000 2.626 456 C HA 0.718 5.177 4.460 -0.002 0.000 0.310 456 C C -0.113 174.868 174.990 -0.016 0.000 1.191 456 C CA -0.595 58.562 59.018 0.232 0.000 1.517 456 C CB 1.617 29.548 27.740 0.318 0.000 2.102 456 C HN 1.077 nan 8.230 nan 0.000 0.479 457 Q N 0.941 120.510 119.800 -0.384 0.000 2.214 457 Q HA 0.736 5.075 4.340 -0.002 0.000 0.251 457 Q C -0.478 175.431 176.000 -0.153 0.000 0.936 457 Q CA -0.295 55.102 55.803 -0.676 0.000 0.894 457 Q CB 1.437 29.442 28.738 -1.220 0.000 1.252 457 Q HN 0.629 nan 8.270 nan 0.000 0.448 458 T N 0.594 115.101 114.554 -0.078 0.000 2.924 458 T HA 0.226 4.575 4.350 -0.002 0.000 0.291 458 T C -0.687 174.032 174.700 0.032 0.000 1.045 458 T CA -0.844 61.316 62.100 0.099 0.000 1.015 458 T CB 1.197 70.155 68.868 0.151 0.000 1.103 458 T HN 0.653 nan 8.240 nan 0.000 0.496 459 N N 3.608 122.200 118.700 -0.180 0.000 2.452 459 N HA 0.130 4.869 4.740 -0.002 0.000 0.266 459 N C -0.989 174.242 175.510 -0.464 0.000 1.175 459 N CA 0.090 52.703 53.050 -0.729 0.000 0.945 459 N CB 0.149 37.898 38.487 -1.229 0.000 1.063 459 N HN 0.417 nan 8.380 nan 0.000 0.472 460 I N 2.971 123.329 120.570 -0.354 0.000 2.439 460 I HA 0.156 4.325 4.170 -0.002 0.000 0.285 460 I C 0.801 176.890 176.117 -0.047 0.000 1.021 460 I CA -0.571 60.575 61.300 -0.256 0.000 1.091 460 I CB 0.940 38.794 38.000 -0.244 0.000 1.242 460 I HN 0.437 nan 8.210 nan 0.000 0.439 461 T N 1.490 116.054 114.554 0.017 0.000 2.948 461 T HA 0.323 4.672 4.350 -0.002 0.000 0.285 461 T C 0.821 175.762 174.700 0.401 0.000 1.019 461 T CA -0.653 61.583 62.100 0.227 0.000 1.013 461 T CB 1.812 70.836 68.868 0.260 0.000 1.117 461 T HN 0.740 nan 8.240 nan 0.000 0.533 462 C N 0.333 119.867 119.300 0.390 0.000 2.435 462 C HA 0.546 5.005 4.460 -0.002 0.000 0.326 462 C C 0.094 175.206 174.990 0.203 0.000 1.328 462 C CA -1.216 57.937 59.018 0.226 0.000 1.741 462 C CB -2.640 25.138 27.740 0.063 0.000 1.998 462 C HN 0.634 nan 8.230 nan 0.000 0.585 463 F N 2.424 122.429 119.950 0.092 0.000 2.404 463 F HA 0.439 4.965 4.527 -0.001 0.000 0.359 463 F C 0.314 176.078 175.800 -0.060 0.000 1.134 463 F CA -0.586 57.334 58.000 -0.132 0.000 1.160 463 F CB 0.786 39.742 39.000 -0.074 0.000 1.186 463 F HN 0.023 nan 8.300 nan 0.000 0.526 464 L N 4.998 126.212 121.223 -0.016 0.000 2.288 464 L HA 0.272 4.611 4.340 -0.002 0.000 0.283 464 L C 0.561 177.516 176.870 0.142 0.000 1.072 464 L CA -0.371 54.576 54.840 0.180 0.000 0.862 464 L CB 0.196 42.350 42.059 0.159 0.000 1.245 464 L HN 0.581 nan 8.230 nan 0.000 0.432 465 R N 1.873 122.522 120.500 0.248 0.000 2.538 465 R HA -0.176 4.163 4.340 -0.002 0.000 0.273 465 R C 0.803 177.179 176.300 0.127 0.000 0.967 465 R CA 0.748 56.920 56.100 0.121 0.000 1.101 465 R CB 0.430 30.754 30.300 0.040 0.000 0.908 465 R HN 0.596 nan 8.270 nan 0.000 0.411 466 N N 1.245 119.962 118.700 0.029 0.000 2.397 466 N HA -0.049 4.690 4.740 -0.002 0.000 0.190 466 N C -1.050 174.469 175.510 0.015 0.000 1.099 466 N CA 0.335 53.388 53.050 0.005 0.000 0.876 466 N CB 0.447 38.901 38.487 -0.055 0.000 1.143 466 N HN 0.708 nan 8.380 nan 0.000 0.468 467 D N 0.116 120.527 120.400 0.017 0.000 2.422 467 D HA 0.099 4.738 4.640 -0.002 0.000 0.227 467 D C -0.338 175.975 176.300 0.021 0.000 1.190 467 D CA -0.158 53.854 54.000 0.019 0.000 0.905 467 D CB 0.330 41.147 40.800 0.029 0.000 1.034 467 D HN 0.085 nan 8.370 nan 0.000 0.507 468 N N 1.743 120.460 118.700 0.027 0.000 2.205 468 N HA -0.051 4.688 4.740 -0.002 0.000 0.201 468 N C -0.311 175.211 175.510 0.019 0.000 1.128 468 N CA -0.085 52.985 53.050 0.033 0.000 0.867 468 N CB 0.380 38.912 38.487 0.075 0.000 0.996 468 N HN 0.532 nan 8.380 nan 0.000 0.503 469 E N 0.072 120.280 120.200 0.014 0.000 2.269 469 E HA -0.278 4.071 4.350 -0.002 0.000 0.223 469 E C 0.958 177.563 176.600 0.008 0.000 1.244 469 E CA 0.275 56.680 56.400 0.008 0.000 0.713 469 E CB -1.648 28.055 29.700 0.004 0.000 1.178 469 E HN 0.502 nan 8.360 nan 0.000 0.370 470 G N -0.250 108.558 108.800 0.012 0.000 2.708 470 G HA2 -0.461 3.498 3.960 -0.002 0.000 0.229 470 G HA3 -0.461 3.498 3.960 -0.002 0.000 0.229 470 G C 0.407 175.319 174.900 0.020 0.000 1.236 470 G CA 0.476 45.584 45.100 0.013 0.000 0.749 470 G HN 0.386 nan 8.290 nan 0.000 0.515 471 Q N 2.145 121.956 119.800 0.018 0.000 2.304 471 Q HA 0.359 4.698 4.340 -0.002 0.000 0.315 471 Q C -0.083 175.947 176.000 0.050 0.000 1.075 471 Q CA 0.526 56.342 55.803 0.022 0.000 0.988 471 Q CB 0.427 29.169 28.738 0.006 0.000 1.146 471 Q HN 0.403 nan 8.270 nan 0.000 0.383 472 D N 2.245 122.679 120.400 0.057 0.000 2.308 472 D HA 0.086 4.725 4.640 -0.002 0.000 0.251 472 D C -1.396 175.006 176.300 0.171 0.000 1.127 472 D CA 0.003 54.056 54.000 0.088 0.000 0.876 472 D CB 0.488 41.323 40.800 0.059 0.000 1.176 472 D HN 0.452 nan 8.370 nan 0.000 0.446 473 Y N 3.716 124.025 120.300 0.016 0.000 2.488 473 Y HA 0.115 4.664 4.550 -0.001 0.000 0.330 473 Y C 0.855 176.781 175.900 0.043 0.000 1.013 473 Y CA -0.974 57.143 58.100 0.029 0.000 1.304 473 Y CB 0.813 39.292 38.460 0.032 0.000 1.098 473 Y HN 0.428 nan 8.280 nan 0.000 0.498 474 E N 2.864 123.088 120.200 0.040 0.000 2.209 474 E HA -0.107 4.242 4.350 -0.002 0.000 0.196 474 E C 0.874 177.371 176.600 -0.171 0.000 0.993 474 E CA 1.393 57.761 56.400 -0.053 0.000 0.819 474 E CB 0.471 30.170 29.700 -0.002 0.000 0.745 474 E HN 0.610 nan 8.360 nan 0.000 0.477 475 V N 2.127 121.759 119.914 -0.469 0.000 2.255 475 V HA -0.222 3.897 4.120 -0.002 0.000 0.243 475 V C 2.603 178.575 176.094 -0.203 0.000 1.038 475 V CA 1.867 63.953 62.300 -0.358 0.000 1.008 475 V CB -0.827 30.733 31.823 -0.438 0.000 0.645 475 V HN 0.377 nan 8.190 nan 0.000 0.449 476 N N -0.021 118.321 118.700 -0.596 0.000 2.149 476 N HA -0.249 4.490 4.740 -0.002 0.000 0.188 476 N C 1.946 177.380 175.510 -0.127 0.000 1.019 476 N CA 1.631 54.544 53.050 -0.228 0.000 0.857 476 N CB -0.147 38.269 38.487 -0.118 0.000 0.997 476 N HN 0.413 nan 8.380 nan 0.000 0.426 477 Q N 0.683 120.408 119.800 -0.124 0.000 1.993 477 Q HA -0.111 4.228 4.340 -0.002 0.000 0.202 477 Q C 2.056 178.035 176.000 -0.035 0.000 0.984 477 Q CA 2.490 58.260 55.803 -0.055 0.000 0.837 477 Q CB -0.985 27.735 28.738 -0.031 0.000 0.902 477 Q HN 0.663 nan 8.270 nan 0.000 0.423 478 T N -0.398 114.156 114.554 -0.000 0.000 2.833 478 T HA -0.171 4.178 4.350 -0.002 0.000 0.269 478 T C 2.011 176.642 174.700 -0.114 0.000 1.054 478 T CA 1.274 63.387 62.100 0.022 0.000 1.135 478 T CB -0.544 68.426 68.868 0.170 0.000 0.869 478 T HN 0.194 nan 8.240 nan 0.000 0.466 479 L N 1.124 122.219 121.223 -0.212 0.000 2.012 479 L HA -0.035 4.304 4.340 -0.002 0.000 0.210 479 L C 2.878 179.682 176.870 -0.110 0.000 1.073 479 L CA 1.723 56.297 54.840 -0.444 0.000 0.748 479 L CB -0.447 41.349 42.059 -0.438 0.000 0.891 479 L HN 0.129 nan 8.230 nan 0.000 0.431 480 R N -0.816 119.683 120.500 -0.001 0.000 2.083 480 R HA -0.174 4.165 4.340 -0.002 0.000 0.237 480 R C 2.323 178.686 176.300 0.104 0.000 1.137 480 R CA 1.530 57.704 56.100 0.123 0.000 0.951 480 R CB -0.456 29.831 30.300 -0.023 0.000 0.851 480 R HN 0.395 nan 8.270 nan 0.000 0.434 481 E N 0.746 120.946 120.200 0.001 0.000 2.072 481 E HA -0.131 4.218 4.350 -0.002 0.000 0.191 481 E C 1.482 178.055 176.600 -0.045 0.000 0.985 481 E CA 1.193 57.585 56.400 -0.013 0.000 0.801 481 E CB 0.163 29.853 29.700 -0.016 0.000 0.750 481 E HN 0.270 nan 8.360 nan 0.000 0.452 482 R N 0.354 120.794 120.500 -0.100 0.000 2.356 482 R HA 0.133 4.472 4.340 -0.002 0.000 0.234 482 R C 0.039 176.214 176.300 -0.208 0.000 0.929 482 R CA -0.055 55.962 56.100 -0.139 0.000 1.084 482 R CB 0.179 30.383 30.300 -0.160 0.000 1.105 482 R HN 0.150 nan 8.270 nan 0.000 0.515 483 Q N 0.580 120.245 119.800 -0.225 0.000 2.439 483 Q HA -0.190 4.149 4.340 -0.002 0.000 0.325 483 Q C 0.054 175.707 176.000 -0.578 0.000 1.372 483 Q CA 0.425 55.955 55.803 -0.455 0.000 0.909 483 Q CB -1.378 27.155 28.738 -0.340 0.000 1.167 483 Q HN 0.481 nan 8.270 nan 0.000 0.418 484 L N -0.476 120.422 121.223 -0.541 0.000 2.728 484 L HA 0.163 4.502 4.340 -0.002 0.000 0.238 484 L C 0.672 177.259 176.870 -0.470 0.000 1.143 484 L CA -0.333 54.201 54.840 -0.509 0.000 0.937 484 L CB -0.099 41.598 42.059 -0.604 0.000 1.225 484 L HN 0.319 nan 8.230 nan 0.000 0.507 485 Y N -2.010 118.116 120.300 -0.291 0.000 2.326 485 Y HA 0.460 5.009 4.550 -0.002 0.000 0.324 485 Y C 0.624 176.444 175.900 -0.133 0.000 1.291 485 Y CA -1.255 56.717 58.100 -0.212 0.000 1.348 485 Y CB -0.175 38.196 38.460 -0.147 0.000 1.294 485 Y HN -0.221 nan 8.280 nan 0.000 0.525 486 T N 3.862 118.502 114.554 0.143 0.000 2.834 486 T HA 0.148 4.497 4.350 -0.002 0.000 0.298 486 T C -0.070 174.775 174.700 0.243 0.000 0.966 486 T CA -0.658 61.484 62.100 0.070 0.000 1.141 486 T CB 0.016 68.904 68.868 0.033 0.000 0.905 486 T HN 0.461 nan 8.240 nan 0.000 0.535 487 K N 2.831 123.304 120.400 0.122 0.000 2.138 487 K HA 0.139 4.458 4.320 -0.002 0.000 0.251 487 K C 0.907 177.641 176.600 0.224 0.000 1.015 487 K CA -0.685 55.726 56.287 0.206 0.000 0.917 487 K CB 0.351 32.908 32.500 0.095 0.000 1.021 487 K HN 0.575 nan 8.250 nan 0.000 0.485 488 N N 1.014 119.880 118.700 0.278 0.000 2.466 488 N HA 0.009 4.748 4.740 -0.002 0.000 0.251 488 N C -0.932 174.825 175.510 0.411 0.000 1.164 488 N CA -0.079 53.223 53.050 0.419 0.000 0.888 488 N CB -0.021 38.693 38.487 0.379 0.000 1.177 488 N HN 0.299 nan 8.380 nan 0.000 0.498 489 D N 0.071 120.637 120.400 0.277 0.000 2.253 489 D HA 0.459 5.098 4.640 -0.002 0.000 0.249 489 D C 0.030 176.470 176.300 0.234 0.000 1.049 489 D CA -0.080 54.034 54.000 0.189 0.000 0.929 489 D CB 1.676 42.531 40.800 0.092 0.000 1.176 489 D HN 0.431 nan 8.370 nan 0.000 0.437 490 S N -0.598 115.180 115.700 0.130 0.000 2.588 490 S HA 0.358 4.827 4.470 -0.002 0.000 0.269 490 S C 0.071 174.693 174.600 0.038 0.000 1.157 490 S CA -0.822 57.432 58.200 0.089 0.000 0.824 490 S CB 0.659 63.903 63.200 0.074 0.000 1.126 490 S HN 0.288 nan 8.310 nan 0.000 0.464 491 L N 1.059 122.311 121.223 0.048 0.000 2.629 491 L HA 0.217 4.556 4.340 -0.002 0.000 0.230 491 L C 1.561 178.480 176.870 0.081 0.000 1.151 491 L CA 0.590 55.482 54.840 0.087 0.000 0.924 491 L CB -0.540 41.619 42.059 0.168 0.000 1.137 491 L HN 1.018 nan 8.230 nan 0.000 0.457 492 T N -5.661 108.903 114.554 0.016 0.000 2.975 492 T HA 0.243 4.592 4.350 -0.002 0.000 0.261 492 T C 1.409 176.081 174.700 -0.046 0.000 0.984 492 T CA 0.393 62.494 62.100 0.000 0.000 0.911 492 T CB 0.854 69.690 68.868 -0.054 0.000 1.127 492 T HN 0.224 nan 8.240 nan 0.000 0.514 493 G N 2.129 110.883 108.800 -0.077 0.000 2.176 493 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.252 493 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.252 493 G C 0.062 174.840 174.900 -0.204 0.000 1.024 493 G CA 0.194 45.228 45.100 -0.110 0.000 0.755 493 G HN 0.670 nan 8.290 nan 0.000 0.507 494 T N 1.029 115.391 114.554 -0.321 0.000 2.834 494 T HA 0.322 4.671 4.350 -0.002 0.000 0.298 494 T C 0.191 174.429 174.700 -0.770 0.000 0.966 494 T CA 0.280 62.087 62.100 -0.489 0.000 1.141 494 T CB 1.445 69.995 68.868 -0.529 0.000 0.905 494 T HN 0.324 nan 8.240 nan 0.000 0.535 495 D N 2.743 122.833 120.400 -0.517 0.000 2.380 495 D HA 0.109 4.748 4.640 -0.002 0.000 0.230 495 D C 0.102 176.171 176.300 -0.386 0.000 1.154 495 D CA -0.489 53.262 54.000 -0.416 0.000 0.859 495 D CB 0.397 41.076 40.800 -0.202 0.000 1.045 495 D HN 0.363 nan 8.370 nan 0.000 0.495 496 F N 2.494 122.376 119.950 -0.114 0.000 2.748 496 F HA 0.193 4.719 4.527 -0.002 0.000 0.299 496 F C 1.762 177.454 175.800 -0.179 0.000 1.154 496 F CA 0.659 58.544 58.000 -0.192 0.000 1.446 496 F CB -0.381 38.493 39.000 -0.209 0.000 1.112 496 F HN 0.593 nan 8.300 nan 0.000 0.584 497 G N 0.628 109.434 108.800 0.010 0.000 2.663 497 G HA2 0.125 4.084 3.960 -0.002 0.000 0.686 497 G HA3 0.125 4.084 3.960 -0.002 0.000 0.686 497 G C -1.301 173.576 174.900 -0.038 0.000 1.246 497 G CA -0.682 44.411 45.100 -0.012 0.000 0.795 497 G HN 0.065 nan 8.290 nan 0.000 0.627 498 M N 0.504 120.082 119.600 -0.035 0.000 2.575 498 M HA 0.875 5.354 4.480 -0.002 0.000 0.284 498 M C 0.407 176.686 176.300 -0.035 0.000 1.253 498 M CA -0.190 55.088 55.300 -0.037 0.000 0.861 498 M CB 1.906 34.491 32.600 -0.026 0.000 1.733 498 M HN 1.814 nan 8.290 nan 0.000 0.462 499 T N -1.986 112.547 114.554 -0.035 0.000 2.858 499 T HA 0.570 4.919 4.350 -0.002 0.000 0.285 499 T C -0.094 174.591 174.700 -0.024 0.000 1.052 499 T CA -0.624 61.461 62.100 -0.026 0.000 1.009 499 T CB 0.852 69.707 68.868 -0.021 0.000 1.241 499 T HN 0.535 nan 8.240 nan 0.000 0.542 500 D N -0.016 120.374 120.400 -0.018 0.000 2.347 500 D HA 0.049 4.688 4.640 -0.002 0.000 0.215 500 D C 1.197 177.486 176.300 -0.020 0.000 0.976 500 D CA 0.562 54.552 54.000 -0.016 0.000 0.884 500 D CB 0.024 40.818 40.800 -0.010 0.000 0.915 500 D HN 0.514 nan 8.370 nan 0.000 0.526 501 D N -0.034 120.352 120.400 -0.024 0.000 2.240 501 D HA 0.081 4.720 4.640 -0.002 0.000 0.206 501 D C 1.525 177.793 176.300 -0.052 0.000 0.963 501 D CA 0.974 54.956 54.000 -0.031 0.000 0.863 501 D CB 0.589 41.373 40.800 -0.026 0.000 0.973 501 D HN 0.200 nan 8.370 nan 0.000 0.501 502 G N 1.578 110.341 108.800 -0.062 0.000 2.601 502 G HA2 -0.249 3.710 3.960 -0.002 0.000 0.252 502 G HA3 -0.249 3.710 3.960 -0.002 0.000 0.252 502 G C -2.545 172.263 174.900 -0.155 0.000 1.294 502 G CA -0.663 44.384 45.100 -0.089 0.000 0.912 502 G HN 0.091 nan 8.290 nan 0.000 0.574 503 P HA 0.260 nan 4.420 nan 0.000 0.272 503 P C 1.288 178.530 177.300 -0.096 0.000 1.240 503 P CA 0.701 63.706 63.100 -0.160 0.000 0.791 503 P CB 0.675 32.243 31.700 -0.220 0.000 0.978 504 S N 0.101 115.779 115.700 -0.036 0.000 2.387 504 S HA -0.215 4.254 4.470 -0.002 0.000 0.230 504 S C 0.997 175.613 174.600 0.025 0.000 1.035 504 S CA 1.811 60.008 58.200 -0.005 0.000 1.014 504 S CB -1.112 62.092 63.200 0.007 0.000 0.836 504 S HN 0.627 nan 8.310 nan 0.000 0.466 505 D N 1.178 121.616 120.400 0.062 0.000 2.424 505 D HA 0.520 5.159 4.640 -0.002 0.000 0.220 505 D C 0.113 176.537 176.300 0.206 0.000 1.150 505 D CA -0.135 53.942 54.000 0.129 0.000 0.831 505 D CB -0.032 40.851 40.800 0.139 0.000 0.981 505 D HN 0.517 nan 8.370 nan 0.000 0.500 506 A N 0.233 123.101 122.820 0.080 0.000 2.306 506 A HA 0.467 4.786 4.320 -0.002 0.000 0.314 506 A C -1.034 176.624 177.584 0.124 0.000 1.164 506 A CA -0.832 51.226 52.037 0.036 0.000 0.822 506 A CB 0.485 19.221 19.000 -0.439 0.000 1.130 506 A HN 0.297 nan 8.150 nan 0.000 0.496 507 Y N 2.504 122.868 120.300 0.105 0.000 2.537 507 Y HA 0.430 4.979 4.550 -0.002 0.000 0.339 507 Y C -0.283 175.684 175.900 0.111 0.000 1.066 507 Y CA 0.149 58.304 58.100 0.091 0.000 1.357 507 Y CB 0.175 38.675 38.460 0.066 0.000 1.175 507 Y HN 0.469 nan 8.280 nan 0.000 0.525 508 I N 7.318 127.747 120.570 -0.236 0.000 2.359 508 I HA 0.388 4.557 4.170 -0.002 0.000 0.284 508 I C 0.681 176.710 176.117 -0.146 0.000 1.018 508 I CA -0.452 60.791 61.300 -0.094 0.000 1.173 508 I CB 0.885 38.829 38.000 -0.095 0.000 1.326 508 I HN 0.756 nan 8.210 nan 0.000 0.462 509 G N 3.588 112.527 108.800 0.231 0.000 2.531 509 G HA2 0.448 4.407 3.960 -0.002 0.000 0.313 509 G HA3 0.448 4.407 3.960 -0.002 0.000 0.313 509 G C -1.502 173.558 174.900 0.266 0.000 1.238 509 G CA -0.296 44.959 45.100 0.259 0.000 0.994 509 G HN 0.613 nan 8.290 nan 0.000 0.493 510 H N -1.194 117.965 119.070 0.147 0.000 2.589 510 H HA 0.549 5.104 4.556 -0.002 0.000 0.351 510 H C -1.163 174.273 175.328 0.180 0.000 1.074 510 H CA -0.681 55.437 56.048 0.117 0.000 1.203 510 H CB 1.799 31.576 29.762 0.025 0.000 1.558 510 H HN 0.381 nan 8.280 nan 0.000 0.522 511 L N 3.919 125.022 121.223 -0.200 0.000 2.289 511 L HA 0.388 4.727 4.340 -0.002 0.000 0.285 511 L C -1.009 175.611 176.870 -0.418 0.000 1.049 511 L CA -0.218 54.414 54.840 -0.348 0.000 0.804 511 L CB 1.075 42.829 42.059 -0.508 0.000 1.195 511 L HN 0.814 nan 8.230 nan 0.000 0.428 512 D N 2.731 122.921 120.400 -0.350 0.000 2.788 512 D HA 0.245 4.884 4.640 -0.002 0.000 0.247 512 D C -0.773 175.397 176.300 -0.218 0.000 1.236 512 D CA -0.146 53.762 54.000 -0.154 0.000 0.898 512 D CB 0.840 41.679 40.800 0.066 0.000 1.401 512 D HN 0.423 nan 8.370 nan 0.000 0.549 513 Y N 2.599 122.947 120.300 0.079 0.000 2.485 513 Y HA 0.479 5.028 4.550 -0.002 0.000 0.260 513 Y C 1.282 177.367 175.900 0.308 0.000 1.173 513 Y CA 0.474 58.696 58.100 0.204 0.000 1.252 513 Y CB 0.679 39.320 38.460 0.302 0.000 1.123 513 Y HN 0.702 nan 8.280 nan 0.000 0.524 514 G N -0.619 108.361 108.800 0.300 0.000 2.705 514 G HA2 0.200 4.159 3.960 -0.002 0.000 0.686 514 G HA3 0.200 4.159 3.960 -0.002 0.000 0.686 514 G C 0.554 175.638 174.900 0.307 0.000 1.285 514 G CA -0.397 44.845 45.100 0.236 0.000 0.800 514 G HN 0.972 nan 8.290 nan 0.000 0.611 515 G N -0.655 108.274 108.800 0.214 0.000 2.283 515 G HA2 0.352 4.311 3.960 -0.002 0.000 0.280 515 G HA3 0.352 4.311 3.960 -0.002 0.000 0.280 515 G C 2.129 177.060 174.900 0.053 0.000 1.029 515 G CA 1.109 46.275 45.100 0.109 0.000 0.840 515 G HN 3.148 nan 8.290 nan 0.000 0.505 516 G N -3.034 105.815 108.800 0.082 0.000 2.184 516 G HA2 -0.086 3.873 3.960 -0.002 0.000 0.264 516 G HA3 -0.086 3.873 3.960 -0.002 0.000 0.264 516 G C 0.468 175.412 174.900 0.073 0.000 0.975 516 G CA 0.537 45.678 45.100 0.068 0.000 0.642 516 G HN 1.673 nan 8.290 nan 0.000 0.536 517 V N 2.362 122.336 119.914 0.100 0.000 2.356 517 V HA 0.560 4.679 4.120 -0.002 0.000 0.258 517 V C 0.427 176.628 176.094 0.178 0.000 1.065 517 V CA 0.788 63.163 62.300 0.126 0.000 0.935 517 V CB 0.491 32.392 31.823 0.129 0.000 1.061 517 V HN 0.689 nan 8.190 nan 0.000 0.484 518 E N 4.489 124.748 120.200 0.097 0.000 2.416 518 E HA 0.735 5.084 4.350 -0.002 0.000 0.280 518 E C -1.258 175.286 176.600 -0.094 0.000 1.055 518 E CA -0.962 55.433 56.400 -0.010 0.000 0.825 518 E CB 2.127 31.874 29.700 0.078 0.000 1.312 518 E HN 0.659 nan 8.360 nan 0.000 0.452 519 C N -0.390 118.707 119.300 -0.339 0.000 3.312 519 C HA 0.590 5.049 4.460 -0.002 0.000 0.332 519 C C -1.379 173.340 174.990 -0.451 0.000 1.340 519 C CA -0.925 57.943 59.018 -0.251 0.000 1.265 519 C CB 0.993 28.668 27.740 -0.109 0.000 1.563 519 C HN 0.777 nan 8.230 nan 0.000 0.471 520 D N 1.175 121.502 120.400 -0.123 0.000 2.304 520 D HA 0.648 5.287 4.640 -0.002 0.000 0.247 520 D C 0.177 176.449 176.300 -0.046 0.000 1.089 520 D CA 0.581 54.579 54.000 -0.003 0.000 0.910 520 D CB 1.738 42.585 40.800 0.078 0.000 1.199 520 D HN 1.112 nan 8.370 nan 0.000 0.426 521 A N 1.598 124.374 122.820 -0.073 0.000 2.454 521 A HA 0.716 5.036 4.320 -0.002 0.000 0.302 521 A C -0.837 176.457 177.584 -0.483 0.000 1.079 521 A CA -0.677 51.182 52.037 -0.296 0.000 0.731 521 A CB 1.143 19.892 19.000 -0.419 0.000 1.299 521 A HN 0.497 nan 8.150 nan 0.000 0.413 522 L N 0.104 120.993 121.223 -0.556 0.000 2.313 522 L HA 0.745 5.084 4.340 -0.002 0.000 0.268 522 L C -1.212 175.166 176.870 -0.820 0.000 1.010 522 L CA -0.532 54.022 54.840 -0.477 0.000 0.814 522 L CB 1.703 43.624 42.059 -0.229 0.000 1.304 522 L HN 0.747 nan 8.230 nan 0.000 0.441 523 F N -0.179 119.726 119.950 -0.075 0.000 2.599 523 F HA 0.455 4.981 4.527 -0.002 0.000 0.311 523 F C -2.373 173.299 175.800 -0.213 0.000 1.076 523 F CA -2.376 55.532 58.000 -0.152 0.000 0.937 523 F CB 1.415 40.291 39.000 -0.206 0.000 1.282 523 F HN 0.161 nan 8.300 nan 0.000 0.460 524 P HA 0.080 nan 4.420 nan 0.000 0.282 524 P C -0.643 176.180 177.300 -0.795 0.000 1.274 524 P CA -0.166 62.494 63.100 -0.733 0.000 0.770 524 P CB 0.616 31.425 31.700 -1.485 0.000 0.867 525 D N 2.945 123.053 120.400 -0.486 0.000 2.671 525 D HA 0.007 4.646 4.640 -0.002 0.000 0.228 525 D C 0.628 176.773 176.300 -0.257 0.000 1.102 525 D CA -0.113 53.701 54.000 -0.310 0.000 1.044 525 D CB -0.462 40.196 40.800 -0.237 0.000 1.113 525 D HN 0.309 nan 8.370 nan 0.000 0.480 526 W N 1.810 123.070 121.300 -0.068 0.000 2.275 526 W HA -0.237 4.422 4.660 -0.002 0.000 0.321 526 W C 2.511 178.992 176.519 -0.062 0.000 1.269 526 W CA 1.102 58.397 57.345 -0.084 0.000 1.274 526 W CB -0.676 28.696 29.460 -0.147 0.000 1.141 526 W HN 0.415 nan 8.180 nan 0.000 0.493 527 G N 0.338 109.226 108.800 0.148 0.000 2.527 527 G HA2 -0.169 3.791 3.960 -0.002 0.000 0.219 527 G HA3 -0.169 3.791 3.960 -0.002 0.000 0.219 527 G C 0.767 175.693 174.900 0.043 0.000 1.117 527 G CA -0.041 45.105 45.100 0.077 0.000 0.759 527 G HN 0.126 nan 8.290 nan 0.000 0.556 528 R N 0.788 121.293 120.500 0.009 0.000 2.531 528 R HA 0.272 4.612 4.340 -0.002 0.000 0.273 528 R C -2.062 174.249 176.300 0.019 0.000 1.070 528 R CA -1.638 54.452 56.100 -0.017 0.000 