REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2x2i_1_C 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 0.000 174.653 174.700 -0.079 0.000 1.109 14 T CA 0.000 62.061 62.100 -0.065 0.000 1.349 14 T CB 0.000 68.829 68.868 -0.065 0.000 0.612 15 D N 3.629 124.000 120.400 -0.048 0.000 2.658 15 D HA 0.186 4.825 4.640 -0.000 0.000 0.230 15 D C 0.822 177.111 176.300 -0.019 0.000 1.118 15 D CA 1.327 55.310 54.000 -0.030 0.000 0.848 15 D CB -0.055 40.740 40.800 -0.009 0.000 1.160 15 D HN 0.420 nan 8.370 nan 0.000 0.497 16 N N 2.602 121.305 118.700 0.004 0.000 2.642 16 N HA -0.156 4.584 4.740 -0.000 0.000 0.269 16 N C -1.717 173.784 175.510 -0.015 0.000 1.073 16 N CA 0.103 53.185 53.050 0.054 0.000 0.748 16 N CB 0.013 38.591 38.487 0.151 0.000 0.894 16 N HN 0.274 nan 8.380 nan 0.000 0.548 17 P HA -0.049 nan 4.420 nan 0.000 0.219 17 P C 0.226 177.482 177.300 -0.074 0.000 1.150 17 P CA 1.023 64.033 63.100 -0.150 0.000 0.814 17 P CB 0.233 31.701 31.700 -0.387 0.000 0.787 18 D N -0.595 119.785 120.400 -0.034 0.000 2.358 18 D HA 0.158 4.798 4.640 -0.000 0.000 0.224 18 D C 1.115 177.387 176.300 -0.047 0.000 1.123 18 D CA 0.293 54.276 54.000 -0.028 0.000 0.833 18 D CB -0.379 40.413 40.800 -0.013 0.000 0.946 18 D HN 0.132 nan 8.370 nan 0.000 0.505 19 G N 1.796 110.573 108.800 -0.038 0.000 2.305 19 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.287 19 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.287 19 G C 0.459 175.303 174.900 -0.092 0.000 1.036 19 G CA -0.198 44.876 45.100 -0.043 0.000 0.887 19 G HN 0.316 nan 8.290 nan 0.000 0.505 20 I N -0.008 120.464 120.570 -0.163 0.000 2.634 20 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 20 I C 0.411 176.274 176.117 -0.423 0.000 1.124 20 I CA -0.115 60.969 61.300 -0.361 0.000 1.417 20 I CB 1.070 38.685 38.000 -0.641 0.000 1.396 20 I HN 0.144 nan 8.210 nan 0.000 0.571 21 D N 5.424 125.630 120.400 -0.324 0.000 2.412 21 D HA 0.245 4.885 4.640 -0.000 0.000 0.224 21 D C -0.934 175.244 176.300 -0.204 0.000 1.093 21 D CA -0.297 53.590 54.000 -0.187 0.000 0.850 21 D CB 0.289 41.036 40.800 -0.088 0.000 1.046 21 D HN 0.161 nan 8.370 nan 0.000 0.507 22 Y N 3.511 123.859 120.300 0.081 0.000 2.585 22 Y HA 0.174 4.724 4.550 -0.000 0.000 0.354 22 Y C 1.426 177.304 175.900 -0.036 0.000 1.024 22 Y CA -0.416 57.718 58.100 0.057 0.000 1.321 22 Y CB 0.877 39.307 38.460 -0.051 0.000 1.151 22 Y HN 0.258 nan 8.280 nan 0.000 0.525 23 K N 1.105 121.536 120.400 0.052 0.000 2.400 23 K HA 0.130 4.450 4.320 -0.000 0.000 0.194 23 K C 0.086 176.705 176.600 0.032 0.000 1.033 23 K CA 0.334 56.641 56.287 0.033 0.000 1.021 23 K CB 0.351 32.840 32.500 -0.017 0.000 0.808 23 K HN 0.456 nan 8.250 nan 0.000 0.505 24 T N -0.150 114.394 114.554 -0.017 0.000 2.876 24 T HA 0.466 4.815 4.350 -0.000 0.000 0.289 24 T C -0.475 174.153 174.700 -0.120 0.000 1.014 24 T CA -0.445 61.676 62.100 0.035 0.000 0.986 24 T CB 1.228 70.147 68.868 0.085 0.000 1.021 24 T HN 0.012 nan 8.240 nan 0.000 0.458 25 Y N -0.749 119.706 120.300 0.257 0.000 2.449 25 Y HA 0.241 4.791 4.550 -0.000 0.000 0.283 25 Y C 0.633 176.684 175.900 0.251 0.000 1.079 25 Y CA -0.562 57.686 58.100 0.247 0.000 1.099 25 Y CB 0.545 39.156 38.460 0.251 0.000 1.354 25 Y HN 0.469 nan 8.280 nan 0.000 0.569 26 D N 0.355 120.983 120.400 0.380 0.000 2.313 26 D HA 0.020 4.660 4.640 -0.000 0.000 0.247 26 D C -0.343 175.852 176.300 -0.174 0.000 1.094 26 D CA -0.230 53.948 54.000 0.297 0.000 0.925 26 D CB 0.665 41.744 40.800 0.465 0.000 1.188 26 D HN -0.040 nan 8.370 nan 0.000 0.430 27 Y N 1.141 120.770 120.300 -1.118 0.000 2.993 27 Y HA -0.023 4.526 4.550 -0.000 0.000 0.340 27 Y C -0.510 174.938 175.900 -0.753 0.