1.112 528 R CB 0.408 30.658 30.300 -0.083 0.000 1.049 528 R HN 0.079 nan 8.270 nan 0.000 0.508 529 P HA -0.083 nan 4.420 nan 0.000 0.269 529 P C -0.550 176.769 177.300 0.032 0.000 1.217 529 P CA 0.183 63.303 63.100 0.035 0.000 0.783 529 P CB 0.530 32.244 31.700 0.022 0.000 0.898 530 D N -1.309 119.131 120.400 0.067 0.000 2.154 530 D HA -0.162 4.477 4.640 -0.002 0.000 0.165 530 D C 1.501 177.884 176.300 0.138 0.000 1.405 530 D CA 1.233 55.283 54.000 0.084 0.000 1.308 530 D CB -1.707 39.113 40.800 0.033 0.000 1.265 530 D HN 0.149 nan 8.370 nan 0.000 0.498 531 V N 1.126 121.101 119.914 0.102 0.000 2.295 531 V HA -0.235 3.884 4.120 -0.002 0.000 0.246 531 V C 2.743 179.060 176.094 0.372 0.000 1.049 531 V CA 2.826 65.203 62.300 0.129 0.000 1.024 531 V CB -0.680 31.115 31.823 -0.047 0.000 0.648 531 V HN 0.515 nan 8.190 nan 0.000 0.447 532 A N -0.284 122.756 122.820 0.367 0.000 1.902 532 A HA -0.276 4.043 4.320 -0.002 0.000 0.217 532 A C 2.176 179.987 177.584 0.380 0.000 1.181 532 A CA 2.181 54.486 52.037 0.446 0.000 0.623 532 A CB -0.541 18.634 19.000 0.292 0.000 0.818 532 A HN 0.577 nan 8.150 nan 0.000 0.443 533 E N -0.924 119.436 120.200 0.268 0.000 2.031 533 E HA -0.232 4.117 4.350 -0.002 0.000 0.193 533 E C 1.700 178.421 176.600 0.203 0.000 0.994 533 E CA 1.762 58.278 56.400 0.193 0.000 0.800 533 E CB -0.530 29.257 29.700 0.145 0.000 0.752 533 E HN 0.690 nan 8.360 nan 0.000 0.447 534 W N 0.800 122.149 121.300 0.083 0.000 2.317 534 W HA -0.245 4.414 4.660 -0.002 0.000 0.318 534 W C 2.202 178.772 176.519 0.084 0.000 1.227 534 W CA 2.439 59.810 57.345 0.043 0.000 1.269 534 W CB -0.878 28.593 29.460 0.018 0.000 1.155 534 W HN 0.316 nan 8.180 nan 0.000 0.484 535 W N 1.294 122.698 121.300 0.173 0.000 2.301 535 W HA -0.268 4.391 4.660 -0.002 0.000 0.325 535 W C 2.098 178.534 176.519 -0.140 0.000 1.250 535 W CA 2.215 59.537 57.345 -0.039 0.000 1.261 535 W CB -1.087 28.660 29.460 0.479 0.000 1.157 535 W HN 0.090 nan 8.180 nan 0.000 0.473 536 G N 0.235 109.045 108.800 0.017 0.000 2.432 536 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.219 536 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.219 536 G C 1.195 175.990 174.900 -0.176 0.000 1.135 536 G CA 1.017 46.083 45.100 -0.057 0.000 0.767 536 G HN 0.227 nan 8.290 nan 0.000 0.550 537 N N 0.823 119.359 118.700 -0.272 0.000 2.515 537 N HA -0.017 4.722 4.740 -0.002 0.000 0.185 537 N C 1.672 176.868 175.510 -0.523 0.000 1.109 537 N CA 0.165 53.035 53.050 -0.299 0.000 0.903 537 N CB -0.089 38.271 38.487 -0.212 0.000 0.969 537 N HN 0.186 nan 8.380 nan 0.000 0.450 538 N N -0.216 117.932 118.700 -0.919 0.000 2.300 538 N HA -0.054 4.685 4.740 -0.002 0.000 0.179 538 N C 1.096 175.928 175.510 -1.131 0.000 1.016 538 N CA 0.530 52.760 53.050 -1.365 0.000 0.876 538 N CB -0.290 36.689 38.487 -2.512 0.000 0.979 538 N HN 0.349 nan 8.380 nan 0.000 0.432 539 Y N 1.580 121.363 120.300 -0.862 0.000 2.483 539 Y HA -0.038 4.511 4.550 -0.002 0.000 0.291 539 Y C 2.132 177.587 175.900 -0.742 0.000 1.143 539 Y CA 0.842 58.506 58.100 -0.727 0.000 1.289 539 Y CB 0.024 37.944 38.460 -0.899 0.000 0.983 539 Y HN -0.008 nan 8.280 nan 0.000 0.556 540 K N 0.394 120.621 120.400 -0.289 0.000 2.113 540 K HA -0.247 4.072 4.320 -0.002 0.000 0.208 540 K C 1.811 178.380 176.600 -0.052 0.000 1.047 540 K CA 1.678 57.916 56.287 -0.082 0.000 0.928 540 K CB -0.168 32.296 32.500 -0.059 0.000 0.716 540 K HN 0.287 nan 8.250 nan 0.000 0.446 541 K N 0.355 120.677 120.400 -0.129 0.000 2.362 541 K HA -0.051 4.268 4.320 -0.002 0.000 0.200 541 K C 1.678 178.321 176.600 0.072 0.000 1.046 541 K CA 0.753 57.026 56.287 -0.022 0.000 0.952 541 K CB 0.173 32.639 32.500 -0.056 0.000 0.753 541 K HN 0.118 nan 8.250 nan 0.000 0.466 542 L N -1.446 119.785 121.223 0.015 0.000 2.575 542 L HA 0.114 4.453 4.340 -0.002 0.000 0.228 542 L C 1.217 178.197 176.870 0.183 0.000 1.075 542 L CA -0.157 54.739 54.840 0.093 0.000 0.867 542 L CB 0.100 42.154 42.059 -0.008 0.000 1.097 542 L HN 0.034 nan 8.230 nan 0.000 0.485 543 F N 0.798 120.810 119.950 0.102 0.000 2.234 543 F HA -0.088 4.438 4.527 -0.002 0.000 0.296 543 F C 2.756 178.625 175.800 0.114 0.000 1.089 543 F CA 0.993 59.045 58.000 0.086 0.000 1.343 543 F CB -0.896 38.153 39.000 0.081 0.000 1.040 543 F HN 0.080 nan 8.300 nan 0.000 0.498 544 S N 0.263 116.148 115.700 0.309 0.000 2.603 544 S HA 0.014 4.483 4.470 -0.002 0.000 0.220 544 S C 1.391 176.143 174.600 0.254 0.000 0.967 544 S CA 0.515 58.858 58.200 0.238 0.000 0.920 544 S CB -1.092 62.218 63.200 0.184 0.000 0.773 544 S HN 0.569 nan 8.310 nan 0.000 0.529 545 I N -3.578 117.166 120.570 0.290 0.000 4.025 545 I HA 0.662 4.831 4.170 -0.002 0.000 0.336 545 I C 1.191 177.497 176.117 0.315 0.000 1.390 545 I CA -0.029 61.452 61.300 0.301 0.000 1.099 545 I CB 0.276 38.473 38.000 0.329 0.000 1.049 545 I HN 0.269 nan 8.210 nan 0.000 0.394 546 G N 1.787 110.777 108.800 0.316 0.000 2.205 546 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.180 546 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.180 546 G C -0.143 174.814 174.900 0.095 0.000 1.004 546 G CA -0.135 45.144 45.100 0.298 0.000 0.670 546 G HN 0.282 nan 8.290 nan 0.000 0.496 547 L N 1.770 122.902 121.223 -0.153 0.000 2.559 547 L HA 0.450 4.789 4.340 -0.002 0.000 0.274 547 L C 1.038 177.887 176.870 -0.035 0.000 1.205 547 L CA 1.386 55.865 54.840 -0.601 0.000 0.907 547 L CB 0.487 42.224 42.059 -0.537 0.000 1.153 547 L HN 0.262 nan 8.230 nan 0.000 0.490 548 D N 4.147 124.534 120.400 -0.021 0.000 2.320 548 D HA 0.134 4.773 4.640 -0.002 0.000 0.228 548 D C -0.115 176.406 176.300 0.369 0.000 0.978 548 D CA 1.846 55.967 54.000 0.202 0.000 0.905 548 D CB 0.044 40.938 40.800 0.156 0.000 1.051 548 D HN 0.539 nan 8.370 nan 0.000 0.471 549 F N -1.482 118.491 119.950 0.039 0.000 2.849 549 F HA 0.737 5.263 4.527 -0.002 0.000 0.341 549 F C -1.250 174.591 175.800 0.069 0.000 1.185 549 F CA -1.454 56.603 58.000 0.095 0.000 1.007 549 F CB 1.053 40.146 39.000 0.154 0.000 1.454 549 F HN -0.385 nan 8.300 nan 0.000 0.518 550 V N 0.711 120.616 119.914 -0.015 0.000 2.604 550 V HA 0.206 4.325 4.120 -0.002 0.000 0.305 550 V C -1.768 174.274 176.094 -0.088 0.000 1.043 550 V CA -0.385 61.891 62.300 -0.039 0.000 0.888 550 V CB 1.774 33.641 31.823 0.074 0.000 0.995 550 V HN 0.789 nan 8.190 nan 0.000 0.429 551 W N 5.048 126.176 121.300 -0.288 0.000 2.406 551 W HA 0.589 5.248 4.660 -0.002 0.000 0.308 551 W C -0.303 176.155 176.519 -0.102 0.000 0.965 551 W CA -1.392 55.771 57.345 -0.303 0.000 1.589 551 W CB 0.862 30.051 29.460 -0.452 0.000 1.417 551 W HN 0.621 nan 8.180 nan 0.000 0.415 552 Q N 3.703 123.623 119.800 0.199 0.000 2.288 552 Q HA 0.285 4.624 4.340 -0.002 0.000 0.258 552 Q C -0.667 175.433 176.000 0.167 0.000 0.957 552 Q CA 0.753 56.634 55.803 0.130 0.000 0.919 552 Q CB 0.975 29.787 28.738 0.123 0.000 1.185 552 Q HN 0.414 nan 8.270 nan 0.000 0.408 553 D N 2.326 122.750 120.400 0.040 0.000 2.579 553 D HA 0.296 4.935 4.640 -0.002 0.000 0.257 553 D C -0.627 175.707 176.300 0.057 0.000 1.176 553 D CA -0.391 53.637 54.000 0.046 0.000 0.914 553 D CB 0.976 41.673 40.800 -0.173 0.000 1.431 553 D HN 0.541 nan 8.370 nan 0.000 0.454 554 M N 0.836 120.466 119.600 0.050 0.000 2.175 554 M HA -0.168 4.311 4.480 -0.002 0.000 0.192 554 M C 1.035 177.473 176.300 0.229 0.000 0.473 554 M CA 1.101 56.466 55.300 0.108 0.000 0.414 554 M CB -3.098 29.496 32.600 -0.010 0.000 1.069 554 M HN 0.587 nan 8.290 nan 0.000 0.933 555 T N -4.592 110.046 114.554 0.140 0.000 3.043 555 T HA 0.124 4.473 4.350 -0.002 0.000 0.263 555 T C 1.651 176.463 174.700 0.187 0.000 1.094 555 T CA 0.801 62.994 62.100 0.154 0.000 1.127 555 T CB 0.055 68.969 68.868 0.078 0.000 0.905 555 T HN 0.301 nan 8.240 nan 0.000 0.490 556 V N 2.203 122.151 119.914 0.057 0.000 2.278 556 V HA -0.044 4.075 4.120 -0.002 0.000 0.251 556 V C -1.490 174.394 176.094 -0.350 0.000 1.062 556 V CA 1.200 63.447 62.300 -0.087 0.000 1.038 556 V CB -1.697 30.021 31.823 -0.175 0.000 0.646 556 V HN 0.460 nan 8.190 nan 0.000 0.447 557 P HA 0.226 nan 4.420 nan 0.000 0.271 557 P C -0.490 176.733 177.300 -0.129 0.000 1.220 557 P CA 0.127 63.077 63.100 -0.251 0.000 0.768 557 P CB 0.586 31.872 31.700 -0.689 0.000 0.848 558 A N 5.241 128.128 122.820 0.110 0.000 3.051 558 A HA 0.088 4.407 4.320 -0.002 0.000 0.275 558 A C 0.574 178.245 177.584 0.145 0.000 1.900 558 A CA 0.160 52.218 52.037 0.035 0.000 1.496 558 A CB -1.309 17.701 19.000 0.017 0.000 1.013 558 A HN 0.480 nan 8.150 nan 0.000 0.611 559 M N 1.313 120.944 119.600 0.051 0.000 2.255 559 M HA 0.230 4.709 4.480 -0.002 0.000 0.336 559 M C 0.706 177.017 176.300 0.018 0.000 1.135 559 M CA -0.009 55.358 55.300 0.111 0.000 1.145 559 M CB 0.910 33.456 32.600 -0.091 0.000 1.473 559 M HN 0.666 nan 8.290 nan 0.000 0.462 560 M N 4.882 124.533 119.600 0.084 0.000 2.252 560 M HA 0.133 4.612 4.480 -0.002 0.000 0.348 560 M C -2.010 174.342 176.300 0.086 0.000 1.334 560 M CA -1.241 54.113 55.300 0.090 0.000 1.071 560 M CB 0.480 33.187 32.600 0.179 0.000 1.763 560 M HN 0.245 nan 8.290 nan 0.000 0.452 561 P HA -0.107 nan 4.420 nan 0.000 0.261 561 P C -1.357 176.108 177.300 0.275 0.000 1.165 561 P CA 0.973 64.166 63.100 0.155 0.000 0.759 561 P CB 0.071 31.956 31.700 0.308 0.000 0.772 562 H N 2.069 121.225 119.070 0.143 0.000 2.954 562 H HA 0.317 4.872 4.556 -0.002 0.000 0.361 562 H C -1.142 174.441 175.328 0.425 0.000 1.122 562 H CA -0.872 55.316 56.048 0.233 0.000 1.217 562 H CB 2.173 32.060 29.762 0.209 0.000 1.776 562 H HN 0.335 nan 8.280 nan 0.000 0.533 563 K N 6.111 126.379 120.400 -0.221 0.000 2.235 563 K HA 0.232 4.551 4.320 -0.002 0.000 0.266 563 K C -0.087 176.253 176.600 -0.433 0.000 0.980 563 K CA -0.801 55.422 56.287 -0.107 0.000 0.849 563 K CB 0.829 33.129 32.500 -0.333 0.000 1.098 563 K HN 0.434 nan 8.250 nan 0.000 0.445 564 I N 3.915 124.413 120.570 -0.121 0.000 2.919 564 I HA -0.102 4.067 4.170 -0.002 0.000 0.299 564 I C 1.338 177.363 176.117 -0.153 0.000 1.221 564 I CA 1.844 63.053 61.300 -0.151 0.000 1.424 564 I CB -0.309 37.624 38.000 -0.112 0.000 1.358 564 I HN 1.136 nan 8.210 nan 0.000 0.551 565 G N 5.076 113.809 108.800 -0.110 0.000 2.192 565 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.193 565 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.193 565 G C -0.130 174.721 174.900 -0.082 0.000 0.999 565 G CA -0.460 44.586 45.100 -0.090 0.000 0.659 565 G HN 0.527 nan 8.290 nan 0.000 0.503 566 D N 1.356 121.698 120.400 -0.096 0.000 2.228 566 D HA 0.513 5.152 4.640 -0.002 0.000 0.247 566 D C -0.090 176.306 176.300 0.160 0.000 0.995 566 D CA -0.518 53.465 54.000 -0.028 0.000 0.903 566 D CB 0.947 41.677 40.800 -0.115 0.000 1.205 566 D HN 0.069 nan 8.370 nan 0.000 0.459 567 D N 0.942 121.392 120.400 0.084 0.000 2.478 567 D HA -0.045 4.594 4.640 -0.002 0.000 0.234 567 D C 1.727 178.076 176.300 0.082 0.000 1.154 567 D CA -0.231 53.807 54.000 0.062 0.000 0.874 567 D CB 0.728 41.527 40.800 -0.002 0.000 1.198 567 D HN 0.198 nan 8.370 nan 0.000 0.455 568 I N 1.632 122.172 120.570 -0.050 0.000 2.236 568 I HA -0.324 3.845 4.170 -0.002 0.000 0.249 568 I C 1.604 177.526 176.117 -0.324 0.000 1.102 568 I CA 1.496 62.665 61.300 -0.218 0.000 1.365 568 I CB -1.016 36.902 38.000 -0.137 0.000 1.051 568 I HN 0.431 nan 8.210 nan 0.000 0.420 569 N N 0.726 119.207 118.700 -0.365 0.000 2.398 569 N HA -0.010 4.729 4.740 -0.002 0.000 0.188 569 N C 0.157 175.508 175.510 -0.265 0.000 1.122 569 N CA 0.152 52.816 53.050 -0.644 0.000 0.866 569 N CB -0.417 37.817 38.487 -0.422 0.000 0.970 569 N HN 0.135 nan 8.380 nan 0.000 0.462 570 V N 1.572 121.445 119.914 -0.070 0.000 2.370 570 V HA 0.236 4.355 4.120 -0.002 0.000 0.283 570 V C 0.262 176.424 176.094 0.113 0.000 1.023 570 V CA -1.067 61.245 62.300 0.020 0.000 0.857 570 V CB 1.161 32.993 31.823 0.015 0.000 0.985 570 V HN 0.326 nan 8.190 nan 0.000 0.443 571 K N 5.534 125.992 120.400 0.096 0.000 2.095 571 K HA 0.745 5.064 4.320 -0.002 0.000 0.252 571 K C -2.786 173.874 176.600 0.100 0.000 0.977 571 K CA -1.807 54.567 56.287 0.144 0.000 0.900 571 K CB 1.032 33.627 32.500 0.158 0.000 1.060 571 K HN 0.319 nan 8.250 nan 0.000 0.449 572 P HA -0.012 nan 4.420 nan 0.000 0.274 572 P C -0.789 176.582 177.300 0.118 0.000 1.246 572 P CA -0.358 62.795 63.100 0.087 0.000 0.795 572 P CB 0.362 32.205 31.700 0.239 0.000 1.006 573 D N 0.281 120.730 120.400 0.082 0.000 2.583 573 D HA -0.080 4.559 4.640 -0.002 0.000 0.232 573 D C 1.689 178.101 176.300 0.187 0.000 1.128 573 D CA 0.885 54.955 54.000 0.117 0.000 0.859 573 D CB 0.755 41.616 40.800 0.101 0.000 1.169 573 D HN 0.500 nan 8.370 nan 0.000 0.481 574 G N 4.550 113.454 108.800 0.173 0.000 2.556 574 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.220 574 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.220 574 G C 1.344 176.443 174.900 0.331 0.000 1.156 574 G CA 0.473 45.708 45.100 0.225 0.000 0.766 574 G HN 0.572 nan 8.290 nan 0.000 0.583 575 N N -0.787 118.103 118.700 0.316 0.000 2.520 575 N HA -0.023 4.716 4.740 -0.002 0.000 0.185 575 N C 0.225 175.855 175.510 0.199 0.000 1.068 575 N CA 0.309 53.574 53.050 0.359 0.000 0.911 575 N CB -0.005 38.667 38.487 0.310 0.000 0.961 575 N HN 0.555 nan 8.380 nan 0.000 0.446 576 W N 3.217 124.498 121.300 -0.032 0.000 2.417 576 W HA 0.353 5.012 4.660 -0.002 0.000 0.317 576 W C -2.233 174.026 176.519 -0.432 0.000 1.121 576 W CA -1.803 55.437 57.345 -0.175 0.000 1.208 576 W CB 1.034 30.406 29.460 -0.147 0.000 1.253 576 W HN -0.117 nan 8.180 nan 0.000 0.533 577 P HA 0.290 nan 4.420 nan 0.000 0.278 577 P C -1.469 175.424 177.300 -0.678 0.000 1.258 577 P CA -0.257 61.857 63.100 -1.643 0.000 0.811 577 P CB 1.787 32.390 31.700 -1.828 0.000 1.063 578 N N -1.715 116.711 118.700 -0.456 0.000 2.902 578 N HA 0.505 5.244 4.740 -0.002 0.000 0.268 578 N C 0.583 175.950 175.510 -0.238 0.000 1.450 578 N CA -0.894 51.985 53.050 -0.285 0.000 0.819 578 N CB -0.075 38.292 38.487 -0.199 0.000 1.540 578 N HN 0.165 nan 8.380 nan 0.000 0.545 579 A N -0.845 121.787 122.820 -0.313 0.000 2.015 579 A HA -0.095 4.224 4.320 -0.002 0.000 0.219 579 A C 0.935 178.414 177.584 -0.175 0.000 1.163 579 A CA 1.452 53.301 52.037 -0.313 0.000 0.646 579 A CB -0.696 17.943 19.000 -0.601 0.000 0.806 579 A HN 0.709 nan 8.150 nan 0.000 0.448 580 D N -0.810 119.512 120.400 -0.130 0.000 2.305 580 D HA 0.001 4.640 4.640 -0.002 0.000 0.206 580 D C -0.118 176.210 176.300 0.047 0.000 0.974 580 D CA 0.728 54.738 54.000 0.018 0.000 0.871 580 D CB 0.214 41.055 40.800 0.069 0.000 0.947 580 D HN 0.350 nan 8.370 nan 0.000 0.516 581 D N 0.368 120.787 120.400 0.031 0.000 2.552 581 D HA 0.206 4.845 4.640 -0.002 0.000 0.285 581 D C -2.731 173.597 176.300 0.046 0.000 1.206 581 D CA -1.947 52.126 54.000 0.122 0.000 0.826 581 D CB 1.354 42.282 40.800 0.213 0.000 1.179 581 D HN -0.103 nan 8.370 nan 0.000 0.508 582 P HA 0.074 nan 4.420 nan 0.000 0.274 582 P C 1.074 178.335 177.300 -0.065 0.000 1.260 582 P CA -0.249 62.822 63.100 -0.048 0.000 0.793 582 P CB 0.896 32.626 31.700 0.050 0.000 1.048 583 S N 0.782 116.400 115.700 -0.136 0.000 2.356 583 S HA -0.176 4.293 4.470 -0.002 0.000 0.223 583 S C 0.566 175.318 174.600 0.254 0.000 1.032 583 S CA 1.273 59.432 58.200 -0.069 0.000 1.005 583 S CB -1.322 61.934 63.200 0.093 0.000 0.867 583 S HN 0.515 nan 8.310 nan 0.000 0.449 584 N N 1.110 119.956 118.700 0.243 0.000 2.707 584 N HA -0.185 4.554 4.740 -0.002 0.000 0.253 584 N C 0.616 176.290 175.510 0.274 0.000 0.998 584 N CA 1.160 54.357 53.050 0.244 0.000 0.751 584 N CB -2.113 36.497 38.487 0.205 0.000 0.920 584 N HN 0.896 nan 8.380 nan 0.000 0.539 585 G N -0.950 108.052 108.800 0.337 0.000 2.176 585 G HA2 -0.350 3.609 3.960 -0.002 0.000 0.252 585 G HA3 -0.350 3.609 3.960 -0.002 0.000 0.252 585 G C 0.579 175.667 174.900 0.314 0.000 1.024 585 G CA 0.808 46.111 45.100 0.338 0.000 0.755 585 G HN 0.585 nan 8.290 nan 0.000 0.507 586 Q N -2.161 117.873 119.800 0.391 0.000 2.369 586 Q HA 0.251 4.590 4.340 -0.002 0.000 0.254 586 Q C 0.621 176.973 176.000 0.588 0.000 0.858 586 Q CA -0.312 55.741 55.803 0.417 0.000 0.961 586 Q CB 0.810 29.805 28.738 0.428 0.000 1.119 586 Q HN 0.488 nan 8.270 nan 0.000 0.538 587 Y N 2.868 123.357 120.300 0.316 0.000 2.309 587 Y HA 0.043 4.592 4.550 -0.002 0.000 0.327 587 Y C 0.854 176.761 175.900 0.013 0.000 1.172 587 Y CA -0.782 57.327 58.100 0.015 0.000 1.280 587 Y CB 0.639 38.625 38.460 -0.790 0.000 1.234 587 Y HN 0.151 nan 8.280 nan 0.000 0.512 588 N N 2.738 121.145 118.700 -0.488 0.000 2.336 588 N HA -0.098 4.641 4.740 -0.002 0.000 0.189 588 N C -0.127 175.101 175.510 -0.470 0.000 1.113 588 N CA -0.054 52.629 53.050 -0.612 0.000 0.858 588 N CB -0.736 37.088 38.487 -1.104 0.000 0.970 588 N HN 0.776 nan 8.380 nan 0.000 0.471 589 W N 1.743 122.530 121.300 -0.855 0.000 6.727 589 W HA -0.293 4.366 4.660 -0.002 0.000 0.393 589 W C 0.013 176.243 176.519 -0.482 0.000 1.441 589 W CA 0.867 57.940 57.345 -0.454 0.000 1.098 589 W CB -2.311 27.287 29.460 0.230 0.000 2.583 589 W HN 0.222 nan 8.180 nan 0.000 1.634 590 K N -2.166 117.938 120.400 -0.493 0.000 3.167 590 K HA -0.240 4.079 4.320 -0.002 0.000 0.272 590 K C 0.367 176.737 176.600 -0.382 0.000 1.137 590 K CA 1.131 57.173 56.287 -0.407 0.000 0.800 590 K CB -1.620 30.595 32.500 -0.475 0.000 1.253 590 K HN 0.436 nan 8.250 nan 0.000 0.497 591 T N -2.201 112.137 114.554 -0.360 0.000 2.627 591 T HA 0.342 4.691 4.350 -0.002 0.000 0.294 591 T C -1.229 173.211 174.700 -0.432 0.000 1.230 591 T CA -0.759 61.095 62.100 -0.410 0.000 1.084 591 T CB 0.364 69.007 68.868 -0.375 0.000 1.693 591 T HN 0.099 nan 8.240 nan 0.000 0.465 592 Y N 2.853 122.834 120.300 -0.531 0.000 2.895 592 Y HA 0.113 4.662 4.550 -0.002 0.000 0.334 592 Y C 1.447 177.168 175.900 -0.298 0.000 1.261 592 Y CA 0.552 58.308 58.100 -0.573 0.000 1.560 592 Y CB -0.100 37.919 38.460 -0.735 0.000 1.253 592 Y HN 0.394 nan 8.280 nan 0.000 0.582 593 H N 6.393 125.535 119.070 0.119 0.000 3.107 593 H HA -0.036 4.519 4.556 -0.002 0.000 0.301 593 H C -1.460 173.945 175.328 0.128 0.000 0.981 593 H CA -1.004 55.177 56.048 0.222 0.000 1.443 593 H CB 0.673 30.727 29.762 0.487 0.000 1.479 593 H HN 0.512 nan 8.280 nan 0.000 0.564 594 P HA -0.146 nan 4.420 nan 0.000 0.222 594 P C 0.911 178.278 177.300 0.111 0.000 1.142 594 P CA 1.194 64.418 63.100 0.207 0.000 0.788 594 P CB 0.349 32.286 31.700 0.395 0.000 0.767 595 Q N -1.216 118.592 119.800 0.013 0.000 2.432 595 Q HA 0.052 4.391 4.340 -0.002 0.000 0.205 595 Q C 0.723 176.739 176.000 0.026 0.000 0.945 595 Q CA 0.061 55.738 55.803 -0.210 0.000 0.924 595 Q CB -0.549 27.960 28.738 -0.382 0.000 1.016 595 Q HN 0.107 nan 8.270 nan 0.000 0.503 596 V N 1.550 121.461 119.914 -0.006 0.000 2.617 596 V HA -0.059 4.060 4.120 -0.002 0.000 0.304 596 V C -0.077 175.887 176.094 -0.217 0.000 1.040 596 V CA 0.128 62.324 62.300 -0.174 0.000 1.149 596 V CB 0.215 31.616 31.823 -0.702 0.000 0.914 596 V HN 0.300 nan 8.190 nan 0.000 0.487 597 L N 8.248 129.405 121.223 -0.110 0.000 2.454 597 L HA 0.225 4.565 4.340 -0.002 0.000 0.284 597 L C 0.080 176.830 176.870 -0.199 0.000 1.139 597 L CA -0.138 54.622 54.840 -0.133 0.000 0.911 597 L CB 0.665 42.693 42.059 -0.051 0.000 1.262 597 L HN 0.702 nan 8.230 nan 0.000 0.453 598 V N 0.249 120.000 119.914 -0.272 0.000 2.567 598 V HA 0.386 4.505 4.120 -0.002 0.000 0.289 598 V C 0.630 176.634 176.094 -0.151 0.000 1.049 598 V CA -0.598 61.538 62.300 -0.272 0.000 0.969 598 V CB 1.286 32.880 31.823 -0.381 0.000 0.995 598 V HN 0.550 nan 8.190 nan 0.000 0.471 599 T N 3.674 118.161 114.554 -0.112 0.000 2.888 599 T HA 0.052 4.401 4.350 -0.002 0.000 0.301 599 T C 0.095 174.786 174.700 -0.015 0.000 1.001 599 T CA 0.310 62.378 62.100 -0.053 0.000 1.147 599 T CB 0.058 68.894 68.868 -0.052 0.000 0.931 599 T HN 0.974 nan 8.240 nan 0.000 0.541 600 D N 2.474 122.892 120.400 0.030 0.000 2.531 600 D HA -0.026 4.613 4.640 -0.002 0.000 0.239 600 D C 0.833 177.155 176.300 0.037 0.000 1.144 600 D CA 0.464 54.503 54.000 0.066 0.000 0.869 600 D CB 0.576 41.497 40.800 0.202 0.000 1.160 600 D HN 0.510 nan 8.370 nan 0.000 0.484 601 M N 3.093 122.684 119.600 -0.015 0.000 2.516 601 M HA 0.038 4.517 4.480 -0.002 0.000 0.259 601 M C 1.749 177.975 176.300 -0.122 0.000 1.146 601 M CA 0.297 55.572 55.300 -0.041 0.000 1.122 601 M CB 0.424 32.992 32.600 -0.053 0.000 1.341 601 M HN 0.244 nan 8.290 nan 0.000 0.478 602 R N -0.797 119.575 120.500 -0.212 0.000 2.140 602 R HA 0.038 4.377 4.340 -0.002 0.000 0.213 602 R C -0.370 175.526 176.300 -0.673 0.000 1.059 602 R CA 0.769 56.574 56.100 -0.492 0.000 1.000 602 R CB 0.233 30.126 30.300 -0.678 0.000 0.910 602 R HN 0.176 nan 8.270 nan 0.000 0.455 603 Y N 1.870 122.129 120.300 -0.069 0.000 2.332 603 Y HA 0.166 4.715 4.550 -0.002 0.000 0.326 603 Y C -0.264 175.648 175.900 0.020 0.000 0.978 603 Y CA -1.748 56.305 58.100 -0.079 0.000 1.205 603 Y CB 0.959 39.241 38.460 -0.296 0.000 1.131 603 Y HN 0.038 nan 8.280 nan 0.000 0.462 604 E N 2.237 122.522 120.200 0.142 0.000 2.398 604 E HA 0.062 4.411 4.350 -0.002 0.000 0.263 604 E C -0.458 176.234 176.600 0.154 0.000 1.046 604 E CA -0.250 56.224 56.400 0.122 0.000 0.908 604 E CB 0.252 30.005 29.700 0.087 0.000 0.963 604 E HN 0.835 nan 8.360 nan 0.000 0.431 605 N N 1.224 119.996 118.700 0.120 0.000 2.714 605 N HA -0.287 4.452 4.740 -0.002 0.000 0.252 605 N C -0.257 175.338 175.510 0.141 0.000 1.014 605 N CA 0.758 53.867 53.050 0.099 0.000 0.735 605 N CB -0.983 37.548 38.487 0.075 0.000 0.924 605 N HN 0.707 nan 8.380 nan 0.000 0.540 606 H N -0.864 118.235 119.070 0.049 0.000 3.400 606 H HA 0.378 4.933 4.556 -0.002 0.000 0.251 606 H C 0.992 176.335 175.328 0.024 0.000 1.040 606 H CA 1.299 57.370 56.048 0.039 0.000 1.175 606 H CB 0.930 30.743 29.762 0.085 0.000 1.487 606 H HN 0.469 nan 8.280 nan 0.000 0.505 607 G N 0.105 108.907 108.800 0.004 0.000 2.280 607 G HA2 -0.014 3.945 3.960 -0.002 0.000 0.277 607 G HA3 -0.014 3.945 3.960 -0.002 0.000 0.277 607 G C -1.383 173.516 174.900 -0.002 0.000 1.288 607 G CA -0.759 44.310 45.100 -0.050 0.000 1.075 607 G HN 0.272 nan 8.290 nan 0.000 0.480 608 R N 0.325 120.813 120.500 -0.020 0.000 2.664 608 R HA 0.700 5.039 4.340 -0.002 0.000 0.286 608 R C -0.834 175.457 176.300 -0.015 0.000 0.967 608 R CA -0.792 55.293 56.100 -0.024 0.000 0.933 608 R CB 1.917 32.190 30.300 -0.044 0.000 1.146 608 R HN 0.531 nan 8.270 nan 0.000 0.468 609 E N 1.622 121.790 120.200 -0.053 0.000 2.356 609 E HA 0.320 4.669 4.350 -0.002 0.000 0.275 609 E C -2.710 173.757 176.600 -0.221 0.000 0.904 609 E CA -2.307 54.035 56.400 -0.097 0.000 0.757 609 E CB 2.067 31.749 29.700 -0.030 0.000 1.232 609 E HN 0.250 nan 8.360 nan 0.000 0.442 610 P HA 0.087 nan 4.420 nan 0.000 0.271 610 P C 0.739 177.865 177.300 -0.290 0.000 1.216 610 P CA -0.219 62.690 63.100 -0.319 0.000 0.776 610 P CB 0.460 31.960 31.700 -0.334 0.000 0.881 611 M N 4.521 123.966 119.600 -0.258 0.000 2.346 611 M HA -0.125 4.354 4.480 -0.002 0.000 0.263 611 M C 1.575 177.763 176.300 -0.188 0.000 1.064 611 M CA 1.484 56.623 55.300 -0.270 0.000 1.083 611 M CB -1.253 31.123 32.600 -0.373 0.000 1.399 611 M HN 0.144 nan 8.290 nan 0.000 0.435 612 V N 0.091 119.928 119.914 -0.128 0.000 2.469 612 V HA -0.286 3.833 4.120 -0.002 0.000 0.251 612 V C 2.194 178.164 176.094 -0.206 0.000 1.064 612 V CA 2.614 64.866 62.300 -0.080 0.000 1.066 612 V CB -0.968 30.855 31.823 -0.000 0.000 0.667 612 V HN 0.816 nan 8.190 nan 0.000 0.461 613 T N -0.838 113.503 114.554 -0.355 0.000 2.867 613 T HA -0.204 4.145 4.350 -0.002 0.000 0.268 613 T C 1.250 175.855 174.700 -0.159 0.000 1.057 613 T CA 1.511 63.427 62.100 -0.307 0.000 1.136 613 T CB -0.252 68.466 68.868 -0.251 0.000 0.874 613 T HN 0.799 nan 8.240 nan 0.000 0.466 614 Q N -0.491 119.205 119.800 -0.174 0.000 2.074 614 Q HA 0.387 4.726 4.340 -0.002 0.000 0.265 614 Q C 1.563 177.448 176.000 -0.191 0.000 0.855 614 Q CA -0.599 55.093 55.803 -0.185 0.000 1.083 614 Q CB 0.138 28.772 28.738 -0.175 0.000 1.260 614 Q HN 0.330 nan 8.270 nan 0.000 0.427 615 R N 1.572 121.964 120.500 -0.180 0.000 2.113 615 R HA -0.134 4.205 4.340 -0.002 0.000 0.244 615 R C 0.624 176.805 176.300 -0.198 0.000 1.142 615 R CA 2.058 58.041 56.100 -0.195 0.000 0.953 615 R CB 0.057 30.213 30.300 -0.240 0.000 0.860 615 R HN 0.257 nan 8.270 nan 0.000 0.438 616 N N 0.315 118.870 118.700 -0.241 0.000 2.575 616 N HA -0.055 4.684 4.740 -0.002 0.000 0.192 616 N C 0.974 176.285 175.510 -0.330 0.000 1.200 616 N CA 0.549 53.438 53.050 -0.268 0.000 0.897 616 N CB 0.221 38.534 38.487 -0.290 0.000 0.990 616 N HN 0.420 nan 8.380 nan 0.000 0.449 617 I N -1.002 119.397 120.570 -0.285 0.000 4.154 617 I HA -0.024 4.145 4.170 -0.002 0.000 0.334 617 I C 1.827 177.870 176.117 -0.122 0.000 1.371 617 I CA -0.019 61.124 61.300 -0.262 0.000 1.110 617 I CB 0.116 37.894 38.000 -0.370 0.000 1.085 617 I HN 0.150 nan 8.210 nan 0.000 0.398 618 H N 1.638 120.607 119.070 -0.168 0.000 2.290 618 H HA -0.160 4.395 4.556 -0.002 0.000 0.298 618 H C 1.983 177.175 175.328 -0.226 0.000 1.087 618 H CA 2.180 58.130 56.048 -0.162 0.000 1.291 618 H CB 0.321 30.033 29.762 -0.084 0.000 1.369 618 H HN 0.418 nan 8.280 nan 0.000 0.492 619 A N 0.380 123.154 122.820 -0.078 0.000 1.933 619 A HA -0.217 4.102 4.320 -0.002 0.000 0.218 619 A C 2.405 179.888 177.584 -0.168 0.000 1.175 619 A CA 1.426 53.390 52.037 -0.122 0.000 0.628 619 A CB -1.334 17.676 19.000 0.017 0.000 0.814 619 A HN 0.669 nan 8.150 nan 0.000 0.444 620 Y N 1.147 121.336 120.300 -0.185 0.000 2.053 620 Y HA -0.274 4.275 4.550 -0.002 0.000 0.277 620 Y C 2.734 178.413 175.900 -0.369 0.000 1.159 620 Y CA 2.700 60.738 58.100 -0.103 0.000 1.125 620 Y CB -0.699 37.772 38.460 0.017 0.000 0.969 620 Y HN 0.313 nan 8.280 nan 0.000 0.492 621 T N 1.398 115.845 114.554 -0.178 0.000 2.699 621 T HA -0.245 4.104 4.350 -0.002 0.000 0.268 621 T C 1.747 175.870 174.700 -0.960 0.000 1.036 621 T CA 1.639 63.449 62.100 -0.484 0.000 1.147 621 T CB -0.724 67.848 68.868 -0.493 0.000 0.862 621 T HN 0.381 nan 8.240 nan 0.000 0.446 622 L N 0.926 121.433 121.223 -1.193 0.000 2.017 622 L HA -0.053 4.286 4.340 -0.002 0.000 0.208 622 L C 2.472 178.931 176.870 -0.684 0.000 1.073 622 L CA 1.579 55.637 54.840 -1.302 0.000 0.745 622 L CB -1.146 40.331 42.059 -0.970 0.000 0.894 622 L HN 0.299 nan 8.230 nan 0.000 0.432 623 C N -0.019 118.948 119.300 -0.555 0.000 2.432 623 C HA -0.174 4.285 4.460 -0.002 0.000 0.277 623 C C 2.677 177.143 174.990 -0.872 0.000 1.249 623 C CA 1.080 59.803 59.018 -0.491 0.000 1.725 623 C CB -1.021 26.535 27.740 -0.307 0.000 2.028 623 C HN 0.717 nan 8.230 nan 0.000 0.477 624 E N 1.011 120.283 120.200 -1.548 0.000 2.086 624 E HA -0.243 4.106 4.350 -0.002 0.000 0.200 624 E C 2.042 178.253 176.600 -0.647 0.000 1.012 624 E CA 1.973 57.373 56.400 -1.666 0.000 0.812 624 E CB -0.049 28.909 29.700 -1.236 0.000 0.743 624 E HN 0.636 nan 8.360 nan 0.000 0.453 625 S N -0.439 115.010 115.700 -0.419 0.000 2.395 625 S HA -0.072 4.398 4.470 -0.002 0.000 0.225 625 S C 1.991 176.672 174.600 0.135 0.000 1.027 625 S CA 1.218 59.400 58.200 -0.031 0.000 0.965 625 S CB -0.145 63.140 63.200 0.142 0.000 0.812 625 S HN 0.316 nan 8.310 nan 0.000 0.482 626 T N 2.068 116.695 114.554 0.121 0.000 2.777 626 T HA -0.079 4.270 4.350 -0.002 0.000 0.266 626 T C 1.923 176.513 174.700 -0.184 0.000 1.040 626 T CA 1.414 63.506 62.100 -0.012 0.000 1.141 626 T CB -0.200 68.693 68.868 0.041 0.000 0.868 626 T HN 0.240 nan 8.240 nan 0.000 0.444 627 R N 1.731 122.133 120.500 -0.164 0.000 2.115 627 R HA 0.013 4.352 4.340 -0.002 0.000 0.230 627 R C 2.080 178.351 176.300 -0.048 0.000 1.111 627 R CA 1.685 57.727 56.100 -0.097 0.000 0.976 627 R CB -0.152 30.137 30.300 -0.017 0.000 0.870 627 R HN 0.466 nan 8.270 nan 0.000 0.445 628 K N -1.165 119.209 120.400 -0.045 0.000 2.306 628 K HA 0.114 4.433 4.320 -0.002 0.000 0.200 628 K C 1.363 177.973 176.600 0.017 0.000 1.083 628 K CA 0.652 56.937 56.287 -0.004 0.000 0.959 628 K CB 0.217 32.719 32.500 0.003 0.000 0.994 628 K HN -0.000 nan 8.250 nan 0.000 0.492 629 E N 0.268 120.489 120.200 0.035 0.000 2.216 629 E HA 0.131 4.480 4.350 -0.002 0.000 0.192 629 E C 1.532 178.147 176.600 0.025 0.000 0.973 629 E CA 0.962 57.397 56.400 0.057 0.000 0.851 629 E CB 0.269 30.043 29.700 0.123 0.000 0.804 629 E HN 0.473 nan 8.360 nan 0.000 0.477 630 G N 0.629 109.407 108.800 -0.037 0.000 2.654 630 G HA2 -0.132 3.827 3.960 -0.002 0.000 0.215 630 G HA3 -0.132 3.827 3.960 -0.002 0.000 0.215 630 G C 1.514 176.445 174.900 0.053 0.000 1.310 630 G CA 0.248 45.273 45.100 -0.125 0.000 0.866 630 G HN 0.112 nan 8.290 nan 0.000 0.558 631 I N 0.295 120.857 120.570 -0.014 0.000 2.286 631 I HA -0.127 4.043 4.170 -0.002 0.000 0.248 631 I C 2.664 178.779 176.117 -0.003 0.000 1.115 631 I CA 0.497 61.814 61.300 0.029 0.000 1.392 631 I CB -0.009 37.974 38.000 -0.028 0.000 1.065 631 I HN 0.048 nan 8.210 nan 0.000 0.418 632 V N -0.034 119.881 119.914 0.002 0.000 2.426 632 V HA -0.123 3.996 4.120 -0.002 0.000 0.242 632 V C 2.246 178.348 176.094 0.014 0.000 1.036 632 V CA 1.353 63.653 62.300 0.000 0.000 1.044 632 V CB -0.388 31.435 31.823 0.000 0.000 0.688 632 V HN 0.329 nan 8.190 nan 0.000 0.462 633 E N 0.817 121.034 120.200 0.028 0.000 2.106 633 E HA -0.124 4.225 4.350 -0.002 0.000 0.192 633 E C 0.852 177.480 176.600 0.047 0.000 0.984 633 E CA 1.046 57.467 56.400 0.035 0.000 0.806 633 E CB -0.090 29.633 29.700 0.038 0.000 0.750 633 E HN 0.570 nan 8.360 nan 0.000 0.458 634 N N 0.444 119.192 118.700 0.080 0.000 2.378 634 N HA 0.135 4.874 4.740 -0.002 0.000 0.243 634 N C 0.650 176.200 175.510 0.067 0.000 1.137 634 N CA 0.128 53.246 53.050 0.114 0.000 0.862 634 N CB 0.976 39.596 38.487 0.222 0.000 1.116 634 N HN 0.045 nan 8.380 nan 0.000 0.499 635 A N 0.615 123.438 122.820 0.005 0.000 2.076 635 A HA -0.168 4.151 4.320 -0.002 0.000 0.220 635 A C 1.720 179.275 177.584 -0.050 0.000 1.160 635 A CA 1.215 53.217 52.037 -0.058 0.000 0.653 635 A CB -0.026 18.951 19.000 -0.037 0.000 0.801 635 A HN 0.101 nan 8.150 nan 0.000 0.455 636 D N -0.653 119.746 120.400 -0.003 0.000 2.224 636 D HA -0.088 4.551 4.640 -0.002 0.000 0.205 636 D C 2.168 178.482 176.300 0.023 0.000 0.965 636 D CA 1.818 55.824 54.000 0.009 0.000 0.852 636 D CB -0.247 40.567 40.800 0.023 0.000 0.947 636 D HN 0.661 nan 8.370 nan 0.000 0.494 637 T N -1.750 112.835 114.554 0.052 0.000 3.054 637 T HA 0.091 4.440 4.350 -0.002 0.000 0.259 637 T C 1.305 176.054 174.700 0.082 0.000 1.092 637 T CA -0.188 61.979 62.100 0.112 0.000 1.121 637 T CB -0.063 68.930 68.868 0.209 0.000 0.912 637 T HN -0.061 nan 8.240 nan 0.000 0.489 638 L N 2.654 123.820 121.223 -0.095 0.000 2.492 638 L HA 0.177 4.516 4.340 -0.002 0.000 0.280 638 L C 2.095 178.955 176.870 -0.017 0.000 1.240 638 L CA 0.347 55.082 54.840 -0.174 0.000 0.831 638 L CB 0.589 42.444 42.059 -0.340 0.000 1.100 638 L HN 0.411 nan 8.230 nan 0.000 0.505 639 T N -1.639 112.939 114.554 0.040 0.000 3.535 639 T HA 0.012 4.361 4.350 -0.002 0.000 0.223 639 T C 1.536 176.197 174.700 -0.065 0.000 0.933 639 T CA 0.108 62.232 62.100 0.040 0.000 1.445 639 T CB -0.177 68.775 68.868 0.141 0.000 1.286 639 T HN 0.474 nan 8.240 nan 0.000 0.436 640 K N -0.053 120.263 120.400 -0.141 0.000 2.167 640 K HA 0.195 4.515 4.320 -0.002 0.000 0.203 640 K C -0.601 175.671 176.600 -0.545 0.000 1.052 640 K CA 0.556 56.602 56.287 -0.401 0.000 0.956 640 K CB 0.042 32.168 32.500 -0.624 0.000 0.735 640 K HN 0.392 nan 8.250 nan 0.000 0.451 641 F N -0.098 119.833 119.950 -0.031 0.000 2.536 641 F HA 0.380 4.905 4.527 -0.002 0.000 0.322 641 F C 0.887 176.674 175.800 -0.022 0.000 1.144 641 F CA -0.967 57.042 58.000 0.014 0.000 0.924 641 F CB 1.680 40.762 39.000 0.136 0.000 1.181 641 F HN -0.237 nan 8.300 nan 0.000 0.438 642 R N 1.513 122.078 120.500 0.108 0.000 2.093 642 R HA 0.071 4.410 4.340 -0.002 0.000 0.224 642 R C 1.065 177.368 176.300 0.004 0.000 1.101 642 R CA 0.539 56.650 56.100 0.018 0.000 0.979 642 R CB 0.193 30.494 30.300 0.001 0.000 0.877 642 R HN 0.613 nan 8.270 nan 0.000 0.441 643 R N 0.535 121.062 120.500 0.045 0.000 2.539 643 R HA 0.080 4.419 4.340 -0.002 0.000 0.275 643 R C -0.798 175.496 176.300 -0.011 0.000 1.077 643 R CA 0.209 56.307 56.100 -0.003 0.000 1.097 643 R CB 1.149 31.435 30.300 -0.022 0.000 1.018 643 R HN 0.040 nan 8.270 nan 0.000 0.483 644 S N 1.403 117.091 115.700 -0.020 0.000 2.840 644 S HA 0.586 5.055 4.470 -0.002 0.000 0.307 644 S C -1.994 172.678 174.600 0.119 0.000 1.180 644 S CA -0.604 57.621 58.200 0.042 0.000 0.846 644 S CB 1.035 64.248 63.200 0.022 0.000 1.233 644 S HN 0.534 nan 8.310 nan 0.000 0.548 645 Y N -0.338 119.966 120.300 0.006 0.000 2.705 645 Y HA 0.688 5.237 4.550 -0.002 0.000 0.332 645 Y C -1.614 174.326 175.900 0.067 0.000 1.221 645 Y CA -1.055 57.030 58.100 -0.024 0.000 1.059 645 Y CB 1.255 39.633 38.460 -0.138 0.000 1.298 645 Y HN 0.652 nan 8.280 nan 0.000 0.459 646 I N 4.080 124.396 120.570 -0.424 0.000 2.499 646 I HA 0.342 4.511 4.170 -0.002 0.000 0.288 646 I C -1.360 174.523 176.117 -0.390 0.000 1.048 646 I CA -0.835 60.293 61.300 -0.285 0.000 1.062 646 I CB 1.810 39.656 38.000 -0.256 0.000 1.238 646 I HN 0.276 nan 8.210 nan 0.000 0.426 647 I N 4.593 125.024 120.570 -0.232 0.000 2.307 647 I HA 0.310 4.479 4.170 -0.002 0.000 0.289 647 I C 0.328 176.484 176.117 0.066 0.000 1.021 647 I CA -0.023 61.117 61.300 -0.266 0.000 1.224 647 I CB 1.044 38.655 38.000 -0.649 0.000 1.376 647 I HN 0.463 nan 8.210 nan 0.000 0.470 648 S N 5.632 121.364 115.700 0.053 0.000 2.578 648 S HA 0.478 4.947 4.470 -0.002 0.000 0.301 648 S C 1.046 175.627 174.600 -0.031 0.000 1.091 648 S CA -0.550 57.711 58.200 0.102 0.000 1.032 648 S CB 1.823 65.026 63.200 0.005 0.000 1.064 648 S HN 0.688 nan 8.310 nan 0.000 0.508 649 R N 1.788 122.152 120.500 -0.226 0.000 2.173 649 R HA 0.252 4.591 4.340 -0.002 0.000 0.208 649 R C 0.785 176.872 176.300 -0.354 0.000 1.035 649 R CA 0.698 56.330 56.100 -0.780 0.000 1.004 649 R CB 0.016 29.744 30.300 -0.953 0.000 0.917 649 R HN 0.684 nan 8.270 nan 0.000 0.462 650 G N -1.444 107.317 108.800 -0.064 0.000 2.672 650 G HA2 0.588 4.548 3.960 -0.002 0.000 0.292 650 G HA3 0.588 4.548 3.960 -0.002 0.000 0.292 650 G C -1.115 173.896 174.900 0.184 0.000 1.375 650 G CA -0.206 44.972 45.100 0.130 0.000 0.890 650 G HN 0.316 nan 8.290 nan 0.000 0.476 651 G N -1.501 107.436 108.800 0.228 0.000 2.341 651 G HA2 0.512 4.471 3.960 -0.002 0.000 0.299 651 G HA3 0.512 4.471 3.960 -0.002 0.000 0.299 651 G C -2.225 172.527 174.900 -0.246 0.000 1.274 651 G CA -0.507 44.672 45.100 0.132 0.000 0.853 651 G HN 0.968 nan 8.290 nan 0.000 0.493 652 Y N 0.102 120.235 120.300 -0.277 0.000 2.621 652 Y HA 0.698 5.247 4.550 -0.002 0.000 0.334 652 Y C 0.666 176.336 175.900 -0.383 0.000 1.074 652 Y CA -2.073 55.774 58.100 -0.423 0.000 1.149 652 Y CB 1.082 39.435 38.460 -0.179 0.000 1.302 652 Y HN 0.491 nan 8.280 nan 0.000 0.501 653 I N 2.909 123.005 120.570 -0.790 0.000 2.996 653 I HA 0.007 4.176 4.170 -0.002 0.000 0.311 653 I C 1.375 177.260 176.117 -0.388 0.000 1.219 653 I CA 2.124 63.041 61.300 -0.638 0.000 1.452 653 I CB -0.627 36.819 38.000 -0.924 0.000 1.319 653 I HN 0.912 nan 8.210 nan 0.000 0.564 654 G N 5.131 113.771 108.800 -0.267 0.000 2.213 654 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.236 654 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.236 654 G C 1.082 175.873 174.900 -0.181 0.000 0.991 654 G CA 0.293 45.326 45.100 -0.111 0.000 0.629 654 G HN 0.649 nan 8.290 nan 0.000 0.517 655 N N 1.009 119.668 118.700 -0.069 0.000 2.519 655 N HA -0.120 4.619 4.740 -0.002 0.000 0.186 655 N C 2.306 177.548 175.510 -0.447 0.000 1.062 655 N CA 1.454 54.393 53.050 -0.185 0.000 0.910 655 N CB -0.012 38.618 38.487 0.238 0.000 0.958 655 N HN 0.775 nan 8.380 nan 0.000 0.445 656 Q N -0.343 119.180 119.800 -0.461 0.000 2.436 656 Q HA -0.133 4.206 4.340 -0.002 0.000 0.209 656 Q C 0.254 175.839 176.000 -0.692 0.000 0.965 656 Q CA 1.267 56.761 55.803 -0.516 0.000 0.910 656 Q CB -0.828 27.614 28.738 -0.494 0.000 0.980 656 Q HN 0.543 nan 8.270 nan 0.000 0.491 657 H N -0.935 117.704 119.070 -0.719 0.000 2.543 657 H HA 0.145 4.700 4.556 -0.002 0.000 0.269 657 H C 0.153 175.114 175.328 -0.612 0.000 1.005 657 H CA 0.508 56.154 56.048 -0.669 0.000 1.146 657 H CB 0.138 29.503 29.762 -0.661 0.000 1.353 657 H HN 0.208 nan 8.280 nan 0.000 0.595 658 F N -1.660 118.151 119.950 -0.232 0.000 2.577 658 F HA 0.487 5.013 4.527 -0.002 0.000 0.276 658 F C 1.536 177.078 175.800 -0.429 0.000 1.032 658 F CA 0.507 58.334 58.000 -0.288 0.000 1.297 658 F CB 0.266 39.075 39.000 -0.319 0.000 1.061 658 F HN 0.179 nan 8.300 nan 0.000 0.680 659 G N -0.735 107.838 108.800 -0.378 0.000 2.566 659 G HA2 0.418 4.377 3.960 -0.002 0.000 0.138 659 G HA3 0.418 4.377 3.960 -0.002 0.000 0.138 659 G C -0.585 173.991 174.900 -0.539 0.000 1.133 659 G CA -0.099 44.456 45.100 -0.909 0.000 1.037 659 G HN 0.440 nan 8.290 nan 0.000 0.491 660 G N -1.059 107.407 108.800 -0.558 0.000 3.075 660 G HA2 0.679 4.638 3.960 -0.002 0.000 0.253 660 G HA3 0.679 4.638 3.960 -0.002 0.000 0.253 660 G C -0.723 174.046 174.900 -0.218 0.000 1.353 660 G CA -0.660 44.314 45.100 -0.210 0.000 1.051 660 G HN 0.538 nan 8.290 nan 0.000 0.553 661 M N -0.253 119.243 119.600 -0.175 0.000 2.501 661 M HA 0.373 4.852 4.480 -0.002 0.000 0.293 661 M C -1.665 174.644 176.300 0.015 0.000 1.192 661 M CA -0.492 54.732 55.300 -0.127 0.000 0.886 661 M CB 2.143 34.607 32.600 -0.226 0.000 1.710 661 M HN 0.852 nan 8.290 nan 0.000 0.457 662 W N 1.544 122.762 121.300 -0.136 0.000 2.706 662 W HA 0.736 5.395 4.660 -0.002 0.000 0.346 662 W C -1.123 175.396 176.519 0.001 0.000 1.071 662 W CA -1.024 56.354 57.345 0.055 0.000 1.206 662 W CB 0.692 30.267 29.460 0.191 0.000 1.413 662 W HN 0.280 nan 8.180 nan 0.000 0.542 663 V N 6.215 126.103 119.914 -0.044 0.000 2.443 663 V HA 0.330 4.449 4.120 -0.002 0.000 0.326 663 V C 1.324 177.264 176.094 -0.257 0.000 1.580 663 V CA 0.489 62.694 62.300 -0.159 0.000 1.629 663 V CB -1.304 30.577 31.823 0.097 0.000 1.471 663 V HN 1.235 nan 8.190 nan 0.000 0.532 664 G N 2.417 110.498 108.800 -1.197 0.000 2.602 664 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.306 664 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.306 664 G C -0.114 174.787 174.900 0.001 0.000 1.301 664 G CA 0.350 44.774 45.100 -1.128 0.000 0.974 664 G HN 0.567 nan 8.290 nan 0.000 0.547 665 D N 2.491 123.025 120.400 0.223 0.000 2.494 665 D HA 0.315 4.954 4.640 -0.002 0.000 0.217 665 D C 0.965 177.355 176.300 0.150 0.000 1.153 665 D CA -0.066 54.097 54.000 0.270 0.000 0.954 665 D CB -0.111 40.875 40.800 0.310 0.000 1.034 665 D HN 0.570 nan 8.370 nan 0.000 0.518 666 N N -0.103 118.657 118.700 0.100 0.000 2.364 666 N HA 0.225 4.964 4.740 -0.002 0.000 0.264 666 N C -0.010 175.243 175.510 -0.429 0.000 1.263 666 N CA -0.495 52.362 53.050 -0.321 0.000 0.959 666 N CB 0.773 39.309 38.487 0.081 0.000 1.204 666 N HN 0.035 nan 8.380 nan 0.000 0.550 667 S N -2.602 112.386 115.700 -1.186 0.000 2.823 667 S HA 0.583 5.052 4.470 -0.002 0.000 0.316 667 S C -0.811 173.549 174.600 -0.401 0.000 1.116 667 S CA -0.680 57.085 58.200 -0.725 0.000 0.911 667 S CB 0.457 63.228 63.200 -0.714 0.000 1.276 667 S HN 0.590 nan 8.310 nan 0.000 0.565 668 T N 1.892 116.369 114.554 -0.127 0.000 3.368 668 T HA 0.472 4.821 4.350 -0.002 0.000 0.321 668 T C -0.348 174.306 174.700 -0.077 0.000 1.830 668 T CA -0.432 61.632 62.100 -0.060 0.000 1.494 668 T CB -0.343 68.366 68.868 -0.265 0.000 1.045 668 T HN 0.693 nan 8.240 nan 0.000 0.729 669 T N -2.437 112.223 114.554 0.178 0.000 2.865 669 T HA 0.459 4.808 4.350 -0.002 0.000 0.294 669 T C 1.318 176.080 174.700 0.103 0.000 1.119 669 T CA -0.661 61.541 62.100 0.170 0.000 1.007 669 T CB 1.586 70.636 68.868 0.305 0.000 1.225 669 T HN -0.088 nan 8.240 nan 0.000 0.515 670 S N 0.887 116.610 115.700 0.038 0.000 2.374 670 S HA -0.167 4.302 4.470 -0.002 0.000 0.227 670 S C 1.886 176.346 174.600 -0.233 0.000 1.037 670 S CA 1.968 60.099 58.200 -0.115 0.000 1.024 670 S CB -0.882 62.309 63.200 -0.016 0.000 0.861 670 S HN 0.809 nan 8.310 nan 0.000 0.456 671 N N -0.087 118.533 118.700 -0.133 0.000 2.094 671 N HA -0.164 4.575 4.740 -0.002 0.000 0.191 671 N C 1.397 176.685 175.510 -0.370 0.000 1.023 671 N CA 1.545 54.455 53.050 -0.233 0.000 0.857 671 N CB -0.256 38.120 38.487 -0.185 0.000 1.013 671 N HN 0.432 nan 8.380 nan 0.000 0.426 672 Y N 0.820 121.026 120.300 -0.157 0.000 2.439 672 Y HA 0.038 4.587 4.550 -0.002 0.000 0.292 672 Y C 1.959 177.790 175.900 -0.116 0.000 1.130 672 Y CA 0.455 58.510 58.100 -0.075 0.000 1.254 672 Y CB -0.024 38.477 38.460 0.068 0.000 1.000 672 Y HN 0.106 nan 8.280 nan 0.000 0.554 673 I N -0.415 120.015 120.570 -0.234 0.000 2.202 673 I HA -0.323 3.846 4.170 -0.002 0.000 0.242 673 I C 2.185 178.200 176.117 -0.169 0.000 1.091 673 I CA 1.275 62.342 61.300 -0.389 0.000 1.368 673 I CB -0.497 37.178 38.000 -0.543 0.000 1.058 673 I HN 0.238 nan 8.210 nan 0.000 0.410 674 Q N 0.374 120.054 119.800 -0.201 0.000 2.029 674 Q HA -0.291 4.048 4.340 -0.002 0.000 0.209 674 Q C 2.316 178.304 176.000 -0.019 0.000 0.999 674 Q CA 2.101 57.835 55.803 -0.116 0.000 0.857 674 Q CB -0.246 28.403 28.738 -0.149 0.000 0.926 674 Q HN 0.487 nan 8.270 nan 0.000 0.415 675 M N -0.312 119.247 119.600 -0.069 0.000 2.159 675 M HA -0.180 4.299 4.480 -0.002 0.000 0.263 675 M C 2.343 178.698 176.300 0.092 0.000 1.063 675 M CA 1.216 56.512 55.300 -0.006 0.000 1.110 675 M CB -0.227 32.316 32.600 -0.095 0.000 1.374 675 M HN 0.392 nan 8.290 nan 0.000 0.411 676 M N 0.683 120.359 119.600 0.127 0.000 2.086 676 M HA -0.213 4.266 4.480 -0.002 0.000 0.261 676 M C 1.909 178.265 176.300 0.093 0.000 1.067 676 M CA 1.918 57.325 55.300 0.179 0.000 1.116 676 M CB -0.212 32.537 32.600 0.249 0.000 1.348 676 M HN 0.187 nan 8.290 nan 0.000 0.407 677 I N 0.819 121.419 120.570 0.050 0.000 2.226 677 I HA -0.236 3.933 4.170 -0.002 0.000 0.245 677 I C 2.716 178.819 176.117 -0.024 0.000 1.100 677 I CA 1.307 62.591 61.300 -0.026 0.000 1.374 677 I CB -0.662 37.382 38.000 0.073 0.000 1.057 677 I HN 0.440 nan 8.210 nan 0.000 0.413 678 A N 0.906 123.756 122.820 0.050 0.000 1.897 678 A HA -0.182 4.137 4.320 -0.002 0.000 0.215 678 A C 2.025 179.645 177.584 0.059 0.000 1.181 678 A CA 1.873 53.956 52.037 0.076 0.000 0.620 678 A CB -0.974 18.096 19.000 0.116 0.000 0.821 678 A HN 0.471 nan 8.150 nan 0.000 0.443 679 N N 0.234 118.967 118.700 0.055 0.000 2.149 679 N HA -0.186 4.553 4.740 -0.002 0.000 0.188 679 N C 1.800 177.320 175.510 0.016 0.000 1.019 679 N CA 1.172 54.245 53.050 0.038 0.000 0.857 679 N CB -0.203 38.308 38.487 0.040 0.000 0.997 679 N HN 0.478 nan 8.380 nan 0.000 0.426 680 N N 1.277 119.974 118.700 -0.004 0.000 2.142 680 N HA -0.064 4.675 4.740 -0.002 0.000 0.186 680 N C 1.665 177.139 175.510 -0.060 0.000 1.023 680 N CA 0.908 53.932 53.050 -0.043 0.000 0.852 680 N CB 0.022 38.449 38.487 -0.100 0.000 0.998 680 N HN 0.231 nan 8.380 nan 0.000 0.424 681 I N 1.247 121.778 120.570 -0.065 0.000 2.179 681 I HA -0.248 3.921 4.170 -0.002 0.000 0.242 681 I C 1.860 178.006 176.117 0.048 0.000 1.088 681 I CA 0.901 62.190 61.300 -0.017 0.000 1.357 681 I CB -0.297 37.718 38.000 0.024 0.000 1.051 681 I HN 0.100 nan 8.210 nan 0.000 0.409 682 N N 0.224 118.968 118.700 0.074 0.000 2.270 682 N HA -0.096 4.643 4.740 -0.002 0.000 0.181 682 N C 1.853 177.428 175.510 0.109 0.000 1.016 682 N CA 1.159 54.281 53.050 0.120 0.000 0.870 682 N CB -0.142 38.421 38.487 0.127 0.000 0.979 682 N HN 0.236 nan 8.380 nan 0.000 0.431 683 M N 1.143 120.767 119.600 0.039 0.000 2.132 683 M HA -0.062 4.417 4.480 -0.002 0.000 0.263 683 M C 1.682 177.966 176.300 -0.027 0.000 1.065 683 M CA 0.907 56.193 55.300 -0.024 0.000 1.122 683 M CB -1.183 31.354 32.600 -0.106 0.000 1.365 683 M HN 0.180 nan 8.290 nan 0.000 0.411 684 N N 0.894 119.585 118.700 -0.015 0.000 2.036 684 N HA -0.195 4.544 4.740 -0.002 0.000 0.195 684 N C 1.664 177.187 175.510 0.021 0.000 1.037 684 N CA 2.072 55.111 53.050 -0.018 0.000 0.855 684 N CB -0.339 38.140 38.487 -0.014 0.000 1.033 684 N HN 0.515 nan 8.380 nan 0.000 0.423 685 M N -0.605 119.053 119.600 0.097 0.000 2.630 685 M HA 0.109 4.588 4.480 -0.002 0.000 0.254 685 M C 0.713 177.211 176.300 0.330 0.000 1.092 685 M CA 1.188 56.610 55.300 0.204 0.000 1.087 685 M CB 0.238 32.976 32.600 0.230 0.000 1.453 685 M HN -0.193 nan 8.290 nan 0.000 0.509 686 S N -0.257 115.551 115.700 0.179 0.000 2.582 686 S HA 0.208 4.677 4.470 -0.002 0.000 0.234 686 S C 0.470 174.952 174.600 -0.196 0.000 0.961 686 S CA -0.208 58.010 58.200 0.029 0.000 0.953 686 S CB -0.538 62.777 63.200 0.192 0.000 0.800 686 S HN 0.726 nan 8.310 nan 0.000 0.471 687 C N 1.618 120.809 119.300 -0.182 0.000 4.497 687 C HA -0.108 4.351 4.460 -0.002 0.000 0.292 687 C C -0.009 174.825 174.990 -0.259 0.000 1.366 687 C CA -0.131 58.718 59.018 -0.283 0.000 1.987 687 C CB -2.214 25.212 27.740 -0.524 0.000 1.241 687 C HN 0.588 nan 8.230 nan 0.000 0.788 688 L N 2.172 123.281 121.223 -0.189 0.000 2.433 688 L HA 0.368 4.707 4.340 -0.002 0.000 0.256 688 L C -1.098 175.681 176.870 -0.152 0.000 1.063 688 L CA -1.354 53.360 54.840 -0.210 0.000 0.922 688 L CB 1.268 43.143 42.059 -0.307 0.000 1.238 688 L HN -0.026 nan 8.230 nan 0.000 0.466 689 P HA -0.059 nan 4.420 nan 0.000 0.216 689 P C 0.816 178.112 177.300 -0.007 0.000 1.156 689 P CA 0.465 63.526 63.100 -0.065 0.000 0.855 689 P CB 0.998 32.654 31.700 -0.074 0.000 0.786 690 L N 1.220 122.442 121.223 -0.001 0.000 2.387 690 L HA 0.272 4.611 4.340 -0.002 0.000 0.267 690 L C -0.187 176.717 176.870 0.056 0.000 1.197 690 L CA -0.330 54.545 54.840 0.058 0.000 1.070 690 L CB -0.087 41.996 42.059 0.039 0.000 1.349 690 L HN -0.181 nan 8.230 nan 0.000 0.422 691 V N 2.856 122.835 119.914 0.109 0.000 3.130 691 V HA 1.022 5.141 4.120 -0.002 0.000 0.310 691 V C -0.172 176.094 176.094 0.287 0.000 1.158 691 V CA 0.126 62.500 62.300 0.123 0.000 1.029 691 V CB 2.293 34.117 31.823 0.000 0.000 1.057 691 V HN 0.609 nan 8.190 nan 0.000 0.436 692 G N 1.714 110.741 108.800 0.377 0.000 2.441 692 G HA2 0.544 4.503 3.960 -0.002 0.000 0.294 692 G HA3 0.544 4.503 3.960 -0.002 0.000 0.294 692 G C -1.444 173.734 174.900 0.464 0.000 1.393 692 G CA -0.073 45.274 45.100 0.412 0.000 0.796 692 G HN 0.968 nan 8.290 nan 0.000 0.494 693 S N -0.136 115.813 115.700 0.415 0.000 2.621 693 S HA 0.585 5.054 4.470 -0.002 0.000 0.302 693 S C -0.991 173.845 174.600 0.393 0.000 1.093 693 S CA -0.763 57.710 58.200 0.455 0.000 1.017 693 S CB 1.636 65.105 63.200 0.449 0.000 1.077 693 S HN 0.541 nan 8.310 nan 0.000 0.517 694 D N 2.081 122.717 120.400 0.393 0.000 2.472 694 D HA 0.089 4.728 4.640 -0.002 0.000 0.248 694 D C -0.011 176.299 176.300 0.017 0.000 1.174 694 D CA 0.183 54.313 54.000 0.216 0.000 0.883 694 D CB 0.156 41.139 40.800 0.305 0.000 1.149 694 D HN 0.212 nan 8.370 nan 0.000 0.488 695 I N 1.892 122.423 120.570 -0.064 0.000 2.452 695 I HA 0.195 4.365 4.170 -0.002 0.000 0.287 695 I C 1.772 177.569 176.117 -0.534 0.000 1.079 695 I CA 0.212 61.371 61.300 -0.235 0.000 1.387 695 I CB 0.009 37.997 38.000 -0.020 0.000 1.404 695 I HN 0.703 nan 8.210 nan 0.000 0.522 696 G N 4.464 112.438 108.800 -1.377 0.000 2.234 696 G HA2 -0.034 3.925 3.960 -0.002 0.000 0.235 696 G HA3 -0.034 3.925 3.960 -0.002 0.000 0.235 696 G C 0.615 175.085 174.900 -0.717 0.000 0.997 696 G CA 0.179 44.731 45.100 -0.913 0.000 0.623 696 G HN 1.662 nan 8.290 nan 0.000 0.514 697 G N -1.382 107.037 108.800 -0.634 0.000 2.879 697 G HA2 0.182 4.141 3.960 -0.002 0.000 0.686 697 G HA3 0.182 4.141 3.960 -0.002 0.000 0.686 697 G C 0.182 175.092 174.900 0.016 0.000 1.115 697 G CA 0.167 45.171 45.100 -0.160 0.000 0.770 697 G HN 1.511 nan 8.290 nan 0.000 0.601 698 F N 2.435 122.382 119.950 -0.005 0.000 2.053 698 F HA 0.168 4.694 4.527 -0.001 0.000 0.292 698 F C 2.334 178.185 175.800 0.084 0.000 1.125 698 F CA 2.372 60.412 58.000 0.067 0.000 1.193 698 F CB -0.522 38.575 39.000 0.162 0.000 0.996 698 F HN 1.002 nan 8.300 nan 0.000 0.470 699 T N -0.459 114.118 114.554 0.039 0.000 2.788 699 T HA 0.271 4.620 4.350 -0.002 0.000 0.287 699 T C 0.484 175.189 174.700 0.008 0.000 1.007 699 T CA -0.545 61.523 62.100 -0.054 0.000 1.005 699 T CB 0.705 69.637 68.868 0.107 0.000 1.012 699 T HN 0.226 nan 8.240 nan 0.000 0.530 700 S N 0.875 116.600 115.700 0.041 0.000 2.576 700 S HA 0.212 4.682 4.470 -0.002 0.000 0.272 700 S C 0.300 174.995 174.600 0.159 0.000 1.352 700 S CA -0.089 58.170 58.200 0.098 0.000 1.021 700 S CB -0.141 63.085 63.200 0.043 0.000 0.887 700 S HN 0.967 nan 8.310 nan 0.000 0.542 701 Y N -0.832 119.473 120.300 0.009 0.000 2.435 701 Y HA 0.442 4.991 4.550 -0.002 0.000 0.270 701 Y C 0.075 176.003 175.900 0.046 0.000 1.093 701 Y CA -0.634 57.487 58.100 0.035 0.000 1.226 701 Y CB 0.055 38.543 38.460 0.047 0.000 1.289 701 Y HN 0.489 nan 8.280 nan 0.000 0.529 702 D N 1.867 121.819 120.400 -0.746 0.000 2.339 702 D HA 0.097 4.736 4.640 -0.002 0.000 0.241 702 D C 0.361 176.525 176.300 -0.227 0.000 1.183 702 D CA 0.065 53.732 54.000 -0.555 0.000 0.859 702 D CB 0.572 40.941 40.800 -0.719 0.000 1.067 702 D HN 0.239 nan 8.370 nan 0.000 0.484 703 N N 2.851 121.487 118.700 -0.107 0.000 2.396 703 N HA -0.099 4.640 4.740 -0.002 0.000 0.180 703 N C 0.682 176.161 175.510 -0.052 0.000 1.028 703 N CA 0.602 53.623 53.050 -0.048 0.000 0.893 703 N CB 0.397 38.882 38.487 -0.002 0.000 0.967 703 N HN 0.568 nan 8.380 nan 0.000 0.440 704 E N 0.032 120.190 120.200 -0.071 0.000 2.385 704 E HA 0.055 4.404 4.350 -0.002 0.000 0.194 704 E C 0.020 176.574 176.600 -0.077 0.000 1.013 704 E CA 0.324 56.689 56.400 -0.059 0.000 0.866 704 E CB 0.098 29.768 29.700 -0.050 0.000 0.832 704 E HN 0.128 nan 8.360 nan 0.000 0.500 705 N N 0.510 119.142 118.700 -0.112 0.000 2.905 705 N HA -0.040 4.699 4.740 -0.002 0.000 0.255 705 N C 0.330 175.740 175.510 -0.165 0.000 1.199 705 N CA 0.037 53.010 53.050 -0.130 0.000 0.911 705 N CB 1.000 39.403 38.487 -0.139 0.000 1.550 705 N HN -0.071 nan 8.380 nan 0.000 0.599 706 Q N 1.900 121.627 119.800 -0.121 0.000 2.291 706 Q HA 0.007 4.346 4.340 -0.002 0.000 0.205 706 Q C 0.497 176.430 176.000 -0.111 0.000 0.970 706 Q CA 0.992 56.738 55.803 -0.096 0.000 0.876 706 Q CB 0.108 28.853 28.738 0.012 0.000 0.935 706 Q HN 0.450 nan 8.270 nan 0.000 0.455 707 R N 0.765 121.163 120.500 -0.169 0.000 2.276 707 R HA 0.078 4.417 4.340 -0.002 0.000 0.203 707 R C 0.131 176.328 176.300 -0.172 0.000 1.017 707 R CA 0.573 56.563 56.100 -0.183 0.000 1.010 707 R CB 0.022 30.106 30.300 -0.360 0.000 0.900 707 R HN 0.160 nan 8.270 nan 0.000 0.469 708 T N 4.579 119.017 114.554 -0.192 0.000 2.778 708 T HA 0.031 4.380 4.350 -0.002 0.000 0.282 708 T C -2.068 172.585 174.700 -0.078 0.000 0.983 708 T CA -0.689 61.310 62.100 -0.169 0.000 1.193 708 T CB 0.597 69.334 68.868 -0.219 0.000 0.938 708 T HN 0.111 nan 8.240 nan 0.000 0.523 709 P HA 0.156 nan 4.420 nan 0.000 0.274 709 P C 0.492 177.874 177.300 0.137 0.000 1.246 709 P CA -0.861 62.140 63.100 -0.165 0.000 0.795 709 P CB 0.545 31.780 31.700 -0.776 0.000 1.006 710 C N 2.329 121.672 119.300 0.072 0.000 2.502 710 C HA 0.091 4.550 4.460 -0.002 0.000 0.404 710 C C 1.442 176.487 174.990 0.092 0.000 1.409 710 C CA 0.651 59.647 59.018 -0.036 0.000 1.648 710 C CB -1.408 26.262 27.740 -0.117 0.000 2.571 710 C HN 0.777 nan 8.230 nan 0.000 0.601 711 T N 3.356 117.927 114.554 0.030 0.000 2.860 711 T HA 0.359 4.708 4.350 -0.002 0.000 0.299 711 T C 1.360 176.059 174.700 -0.002 0.000 1.045 711 T CA 0.082 62.240 62.100 0.097 0.000 1.071 711 T CB 1.211 70.126 68.868 0.079 0.000 0.985 711 T HN 1.035 nan 8.240 nan 0.000 0.537 712 G N 0.321 109.161 108.800 0.068 0.000 2.432 712 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.219 712 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.219 712 G C 1.171 176.011 174.900 -0.100 0.000 1.135 712 G CA 0.935 45.992 45.100 -0.071 0.000 0.767 712 G HN 0.884 nan 8.290 nan 0.000 0.550 713 D N -0.546 119.839 120.400 -0.025 0.000 2.194 713 D HA -0.017 4.622 4.640 -0.002 0.000 0.204 713 D C 2.280 178.563 176.300 -0.028 0.000 0.964 713 D CA 0.239 54.229 54.000 -0.017 0.000 0.846 713 D CB -0.101 40.712 40.800 0.021 0.000 0.962 713 D HN 0.169 nan 8.370 nan 0.000 0.490 714 L N -0.044 121.162 121.223 -0.029 0.000 2.141 714 L HA 0.020 4.359 4.340 -0.002 0.000 0.209 714 L C 2.081 178.963 176.870 0.020 0.000 1.094 714 L CA 1.227 56.061 54.840 -0.010 0.000 0.763 714 L CB -0.415 41.632 42.059 -0.020 0.000 0.908 714 L HN 0.137 nan 8.230 nan 0.000 0.437 715 M N -1.693 117.846 119.600 -0.103 0.000 2.156 715 M HA -0.105 4.374 4.480 -0.002 0.000 0.264 715 M C 2.045 178.292 176.300 -0.088 0.000 1.067 715 M CA 1.730 56.935 55.300 -0.159 0.000 1.131 715 M CB -0.480 31.778 32.600 -0.570 0.000 1.368 715 M HN 0.041 nan 8.290 nan 0.000 0.416 716 V N 0.984 120.823 119.914 -0.126 0.000 2.252 716 V HA -0.339 3.780 4.120 -0.002 0.000 0.249 716 V C 2.633 178.664 176.094 -0.105 0.000 1.056 716 V CA 2.038 64.271 62.300 -0.112 0.000 1.022 716 V CB -0.861 30.898 31.823 -0.106 0.000 0.641 716 V HN 0.447 nan 8.190 nan 0.000 0.445 717 R N -1.490 118.972 120.500 -0.063 0.000 2.115 717 R HA -0.115 4.224 4.340 -0.002 0.000 0.230 717 R C 2.085 178.382 176.300 -0.006 0.000 1.111 717 R CA 1.285 57.349 56.100 -0.060 0.000 0.976 717 R CB -0.941 29.326 30.300 -0.054 0.000 0.870 717 R HN 0.553 nan 8.270 nan 0.000 0.445 718 Y N 0.824 121.110 120.300 -0.024 0.000 2.181 718 Y HA -0.161 4.388 4.550 -0.002 0.000 0.288 718 Y C 2.460 178.425 175.900 0.109 0.000 1.146 718 Y CA 0.929 59.052 58.100 0.039 0.000 1.164 718 Y CB -0.304 38.165 38.460 0.016 0.000 0.982 718 Y HN -0.257 nan 8.280 nan 0.000 0.515 719 V N -0.148 119.921 119.914 0.259 0.000 2.307 719 V HA -0.317 3.802 4.120 -0.002 0.000 0.245 719 V C 2.062 178.279 176.094 0.205 0.000 1.045 719 V CA 2.130 64.619 62.300 0.315 0.000 1.024 719 V CB -0.538 31.407 31.823 0.204 0.000 0.651 719 V HN 0.425 nan 8.190 nan 0.000 0.449 720 Q N -0.244 119.526 119.800 -0.049 0.000 2.124 720 Q HA -0.138 4.201 4.340 -0.002 0.000 0.202 720 Q C 2.358 178.396 176.000 0.063 0.000 0.977 720 Q CA 1.665 57.363 55.803 -0.175 0.000 0.850 720 Q CB -0.372 28.090 28.738 -0.460 0.000 0.901 720 Q HN 0.673 nan 8.270 nan 0.000 0.429 721 A N 0.718 123.600 122.820 0.102 0.000 1.929 721 A HA -0.035 4.284 4.320 -0.002 0.000 0.216 721 A C 2.181 179.909 177.584 0.239 0.000 1.176 721 A CA 1.466 53.613 52.037 0.183 0.000 0.628 721 A CB -0.701 18.373 19.000 0.122 0.000 0.816 721 A HN 0.448 nan 8.150 nan 0.000 0.444 722 G N -0.906 108.038 108.800 0.240 0.000 2.777 722 G HA2 -0.039 3.920 3.960 -0.002 0.000 0.211 722 G HA3 -0.039 3.920 3.960 -0.002 0.000 0.211 722 G C 1.452 176.226 174.900 -0.210 0.000 1.149 722 G CA 0.958 46.184 45.100 0.211 0.000 0.785 722 G HN 0.886 nan 8.290 nan 0.000 0.536 723 C N -0.746 118.374 119.300 -0.299 0.000 2.449 723 C HA 0.312 4.771 4.460 -0.002 0.000 0.283 723 C C 1.994 176.798 174.990 -0.310 0.000 1.453 723 C CA 0.122 58.734 59.018 -0.675 0.000 1.779 723 C CB -0.981 26.735 27.740 -0.040 0.000 1.779 723 C HN 0.256 nan 8.230 nan 0.000 0.546 724 L N -0.231 120.978 121.223 -0.024 0.000 2.966 724 L HA 0.384 4.723 4.340 -0.002 0.000 0.262 724 L C 0.646 177.592 176.870 0.127 0.000 1.165 724 L CA -0.228 54.671 54.840 0.099 0.000 0.978 724 L CB -0.045 42.170 42.059 0.259 0.000 1.337 724 L HN 0.246 nan 8.230 nan 0.000 0.563 725 L N 0.929 122.209 121.223 0.095 0.000 2.464 725 L HA 0.117 4.456 4.340 -0.002 0.000 0.264 725 L C -1.143 175.847 176.870 0.201 0.000 1.199 725 L CA -1.346 53.562 54.840 0.113 0.000 0.818 725 L CB 0.442 42.558 42.059 0.095 0.000 1.102 725 L HN -0.170 nan 8.230 nan 0.000 0.473 726 P HA -0.138 nan 4.420 nan 0.000 0.217 726 P C -0.380 177.195 177.300 0.457 0.000 1.151 726 P CA 1.037 64.390 63.100 0.422 0.000 0.828 726 P CB 0.166 32.073 31.700 0.345 0.000 0.788 727 W N 0.588 122.005 121.300 0.195 0.000 2.361 727 W HA 0.446 5.105 4.660 -0.002 0.000 0.314 727 W C -1.796 174.944 176.519 0.368 0.000 1.041 727 W CA -0.874 56.588 57.345 0.195 0.000 1.241 727 W CB 0.838 30.369 29.460 0.117 0.000 1.279 727 W HN -0.249 nan 8.180 nan 0.000 0.436 728 F N 8.021 127.710 119.950 -0.435 0.000 2.564 728 F HA 0.418 4.945 4.527 -0.001 0.000 0.368 728 F C -0.766 174.776 175.800 -0.430 0.000 1.127 728 F CA -1.149 56.713 58.000 -0.230 0.000 1.170 728 F CB 0.385 39.465 39.000 0.134 0.000 1.397 728 F HN 0.453 nan 8.300 nan 0.000 0.493 729 R N 4.225 124.309 120.500 -0.693 0.000 2.502 729 R HA 0.306 4.645 4.340 -0.002 0.000 0.300 729 R C -1.174 174.907 176.300 -0.365 0.000 0.984 729 R CA -0.603 55.077 56.100 -0.699 0.000 0.882 729 R CB 0.980 30.746 30.300 -0.889 0.000 1.180 729 R HN 0.485 nan 8.270 nan 0.000 0.444 730 N N 3.916 122.433 118.700 -0.306 0.000 2.411 730 N HA 0.049 4.788 4.740 -0.002 0.000 0.259 730 N C -1.460 174.087 175.510 0.062 0.000 1.103 730 N CA 0.339 53.347 53.050 -0.069 0.000 0.954 730 N CB 0.554 39.081 38.487 0.067 0.000 1.085 730 N HN 0.700 nan 8.380 nan 0.000 0.485 731 H N 3.310 122.399 119.070 0.032 0.000 2.895 731 H HA 0.385 4.940 4.556 -0.002 0.000 0.373 731 H C -1.407 174.183 175.328 0.437 0.000 1.174 731 H CA -0.634 55.526 56.048 0.187 0.000 1.144 731 H CB 1.853 31.610 29.762 -0.009 0.000 1.793 731 H HN 0.643 nan 8.280 nan 0.000 0.551 732 Y N 0.655 120.726 120.300 -0.383 0.000 2.641 732 Y HA 0.209 4.758 4.550 -0.002 0.000 0.333 732 Y C -1.820 173.753 175.900 -0.545 0.000 1.174 732 Y CA -1.240 56.642 58.100 -0.363 0.000 1.057 732 Y CB 1.030 39.369 38.460 -0.202 0.000 1.322 732 Y HN 0.444 nan 8.280 nan 0.000 0.457 733 D N 2.641 122.414 120.400 -1.045 0.000 2.338 733 D HA 0.159 4.798 4.640 -0.002 0.000 0.255 733 D C -0.633 175.368 176.300 -0.499 0.000 1.237 733 D CA 0.012 53.552 54.000 -0.766 0.000 0.883 733 D CB 0.601 40.938 40.800 -0.772 0.000 1.087 733 D HN 0.676 nan 8.370 nan 0.000 0.485 734 R N 4.067 124.210 120.500 -0.594 0.000 2.265 734 R HA 0.210 4.549 4.340 -0.002 0.000 0.319 734 R C -0.711 175.474 176.300 -0.192 0.000 1.006 734 R CA -0.863 55.012 56.100 -0.375 0.000 0.880 734 R CB 0.512 30.540 30.300 -0.453 0.000 1.077 734 R HN 0.501 nan 8.270 nan 0.000 0.454 735 W N 8.069 129.259 121.300 -0.184 0.000 2.469 735 W HA 0.206 4.864 4.660 -0.002 0.000 0.321 735 W C -0.363 176.061 176.519 -0.159 0.000 1.415 735 W CA -0.128 57.110 57.345 -0.177 0.000 1.308 735 W CB 0.309 29.710 29.460 -0.098 0.000 1.368 735 W HN 0.530 nan 8.180 nan 0.000 0.546 736 I N 1.573 121.859 120.570 -0.473 0.000 3.145 736 I HA 0.392 4.561 4.170 -0.002 0.000 0.313 736 I C 0.914 176.478 176.117 -0.922 0.000 1.122 736 I CA -0.996 60.056 61.300 -0.412 0.000 0.987 736 I CB 2.107 39.937 38.000 -0.285 0.000 1.236 736 I HN 0.477 nan 8.210 nan 0.000 0.453 737 E N 1.202 121.081 120.200 -0.534 0.000 2.153 737 E HA -0.174 4.175 4.350 -0.002 0.000 0.194 737 E C 1.607 177.937 176.600 -0.450 0.000 0.988 737 E CA 1.934 58.037 56.400 -0.496 0.000 0.811 737 E CB 0.197 29.810 29.700 -0.146 0.000 0.746 737 E HN 0.815 nan 8.360 nan 0.000 0.466 738 S N -0.475 114.998 115.700 -0.378 0.000 2.528 738 S HA 0.037 4.506 4.470 -0.002 0.000 0.219 738 S C 0.847 175.239 174.600 -0.347 0.000 0.985 738 S CA -0.122 57.905 58.200 -0.287 0.000 0.914 738 S CB 0.300 63.377 63.200 -0.205 0.000 0.776 738 S HN 0.052 nan 8.310 nan 0.000 0.526 739 K N 2.223 122.309 120.400 -0.524 0.000 2.803 739 K HA 0.107 4.426 4.320 -0.002 0.000 0.229 739 K C -1.461 174.621 176.600 -0.863 0.000 1.084 739 K CA -0.232 55.687 56.287 -0.614 0.000 1.063 739 K CB 0.555 32.621 32.500 -0.724 0.000 1.254 739 K HN 0.123 nan 8.250 nan 0.000 0.551 740 D N 3.431 123.389 120.400 -0.736 0.000 3.038 740 D HA 0.012 4.651 4.640 -0.002 0.000 0.243 740 D C -0.511 175.544 176.300 -0.408 0.000 1.245 740 D CA 0.033 53.436 54.000 -0.996 0.000 0.871 740 D CB -0.430 40.029 40.800 -0.568 0.000 1.089 740 D HN 0.614 nan 8.370 nan 0.000 0.464 741 H N -2.807 116.071 119.070 -0.320 0.000 2.851 741 H HA 0.784 5.339 4.556 -0.002 0.000 0.372 741 H C 0.332 175.664 175.328 0.008 0.000 1.158 741 H CA -0.686 55.367 56.048 0.007 0.000 1.159 741 H CB 1.985 31.759 29.762 0.020 0.000 1.757 741 H HN 0.221 nan 8.280 nan 0.000 0.546 742 G N 0.890 109.841 108.800 0.250 0.000 2.334 742 G HA2 0.127 4.086 3.960 -0.002 0.000 0.315 742 G HA3 0.127 4.086 3.960 -0.002 0.000 0.315 742 G C -1.639 173.361 174.900 0.166 0.000 1.284 742 G CA -1.119 44.049 45.100 0.113 0.000 0.985 742 G HN 0.705 nan 8.290 nan 0.000 0.504 743 K N -0.504 119.974 120.400 0.130 0.000 2.185 743 K HA 0.511 4.830 4.320 -0.002 0.000 0.240 743 K C 0.305 176.992 176.600 0.145 0.000 0.983 743 K CA -0.861 55.485 56.287 0.099 0.000 0.873 743 K CB 1.535 34.081 32.500 0.076 0.000 1.118 743 K HN 0.333 nan 8.250 nan 0.000 0.441 744 D N 0.062 120.459 120.400 -0.006 0.000 2.144 744 D HA -0.072 4.567 4.640 -0.002 0.000 0.199 744 D C 0.111 176.560 176.300 0.247 0.000 0.984 744 D CA 1.724 55.769 54.000 0.075 0.000 0.834 744 D CB 0.051 40.859 40.800 0.014 0.000 0.955 744 D HN 0.484 nan 8.370 nan 0.000 0.465 745 Y N -3.653 116.683 120.300 0.058 0.000 2.818 745 Y HA 0.456 5.005 4.550 -0.002 0.000 0.341 745 Y C -0.132 175.424 175.900 -0.574 0.000 1.283 745 Y CA -0.906 57.112 58.100 -0.137 0.000 1.075 745 Y CB 0.973 39.306 38.460 -0.213 0.000 1.370 745 Y HN -0.249 nan 8.280 nan 0.000 0.448 746 Q N -0.599 118.862 119.800 -0.566 0.000 1.560 746 Q HA 0.200 4.539 4.340 -0.002 0.000 0.150 746 Q C -1.294 174.581 176.000 -0.208 0.000 0.740 746 Q CA -0.065 55.439 55.803 -0.498 0.000 0.722 746 Q CB 0.434 28.544 28.738 -1.047 0.000 1.186 746 Q HN 0.769 nan 8.270 nan 0.000 0.354 747 E N 0.799 120.809 120.200 -0.317 0.000 2.398 747 E HA 0.033 4.382 4.350 -0.002 0.000 0.263 747 E C 0.851 177.211 176.600 -0.401 0.000 1.046 747 E CA 0.155 56.321 56.400 -0.390 0.000 0.908 747 E CB 0.652 29.819 29.700 -0.888 0.000 0.963 747 E HN 0.266 nan 8.360 nan 0.000 0.431 748 L N 1.916 123.016 121.223 -0.206 0.000 2.141 748 L HA -0.190 4.149 4.340 -0.002 0.000 0.209 748 L C 1.968 178.750 176.870 -0.147 0.000 1.094 748 L CA 1.152 55.952 54.840 -0.067 0.000 0.763 748 L CB -0.624 41.351 42.059 -0.139 0.000 0.908 748 L HN 0.754 nan 8.230 nan 0.000 0.437 749 Y N -2.675 117.339 120.300 -0.477 0.000 2.509 749 Y HA -0.008 4.541 4.550 -0.002 0.000 0.293 749 Y C 2.229 178.010 175.900 -0.199 0.000 1.133 749 Y CA 0.221 58.165 58.100 -0.261 0.000 1.283 749 Y CB -0.562 37.640 38.460 -0.429 0.000 1.001 749 Y HN 0.022 nan 8.280 nan 0.000 0.555 750 M N 0.113 119.315 119.600 -0.664 0.000 2.682 750 M HA 0.037 4.516 4.480 -0.002 0.000 0.235 750 M C -0.956 174.956 176.300 -0.646 0.000 1.114 750 M CA 0.443 55.313 55.300 -0.717 0.000 1.053 750 M CB -1.164 30.791 32.600 -1.076 0.000 1.599 750 M HN 0.360 nan 8.290 nan 0.000 0.520 751 Y N -0.176 120.071 120.300 -0.088 0.000 2.919 751 Y HA 0.294 4.843 4.550 -0.001 0.000 0.341 751 Y C -1.694 174.229 175.900 0.038 0.000 1.045 751 Y CA -2.119 55.983 58.100 0.004 0.000 1.218 751 Y CB 0.219 38.695 38.460 0.027 0.000 1.137 751 Y HN 0.098 nan 8.280 nan 0.000 0.577 752 P HA -0.122 nan 4.420 nan 0.000 0.217 752 P C 0.637 177.996 177.300 0.098 0.000 1.150 752 P CA 1.594 64.743 63.100 0.081 0.000 0.832 752 P CB 0.427 32.144 31.700 0.028 0.000 0.787 753 N N -0.854 117.910 118.700 0.108 0.000 2.331 753 N HA -0.098 4.641 4.740 -0.002 0.000 0.180 753 N C 1.088 176.655 175.510 0.096 0.000 1.019 753 N CA 0.723 53.826 53.050 0.090 0.000 0.881 753 N CB -0.134 38.404 38.487 0.085 0.000 0.972 753 N HN 0.185 nan 8.380 nan 0.000 0.435 754 E N -0.444 119.836 120.200 0.134 0.000 2.526 754 E HA 0.178 4.528 4.350 -0.002 0.000 0.208 754 E C 1.226 177.916 176.600 0.150 0.000 0.997 754 E CA -0.199 56.270 56.400 0.115 0.000 0.961 754 E CB 0.211 29.961 29.700 0.083 0.000 1.030 754 E HN 0.240 nan 8.360 nan 0.000 0.483 755 M N 0.866 120.577 119.600 0.185 0.000 2.089 755 M HA -0.264 4.215 4.480 -0.002 0.000 0.257 755 M C 0.758 177.138 176.300 0.133 0.000 1.071 755 M CA 1.785 57.229 55.300 0.241 0.000 1.096 755 M CB -0.007 32.726 32.600 0.221 0.000 1.330 755 M HN 0.073 nan 8.290 nan 0.000 0.403 756 D N -0.539 119.899 120.400 0.064 0.000 2.123 756 D HA -0.142 4.497 4.640 -0.002 0.000 0.196 756 D C 1.854 178.178 176.300 0.040 0.000 0.992 756 D CA 1.899 55.904 54.000 0.008 0.000 0.833 756 D CB -0.557 40.246 40.800 0.005 0.000 0.954 756 D HN 0.385 nan 8.370 nan 0.000 0.455 757 T N 0.954 115.565 114.554 0.094 0.000 2.812 757 T HA -0.016 4.333 4.350 -0.002 0.000 0.264 757 T C 2.218 177.059 174.700 0.234 0.000 1.042 757 T CA 0.330 62.531 62.100 0.169 0.000 1.140 757 T CB -0.236 68.710 68.868 0.129 0.000 0.870 757 T HN 0.090 nan 8.240 nan 0.000 0.445 758 L N 0.648 121.986 121.223 0.191 0.000 1.971 758 L HA -0.171 4.168 4.340 -0.002 0.000 0.215 758 L C 2.896 179.948 176.870 0.303 0.000 1.072 758 L CA 1.704 56.699 54.840 0.258 0.000 0.758 758 L CB -0.493 41.767 42.059 0.335 0.000 0.889 758 L HN 0.177 nan 8.230 nan 0.000 0.433 759 R N 0.978 121.543 120.500 0.107 0.000 2.096 759 R HA -0.201 4.138 4.340 -0.002 0.000 0.235 759 R C 2.396 178.656 176.300 -0.068 0.000 1.127 759 R CA 1.815 57.756 56.100 -0.265 0.000 0.968 759 R CB -0.107 29.664 30.300 -0.881 0.000 0.861 759 R HN 0.432 nan 8.270 nan 0.000 0.440 760 K N -0.822 119.579 120.400 0.002 0.000 2.148 760 K HA -0.124 4.195 4.320 -0.002 0.000 0.204 760 K C 1.694 178.291 176.600 -0.004 0.000 1.050 760 K CA 1.412 57.684 56.287 -0.025 0.000 0.942 760 K CB -0.365 32.088 32.500 -0.078 0.000 0.724 760 K HN 0.132 nan 8.250 nan 0.000 0.446 761 F N 1.632 121.613 119.950 0.053 0.000 2.293 761 F HA -0.101 4.425 4.527 -0.002 0.000 0.300 761 F C 2.157 178.076 175.800 0.198 0.000 1.086 761 F CA 0.694 58.777 58.000 0.137 0.000 1.375 761 F CB 0.086 39.157 39.000 0.119 0.000 1.045 761 F HN -0.184 nan 8.300 nan 0.000 0.516 762 V N -0.516 119.581 119.914 0.305 0.000 2.407 762 V HA -0.211 3.908 4.120 -0.002 0.000 0.245 762 V C 2.015 178.206 176.094 0.161 0.000 1.041 762 V CA 1.626 64.075 62.300 0.248 0.000 1.040 762 V CB -0.627 31.261 31.823 0.109 0.000 0.671 762 V HN 0.221 nan 8.190 nan 0.000 0.455 763 E N 0.006 120.242 120.200 0.060 0.000 2.065 763 E HA -0.302 4.047 4.350 -0.002 0.000 0.201 763 E C 2.013 178.695 176.600 0.136 0.000 1.016 763 E CA 2.058 58.496 56.400 0.064 0.000 0.818 763 E CB -0.376 29.337 29.700 0.021 0.000 0.749 763 E HN 0.556 nan 8.360 nan 0.000 0.453 764 F N 1.840 121.742 119.950 -0.080 0.000 2.120 764 F HA -0.260 4.266 4.527 -0.002 0.000 0.300 764 F C 2.351 178.094 175.800 -0.095 0.000 1.095 764 F CA 1.900 59.776 58.000 -0.207 0.000 1.249 764 F CB -0.187 38.578 39.000 -0.392 0.000 0.995 764 F HN -0.172 nan 8.300 nan 0.000 0.480 765 R N -1.201 119.242 120.500 -0.096 0.000 2.081 765 R HA -0.223 4.116 4.340 -0.002 0.000 0.235 765 R C 2.241 178.563 176.300 0.037 0.000 1.131 765 R CA 1.891 57.948 56.100 -0.072 0.000 0.960 765 R CB -0.810 29.566 30.300 0.127 0.000 0.856 765 R HN 0.356 nan 8.270 nan 0.000 0.436 766 Y N 0.518 120.795 120.300 -0.039 0.000 2.242 766 Y HA -0.037 4.512 4.550 -0.001 0.000 0.291 766 Y C 2.435 178.295 175.900 -0.067 0.000 1.137 766 Y CA 1.225 59.314 58.100 -0.018 0.000 1.181 766 Y CB -0.115 38.386 38.460 0.069 0.000 0.989 766 Y HN 0.020 nan 8.280 nan 0.000 0.527 767 R N -1.870 118.652 120.500 0.038 0.000 2.152 767 R HA -0.196 4.143 4.340 -0.002 0.000 0.232 767 R C 0.611 176.931 176.300 0.034 0.000 1.117 767 R CA 1.204 57.250 56.100 -0.089 0.000 0.981 767 R CB -0.290 29.901 30.300 -0.182 0.000 0.870 767 R HN 0.290 nan 8.270 nan 0.000 0.451 768 W N 1.775 122.938 121.300 -0.228 0.000 3.015 768 W HA 0.121 4.780 4.660 -0.001 0.000 0.429 768 W C 1.411 177.781 176.519 -0.248 0.000 0.976 768 W CA -0.723 56.480 57.345 -0.235 0.000 2.086 768 W CB -0.205 29.058 29.460 -0.329 0.000 1.125 768 W HN 0.219 nan 8.180 nan 0.000 0.721 769 Q N -0.441 119.310 119.800 -0.081 0.000 2.167 769 Q HA -0.162 4.177 4.340 -0.002 0.000 0.202 769 Q C 1.020 176.887 176.000 -0.222 0.000 0.970 769 Q CA 1.342 57.007 55.803 -0.230 0.000 0.855 769 Q CB -0.119 28.400 28.738 -0.366 0.000 0.911 769 Q HN 0.072 nan 8.270 nan 0.000 0.438 770 E N 0.934 121.051 120.200 -0.139 0.000 2.152 770 E HA -0.058 4.291 4.350 -0.002 0.000 0.192 770 E C 2.279 178.815 176.600 -0.106 0.000 0.983 770 E CA 0.834 57.192 56.400 -0.071 0.000 0.818 770 E CB -0.112 29.556 29.700 -0.054 0.000 0.758 770 E HN 0.241 nan 8.360 nan 0.000 0.467 771 V N 1.647 121.452 119.914 -0.182 0.000 2.332 771 V HA -0.244 3.875 4.120 -0.002 0.000 0.248 771 V C 2.496 178.427 176.094 -0.272 0.000 1.055 771 V CA 1.377 63.517 62.300 -0.266 0.000 1.038 771 V CB -0.502 31.033 31.823 -0.480 0.000 0.651 771 V HN 0.181 nan 8.190 nan 0.000 0.450 772 L N -1.723 119.296 121.223 -0.341 0.000 1.994 772 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 772 L C 2.492 178.940 176.870 -0.704 0.000 1.071 772 L CA 1.942 56.424 54.840 -0.597 0.000 0.745 772 L CB -0.658 40.874 42.059 -0.878 0.000 0.892 772 L HN 0.316 nan 8.230 nan 0.000 0.431 773 Y N 0.742 120.602 120.300 -0.733 0.000 2.165 773 Y HA -0.285 4.264 4.550 -0.002 0.000 0.286 773 Y C 2.743 178.489 175.900 -0.257 0.000 1.155 773 Y CA 1.896 59.718 58.100 -0.464 0.000 1.164 773 Y CB -0.713 37.601 38.460 -0.244 0.000 0.978 773 Y HN 0.137 nan 8.280 nan 0.000 0.513 774 T N 0.174 114.661 114.554 -0.112 0.000 2.708 774 T HA -0.189 4.160 4.350 -0.002 0.000 0.266 774 T C 2.170 176.818 174.700 -0.087 0.000 1.037 774 T CA 1.537 63.602 62.100 -0.057 0.000 1.146 774 T CB -0.823 68.058 68.868 0.022 0.000 0.865 774 T HN 0.430 nan 8.240 nan 0.000 0.435 775 A N 1.249 123.984 122.820 -0.142 0.000 1.948 775 A HA -0.186 4.133 4.320 -0.002 0.000 0.220 775 A C 2.237 179.718 177.584 -0.170 0.000 1.177 775 A CA 2.154 54.105 52.037 -0.145 0.000 0.636 775 A CB -0.675 18.223 19.000 -0.170 0.000 0.815 775 A HN 0.429 nan 8.150 nan 0.000 0.449 776 M N -1.985 117.487 119.600 -0.213 0.000 2.156 776 M HA -0.039 4.440 4.480 -0.002 0.000 0.264 776 M C 1.950 178.040 176.300 -0.348 0.000 1.067 776 M CA 1.788 56.972 55.300 -0.193 0.000 1.131 776 M CB -0.832 31.753 32.600 -0.024 0.000 1.368 776 M HN 0.521 nan 8.290 nan 0.000 0.416 777 Y N 1.126 121.051 120.300 -0.626 0.000 2.069 777 Y HA -0.361 4.188 4.550 -0.002 0.000 0.278 777 Y C 2.061 177.647 175.900 -0.523 0.000 1.175 777 Y CA 2.625 60.258 58.100 -0.778 0.000 1.134 777 Y CB -0.900 36.983 38.460 -0.961 0.000 0.965 777 Y HN 0.446 nan 8.280 nan 0.000 0.498 778 Q N -0.112 119.388 119.800 -0.500 0.000 2.248 778 Q HA -0.241 4.098 4.340 -0.002 0.000 0.208 778 Q C 2.184 177.962 176.000 -0.370 0.000 0.984 778 Q CA 1.447 57.029 55.803 -0.369 0.000 0.875 778 Q CB -0.400 28.350 28.738 0.021 0.000 0.910 778 Q HN 0.599 nan 8.270 nan 0.000 0.433 779 N N 0.227 118.718 118.700 -0.347 0.000 2.250 779 N HA -0.090 4.649 4.740 -0.002 0.000 0.181 779 N C 1.599 176.872 175.510 -0.395 0.000 1.017 779 N CA 1.154 54.030 53.050 -0.289 0.000 0.866 779 N CB 0.094 38.450 38.487 -0.219 0.000 0.985 779 N HN 0.215 nan 8.380 nan 0.000 0.429 780 A N 0.592 123.100 122.820 -0.521 0.000 1.929 780 A HA 0.177 4.496 4.320 -0.002 0.000 0.216 780 A C 2.271 179.494 177.584 -0.601 0.000 1.176 780 A CA 1.502 53.234 52.037 -0.508 0.000 0.628 780 A CB -0.555 18.151 19.000 -0.490 0.000 0.816 780 A HN 0.428 nan 8.150 nan 0.000 0.444 781 A N -1.642 120.585 122.820 -0.989 0.000 1.935 781 A HA 0.327 4.646 4.320 -0.002 0.000 0.214 781 A C 1.380 178.439 177.584 -0.876 0.000 1.178 781 A CA 1.242 52.570 52.037 -1.181 0.000 0.640 781 A CB -0.250 17.459 19.000 -2.152 0.000 0.825 781 A HN 0.496 nan 8.150 nan 0.000 0.447 782 F N -1.992 117.780 119.950 -0.296 0.000 2.798 782 F HA 0.418 4.944 4.527 -0.002 0.000 0.328 782 F C 1.634 177.353 175.800 -0.135 0.000 1.098 782 F CA -0.284 57.615 58.000 -0.169 0.000 1.172 782 F CB -0.077 38.838 39.000 -0.141 0.000 1.072 782 F HN 0.297 nan 8.300 nan 0.000 0.555 783 G N 1.157 109.912 108.800 -0.075 0.000 2.155 783 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.257 783 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.257 783 G C 0.405 175.276 174.900 -0.047 0.000 0.983 783 G CA 0.019 45.065 45.100 -0.090 0.000 0.676 783 G HN 0.341 nan 8.290 nan 0.000 0.528 784 K N 1.622 122.016 120.400 -0.011 0.000 2.448 784 K HA 0.304 4.623 4.320 -0.002 0.000 0.278 784 K C -1.932 174.636 176.600 -0.054 0.000 1.009 784 K CA -0.873 55.410 56.287 -0.007 0.000 0.995 784 K CB 0.748 33.256 32.500 0.014 0.000 0.917 784 K HN 0.165 nan 8.250 nan 0.000 0.481 785 P HA 0.025 nan 4.420 nan 0.000 0.275 785 P C 0.397 177.650 177.300 -0.078 0.000 1.227 785 P CA 0.058 63.125 63.100 -0.054 0.000 0.781 785 P CB 0.661 32.348 31.700 -0.021 0.000 0.906 786 I N 1.960 122.490 120.570 -0.067 0.000 2.163 786 I HA -0.111 4.058 4.170 -0.002 0.000 0.240 786 I C 1.180 177.259 176.117 -0.064 0.000 1.081 786 I CA 1.295 62.554 61.300 -0.068 0.000 1.353 786 I CB -0.238 37.746 38.000 -0.028 0.000 1.054 786 I HN 0.217 nan 8.210 nan 0.000 0.407 787 I N 2.549 123.096 120.570 -0.039 0.000 2.331 787 I HA 0.199 4.368 4.170 -0.002 0.000 0.292 787 I C -0.088 176.019 176.117 -0.016 0.000 0.998 787 I CA -0.323 60.968 61.300 -0.014 0.000 1.267 787 I CB 0.972 38.925 38.000 -0.078 0.000 1.386 787 I HN 0.077 nan 8.210 nan 0.000 0.476 788 K N 4.974 125.378 120.400 0.006 0.000 2.182 788 K HA 0.638 4.957 4.320 -0.002 0.000 0.262 788 K C -0.241 176.439 176.600 0.132 0.000 0.957 788 K CA -0.637 55.657 56.287 0.012 0.000 0.842 788 K CB 2.210 34.619 32.500 -0.151 0.000 1.099 788 K HN 0.656 nan 8.250 nan 0.000 0.438 789 A N 1.602 124.493 122.820 0.118 0.000 2.445 789 A HA 0.348 4.667 4.320 -0.002 0.000 0.242 789 A C 1.402 179.087 177.584 0.169 0.000 1.075 789 A CA 0.538 52.657 52.037 0.136 0.000 0.777 789 A CB 0.178 19.208 19.000 0.050 0.000 1.013 789 A HN 0.842 nan 8.150 nan 0.000 0.493 790 A N 1.440 124.367 122.820 0.178 0.000 1.948 790 A HA -0.131 4.188 4.320 -0.002 0.000 0.220 790 A C 2.260 179.933 177.584 0.148 0.000 1.177 790 A CA 2.464 54.601 52.037 0.167 0.000 0.636 790 A CB -1.082 17.993 19.000 0.125 0.000 0.815 790 A HN 1.721 nan 8.150 nan 0.000 0.449 791 S N -0.965 114.770 115.700 0.057 0.000 2.555 791 S HA 0.006 4.475 4.470 -0.002 0.000 0.230 791 S C 1.673 176.266 174.600 -0.012 0.000 0.978 791 S CA 1.189 59.374 58.200 -0.024 0.000 0.934 791 S CB -0.518 62.555 63.200 -0.212 0.000 0.766 791 S HN 0.543 nan 8.310 nan 0.000 0.533 792 M N -0.015 119.635 119.600 0.084 0.000 2.349 792 M HA 0.141 4.620 4.480 -0.002 0.000 0.266 792 M C 0.435 176.832 176.300 0.163 0.000 1.076 792 M CA 0.562 55.950 55.300 0.148 0.000 1.126 792 M CB -0.240 32.521 32.600 0.268 0.000 1.392 792 M HN 0.372 nan 8.290 nan 0.000 0.440 793 Y N 3.006 123.361 120.300 0.092 0.000 2.537 793 Y HA 0.027 4.576 4.550 -0.002 0.000 0.339 793 Y C 0.127 175.996 175.900 -0.050 0.000 1.066 793 Y CA -0.559 57.522 58.100 -0.031 0.000 1.357 793 Y CB 0.093 38.605 38.460 0.087 0.000 1.175 793 Y HN 0.138 nan 8.280 nan 0.000 0.525 794 N N 4.494 123.060 118.700 -0.225 0.000 2.445 794 N HA 0.089 4.828 4.740 -0.002 0.000 0.264 794 N C -0.181 175.294 175.510 -0.058 0.000 1.227 794 N CA -0.031 52.946 53.050 -0.123 0.000 0.963 794 N CB 0.485 38.866 38.487 -0.176 0.000 1.188 794 N HN 0.806 nan 8.380 nan 0.000 0.491 795 N N -1.032 117.662 118.700 -0.009 0.000 2.714 795 N HA -0.198 4.541 4.740 -0.002 0.000 0.250 795 N C -1.393 174.181 175.510 0.106 0.000 1.117 795 N CA 0.639 53.704 53.050 0.025 0.000 0.719 795 N CB -0.605 37.873 38.487 -0.015 0.000 1.081 795 N HN 0.524 nan 8.380 nan 0.000 0.557 796 D N -0.037 120.457 120.400 0.155 0.000 2.549 796 D HA 0.246 4.885 4.640 -0.002 0.000 0.251 796 D C 0.345 176.692 176.300 0.078 0.000 1.153 796 D CA -0.396 53.711 54.000 0.177 0.000 0.861 796 D CB 0.972 41.956 40.800 0.307 0.000 1.207 796 D HN 0.169 nan 8.370 nan 0.000 0.543 797 S N 2.175 117.891 115.700 0.027 0.000 2.634 797 S HA 0.108 4.577 4.470 -0.002 0.000 0.221 797 S C 0.754 175.294 174.600 -0.101 0.000 0.952 797 S CA -0.165 58.019 58.200 -0.026 0.000 0.930 797 S CB -0.186 63.001 63.200 -0.021 0.000 0.780 797 S HN 0.458 nan 8.310 nan 0.000 0.498 798 N N 0.461 119.054 118.700 -0.177 0.000 2.193 798 N HA 0.113 4.852 4.740 -0.002 0.000 0.210 798 N C 1.430 176.662 175.510 -0.462 0.000 1.215 798 N CA 0.538 53.322 53.050 -0.443 0.000 0.901 798 N CB 0.842 38.802 38.487 -0.879 0.000 1.060 798 N HN 0.329 nan 8.380 nan 0.000 0.508 799 V N -0.427 119.380 119.914 -0.178 0.000 2.720 799 V HA -0.122 3.997 4.120 -0.002 0.000 0.256 799 V C 2.146 178.203 176.094 -0.062 0.000 1.082 799 V CA 1.363 63.629 62.300 -0.057 0.000 1.101 799 V CB -0.551 31.316 31.823 0.074 0.000 0.693 799 V HN 0.229 nan 8.190 nan 0.000 0.479 800 R N 0.876 121.340 120.500 -0.060 0.000 2.066 800 R HA -0.139 4.200 4.340 -0.002 0.000 0.232 800 R C 2.671 178.952 176.300 -0.031 0.000 1.131 800 R CA 1.833 57.931 56.100 -0.002 0.000 0.955 800 R CB -0.345 29.959 30.300 0.007 0.000 0.851 800 R HN 0.602 nan 8.270 nan 0.000 0.432 801 R N -0.105 120.331 120.500 -0.107 0.000 2.189 801 R HA -0.035 4.304 4.340 -0.002 0.000 0.223 801 R C 1.355 177.586 176.300 -0.114 0.000 1.092 801 R CA 1.351 57.387 56.100 -0.106 0.000 0.989 801 R CB -0.037 30.178 30.300 -0.141 0.000 0.876 801 R HN 0.248 nan 8.270 nan 0.000 0.457 802 A N 1.169 123.878 122.820 -0.185 0.000 2.275 802 A HA -0.026 4.293 4.320 -0.002 0.000 0.212 802 A C 1.718 179.252 177.584 -0.083 0.000 1.201 802 A CA 0.033 51.902 52.037 -0.281 0.000 0.843 802 A CB -0.069 18.595 19.000 -0.560 0.000 0.873 802 A HN 0.610 nan 8.150 nan 0.000 0.492 803 Q N -0.112 119.705 119.800 0.029 0.000 2.488 803 Q HA -0.090 4.249 4.340 -0.002 0.000 0.211 803 Q C 0.540 176.652 176.000 0.188 0.000 0.967 803 Q CA 1.029 56.914 55.803 0.136 0.000 0.926 803 Q CB -0.331 28.506 28.738 0.166 0.000 0.992 803 Q HN 0.461 nan 8.270 nan 0.000 0.506 804 N N 1.977 120.781 118.700 0.172 0.000 2.250 804 N HA -0.095 4.644 4.740 -0.002 0.000 0.181 804 N C 0.409 176.055 175.510 0.228 0.000 1.017 804 N CA 1.742 54.904 53.050 0.185 0.000 0.866 804 N CB 0.146 38.732 38.487 0.165 0.000 0.985 804 N HN 0.662 nan 8.380 nan 0.000 0.429 805 D N -2.514 118.060 120.400 0.288 0.000 2.486 805 D HA 0.048 4.687 4.640 -0.002 0.000 0.243 805 D C -0.288 176.189 176.300 0.295 0.000 1.146 805 D CA -0.111 54.068 54.000 0.297 0.000 0.821 805 D CB -0.565 40.368 40.800 0.221 0.000 1.201 805 D HN 0.064 nan 8.370 nan 0.000 0.525 806 H N 0.491 119.628 119.070 0.111 0.000 2.548 806 H HA 0.595 5.150 4.556 -0.002 0.000 0.331 806 H C -0.455 174.959 175.328 0.144 0.000 1.093 806 H CA -0.604 55.446 56.048 0.003 0.000 1.367 806 H CB 0.533 30.268 29.762 -0.044 0.000 1.455 806 H HN 0.127 nan 8.280 nan 0.000 0.519 807 F N 0.291 120.300 119.950 0.098 0.000 2.654 807 F HA 0.637 5.163 4.527 -0.002 0.000 0.308 807 F C -2.185 173.646 175.800 0.051 0.000 1.108 807 F CA -1.340 56.707 58.000 0.079 0.000 0.957 807 F CB 0.797 39.841 39.000 0.073 0.000 1.309 807 F HN 0.189 nan 8.300 nan 0.000 0.446 808 L N 3.047 124.417 121.223 0.245 0.000 2.303 808 L HA 0.924 5.263 4.340 -0.002 0.000 0.266 808 L C -0.566 176.358 176.870 0.089 0.000 1.011 808 L CA -0.933 53.986 54.840 0.130 0.000 0.818 808 L CB 2.032 44.193 42.059 0.171 0.000 1.326 808 L HN 0.922 nan 8.230 nan 0.000 0.435 809 L N -1.765 119.471 121.223 0.021 0.000 2.892 809 L HA 1.049 5.388 4.340 -0.002 0.000 0.269 809 L C -0.224 176.580 176.870 -0.110 0.000 1.058 809 L CA -0.591 54.208 54.840 -0.068 0.000 0.923 809 L CB 1.602 43.663 42.059 0.004 0.000 1.518 809 L HN 0.906 nan 8.230 nan 0.000 0.402 810 G N -1.181 107.523 108.800 -0.160 0.000 2.758 810 G HA2 0.479 4.438 3.960 -0.002 0.000 0.686 810 G HA3 0.479 4.438 3.960 -0.002 0.000 0.686 810 G C 0.279 175.081 174.900 -0.164 0.000 1.389 810 G CA -0.077 44.901 45.100 -0.203 0.000 0.845 810 G HN 3.006 nan 8.290 nan 0.000 0.572 811 G N -0.499 108.209 108.800 -0.152 0.000 2.725 811 G HA2 0.187 4.146 3.960 -0.002 0.000 0.220 811 G HA3 0.187 4.146 3.960 -0.002 0.000 0.220 811 G C 0.670 175.565 174.900 -0.008 0.000 1.357 811 G CA 1.294 46.366 45.100 -0.046 0.000 0.866 811 G HN 2.711 nan 8.290 nan 0.000 0.548 812 H N -1.232 117.832 119.070 -0.009 0.000 2.389 812 H HA 0.083 4.638 4.556 -0.002 0.000 0.299 812 H C 1.969 177.316 175.328 0.031 0.000 1.081 812 H CA 1.924 57.981 56.048 0.014 0.000 1.345 812 H CB -0.013 29.748 29.762 -0.002 0.000 1.393 812 H HN 0.600 nan 8.280 nan 0.000 0.520 813 D N -0.379 119.522 120.400 -0.832 0.000 2.327 813 D HA 0.076 4.715 4.640 -0.002 0.000 0.205 813 D C 1.673 177.931 176.300 -0.069 0.000 0.989 813 D CA 0.697 54.460 54.000 -0.394 0.000 0.873 813 D CB -0.246 40.291 40.800 -0.439 0.000 0.955 813 D HN 0.661 nan 8.370 nan 0.000 0.515 814 G N -0.234 108.487 108.800 -0.132 0.000 2.130 814 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.216 814 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.216 814 G C -0.242 174.457 174.900 -0.334 0.000 0.999 814 G CA 0.193 45.175 45.100 -0.197 0.000 0.686 814 G HN 0.390 nan 8.290 nan 0.000 0.515 815 Y N -0.951 119.324 120.300 -0.042 0.000 2.658 815 Y HA 0.407 4.957 4.550 -0.002 0.000 0.273 815 Y C 1.689 177.660 175.900 0.119 0.000 0.992 815 Y CA -0.797 57.358 58.100 0.091 0.000 1.105 815 Y CB 0.559 39.090 38.460 0.119 0.000 1.188 815 Y HN 0.103 nan 8.280 nan 0.000 0.616 816 R N 0.114 120.691 120.500 0.129 0.000 2.237 816 R HA 0.351 4.690 4.340 -0.002 0.000 0.195 816 R C -0.082 176.308 176.300 0.150 0.000 0.956 816 R CA 0.466 56.607 56.100 0.069 0.000 1.029 816 R CB 0.689 30.957 30.300 -0.054 0.000 0.972 816 R HN 0.315 nan 8.270 nan 0.000 0.493 817 I N 1.394 122.045 120.570 0.135 0.000 2.404 817 I HA 0.260 4.429 4.170 -0.002 0.000 0.293 817 I C -0.892 175.330 176.117 0.176 0.000 0.992 817 I CA -1.050 60.346 61.300 0.161 0.000 1.149 817 I CB 2.098 40.111 38.000 0.021 0.000 1.315 817 I HN -0.215 nan 8.210 nan 0.000 0.446 818 L N 7.422 128.723 121.223 0.130 0.000 2.319 818 L HA 0.603 4.942 4.340 -0.002 0.000 0.281 818 L C -0.983 175.819 176.870 -0.114 0.000 1.005 818 L CA 0.048 54.800 54.840 -0.146 0.000 0.828 818 L CB 0.990 42.648 42.059 -0.668 0.000 1.227 818 L HN 0.657 nan 8.230 nan 0.000 0.415 819 C N 3.850 122.915 119.300 -0.392 0.000 2.435 819 C HA 0.929 5.388 4.460 -0.002 0.000 0.333 819 C C 0.522 175.099 174.990 -0.687 0.000 1.202 819 C CA -0.393 58.292 59.018 -0.554 0.000 1.830 819 C CB 1.035 28.227 27.740 -0.913 0.000 2.326 819 C HN 0.955 nan 8.230 nan 0.000 0.507 820 A N 2.829 125.377 122.820 -0.453 0.000 3.464 820 A HA 0.530 4.849 4.320 -0.002 0.000 0.243 820 A C -3.017 174.459 177.584 -0.181 0.000 1.100 820 A CA -0.622 51.126 52.037 -0.482 0.000 0.957 820 A CB -0.132 18.381 19.000 -0.811 0.000 1.340 820 A HN 0.635 nan 8.150 nan 0.000 0.645 821 P HA 0.226 nan 4.420 nan 0.000 0.269 821 P C 0.291 177.611 177.300 0.034 0.000 1.209 821 P CA 0.131 63.241 63.100 0.016 0.000 0.776 821 P CB 0.776 32.526 31.700 0.083 0.000 0.876 822 V N 3.290 123.232 119.914 0.046 0.000 2.529 822 V HA -0.013 4.106 4.120 -0.002 0.000 0.292 822 V C 1.595 177.698 176.094 0.014 0.000 1.028 822 V CA 0.414 62.759 62.300 0.075 0.000 1.074 822 V CB 0.571 32.450 31.823 0.095 0.000 0.958 822 V HN 0.505 nan 8.190 nan 0.000 0.481 823 V N 0.817 120.713 119.914 -0.031 0.000 3.319 823 V HA 0.415 4.534 4.120 -0.002 0.000 0.317 823 V C -0.194 175.616 176.094 -0.474 0.000 1.411 823 V CA -0.359 61.788 62.300 -0.256 0.000 1.112 823 V CB -0.677 30.956 31.823 -0.317 0.000 1.031 823 V HN 0.713 nan 8.190 nan 0.000 0.448 824 W N -0.013 121.307 121.300 0.032 0.000 2.844 824 W HA 0.635 5.294 4.660 -0.002 0.000 0.340 824 W C 0.185 176.716 176.519 0.019 0.000 1.093 824 W CA -0.622 56.743 57.345 0.034 0.000 1.212 824 W CB 1.399 30.890 29.460 0.053 0.000 1.422 824 W HN -0.055 nan 8.180 nan 0.000 0.515 825 E N 1.128 121.494 120.200 0.276 0.000 2.390 825 E HA 0.064 4.413 4.350 -0.002 0.000 0.261 825 E C 0.065 176.758 176.600 0.154 0.000 1.076 825 E CA 0.165 56.661 56.400 0.160 0.000 0.905 825 E CB 0.240 30.017 29.700 0.128 0.000 0.984 825 E HN 0.653 nan 8.360 nan 0.000 0.427 826 N N 0.678 119.439 118.700 0.102 0.000 2.721 826 N HA -0.228 4.511 4.740 -0.002 0.000 0.249 826 N C -1.460 174.100 175.510 0.083 0.000 1.072 826 N CA 0.708 53.807 53.050 0.081 0.000 0.710 826 N CB -0.661 37.869 38.487 0.072 0.000 0.993 826 N HN 0.170 nan 8.380 nan 0.000 0.547 827 S N -0.693 115.069 115.700 0.104 0.000 2.532 827 S HA 0.606 5.075 4.470 -0.002 0.000 0.299 827 S C 0.551 175.207 174.600 0.093 0.000 1.105 827 S CA -0.066 58.200 58.200 0.110 0.000 1.018 827 S CB 1.310 64.620 63.200 0.183 0.000 1.021 827 S HN 0.293 nan 8.310 nan 0.000 0.483 828 T N 0.557 115.156 114.554 0.076 0.000 3.288 828 T HA 0.431 4.780 4.350 -0.002 0.000 0.293 828 T C -0.276 174.462 174.700 0.064 0.000 1.008 828 T CA -0.427 61.709 62.100 0.060 0.000 0.929 828 T CB -0.255 68.635 68.868 0.037 0.000 1.152 828 T HN 0.656 nan 8.240 nan 0.000 0.517 829 E N 0.807 121.066 120.200 0.098 0.000 2.393 829 E HA 0.798 5.147 4.350 -0.002 0.000 0.273 829 E C -0.707 176.000 176.600 0.178 0.000 0.918 829 E CA -1.194 55.280 56.400 0.123 0.000 0.773 829 E CB 1.444 31.210 29.700 0.110 0.000 1.275 829 E HN 0.387 nan 8.360 nan 0.000 0.451 830 R N -0.382 120.255 120.500 0.227 0.000 2.629 830 R HA 0.404 4.743 4.340 -0.002 0.000 0.266 830 R C -1.315 175.133 176.300 0.247 0.000 1.051 830 R CA -0.858 55.387 56.100 0.242 0.000 0.895 830 R CB 1.287 31.726 30.300 0.231 0.000 1.246 830 R HN 0.596 nan 8.270 nan 0.000 0.459 831 E N 2.419 122.751 120.200 0.221 0.000 2.265 831 E HA 0.175 4.524 4.350 -0.002 0.000 0.272 831 E C -1.185 175.491 176.600 0.127 0.000 1.067 831 E CA -0.503 55.989 56.400 0.152 0.000 0.900 831 E CB 0.713 30.507 29.700 0.156 0.000 1.017 831 E HN 0.481 nan 8.360 nan 0.000 0.431 832 L N 6.441 127.674 121.223 0.017 0.000 2.322 832 L HA 0.357 4.696 4.340 -0.002 0.000 0.281 832 L C -1.706 175.116 176.870 -0.080 0.000 1.014 832 L CA -0.719 54.095 54.840 -0.044 0.000 0.815 832 L CB 1.173 42.966 42.059 -0.443 0.000 1.247 832 L HN 0.511 nan 8.230 nan 0.000 0.421 833 Y N 5.535 125.777 120.300 -0.097 0.000 2.326 833 Y HA 0.594 5.143 4.550 -0.002 0.000 0.331 833 Y C -1.379 174.288 175.900 -0.388 0.000 0.962 833 Y CA -0.975 56.935 58.100 -0.317 0.000 1.167 833 Y CB 1.168 39.382 38.460 -0.410 0.000 1.148 833 Y HN 0.545 nan 8.280 nan 0.000 0.463 834 L N 9.262 129.747 121.223 -1.230 0.000 2.265 834 L HA 0.431 4.770 4.340 -0.002 0.000 0.288 834 L C -2.238 173.840 176.870 -1.320 0.000 1.058 834 L CA -2.078 52.022 54.840 -1.234 0.000 0.809 834 L CB 0.769 42.306 42.059 -0.870 0.000 1.179 834 L HN 0.521 nan 8.230 nan 0.000 0.429 835 P HA -0.069 nan 4.420 nan 0.000 0.264 835 P C -0.114 177.052 177.300 -0.223 0.000 1.183 835 P CA 0.099 62.808 63.100 -0.652 0.000 0.763 835 P CB 0.754 31.813 31.700 -1.068 0.000 0.807 836 V N 5.933 125.819 119.914 -0.046 0.000 3.133 836 V HA 0.125 4.244 4.120 -0.002 0.000 0.305 836 V C 0.673 176.875 176.094 0.179 0.000 1.084 836 V CA -0.216 62.140 62.300 0.093 0.000 1.089 836 V CB -0.456 31.451 31.823 0.140 0.000 1.073 836 V HN 0.513 nan 8.190 nan 0.000 0.477 837 L N 3.576 124.855 121.223 0.093 0.000 3.533 837 L HA -0.143 4.196 4.340 -0.002 0.000 0.477 837 L C -0.067 176.819 176.870 0.027 0.000 1.306 837 L CA 0.878 55.752 54.840 0.057 0.000 0.850 837 L CB -2.242 39.853 42.059 0.060 0.000 1.654 837 L HN 1.011 nan 8.230 nan 0.000 0.863 838 T N -1.484 113.044 114.554 -0.043 0.000 2.737 838 T HA 0.341 4.690 4.350 -0.002 0.000 0.312 838 T C -1.898 172.601 174.700 -0.335 0.000 1.857 838 T CA -0.762 61.219 62.100 -0.197 0.000 0.999 838 T CB 1.347 70.061 68.868 -0.258 0.000 1.854 838 T HN 0.241 nan 8.240 nan 0.000 0.513 839 Q N 0.742 120.240 119.800 -0.504 0.000 2.345 839 Q HA 0.575 4.914 4.340 -0.002 0.000 0.268 839 Q C -1.367 174.151 176.000 -0.803 0.000 1.054 839 Q CA -0.450 55.057 55.803 -0.494 0.000 0.835 839 Q CB 2.055 30.599 28.738 -0.324 0.000 1.339 839 Q HN 0.649 nan 8.270 nan 0.000 0.447 840 W N 0.783 121.856 121.300 -0.378 0.000 2.781 840 W HA 0.528 5.187 4.660 -0.002 0.000 0.345 840 W C -0.924 175.306 176.519 -0.483 0.000 1.085 840 W CA -0.560 56.602 57.345 -0.304 0.000 1.198 840 W CB 1.081 30.398 29.460 -0.237 0.000 1.423 840 W HN 0.420 nan 8.180 nan 0.000 0.532 841 Y N 1.433 121.924 120.300 0.319 0.000 2.338 841 Y HA 0.274 4.823 4.550 -0.002 0.000 0.333 841 Y C 0.457 176.467 175.900 0.184 0.000 0.968 841 Y CA -1.604 56.617 58.100 0.202 0.000 1.123 841 Y CB 1.482 40.005 38.460 0.107 0.000 1.165 841 Y HN 0.182 nan 8.280 nan 0.000 0.452 842 K N 3.083 123.622 120.400 0.231 0.000 2.511 842 K HA 0.087 4.406 4.320 -0.002 0.000 0.280 842 K C -1.306 174.980 176.600 -0.522 0.000 1.008 842 K CA 0.704 56.901 56.287 -0.151 0.000 1.050 842 K CB 0.294 32.779 32.500 -0.025 0.000 0.889 842 K HN 0.642 nan 8.250 nan 0.000 0.484 843 F N 0.776 120.322 119.950 -0.673 0.000 2.894 843 F HA 0.645 5.171 4.527 -0.001 0.000 0.332 843 F C 0.123 175.734 175.800 -0.315 0.000 1.192 843 F CA 0.541 58.203 58.000 -0.564 0.000 0.980 843 F CB 1.661 40.572 39.000 -0.147 0.000 1.448 843 F HN 0.715 nan 8.300 nan 0.000 0.514 844 G N 0.707 108.978 108.800 -0.881 0.000 2.357 844 G HA2 0.132 4.091 3.960 -0.002 0.000 0.289 844 G HA3 0.132 4.091 3.960 -0.002 0.000 0.289 844 G C -2.870 171.130 174.900 -1.499 0.000 1.302 844 G CA -0.387 43.974 45.100 -1.232 0.000 0.936 844 G HN 0.360 nan 8.290 nan 0.000 0.513 845 P HA 0.108 nan 4.420 nan 0.000 0.226 845 P C 0.898 177.877 177.300 -0.534 0.000 1.153 845 P CA 1.264 63.813 63.100 -0.917 0.000 0.777 845 P CB 0.165 31.306 31.700 -0.933 0.000 0.794 846 D N -1.437 118.656 120.400 -0.511 0.000 2.183 846 D HA -0.048 4.591 4.640 -0.002 0.000 0.203 846 D C 1.367 177.408 176.300 -0.431 0.000 0.969 846 D CA 0.972 54.715 54.000 -0.427 0.000 0.842 846 D CB -0.741 39.764 40.800 -0.491 0.000 0.957 846 D HN 0.187 nan 8.370 nan 0.000 0.484 847 F N 0.598 120.266 119.950 -0.470 0.000 2.661 847 F HA -0.025 4.501 4.527 -0.002 0.000 0.298 847 F C 1.882 177.581 175.800 -0.168 0.000 1.137 847 F CA 0.332 58.124 58.000 -0.346 0.000 1.454 847 F CB 0.016 38.721 39.000 -0.491 0.000 1.103 847 F HN -0.153 nan 8.300 nan 0.000 0.577 848 D N -0.071 120.300 120.400 -0.048 0.000 2.221 848 D HA -0.158 4.481 4.640 -0.002 0.000 0.204 848 D C 1.717 178.123 176.300 0.176 0.000 0.982 848 D CA 1.743 55.847 54.000 0.172 0.000 0.857 848 D CB -0.019 40.909 40.800 0.214 0.000 0.934 848 D HN 0.235 nan 8.370 nan 0.000 0.475 849 T N -3.241 111.345 114.554 0.053 0.000 3.252 849 T HA 0.233 4.582 4.350 -0.002 0.000 0.286 849 T C 0.240 174.936 174.700 -0.006 0.000 1.013 849 T CA -0.718 61.405 62.100 0.037 0.000 0.914 849 T CB 0.044 68.908 68.868 -0.006 0.000 1.131 849 T HN 0.251 nan 8.240 nan 0.000 0.529 850 K N -0.472 119.925 120.400 -0.006 0.000 2.555 850 K HA 0.699 5.018 4.320 -0.002 0.000 0.279 850 K C -3.549 173.107 176.600 0.094 0.000 0.986 850 K CA -2.205 54.070 56.287 -0.020 0.000 0.880 850 K CB 0.959 33.364 32.500 -0.159 0.000 1.474 850 K HN -0.231 nan 8.250 nan 0.000 0.433 851 P HA 0.113 nan 4.420 nan 0.000 0.272 851 P C -0.342 177.170 177.300 0.353 0.000 1.230 851 P CA -0.398 62.806 63.100 0.174 0.000 0.788 851 P CB 0.388 32.154 31.700 0.109 0.000 0.949 852 L N 1.001 122.437 121.223 0.354 0.000 2.461 852 L HA 0.110 4.449 4.340 -0.002 0.000 0.272 852 L C 1.265 178.361 176.870 0.377 0.000 1.197 852 L CA 0.092 55.181 54.840 0.415 0.000 0.836 852 L CB -0.216 41.967 42.059 0.206 0.000 1.105 852 L HN 0.376 nan 8.230 nan 0.000 0.477 853 E N 0.769 121.229 120.200 0.433 0.000 2.345 853 E HA 0.243 4.592 4.350 -0.002 0.000 0.259 853 E C 0.310 177.109 176.600 0.332 0.000 1.117 853 E CA -0.452 56.152 56.400 0.340 0.000 0.913 853 E CB 0.606 30.513 29.700 0.345 0.000 1.057 853 E HN 0.737 nan 8.360 nan 0.000 0.432 854 G N 0.273 109.227 108.800 0.257 0.000 2.818 854 G HA2 0.146 4.105 3.960 -0.002 0.000 0.235 854 G HA3 0.146 4.105 3.960 -0.002 0.000 0.235 854 G C -0.158 174.878 174.900 0.227 0.000 1.244 854 G CA -0.005 45.239 45.100 0.240 0.000 0.853 854 G HN 0.527 nan 8.290 nan 0.000 0.596 855 A N 1.135 124.038 122.820 0.139 0.000 2.425 855 A HA 0.564 4.883 4.320 -0.002 0.000 0.249 855 A C 0.479 177.976 177.584 -0.146 0.000 1.084 855 A CA -0.021 51.870 52.037 -0.243 0.000 0.781 855 A CB 0.272 19.131 19.000 -0.235 0.000 1.019 855 A HN 0.630 nan 8.150 nan 0.000 0.490 856 M N 2.611 122.088 119.600 -0.206 0.000 2.180 856 M HA 0.189 4.668 4.480 -0.002 0.000 0.350 856 M C -0.530 175.721 176.300 -0.082 0.000 1.125 856 M CA -0.605 54.647 55.300 -0.080 0.000 1.031 856 M CB 1.034 33.611 32.600 -0.038 0.000 1.623 856 M HN 0.657 nan 8.290 nan 0.000 0.451 857 N N 2.297 120.960 118.700 -0.061 0.000 2.452 857 N HA 0.157 4.896 4.740 -0.002 0.000 0.266 857 N C 0.124 175.606 175.510 -0.046 0.000 1.209 857 N CA 0.171 53.190 53.050 -0.052 0.000 0.929 857 N CB 0.771 39.237 38.487 -0.035 0.000 1.063 857 N HN 0.833 nan 8.380 nan 0.000 0.472 858 G N 0.101 108.895 108.800 -0.010 0.000 2.441 858 G HA2 0.404 4.363 3.960 -0.002 0.000 0.243 858 G HA3 0.404 4.363 3.960 -0.002 0.000 0.243 858 G C 0.975 175.828 174.900 -0.078 0.000 1.281 858 G CA 0.056 45.161 45.100 0.009 0.000 0.854 858 G HN 0.781 nan 8.290 nan 0.000 0.560 859 G N 1.466 110.131 108.800 -0.225 0.000 2.176 859 G HA2 -0.221 3.738 3.960 -0.002 0.000 0.232 859 G HA3 -0.221 3.738 3.960 -0.002 0.000 0.232 859 G C 0.062 174.964 174.900 0.003 0.000 0.986 859 G CA 0.193 45.263 45.100 -0.050 0.000 0.643 859 G HN 0.784 nan 8.290 nan 0.000 0.522 860 D N 0.300 120.596 120.400 -0.174 0.000 2.308 860 D HA 0.518 5.157 4.640 -0.002 0.000 0.251 860 D C 0.577 176.832 176.300 -0.075 0.000 1.127 860 D CA -0.027 53.908 54.000 -0.107 0.000 0.876 860 D CB 0.750 41.464 40.800 -0.145 0.000 1.176 860 D HN 0.298 nan 8.370 nan 0.000 0.446 861 R N 2.946 123.440 120.500 -0.010 0.000 2.310 861 R HA 0.486 4.825 4.340 -0.002 0.000 0.324 861 R C -0.769 175.393 176.300 -0.231 0.000 0.955 861 R CA -0.581 55.450 56.100 -0.114 0.000 0.830 861 R CB 0.517 30.705 30.300 -0.186 0.000 1.154 861 R HN 0.422 nan 8.270 nan 0.000 0.458 862 I N 5.050 125.476 120.570 -0.240 0.000 2.382 862 I HA 0.248 4.417 4.170 -0.002 0.000 0.285 862 I C -0.787 175.255 176.117 -0.126 0.000 1.007 862 I CA -0.937 60.297 61.300 -0.110 0.000 1.142 862 I CB 1.045 39.070 38.000 0.041 0.000 1.289 862 I HN 0.463 nan 8.210 nan 0.000 0.453 863 Y N 5.362 125.726 120.300 0.108 0.000 2.359 863 Y HA 0.177 4.726 4.550 -0.002 0.000 0.330 863 Y C 1.116 177.092 175.900 0.127 0.000 1.143 863 Y CA -0.323 57.841 58.100 0.108 0.000 1.318 863 Y CB 0.359 38.865 38.460 0.077 0.000 1.234 863 Y HN 0.596 nan 8.280 nan 0.000 0.522 864 N N 0.917 119.786 118.700 0.283 0.000 2.754 864 N HA -0.308 4.431 4.740 -0.002 0.000 0.248 864 N C -0.931 174.702 175.510 0.205 0.000 1.093 864 N CA 0.360 53.535 53.050 0.208 0.000 0.699 864 N CB -1.831 36.751 38.487 0.159 0.000 1.016 864 N HN 0.705 nan 8.380 nan 0.000 0.552 865 Y N 2.676 123.037 120.300 0.102 0.000 2.632 865 Y HA 0.134 4.683 4.550 -0.002 0.000 0.329 865 Y C -1.790 174.167 175.900 0.095 0.000 1.174 865 Y CA -1.183 56.972 58.100 0.091 0.000 1.469 865 Y CB 0.633 39.143 38.460 0.085 0.000 1.242 865 Y HN 0.113 nan 8.280 nan 0.000 0.540 866 P HA 0.088 nan 4.420 nan 0.000 0.276 866 P C -1.253 175.883 177.300 -0.273 0.000 1.235 866 P CA 0.015 62.977 63.100 -0.230 0.000 0.772 866 P CB 1.348 32.933 31.700 -0.193 0.000 0.871 867 V N 5.470 125.345 119.914 -0.066 0.000 2.465 867 V HA 0.214 4.333 4.120 -0.002 0.000 0.263 867 V C -1.990 174.112 176.094 0.013 0.000 0.981 867 V CA -1.878 60.421 62.300 -0.001 0.000 0.838 867 V CB 1.150 33.028 31.823 0.092 0.000 1.068 867 V HN 0.509 nan 8.190 nan 0.000 0.458 868 P HA 0.027 nan 4.420 nan 0.000 0.271 868 P C 0.768 178.079 177.300 0.019 0.000 1.233 868 P CA 0.088 63.194 63.100 0.009 0.000 0.789 868 P CB 1.207 32.908 31.700 0.001 0.000 0.951 869 Q N 1.072 120.883 119.800 0.017 0.000 2.152 869 Q HA -0.168 4.171 4.340 -0.002 0.000 0.206 869 Q C 1.701 177.704 176.000 0.006 0.000 0.985 869 Q CA 2.348 58.156 55.803 0.008 0.000 0.863 869 Q CB -0.325 28.419 28.738 0.011 0.000 0.904 869 Q HN 0.587 nan 8.270 nan 0.000 0.422 870 S N -0.886 114.836 115.700 0.036 0.000 2.660 870 S HA 0.048 4.517 4.470 -0.002 0.000 0.228 870 S C 0.096 174.805 174.600 0.181 0.000 0.966 870 S CA 0.107 58.359 58.200 0.087 0.000 0.940 870 S CB 0.116 63.351 63.200 0.058 0.000 0.773 870 S HN 0.246 nan 8.310 nan 0.000 0.535 871 E N 0.046 120.323 120.200 0.128 0.000 2.340 871 E HA 0.604 4.953 4.350 -0.002 0.000 0.273 871 E C -1.464 175.223 176.600 0.144 0.000 0.891 871 E CA -0.544 55.969 56.400 0.188 0.000 0.757 871 E CB 2.322 32.073 29.700 0.086 0.000 1.231 871 E HN 0.147 nan 8.360 nan 0.000 0.439 872 S N 1.319 117.165 115.700 0.243 0.000 2.599 872 S HA 0.620 5.089 4.470 -0.002 0.000 0.294 872 S C -2.740 171.910 174.600 0.082 0.000 1.094 872 S CA -1.682 56.593 58.200 0.125 0.000 0.931 872 S CB 1.412 64.681 63.200 0.116 0.000 1.093 872 S HN 0.168 nan 8.310 nan 0.000 0.488 873 P HA 0.553 nan 4.420 nan 0.000 0.291 873 P C -1.321 175.879 177.300 -0.167 0.000 1.340 873 P CA -0.073 63.024 63.100 -0.005 0.000 0.799 873 P CB 0.237 32.066 31.700 0.214 0.000 0.917 874 I N 4.351 124.600 120.570 -0.536 0.000 2.571 874 I HA 0.413 4.582 4.170 -0.002 0.000 0.289 874 I C -0.838 174.901 176.117 -0.629 0.000 1.115 874 I CA -0.522 60.592 61.300 -0.310 0.000 1.045 874 I CB 1.518 39.525 38.000 0.012 0.000 1.238 874 I HN 0.144 nan 8.210 nan 0.000 0.424 875 F N 5.273 125.274 119.950 0.084 0.000 2.540 875 F HA 0.621 5.147 4.527 -0.002 0.000 0.317 875 F C -0.227 175.719 175.800 0.243 0.000 1.104 875 F CA -1.126 56.956 58.000 0.136 0.000 0.913 875 F CB 1.884 40.879 39.000 -0.008 0.000 1.170 875 F HN -0.072 nan 8.300 nan 0.000 0.450 876 V N 3.143 123.217 119.914 0.267 0.000 2.394 876 V HA 0.427 4.546 4.120 -0.002 0.000 0.282 876 V C 0.272 176.394 176.094 0.046 0.000 1.031 876 V CA -0.945 61.328 62.300 -0.044 0.000 0.881 876 V CB 1.428 32.715 31.823 -0.893 0.000 0.982 876 V HN 0.716 nan 8.190 nan 0.000 0.451 877 R N 2.993 123.468 120.500 -0.041 0.000 2.738 877 R HA 0.164 4.503 4.340 -0.002 0.000 0.268 877 R C 0.547 176.737 176.300 -0.184 0.000 1.062 877 R CA -0.334 55.518 56.100 -0.412 0.000 1.158 877 R CB 0.607 30.519 30.300 -0.647 0.000 1.046 877 R HN 0.920 nan 8.270 nan 0.000 0.493 878 E N 1.320 121.429 120.200 -0.151 0.000 2.418 878 E HA 0.137 4.486 4.350 -0.002 0.000 0.261 878 E C 0.427 177.010 176.600 -0.029 0.000 1.070 878 E CA 0.165 56.589 56.400 0.038 0.000 0.931 878 E CB 0.483 30.215 29.700 0.053 0.000 0.954 878 E HN 0.806 nan 8.360 nan 0.000 0.439 879 G N 1.103 109.916 108.800 0.022 0.000 2.148 879 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.254 879 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.254 879 G C 0.205 175.114 174.900 0.016 0.000 0.981 879 G CA 0.024 45.123 45.100 -0.001 0.000 0.670 879 G HN 0.962 nan 8.290 nan 0.000 0.528 880 A N -0.150 122.697 122.820 0.046 0.000 2.301 880 A HA 0.792 5.111 4.320 -0.002 0.000 0.298 880 A C 0.120 177.807 177.584 0.172 0.000 1.185 880 A CA -0.262 51.816 52.037 0.069 0.000 0.830 880 A CB 0.571 19.527 19.000 -0.074 0.000 1.112 880 A HN 0.776 nan 8.150 nan 0.000 0.508 881 I N 3.224 123.872 120.570 0.129 0.000 2.410 881 I HA 0.293 4.462 4.170 -0.002 0.000 0.286 881 I C -0.824 175.396 176.117 0.172 0.000 1.009 881 I CA -0.090 61.309 61.300 0.164 0.000 1.111 881 I CB 1.473 39.523 38.000 0.084 0.000 1.262 881 I HN 0.454 nan 8.210 nan 0.000 0.443 882 L N 8.217 129.564 121.223 0.208 0.000 2.305 882 L HA 0.487 4.826 4.340 -0.002 0.000 0.284 882 L C -2.306 174.610 176.870 0.076 0.000 1.013 882 L CA -1.934 52.961 54.840 0.093 0.000 0.819 882 L CB 1.900 43.971 42.059 0.021 0.000 1.227 882 L HN 0.251 nan 8.230 nan 0.000 0.417 883 P HA 0.106 nan 4.420 nan 0.000 0.267 883 P C -0.738 176.506 177.300 -0.093 0.000 1.209 883 P CA 0.079 63.046 63.100 -0.221 0.000 0.763 883 P CB 0.855 32.456 31.700 -0.165 0.000 0.816 884 T N 4.274 118.784 114.554 -0.072 0.000 2.916 884 T HA 0.460 4.809 4.350 -0.002 0.000 0.298 884 T C -0.369 174.308 174.700 -0.038 0.000 1.031 884 T CA -0.780 61.353 62.100 0.054 0.000 0.993 884 T CB 1.498 70.488 68.868 0.204 0.000 1.045 884 T HN 0.218 nan 8.240 nan 0.000 0.454 885 R N 1.820 122.245 120.500 -0.126 0.000 2.534 885 R HA 0.546 4.885 4.340 -0.002 0.000 0.301 885 R C -1.450 174.755 176.300 -0.159 0.000 0.961 885 R CA -0.664 55.424 56.100 -0.020 0.000 0.871 885 R CB 1.590 31.938 30.300 0.079 0.000 1.170 885 R HN 0.653 nan 8.270 nan 0.000 0.446 886 Y N -0.403 120.026 120.300 0.217 0.000 2.549 886 Y HA 0.311 4.860 4.550 -0.002 0.000 0.339 886 Y C 1.043 177.000 175.900 0.095 0.000 1.053 886 Y CA -0.817 57.403 58.100 0.200 0.000 1.105 886 Y CB 1.636 40.236 38.460 0.233 0.000 1.258 886 Y HN 0.507 nan 8.280 nan 0.000 0.478 887 T N -0.349 114.327 114.554 0.203 0.000 2.869 887 T HA 0.136 4.485 4.350 -0.002 0.000 0.295 887 T C 0.889 175.617 174.700 0.047 0.000 0.987 887 T CA -0.655 61.428 62.100 -0.028 0.000 1.109 887 T CB 0.962 69.785 68.868 -0.075 0.000 0.932 887 T HN 0.635 nan 8.240 nan 0.000 0.518 888 L N 2.797 124.005 121.223 -0.026 0.000 2.013 888 L HA -0.132 4.207 4.340 -0.002 0.000 0.212 888 L C 2.244 179.155 176.870 0.068 0.000 1.073 888 L CA 2.294 57.148 54.840 0.022 0.000 0.753 888 L CB -1.042 41.014 42.059 -0.004 0.000 0.890 888 L HN 0.965 nan 8.230 nan 0.000 0.432 889 N N -1.099 117.614 118.700 0.022 0.000 2.463 889 N HA 0.100 4.839 4.740 -0.002 0.000 0.181 889 N C 1.410 176.936 175.510 0.026 0.000 1.078 889 N CA 1.006 54.066 53.050 0.017 0.000 0.902 889 N CB -0.089 38.394 38.487 -0.007 0.000 0.970 889 N HN 0.384 nan 8.380 nan 0.000 0.451 890 G N -0.768 108.065 108.800 0.056 0.000 2.217 890 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.246 890 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.246 890 G C -0.378 174.550 174.900 0.047 0.000 0.990 890 G CA 0.164 45.303 45.100 0.065 0.000 0.627 890 G HN 0.498 nan 8.290 nan 0.000 0.522 891 E N 0.976 121.191 120.200 0.025 0.000 2.313 891 E HA 0.361 4.710 4.350 -0.002 0.000 0.272 891 E C -0.347 176.269 176.600 0.027 0.000 1.038 891 E CA -0.844 55.565 56.400 0.016 0.000 0.863 891 E CB 0.518 30.222 29.700 0.006 0.000 1.060 891 E HN 0.225 nan 8.360 nan 0.000 0.402 892 N N 3.381 122.097 118.700 0.026 0.000 2.442 892 N HA 0.047 4.787 4.740 -0.002 0.000 0.265 892 N C -0.277 175.271 175.510 0.063 0.000 1.138 892 N CA 0.244 53.317 53.050 0.038 0.000 0.956 892 N CB 0.759 39.240 38.487 -0.011 0.000 1.067 892 N HN 0.453 nan 8.380 nan 0.000 0.474 893 K N -1.052 119.415 120.400 0.112 0.000 2.395 893 K HA 0.506 4.825 4.320 -0.002 0.000 0.245 893 K C -0.340 176.445 176.600 0.307 0.000 1.017 893 K CA -0.808 55.567 56.287 0.146 0.000 0.852 893 K CB 1.012 33.545 32.500 0.055 0.000 1.311 893 K HN 0.377 nan 8.250 nan 0.000 0.452 894 S N 0.724 116.586 115.700 0.270 0.000 2.572 894 S HA 0.095 4.564 4.470 -0.002 0.000 0.279 894 S C 1.500 176.375 174.600 0.458 0.000 1.341 894 S CA -0.739 57.652 58.200 0.318 0.000 1.043 894 S CB 0.197 63.462 63.200 0.109 0.000 0.887 894 S HN 0.627 nan 8.310 nan 0.000 0.516 895 L N 1.646 123.054 121.223 0.308 0.000 2.129 895 L HA -0.215 4.124 4.340 -0.002 0.000 0.212 895 L C 2.392 179.334 176.870 0.120 0.000 1.087 895 L CA 1.943 56.768 54.840 -0.025 0.000 0.757 895 L CB -1.147 40.699 42.059 -0.355 0.000 0.896 895 L HN 0.916 nan 8.230 nan 0.000 0.434 896 N N -0.943 117.836 118.700 0.132 0.000 2.515 896 N HA -0.129 4.611 4.740 -0.002 0.000 0.185 896 N C 1.218 176.922 175.510 0.324 0.000 1.109 896 N CA 1.199 54.372 53.050 0.204 0.000 0.903 896 N CB -0.288 38.247 38.487 0.079 0.000 0.969 896 N HN 0.313 nan 8.380 nan 0.000 0.450 897 T N -4.916 109.808 114.554 0.284 0.000 3.054 897 T HA 0.155 4.504 4.350 -0.002 0.000 0.255 897 T C -0.069 174.755 174.700 0.207 0.000 1.035 897 T CA -0.505 61.723 62.100 0.214 0.000 0.941 897 T CB -0.533 68.417 68.868 0.137 0.000 1.026 897 T HN 0.019 nan 8.240 nan 0.000 0.533 898 Y N 3.940 124.294 120.300 0.090 0.000 2.610 898 Y HA 0.336 4.885 4.550 -0.002 0.000 0.332 898 Y C 1.527 177.468 175.900 0.069 0.000 1.201 898 Y CA -0.018 58.129 58.100 0.079 0.000 1.465 898 Y CB 0.382 38.887 38.460 0.076 0.000 1.283 898 Y HN 0.284 nan 8.280 nan 0.000 0.563 899 T N -2.022 112.627 114.554 0.158 0.000 2.927 899 T HA 0.266 4.615 4.350 -0.002 0.000 0.286 899 T C 0.453 175.204 174.700 0.085 0.000 1.040 899 T CA -0.930 61.230 62.100 0.099 0.000 1.010 899 T CB 1.242 70.126 68.868 0.028 0.000 1.177 899 T HN 0.412 nan 8.240 nan 0.000 0.546 900 D N 0.299 120.676 120.400 -0.039 0.000 2.384 900 D HA -0.031 4.608 4.640 -0.002 0.000 0.222 900 D C 1.670 177.860 176.300 -0.184 0.000 0.976 900 D CA 0.587 54.406 54.000 -0.302 0.000 0.915 900 D CB 0.049 40.426 40.800 -0.705 0.000 0.896 900 D HN 0.535 nan 8.370 nan 0.000 0.523 901 E N 0.566 120.733 120.200 -0.054 0.000 2.216 901 E HA -0.035 4.314 4.350 -0.002 0.000 0.192 901 E C 0.142 176.764 176.600 0.036 0.000 0.988 901 E CA 0.393 56.789 56.400 -0.006 0.000 0.834 901 E CB -0.119 29.573 29.700 -0.014 0.000 0.772 901 E HN 0.348 nan 8.360 nan 0.000 0.479 902 D N 3.328 123.755 120.400 0.046 0.000 2.346 902 D HA 0.123 4.762 4.640 -0.002 0.000 0.260 902 D C -2.296 174.104 176.300 0.167 0.000 1.252 902 D CA -1.447 52.577 54.000 0.040 0.000 0.895 902 D CB 0.686 41.458 40.800 -0.046 0.000 1.097 902 D HN -0.080 nan 8.370 nan 0.000 0.489 903 P HA -0.074 nan 4.420 nan 0.000 0.264 903 P C -0.192 177.289 177.300 0.302 0.000 1.179 903 P CA -0.246 62.928 63.100 0.123 0.000 0.763 903 P CB 0.512 31.885 31.700 -0.545 0.000 0.806 904 L N 5.300 126.779 121.223 0.425 0.000 2.295 904 L HA 0.486 4.825 4.340 -0.002 0.000 0.285 904 L C -0.994 176.054 176.870 0.295 0.000 1.035 904 L CA -0.249 54.705 54.840 0.191 0.000 0.806 904 L CB 1.420 43.399 42.059 -0.133 0.000 1.214 904 L HN 0.063 nan 8.230 nan 0.000 0.426 905 V N 5.596 125.580 119.914 0.116 0.000 2.577 905 V HA 0.384 4.503 4.120 -0.002 0.000 0.303 905 V C -0.821 175.272 176.094 -0.002 0.000 1.042 905 V CA -0.434 62.035 62.300 0.283 0.000 0.872 905 V CB 1.555 33.688 31.823 0.516 0.000 0.998 905 V HN 0.493 nan 8.190 nan 0.000 0.423 906 F N 2.445 122.606 119.950 0.351 0.000 2.334 906 F HA 0.367 4.893 4.527 -0.002 0.000 0.365 906 F C 0.857 176.732 175.800 0.124 0.000 1.124 906 F CA -0.264 57.885 58.000 0.248 0.000 1.166 906 F CB 0.718 39.919 39.000 0.335 0.000 1.355 906 F HN 0.503 nan 8.300 nan 0.000 0.532 907 E N 3.066 123.369 120.200 0.171 0.000 2.104 907 E HA 0.223 4.572 4.350 -0.002 0.000 0.278 907 E C -0.793 175.778 176.600 -0.048 0.000 1.127 907 E CA -0.340 56.047 56.400 -0.021 0.000 0.897 907 E CB 0.752 30.436 29.700 -0.026 0.000 1.043 907 E HN 0.290 nan 8.360 nan 0.000 0.410 908 V N 6.486 126.329 119.914 -0.118 0.000 2.408 908 V HA 0.159 4.278 4.120 -0.002 0.000 0.267 908 V C 0.034 175.999 176.094 -0.214 0.000 1.047 908 V CA -0.088 62.168 62.300 -0.075 0.000 0.937 908 V CB -0.123 31.670 31.823 -0.050 0.000 0.999 908 V HN 0.538 nan 8.190 nan 0.000 0.472 909 F N 5.738 125.629 119.950 -0.098 0.000 2.375 909 F HA 0.486 5.012 4.527 -0.002 0.000 0.317 909 F C -1.645 174.049 175.800 -0.177 0.000 1.124 909 F CA -2.171 55.728 58.000 -0.168 0.000 1.050 909 F CB 0.553 39.454 39.000 -0.166 0.000 1.314 909 F HN 0.322 nan 8.300 nan 0.000 0.511 910 P HA 0.024 nan 4.420 nan 0.000 0.266 910 P C -0.738 176.578 177.300 0.027 0.000 1.193 910 P CA 0.092 63.143 63.100 -0.081 0.000 0.770 910 P CB 0.325 31.905 31.700 -0.201 0.000 0.836 911 L N 1.474 122.705 121.223 0.013 0.000 2.439 911 L HA 0.379 4.718 4.340 -0.002 0.000 0.269 911 L C 1.254 178.139 176.870 0.024 0.000 1.179 911 L CA -0.014 54.832 54.840 0.010 0.000 0.828 911 L CB 0.009 42.062 42.059 -0.009 0.000 1.106 911 L HN 0.439 nan 8.230 nan 0.000 0.467 912 G N 1.237 110.036 108.800 -0.000 0.000 2.437 912 G HA2 0.271 4.230 3.960 -0.002 0.000 0.315 912 G HA3 0.271 4.230 3.960 -0.002 0.000 0.315 912 G C 0.062 174.945 174.900 -0.027 0.000 1.210 912 G CA -0.338 44.751 45.100 -0.017 0.000 0.943 912 G HN 0.776 nan 8.290 nan 0.000 0.471 913 N N 2.273 120.959 118.700 -0.023 0.000 2.740 913 N HA -0.196 4.543 4.740 -0.002 0.000 0.248 913 N C 0.471 175.967 175.510 -0.024 0.000 1.062 913 N CA 1.021 54.057 53.050 -0.024 0.000 0.704 913 N CB -0.784 37.685 38.487 -0.031 0.000 0.968 913 N HN 0.830 nan 8.380 nan 0.000 0.547 914 N N -1.740 116.949 118.700 -0.018 0.000 2.708 914 N HA -0.244 4.495 4.740 -0.002 0.000 0.251 914 N C 0.174 175.665 175.510 -0.031 0.000 1.123 914 N CA 1.593 54.631 53.050 -0.021 0.000 0.739 914 N CB -0.556 37.919 38.487 -0.020 0.000 1.113 914 N HN 0.708 nan 8.380 nan 0.000 0.561 915 R N -0.115 120.362 120.500 -0.038 0.000 2.795 915 R HA 0.776 5.115 4.340 -0.002 0.000 0.275 915 R C -1.285 174.979 176.300 -0.060 0.000 0.981 915 R CA -0.277 55.790 56.100 -0.055 0.000 0.917 915 R CB 1.729 31.989 30.300 -0.066 0.000 1.202 915 R HN 0.078 nan 8.270 nan 0.000 0.469 916 A N 2.325 125.096 122.820 -0.082 0.000 2.515 916 A HA 0.675 4.994 4.320 -0.002 0.000 0.296 916 A C -1.733 175.747 177.584 -0.173 0.000 1.094 916 A CA -0.688 51.295 52.037 -0.090 0.000 0.718 916 A CB 1.951 20.925 19.000 -0.044 0.000 1.307 916 A HN 0.776 nan 8.150 nan 0.000 0.408 917 D N -1.425 118.831 120.400 -0.240 0.000 2.753 917 D HA 0.634 5.273 4.640 -0.002 0.000 0.224 917 D C -0.317 175.829 176.300 -0.256 0.000 1.213 917 D CA 0.181 53.939 54.000 -0.404 0.000 0.833 917 D CB 2.208 42.462 40.800 -0.910 0.000 1.607 917 D HN 0.921 nan 8.370 nan 0.000 0.463 918 G N 0.299 108.992 108.800 -0.178 0.000 2.718 918 G HA2 0.619 4.578 3.960 -0.002 0.000 0.295 918 G HA3 0.619 4.578 3.960 -0.002 0.000 0.295 918 G C -1.609 173.296 174.900 0.007 0.000 1.421 918 G CA -0.670 44.418 45.100 -0.020 0.000 0.902 918 G HN 0.387 nan 8.290 nan 0.000 0.501 919 M N 1.156 120.816 119.600 0.100 0.000 2.277 919 M HA 0.536 5.015 4.480 -0.002 0.000 0.282 919 M C -1.839 174.555 176.300 0.157 0.000 1.074 919 M CA -0.588 54.783 55.300 0.119 0.000 0.954 919 M CB 1.956 34.650 32.600 0.158 0.000 1.672 919 M HN 0.669 nan 8.290 nan 0.000 0.471 920 C N 5.008 124.413 119.300 0.176 0.000 2.397 920 C HA 0.518 4.977 4.460 -0.002 0.000 0.325 920 C C -1.090 173.970 174.990 0.117 0.000 1.201 920 C CA -0.509 58.617 59.018 0.180 0.000 1.377 920 C CB 0.879 28.794 27.740 0.292 0.000 2.038 920 C HN 0.883 nan 8.230 nan 0.000 0.457 921 Y N 6.188 126.442 120.300 -0.077 0.000 2.335 921 Y HA 0.663 5.212 4.550 -0.002 0.000 0.331 921 Y C -0.770 175.079 175.900 -0.085 0.000 1.094 921 Y CA -0.006 57.953 58.100 -0.237 0.000 1.253 921 Y CB 0.477 38.635 38.460 -0.504 0.000 1.203 921 Y HN 0.660 nan 8.280 nan 0.000 0.508 922 L N 6.992 127.886 121.223 -0.550 0.000 2.386 922 L HA 0.469 4.809 4.340 -0.002 0.000 0.271 922 L C -1.226 175.247 176.870 -0.662 0.000 0.993 922 L CA -0.828 53.817 54.840 -0.324 0.000 0.819 922 L CB 1.925 44.022 42.059 0.062 0.000 1.294 922 L HN 0.820 nan 8.230 nan 0.000 0.414 923 D N -0.227 119.784 120.400 -0.648 0.000 2.677 923 D HA 0.120 4.759 4.640 -0.002 0.000 0.298 923 D C -0.089 175.635 176.300 -0.960 0.000 1.250 923 D CA -0.576 52.927 54.000 -0.828 0.000 0.888 923 D CB 0.733 41.366 40.800 -0.278 0.000 1.397 923 D HN 0.464 nan 8.370 nan 0.000 0.461 924 D N -1.169 118.844 120.400 -0.645 0.000 2.378 924 D HA 0.151 4.790 4.640 -0.002 0.000 0.222 924 D C 1.614 177.877 176.300 -0.061 0.000 0.980 924 D CA 1.167 55.008 54.000 -0.266 0.000 0.907 924 D CB -0.375 40.424 40.800 -0.001 0.000 0.899 924 D HN 1.008 nan 8.370 nan 0.000 0.527 925 G N -1.161 107.623 108.800 -0.027 0.000 2.175 925 G HA2 -0.073 3.886 3.960 -0.002 0.000 0.244 925 G HA3 -0.073 3.886 3.960 -0.002 0.000 0.244 925 G C 1.090 176.017 174.900 0.046 0.000 0.982 925 G CA 0.242 45.346 45.100 0.007 0.000 0.641 925 G HN 1.404 nan 8.290 nan 0.000 0.527 926 G N -1.997 106.860 108.800 0.094 0.000 2.138 926 G HA2 -0.053 3.906 3.960 -0.002 0.000 0.193 926 G HA3 -0.053 3.906 3.960 -0.002 0.000 0.193 926 G C 1.199 176.256 174.900 0.261 0.000 0.998 926 G CA 0.941 46.102 45.100 0.101 0.000 0.668 926 G HN 1.411 nan 8.290 nan 0.000 0.516 927 V N 0.853 120.921 119.914 0.258 0.000 2.332 927 V HA 0.007 4.126 4.120 -0.002 0.000 0.248 927 V C 2.055 178.172 176.094 0.038 0.000 1.055 927 V CA 2.753 65.109 62.300 0.093 0.000 1.038 927 V CB -0.746 31.051 31.823 -0.043 0.000 0.651 927 V HN 1.094 nan 8.190 nan 0.000 0.450 928 T N -2.777 111.805 114.554 0.048 0.000 2.905 928 T HA 0.424 4.773 4.350 -0.002 0.000 0.283 928 T C 0.326 175.050 174.700 0.041 0.000 1.031 928 T CA 0.206 62.325 62.100 0.031 0.000 1.002 928 T CB 1.741 70.625 68.868 0.026 0.000 1.200 928 T HN 0.261 nan 8.240 nan 0.000 0.560 929 T N -1.767 112.804 114.554 0.029 0.000 3.275 929 T HA 0.318 4.667 4.350 -0.002 0.000 0.265 929 T C 0.327 175.051 174.700 0.040 0.000 0.978 929 T CA -0.644 61.473 62.100 0.028 0.000 0.923 929 T CB -1.179 67.696 68.868 0.011 0.000 1.126 929 T HN 0.638 nan 8.240 nan 0.000 0.538 930 N N 0.739 119.472 118.700 0.054 0.000 2.353 930 N HA 0.310 5.049 4.740 -0.002 0.000 0.185 930 N C 1.993 177.568 175.510 0.109 0.000 1.098 930 N CA 0.404 53.493 53.050 0.065 0.000 0.872 930 N CB 0.115 38.634 38.487 0.053 0.000 0.970 930 N HN 0.505 nan 8.380 nan 0.000 0.467 931 A N 1.775 124.680 122.820 0.142 0.000 1.897 931 A HA -0.131 4.188 4.320 -0.002 0.000 0.215 931 A C 2.067 179.807 177.584 0.259 0.000 1.181 931 A CA 1.121 53.325 52.037 0.279 0.000 0.620 931 A CB -0.202 18.944 19.000 0.244 0.000 0.821 931 A HN 0.368 nan 8.150 nan 0.000 0.443 932 E N -0.449 119.818 120.200 0.111 0.000 2.318 932 E HA -0.095 4.254 4.350 -0.002 0.000 0.193 932 E C 0.274 176.906 176.600 0.054 0.000 0.998 932 E CA 1.098 57.532 56.400 0.057 0.000 0.859 932 E CB -0.261 29.432 29.700 -0.012 0.000 0.812 932 E HN 0.470 nan 8.360 nan 0.000 0.492 933 D N 1.081 121.515 120.400 0.057 0.000 2.262 933 D HA 0.034 4.673 4.640 -0.002 0.000 0.212 933 D C 0.599 176.924 176.300 0.042 0.000 0.964 933 D CA 0.732 54.752 54.000 0.035 0.000 0.875 933 D CB 0.056 40.870 40.800 0.024 0.000 0.996 933 D HN 0.246 nan 8.370 nan 0.000 0.497 934 N N -1.213 117.524 118.700 0.062 0.000 2.143 934 N HA 0.286 5.025 4.740 -0.002 0.000 0.229 934 N C 0.602 176.133 175.510 0.036 0.000 1.294 934 N CA 0.300 53.375 53.050 0.040 0.000 0.883 934 N CB 1.965 40.467 38.487 0.026 0.000 1.148 934 N HN 0.042 nan 8.380 nan 0.000 0.511 935 G N 1.446 110.306 108.800 0.101 0.000 2.179 935 G HA2 -0.342 3.618 3.960 -0.002 0.000 0.257 935 G HA3 -0.342 3.618 3.960 -0.002 0.000 0.257 935 G C 0.080 174.873 174.900 -0.178 0.000 1.010 935 G CA 0.009 45.135 45.100 0.044 0.000 0.736 935 G HN 0.253 nan 8.290 nan 0.000 0.513 936 K N 0.322 120.735 120.400 0.022 0.000 2.111 936 K HA 0.498 4.817 4.320 -0.002 0.000 0.249 936 K C -0.045 176.605 176.600 0.084 0.000 1.157 936 K CA 0.001 56.281 56.287 -0.012 0.000 1.048 936 K CB -0.572 31.956 32.500 0.047 0.000 1.498 936 K HN 0.585 nan 8.250 nan 0.000 0.344 937 F N -2.507 117.394 119.950 -0.082 0.000 2.773 937 F HA 0.443 4.969 4.527 -0.002 0.000 0.314 937 F C -1.197 174.440 175.800 -0.270 0.000 1.160 937 F CA -1.133 56.730 58.000 -0.228 0.000 0.920 937 F CB 1.003 39.802 39.000 -0.336 0.000 1.323 937 F HN -0.158 nan 8.300 nan 0.000 0.457 938 S N 0.953 116.567 115.700 -0.143 0.000 2.500 938 S HA 0.755 5.224 4.470 -0.002 0.000 0.301 938 S C -1.257 173.295 174.600 -0.080 0.000 1.092 938 S CA -0.789 57.318 58.200 -0.155 0.000 1.030 938 S CB 1.963 64.989 63.200 -0.289 0.000 1.031 938 S HN 0.609 nan 8.310 nan 0.000 0.483 939 V N 3.104 123.038 119.914 0.034 0.000 2.334 939 V HA 0.440 4.559 4.120 -0.002 0.000 0.281 939 V C -0.380 175.774 176.094 0.101 0.000 1.016 939 V CA -0.682 61.645 62.300 0.045 0.000 0.832 939 V CB 1.272 33.158 31.823 0.104 0.000 0.999 939 V HN 0.673 nan 8.190 nan 0.000 0.439 940 V N 5.522 125.495 119.914 0.099 0.000 2.427 940 V HA 0.471 4.590 4.120 -0.002 0.000 0.286 940 V C 0.201 176.296 176.094 0.002 0.000 1.034 940 V CA -0.667 61.677 62.300 0.074 0.000 0.893 940 V CB 1.685 33.567 31.823 0.099 0.000 0.982 940 V HN 0.800 nan 8.190 nan 0.000 0.452 941 K N 2.580 122.937 120.400 -0.071 0.000 2.221 941 K HA 0.845 5.164 4.320 -0.002 0.000 0.243 941 K C -1.343 175.024 176.600 -0.388 0.000 0.968 941 K CA -0.694 55.506 56.287 -0.145 0.000 0.846 941 K CB 2.579 35.038 32.500 -0.068 0.000 1.141 941 K HN 0.417 nan 8.250 nan 0.000 0.434 942 V N 0.299 119.942 119.914 -0.451 0.000 3.114 942 V HA 0.836 4.956 4.120 -0.002 0.000 0.308 942 V C -1.842 174.019 176.094 -0.388 0.000 1.168 942 V CA -0.448 61.446 62.300 -0.677 0.000 1.015 942 V CB 2.089 33.199 31.823 -1.189 0.000 1.050 942 V HN 0.942 nan 8.190 nan 0.000 0.433 943 A N 3.557 126.179 122.820 -0.330 0.000 2.549 943 A HA 1.033 5.352 4.320 -0.002 0.000 0.297 943 A C -0.836 176.655 177.584 -0.155 0.000 1.061 943 A CA -0.112 51.799 52.037 -0.211 0.000 0.690 943 A CB 1.933 20.835 19.000 -0.163 0.000 1.287 943 A HN 2.151 nan 8.150 nan 0.000 0.402 944 A N 1.277 124.028 122.820 -0.116 0.000 2.393 944 A HA 0.817 5.136 4.320 -0.002 0.000 0.306 944 A C -0.769 176.778 177.584 -0.063 0.000 1.050 944 A CA -0.373 51.620 52.037 -0.073 0.000 0.724 944 A CB 1.185 20.150 19.000 -0.058 0.000 1.248 944 A HN 0.775 nan 8.150 nan 0.000 0.424 945 E N 0.482 120.654 120.200 -0.046 0.000 2.314 945 E HA 0.462 4.811 4.350 -0.002 0.000 0.272 945 E C -1.238 175.343 176.600 -0.031 0.000 0.884 945 E CA -0.675 55.701 56.400 -0.040 0.000 0.753 945 E CB 2.313 31.991 29.700 -0.038 0.000 1.213 945 E HN 0.629 nan 8.360 nan 0.000 0.432 946 Q N 1.616 121.399 119.800 -0.028 0.000 2.274 946 Q HA 0.391 4.730 4.340 -0.002 0.000 0.260 946 Q C -1.726 174.262 176.000 -0.020 0.000 0.974 946 Q CA -0.413 55.376 55.803 -0.023 0.000 0.876 946 Q CB 1.311 30.037 28.738 -0.021 0.000 1.297 946 Q HN 0.326 nan 8.270 nan 0.000 0.446 947 D N 2.871 123.260 120.400 -0.018 0.000 2.318 947 D HA 0.398 5.037 4.640 -0.002 0.000 0.233 947 D C 0.270 176.561 176.300 -0.015 0.000 1.348 947 D CA 0.808 54.798 54.000 -0.016 0.000 0.983 947 D CB 0.218 41.008 40.800 -0.017 0.000 1.416 947 D HN 0.702 nan 8.370 nan 0.000 0.558 948 G N 2.881 111.673 108.800 -0.013 0.000 2.611 948 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.301 948 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.301 948 G C 1.093 175.985 174.900 -0.014 0.000 1.233 948 G CA 0.452 45.545 45.100 -0.012 0.000 0.993 948 G HN 1.015 nan 8.290 nan 0.000 0.553 949 G N -0.296 108.495 108.800 -0.014 0.000 2.848 949 G HA2 0.401 4.360 3.960 -0.002 0.000 0.208 949 G HA3 0.401 4.360 3.960 -0.002 0.000 0.208 949 G C 0.582 175.470 174.900 -0.020 0.000 1.152 949 G CA 1.709 46.799 45.100 -0.016 0.000 0.789 949 G HN 1.008 nan 8.290 nan 0.000 0.531 950 T N 0.202 114.744 114.554 -0.019 0.000 2.807 950 T HA 0.482 4.831 4.350 -0.002 0.000 0.279 950 T C -0.932 173.755 174.700 -0.021 0.000 0.993 950 T CA -0.506 61.581 62.100 -0.020 0.000 0.970 950 T CB 2.695 71.553 68.868 -0.017 0.000 0.950 950 T HN 0.109 nan 8.240 nan 0.000 0.441 951 E N 1.692 121.879 120.200 -0.023 0.000 2.187 951 E HA 0.453 4.802 4.350 -0.002 0.000 0.268 951 E C -1.010 175.582 176.600 -0.013 0.000 0.896 951 E CA -0.612 55.775 56.400 -0.023 0.000 0.766 951 E CB 1.223 30.905 29.700 -0.031 0.000 1.142 951 E HN 0.502 nan 8.360 nan 0.000 0.408 952 T N 4.828 119.375 114.554 -0.012 0.000 2.786 952 T HA 0.443 4.792 4.350 -0.002 0.000 0.283 952 T C -0.001 174.699 174.700 -0.001 0.000 0.992 952 T CA -0.488 61.613 62.100 0.001 0.000 0.954 952 T CB 0.330 69.197 68.868 -0.001 0.000 0.934 952 T HN 0.328 nan 8.240 nan 0.000 0.440 953 I N 3.502 124.088 120.570 0.027 0.000 2.328 953 I HA 0.319 4.488 4.170 -0.002 0.000 0.287 953 I C 0.042 176.204 176.117 0.076 0.000 1.012 953 I CA -0.671 60.651 61.300 0.036 0.000 1.195 953 I CB 1.238 39.289 38.000 0.086 0.000 1.350 953 I HN 0.480 nan 8.210 nan 0.000 0.464 954 T N 6.159 120.702 114.554 -0.017 0.000 2.770 954 T HA 0.497 4.846 4.350 -0.002 0.000 0.283 954 T C -0.454 174.187 174.700 -0.100 0.000 0.988 954 T CA -0.311 61.792 62.100 0.006 0.000 0.957 954 T CB 0.738 69.590 68.868 -0.028 0.000 0.930 954 T HN 0.136 nan 8.240 nan 0.000 0.443 955 F N 2.976 122.865 119.950 -0.101 0.000 2.410 955 F HA 0.521 5.047 4.527 -0.002 0.000 0.349 955 F C 1.244 176.966 175.800 -0.129 0.000 1.117 955 F CA -0.488 57.416 58.000 -0.160 0.000 1.104 955 F CB 1.459 40.338 39.000 -0.203 0.000 1.122 955 F HN 0.546 nan 8.300 nan 0.000 0.483 956 T N 0.057 114.599 114.554 -0.019 0.000 2.901 956 T HA 0.602 4.951 4.350 -0.002 0.000 0.293 956 T C -1.105 173.593 174.700 -0.004 0.000 1.084 956 T CA -1.236 60.856 62.100 -0.013 0.000 1.008 956 T CB 1.967 70.816 68.868 -0.030 0.000 1.170 956 T HN 0.582 nan 8.240 nan 0.000 0.509 957 N N -0.718 117.991 118.700 0.015 0.000 2.296 957 N HA 0.452 5.191 4.740 -0.002 0.000 0.294 957 N C -0.473 175.077 175.510 0.067 0.000 1.033 957 N CA -0.833 52.252 53.050 0.058 0.000 0.839 957 N CB 1.776 40.322 38.487 0.099 0.000 1.395 957 N HN 0.363 nan 8.380 nan 0.000 0.479 958 D N 0.263 120.718 120.400 0.091 0.000 2.183 958 D HA 0.010 4.649 4.640 -0.002 0.000 0.203 958 D C 0.300 176.652 176.300 0.087 0.000 0.969 958 D CA 0.993 55.056 54.000 0.106 0.000 0.842 958 D CB -0.151 40.750 40.800 0.168 0.000 0.957 958 D HN 0.752 nan 8.370 nan 0.000 0.484 959 C N -2.392 116.954 119.300 0.077 0.000 3.284 959 C HA 0.600 5.059 4.460 -0.002 0.000 0.338 959 C C -1.283 173.747 174.990 0.067 0.000 1.237 959 C CA -1.370 57.663 59.018 0.025 0.000 1.276 959 C CB 0.167 27.853 27.740 -0.090 0.000 1.601 959 C HN 0.187 nan 8.230 nan 0.000 0.494 960 Y N 0.854 121.102 120.300 -0.086 0.000 2.705 960 Y HA 0.531 5.080 4.550 -0.002 0.000 0.355 960 Y C 0.783 176.631 175.900 -0.087 0.000 1.039 960 Y CA 0.017 58.074 58.100 -0.071 0.000 1.233 960 Y CB 0.791 39.224 38.460 -0.045 0.000 1.103 960 Y HN 0.944 nan 8.280 nan 0.000 0.624 961 E N 2.132 122.150 120.200 -0.302 0.000 2.465 961 E HA 0.084 4.433 4.350 -0.002 0.000 0.209 961 E C -1.106 175.358 176.600 -0.226 0.000 0.951 961 E CA 0.078 56.334 56.400 -0.240 0.000 0.997 961 E CB 0.477 30.009 29.700 -0.280 0.000 1.025 961 E HN 0.490 nan 8.360 nan 0.000 0.500 962 Y N 0.294 120.327 120.300 -0.445 0.000 2.330 962 Y HA 0.459 5.009 4.550 -0.002 0.000 0.336 962 Y C -0.966 174.599 175.900 -0.559 0.000 1.036 962 Y CA -1.204 56.679 58.100 -0.360 0.000 1.125 962 Y CB 1.110 39.424 38.460 -0.243 0.000 1.194 962 Y HN -0.320 nan 8.280 nan 0.000 0.469 963 V N 8.561 127.798 119.914 -1.127 0.000 2.320 963 V HA 0.086 4.205 4.120 -0.002 0.000 0.265 963 V C -0.324 175.375 176.094 -0.658 0.000 1.048 963 V CA -0.660 61.247 62.300 -0.655 0.000 0.865 963 V CB -0.310 31.326 31.823 -0.312 0.000 1.043 963 V HN 0.712 nan 8.190 nan 0.000 0.474 964 F N 4.320 124.103 119.950 -0.279 0.000 2.504 964 F HA 0.351 4.877 4.527 -0.002 0.000 0.365 964 F C 1.453 177.269 175.800 0.027 0.000 1.140 964 F CA -0.006 57.986 58.000 -0.012 0.000 1.077 964 F CB 0.640 39.763 39.000 0.206 0.000 1.106 964 F HN 0.531 nan 8.300 nan 0.000 0.578 965 G N 4.056 112.597 108.800 -0.431 0.000 2.848 965 G HA2 0.300 4.259 3.960 -0.002 0.000 0.208 965 G HA3 0.300 4.259 3.960 -0.002 0.000 0.208 965 G C 0.527 175.297 174.900 -0.218 0.000 1.152 965 G CA 0.381 45.327 45.100 -0.257 0.000 0.789 965 G HN 0.926 nan 8.290 nan 0.000 0.531 966 G N -0.313 108.285 108.800 -0.336 0.000 2.605 966 G HA2 0.660 4.619 3.960 -0.002 0.000 0.296 966 G HA3 0.660 4.619 3.960 -0.002 0.000 0.296 966 G C -3.042 172.013 174.900 0.259 0.000 1.304 966 G CA -1.415 43.642 45.100 -0.072 0.000 0.941 966 G HN -0.060 nan 8.290 nan 0.000 0.475 967 P HA 0.302 nan 4.420 nan 0.000 0.271 967 P C -0.971 176.542 177.300 0.355 0.000 1.216 967 P CA -0.098 63.125 63.100 0.206 0.000 0.776 967 P CB 0.849 32.559 31.700 0.017 0.000 0.881 968 F N 1.378 121.379 119.950 0.084 0.000 2.594 968 F HA 0.742 5.268 4.527 -0.002 0.000 0.335 968 F C -1.149 174.644 175.800 -0.013 0.000 1.058 968 F CA -1.599 56.525 58.000 0.205 0.000 0.981 968 F CB 0.899 40.058 39.000 0.265 0.000 1.289 968 F HN 0.203 nan 8.300 nan 0.000 0.490 969 Y N 0.053 120.575 120.300 0.370 0.000 2.536 969 Y HA 0.687 5.237 4.550 -0.002 0.000 0.347 969 Y C -0.865 175.301 175.900 0.444 0.000 1.000 969 Y CA -1.443 56.842 58.100 0.309 0.000 1.051 969 Y CB 2.343 41.114 38.460 0.517 0.000 1.259 969 Y HN 0.514 nan 8.280 nan 0.000 0.468 970 V N 2.819 122.992 119.914 0.432 0.000 2.448 970 V HA 0.463 4.582 4.120 -0.002 0.000 0.295 970 V C -0.521 175.656 176.094 0.137 0.000 1.025 970 V CA -0.957 61.560 62.300 0.361 0.000 0.859 970 V CB 1.541 33.538 31.823 0.291 0.000 0.988 970 V HN 0.656 nan 8.190 nan 0.000 0.431 971 R N 3.778 124.245 120.500 -0.055 0.000 2.239 971 R HA 0.604 4.943 4.340 -0.002 0.000 0.332 971 R C -1.320 174.792 176.300 -0.314 0.000 0.988 971 R CA -0.369 55.456 56.100 -0.459 0.000 0.859 971 R CB 1.417 31.244 30.300 -0.788 0.000 1.148 971 R HN 0.578 nan 8.270 nan 0.000 0.482 972 V N 5.864 125.618 119.914 -0.267 0.000 2.364 972 V HA 0.346 4.465 4.120 -0.002 0.000 0.272 972 V C 0.510 176.455 176.094 -0.247 0.000 1.036 972 V CA -0.674 61.505 62.300 -0.202 0.000 0.880 972 V CB 1.141 32.891 31.823 -0.122 0.000 0.991 972 V HN 0.622 nan 8.190 nan 0.000 0.460 973 R N 3.276 123.613 120.500 -0.272 0.000 2.340 973 R HA 0.456 4.795 4.340 -0.002 0.000 0.300 973 R C 1.280 177.479 176.300 -0.169 0.000 1.069 973 R CA 0.633 56.582 56.100 -0.252 0.000 0.984 973 R CB 1.027 31.117 30.300 -0.350 0.000 1.003 973 R HN 1.109 nan 8.270 nan 0.000 0.459 974 G N 0.985 109.711 108.800 -0.122 0.000 2.176 974 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.253 974 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.253 974 G C 0.113 174.972 174.900 -0.069 0.000 0.979 974 G CA 0.198 45.250 45.100 -0.080 0.000 0.641 974 G HN 0.839 nan 8.290 nan 0.000 0.530 975 A N -0.674 122.093 122.820 -0.088 0.000 2.295 975 A HA 0.881 5.200 4.320 -0.002 0.000 0.318 975 A C 0.546 178.084 177.584 -0.077 0.000 1.134 975 A CA 0.128 52.118 52.037 -0.079 0.000 0.827 975 A CB 1.211 20.157 19.000 -0.090 0.000 1.136 975 A HN 0.209 nan 8.150 nan 0.000 0.493 976 Q N -0.013 119.749 119.800 -0.063 0.000 3.065 976 Q HA 0.325 4.664 4.340 -0.002 0.000 0.208 976 Q C 0.011 175.984 176.000 -0.045 0.000 1.163 976 Q CA -0.198 55.573 55.803 -0.052 0.000 0.338 976 Q CB 0.040 28.758 28.738 -0.032 0.000 5.725 976 Q HN 0.662 nan 8.270 nan 0.000 0.301 977 S N 3.050 118.740 115.700 -0.016 0.000 2.439 977 S HA 0.360 4.829 4.470 -0.002 0.000 0.282 977 S C -2.098 172.474 174.600 -0.047 0.000 1.170 977 S CA -1.110 57.096 58.200 0.008 0.000 1.054 977 S CB 0.337 63.578 63.200 0.068 0.000 0.956 977 S HN 0.139 nan 8.310 nan 0.000 0.490 978 P HA 0.338 nan 4.420 nan 0.000 0.274 978 P C 0.084 177.335 177.300 -0.082 0.000 1.256 978 P CA -0.515 62.484 63.100 -0.167 0.000 0.795 978 P CB 0.816 32.309 31.700 -0.344 0.000 1.038 979 S N -0.979 114.689 115.700 -0.053 0.000 2.486 979 S HA 0.062 4.531 4.470 -0.002 0.000 0.220 979 S C 0.750 175.356 174.600 0.010 0.000 1.011 979 S CA 0.140 58.338 58.200 -0.003 0.000 0.921 979 S CB -0.251 62.948 63.200 -0.001 0.000 0.785 979 S HN 0.662 nan 8.310 nan 0.000 0.517 980 N N 0.081 118.763 118.700 -0.030 0.000 2.846 980 N HA 0.263 5.002 4.740 -0.002 0.000 0.248 980 N C -2.295 173.185 175.510 -0.049 0.000 1.097 980 N CA -0.256 52.794 53.050 0.000 0.000 1.013 980 N CB 1.066 39.574 38.487 0.034 0.000 1.686 980 N HN 0.002 nan 8.380 nan 0.000 0.520 981 I N 2.336 122.885 120.570 -0.036 0.000 2.436 981 I HA 0.258 4.427 4.170 -0.002 0.000 0.289 981 I C -0.643 175.521 176.117 0.077 0.000 1.010 981 I CA -0.644 60.640 61.300 -0.026 0.000 1.098 981 I CB 1.668 39.599 38.000 -0.116 0.000 1.266 981 I HN 0.514 nan 8.210 nan 0.000 0.434 982 H N 5.405 124.471 119.070 -0.007 0.000 2.466 982 H HA 0.676 5.232 4.556 -0.002 0.000 0.338 982 H C -1.411 173.921 175.328 0.008 0.000 1.091 982 H CA -0.474 55.578 56.048 0.007 0.000 1.207 982 H CB 1.539 31.303 29.762 0.004 0.000 1.466 982 H HN 0.265 nan 8.280 nan 0.000 0.493 983 V N 4.080 123.744 119.914 -0.416 0.000 2.459 983 V HA 0.381 4.500 4.120 -0.002 0.000 0.295 983 V C -0.134 175.762 176.094 -0.331 0.000 1.029 983 V CA -0.716 61.434 62.300 -0.250 0.000 0.874 983 V CB 1.488 33.214 31.823 -0.161 0.000 0.985 983 V HN 0.823 nan 8.190 nan 0.000 0.438 984 S N 3.208 118.846 115.700 -0.104 0.000 2.482 984 S HA 0.834 5.304 4.470 -0.002 0.000 0.303 984 S C -0.665 173.923 174.600 -0.021 0.000 1.091 984 S CA -0.267 57.914 58.200 -0.032 0.000 1.057 984 S CB 1.555 64.801 63.200 0.076 0.000 1.031 984 S HN 0.896 nan 8.310 nan 0.000 0.485 985 S N 2.226 117.911 115.700 -0.025 0.000 2.552 985 S HA 0.557 5.026 4.470 -0.002 0.000 0.272 985 S C 1.096 175.681 174.600 -0.025 0.000 1.150 985 S CA -0.087 58.096 58.200 -0.027 0.000 0.849 985 S CB 0.757 63.931 63.200 -0.043 0.000 1.113 985 S HN 1.020 nan 8.310 nan 0.000 0.458 986 G N 1.957 110.739 108.800 -0.030 0.000 2.599 986 G HA2 -0.051 3.908 3.960 -0.002 0.000 0.219 986 G HA3 -0.051 3.908 3.960 -0.002 0.000 0.219 986 G C 0.737 175.624 174.900 -0.022 0.000 1.193 986 G CA 1.112 46.197 45.100 -0.025 0.000 0.778 986 G HN 1.312 nan 8.290 nan 0.000 0.589 987 A N -0.192 122.611 122.820 -0.028 0.000 3.257 987 A HA 0.687 5.006 4.320 -0.002 0.000 0.308 987 A C 0.379 177.948 177.584 -0.026 0.000 1.175 987 A CA 0.423 52.446 52.037 -0.023 0.000 1.018 987 A CB -0.180 18.806 19.000 -0.022 0.000 1.088 987 A HN 1.416 nan 8.150 nan 0.000 0.567 988 G N -0.842 107.942 108.800 -0.027 0.000 2.503 988 G HA2 0.466 4.425 3.960 -0.002 0.000 0.305 988 G HA3 0.466 4.425 3.960 -0.002 0.000 0.305 988 G C -1.015 173.858 174.900 -0.044 0.000 1.575 988 G CA 0.291 45.369 45.100 -0.037 0.000 0.890 988 G HN 0.904 nan 8.290 nan 0.000 0.612 989 S N 0.950 116.620 115.700 -0.049 0.000 2.385 989 S HA 0.527 4.997 4.470 -0.002 0.000 0.191 989 S C -0.694 173.844 174.600 -0.103 0.000 1.196 989 S CA -0.432 57.723 58.200 -0.076 0.000 1.178 989 S CB 0.635 63.843 63.200 0.013 0.000 1.258 989 S HN 0.834 nan 8.310 nan 0.000 0.430 990 Q N 2.228 121.907 119.800 -0.203 0.000 2.413 990 Q HA 0.445 4.784 4.340 -0.002 0.000 0.276 990 Q C -1.510 174.361 176.000 -0.215 0.000 1.099 990 Q CA -0.766 54.956 55.803 -0.136 0.000 0.814 990 Q CB 1.425 30.113 28.738 -0.083 0.000 1.379 990 Q HN 0.505 nan 8.270 nan 0.000 0.436 991 D N 2.752 123.125 120.400 -0.044 0.000 2.256 991 D HA 0.264 4.903 4.640 -0.002 0.000 0.250 991 D C -0.038 176.293 176.300 0.052 0.000 1.093 991 D CA 0.166 54.189 54.000 0.039 0.000 0.882 991 D CB 0.922 41.805 40.800 0.137 0.000 1.185 991 D HN 0.475 nan 8.370 nan 0.000 0.437 992 M N 1.605 121.264 119.600 0.100 0.000 2.242 992 M HA 0.176 4.655 4.480 -0.002 0.000 0.344 992 M C 0.505 176.962 176.300 0.262 0.000 1.140 992 M CA -0.092 55.318 55.300 0.182 0.000 1.160 992 M CB 0.712 33.481 32.600 0.282 0.000 1.491 992 M HN 0.159 nan 8.290 nan 0.000 0.459 993 K N 0.765 121.249 120.400 0.140 0.000 2.259 993 K HA 0.601 4.920 4.320 -0.002 0.000 0.249 993 K C -0.704 175.641 176.600 -0.426 0.000 0.942 993 K CA -1.032 55.252 56.287 -0.005 0.000 0.816 993 K CB 2.034 34.515 32.500 -0.031 0.000 1.155 993 K HN 0.458 nan 8.250 nan 0.000 0.428 994 V N 1.817 121.259 119.914 -0.786 0.000 2.694 994 V HA -0.016 4.103 4.120 -0.002 0.000 0.306 994 V C -0.062 175.721 176.094 -0.519 0.000 1.054 994 V CA 0.383 61.961 62.300 -1.203 0.000 1.161 994 V CB 1.042 32.468 31.823 -0.661 0.000 0.916 994 V HN 0.922 nan 8.190 nan 0.000 0.490 995 S N 4.063 119.530 115.700 -0.388 0.000 2.565 995 S HA 0.229 4.698 4.470 -0.002 0.000 0.274 995 S C 1.202 175.721 174.600 -0.135 0.000 1.309 995 S CA -0.042 58.053 58.200 -0.174 0.000 1.043 995 S CB 1.193 64.344 63.200 -0.081 0.000 0.939 995 S HN 1.321 nan 8.310 nan 0.000 0.504 996 S N 3.307 118.935 115.700 -0.119 0.000 2.660 996 S HA 0.315 4.784 4.470 -0.002 0.000 0.223 996 S C 0.586 175.101 174.600 -0.142 0.000 0.963 996 S CA -0.116 58.020 58.200 -0.106 0.000 0.932 996 S CB -0.406 62.743 63.200 -0.086 0.000 0.775 996 S HN 0.880 nan 8.310 nan 0.000 0.531 997 A N 1.750 124.454 122.820 -0.193 0.000 2.327 997 A HA 0.589 4.908 4.320 -0.002 0.000 0.283 997 A C 0.925 178.218 177.584 -0.484 0.000 1.127 997 A CA -0.239 51.606 52.037 -0.321 0.000 0.810 997 A CB 0.532 19.319 19.000 -0.356 0.000 1.066 997 A HN 0.495 nan 8.150 nan 0.000 0.492 998 T N -1.727 112.491 114.554 -0.561 0.000 3.288 998 T HA 0.460 4.809 4.350 -0.002 0.000 0.293 998 T C 0.018 174.265 174.700 -0.756 0.000 1.008 998 T CA 0.340 62.112 62.100 -0.547 0.000 0.929 998 T CB -0.934 67.816 68.868 -0.195 0.000 1.152 998 T HN 1.405 nan 8.240 nan 0.000 0.517 999 S N -0.218 114.781 115.700 -1.169 0.000 2.537 999 S HA 0.529 4.998 4.470 -0.002 0.000 0.270 999 S C 0.562 174.300 174.600 -1.436 0.000 1.142 999 S CA -1.084 56.442 58.200 -1.124 0.000 0.870 999 S CB 2.361 65.234 63.200 -0.546 0.000 1.112 999 S HN 0.098 nan 8.310 nan 0.000 0.466 1000 R N 0.869 120.584 120.500 -1.308 0.000 2.117 1000 R HA -0.137 4.202 4.340 -0.002 0.000 0.243 1000 R C 2.081 177.610 176.300 -1.285 0.000 1.143 1000 R CA 1.894 57.179 56.100 -1.358 0.000 0.968 1000 R CB -0.910 28.701 30.300 -1.148 0.000 0.863 1000 R HN 0.859 nan 8.270 nan 0.000 0.444 1001 A N 0.311 122.652 122.820 -0.798 0.000 1.930 1001 A HA -0.029 4.290 4.320 -0.002 0.000 0.217 1001 A C 2.260 179.634 177.584 -0.351 0.000 1.175 1001 A CA 1.452 53.203 52.037 -0.477 0.000 0.627 1001 A CB -0.455 18.370 19.000 -0.291 0.000 0.815 1001 A HN 0.507 nan 8.150 nan 0.000 0.443 1002 A N -0.680 121.882 122.820 -0.430 0.000 1.929 1002 A HA 0.081 4.400 4.320 -0.002 0.000 0.216 1002 A C 2.064 179.474 177.584 -0.290 0.000 1.176 1002 A CA 1.490 53.332 52.037 -0.326 0.000 0.628 1002 A CB -0.532 18.252 19.000 -0.360 0.000 0.816 1002 A HN 0.519 nan 8.150 nan 0.000 0.444 1003 L N -1.166 119.789 121.223 -0.446 0.000 2.046 1003 L HA -0.090 4.249 4.340 -0.002 0.000 0.208 1003 L C 2.158 179.092 176.870 0.106 0.000 1.077 1003 L CA 1.805 56.508 54.840 -0.228 0.000 0.747 1003 L CB -0.749 41.105 42.059 -0.341 0.000 0.896 1003 L HN 0.353 nan 8.230 nan 0.000 0.432 1004 F N 0.101 119.971 119.950 -0.134 0.000 2.075 1004 F HA -0.195 4.331 4.527 -0.002 0.000 0.297 1004 F C 2.568 178.382 175.800 0.024 0.000 1.113 1004 F CA 1.448 59.436 58.000 -0.021 0.000 1.218 1004 F CB -1.271 37.648 39.000 -0.135 0.000 0.984 1004 F HN 0.291 nan 8.300 nan 0.000 0.472 1005 N N -0.551 118.241 118.700 0.154 0.000 2.336 1005 N HA -0.082 4.657 4.740 -0.002 0.000 0.177 1005 N C 0.701 176.231 175.510 0.032 0.000 1.018 1005 N CA 1.167 54.262 53.050 0.074 0.000 0.878 1005 N CB 0.075 38.579 38.487 0.028 0.000 0.997 1005 N HN 0.230 nan 8.380 nan 0.000 0.433 1006 D N -0.045 120.353 120.400 -0.004 0.000 2.449 1006 D HA 0.094 4.733 4.640 -0.002 0.000 0.210 1006 D C 0.884 177.170 176.300 -0.024 0.000 1.094 1006 D CA 0.054 54.037 54.000 -0.027 0.000 0.846 1006 D CB 0.317 41.078 40.800 -0.065 0.000 1.003 1006 D HN 0.037 nan 8.370 nan 0.000 0.504 1007 G N 0.949 109.748 108.800 -0.001 0.000 2.441 1007 G HA2 0.143 4.102 3.960 -0.002 0.000 0.243 1007 G HA3 0.143 4.102 3.960 -0.002 0.000 0.243 1007 G C -0.008 174.904 174.900 0.020 0.000 1.281 1007 G CA -0.260 44.845 45.100 0.009 0.000 0.854 1007 G HN -0.048 nan 8.290 nan 0.000 0.560 1008 E N 1.239 121.436 120.200 -0.006 0.000 2.313 1008 E HA 0.032 4.381 4.350 -0.002 0.000 0.276 1008 E C -0.176 176.408 176.600 -0.027 0.000 1.031 1008 E CA -0.623 55.767 56.400 -0.016 0.000 0.857 1008 E CB 0.695 30.378 29.700 -0.028 0.000 1.040 1008 E HN 0.366 nan 8.360 nan 0.000 0.408 1009 N N 1.977 120.653 118.700 -0.039 0.000 2.276 1009 N HA -0.060 4.679 4.740 -0.002 0.000 0.279 1009 N C 0.603 176.075 175.510 -0.063 0.000 1.379 1009 N CA 1.237 54.244 53.050 -0.072 0.000 0.886 1009 N CB 0.263 38.717 38.487 -0.055 0.000 1.199 1009 N HN 0.849 nan 8.380 nan 0.000 0.493 1010 G N 1.225 109.981 108.800 -0.072 0.000 2.159 1010 G HA2 -0.194 3.765 3.960 -0.002 0.000 0.170 1010 G HA3 -0.194 3.765 3.960 -0.002 0.000 0.170 1010 G C -0.575 174.331 174.900 0.010 0.000 1.007 1010 G CA -0.531 44.548 45.100 -0.036 0.000 0.672 1010 G HN 0.516 nan 8.290 nan 0.000 0.507 1011 D N 0.151 120.558 120.400 0.012 0.000 2.193 1011 D HA 0.705 5.344 4.640 -0.002 0.000 0.249 1011 D C 0.342 176.734 176.300 0.153 0.000 1.034 1011 D CA -0.114 53.893 54.000 0.012 0.000 0.902 1011 D CB 1.107 41.905 40.800 -0.003 0.000 1.182 1011 D HN 0.377 nan 8.370 nan 0.000 0.436 1012 F N -0.733 119.292 119.950 0.126 0.000 2.593 1012 F HA 0.781 5.307 4.527 -0.002 0.000 0.320 1012 F C -1.382 174.593 175.800 0.292 0.000 1.060 1012 F CA -1.375 56.745 58.000 0.200 0.000 0.940 1012 F CB 1.445 40.530 39.000 0.141 0.000 1.268 1012 F HN 0.296 nan 8.300 nan 0.000 0.475 1013 W N 3.725 125.264 121.300 0.398 0.000 2.968 1013 W HA 0.633 5.292 4.660 -0.002 0.000 0.337 1013 W C -2.191 174.523 176.519 0.327 0.000 1.060 1013 W CA -1.717 55.765 57.345 0.228 0.000 1.240 1013 W CB 1.575 31.062 29.460 0.044 0.000 1.370 1013 W HN 0.533 nan 8.180 nan 0.000 0.459 1014 V N 6.447 126.340 119.914 -0.035 0.000 2.364 1014 V HA -0.012 4.107 4.120 -0.002 0.000 0.252 1014 V C 0.123 175.784 176.094 -0.723 0.000 1.075 1014 V CA 0.245 62.409 62.300 -0.227 0.000 1.033 1014 V CB 0.172 32.010 31.823 0.025 0.000 1.116 1014 V HN 0.437 nan 8.190 nan 0.000 0.488 1015 D N 4.172 124.005 120.400 -0.945 0.000 2.402 1015 D HA 0.137 4.776 4.640 -0.002 0.000 0.235 1015 D C 1.062 177.174 176.300 -0.313 0.000 1.226 1015 D CA 0.140 53.568 54.000 -0.954 0.000 0.918 1015 D CB 1.186 41.448 40.800 -0.898 0.000 1.043 1015 D HN 0.555 nan 8.370 nan 0.000 0.506 1016 Q N 1.972 121.675 119.800 -0.161 0.000 2.172 1016 Q HA -0.093 4.246 4.340 -0.002 0.000 0.200 1016 Q C 1.565 177.554 176.000 -0.019 0.000 0.964 1016 Q CA 0.709 56.479 55.803 -0.054 0.000 0.855 1016 Q CB 0.248 28.983 28.738 -0.006 0.000 0.918 1016 Q HN 0.599 nan 8.270 nan 0.000 0.444 1017 E N -0.067 120.135 120.200 0.004 0.000 2.085 1017 E HA -0.185 4.164 4.350 -0.002 0.000 0.194 1017 E C 1.326 177.944 176.600 0.029 0.000 0.994 1017 E CA 1.692 58.110 56.400 0.029 0.000 0.801 1017 E CB 0.170 29.907 29.700 0.062 0.000 0.743 1017 E HN 0.394 nan 8.360 nan 0.000 0.453 1018 T N -2.392 112.182 114.554 0.032 0.000 3.085 1018 T HA 0.075 4.424 4.350 -0.002 0.000 0.264 1018 T C 0.077 174.792 174.700 0.026 0.000 1.019 1018 T CA 0.437 62.573 62.100 0.060 0.000 0.910 1018 T CB 0.123 69.068 68.868 0.127 0.000 1.059 1018 T HN 0.137 nan 8.240 nan 0.000 0.542 1019 D N 0.898 121.290 120.400 -0.014 0.000 2.737 1019 D HA -0.153 4.486 4.640 -0.002 0.000 0.238 1019 D C -0.855 175.400 176.300 -0.075 0.000 1.157 1019 D CA 0.635 54.613 54.000 -0.037 0.000 0.694 1019 D CB -1.365 39.431 40.800 -0.006 0.000 1.021 1019 D HN 0.568 nan 8.370 nan 0.000 0.420 1020 S N -0.136 115.499 115.700 -0.108 0.000 2.569 1020 S HA 0.694 5.163 4.470 -0.002 0.000 0.280 1020 S C -0.927 173.574 174.600 -0.166 0.000 1.111 1020 S CA -0.971 57.120 58.200 -0.180 0.000 0.887 1020 S CB 2.065 65.103 63.200 -0.271 0.000 1.095 1020 S HN 0.360 nan 8.310 nan 0.000 0.476 1021 L N 1.968 123.087 121.223 -0.174 0.000 2.296 1021 L HA 0.739 5.078 4.340 -0.002 0.000 0.286 1021 L C -2.050 174.809 176.870 -0.018 0.000 1.023 1021 L CA -0.202 54.609 54.840 -0.049 0.000 0.812 1021 L CB 0.464 42.486 42.059 -0.063 0.000 1.223 1021 L HN 0.733 nan 8.230 nan 0.000 0.421 1022 W N 6.073 127.417 121.300 0.074 0.000 2.475 1022 W HA 0.602 5.261 4.660 -0.002 0.000 0.317 1022 W C -1.185 175.521 176.519 0.311 0.000 1.046 1022 W CA -0.487 57.002 57.345 0.241 0.000 1.215 1022 W CB 1.371 31.049 29.460 0.364 0.000 1.335 1022 W HN 0.220 nan 8.180 nan 0.000 0.471 1023 L N 3.686 125.182 121.223 0.455 0.000 2.287 1023 L HA 0.377 4.716 4.340 -0.002 0.000 0.287 1023 L C 0.132 177.096 176.870 0.157 0.000 1.022 1023 L CA -0.976 54.033 54.840 0.281 0.000 0.814 1023 L CB 1.246 43.374 42.059 0.115 0.000 1.217 1023 L HN 0.278 nan 8.230 nan 0.000 0.420 1024 K N 4.326 124.747 120.400 0.034 0.000 2.234 1024 K HA 0.729 5.048 4.320 -0.002 0.000 0.277 1024 K C -1.342 175.025 176.600 -0.388 0.000 1.038 1024 K CA -0.351 55.704 56.287 -0.388 0.000 0.888 1024 K CB 0.609 32.996 32.500 -0.188 0.000 1.091 1024 K HN 0.533 nan 8.250 nan 0.000 0.467 1025 L N 5.481 126.309 121.223 -0.658 0.000 2.354 1025 L HA 0.561 4.900 4.340 -0.002 0.000 0.264 1025 L C -2.343 174.278 176.870 -0.414 0.000 1.008 1025 L CA -2.777 51.706 54.840 -0.595 0.000 0.819 1025 L CB 2.075 43.556 42.059 -0.963 0.000 1.339 1025 L HN 0.568 nan 8.230 nan 0.000 0.420 1026 P HA 0.083 nan 4.420 nan 0.000 0.274 1026 P C 0.082 177.491 177.300 0.183 0.000 1.237 1026 P CA -0.470 62.628 63.100 -0.004 0.000 0.793 1026 P CB 0.425 32.120 31.700 -0.009 0.000 0.977 1027 N N 1.255 120.080 118.700 0.209 0.000 2.364 1027 N HA -0.119 4.620 4.740 -0.002 0.000 0.183 1027 N C 1.015 176.624 175.510 0.164 0.000 1.022 1027 N CA 1.803 55.028 53.050 0.292 0.000 0.883 1027 N CB -1.039 37.577 38.487 0.215 0.000 0.965 1027 N HN 0.282 nan 8.380 nan 0.000 0.438 1028 V N -0.950 119.012 119.914 0.079 0.000 3.406 1028 V HA 0.079 4.198 4.120 -0.002 0.000 0.263 1028 V C 2.266 178.322 176.094 -0.065 0.000 1.172 1028 V CA 0.797 63.089 62.300 -0.013 0.000 1.140 1028 V CB -0.638 31.178 31.823 -0.012 0.000 0.784 1028 V HN 0.226 nan 8.190 nan 0.000 0.467 1029 V N -2.187 117.732 119.914 0.008 0.000 3.541 1029 V HA 0.157 4.276 4.120 -0.002 0.000 0.267 1029 V C 2.127 178.136 176.094 -0.142 0.000 1.213 1029 V CA 1.180 63.465 62.300 -0.025 0.000 1.149 1029 V CB 0.042 31.873 31.823 0.013 0.000 0.822 1029 V HN 0.448 nan 8.190 nan 0.000 0.462 1030 L N 1.716 122.762 121.223 -0.296 0.000 2.046 1030 L HA 0.140 4.479 4.340 -0.002 0.000 0.208 1030 L C -0.276 176.308 176.870 -0.476 0.000 1.077 1030 L CA 2.362 56.742 54.840 -0.766 0.000 0.747 1030 L CB -1.464 40.110 42.059 -0.808 0.000 0.896 1030 L HN 0.317 nan 8.230 nan 0.000 0.432 1031 P HA 0.031 nan 4.420 nan 0.000 0.233 1031 P C -1.174 176.013 177.300 -0.189 0.000 1.167 1031 P CA 0.832 63.645 63.100 -0.479 0.000 0.770 1031 P CB -0.129 31.044 31.700 -0.879 0.000 0.837 1032 D N -1.187 119.129 120.400 -0.140 0.000 2.688 1032 D HA 0.486 5.125 4.640 -0.002 0.000 0.210 1032 D C -1.405 174.887 176.300 -0.013 0.000 1.333 1032 D CA -0.702 53.273 54.000 -0.043 0.000 0.920 1032 D CB 1.114 41.880 40.800 -0.058 0.000 1.554 1032 D HN -0.042 nan 8.370 nan 0.000 0.579 1033 A N 1.197 124.057 122.820 0.066 0.000 2.589 1033 A HA 0.635 4.954 4.320 -0.002 0.000 0.296 1033 A C -1.615 176.032 177.584 0.105 0.000 1.062 1033 A CA -0.768 51.309 52.037 0.067 0.000 0.686 1033 A CB 2.042 21.065 19.000 0.038 0.000 1.282 1033 A HN 0.432 nan 8.150 nan 0.000 0.404 1034 V N 2.457 122.415 119.914 0.073 0.000 2.325 1034 V HA 0.399 4.518 4.120 -0.002 0.000 0.280 1034 V C -0.591 175.552 176.094 0.082 0.000 1.016 1034 V CA -0.026 62.322 62.300 0.080 0.000 0.818 1034 V CB 0.750 32.613 31.823 0.067 0.000 1.019 1034 V HN 0.650 nan 8.190 nan 0.000 0.434 1035 I N 4.595 125.220 120.570 0.091 0.000 2.312 1035 I HA 0.455 4.624 4.170 -0.002 0.000 0.290 1035 I C 0.481 176.636 176.117 0.063 0.000 1.008 1035 I CA -0.071 61.273 61.300 0.073 0.000 1.226 1035 I CB 1.805 39.857 38.000 0.087 0.000 1.371 1035 I HN 0.683 nan 8.210 nan 0.000 0.468 1036 T N 5.232 119.829 114.554 0.073 0.000 2.786 1036 T HA 0.661 5.010 4.350 -0.002 0.000 0.283 1036 T C -0.560 174.154 174.700 0.023 0.000 0.992 1036 T CA -0.563 61.566 62.100 0.048 0.000 0.954 1036 T CB 0.757 69.655 68.868 0.050 0.000 0.934 1036 T HN 0.315 nan 8.240 nan 0.000 0.440 1037 I N 3.812 124.376 120.570 -0.010 0.000 2.312 1037 I HA 0.379 4.548 4.170 -0.002 0.000 0.290 1037 I C 0.777 176.868 176.117 -0.043 0.000 1.008 1037 I CA -0.339 60.933 61.300 -0.047 0.000 1.226 1037 I CB 1.695 39.653 38.000 -0.069 0.000 1.371 1037 I HN 0.683 nan 8.210 nan 0.000 0.468 1038 T N 0.000 114.526 114.554 -0.046 0.000 3.816 1038 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 1038 T CA 0.000 62.079 62.100 -0.035 0.000 1.349 1038 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658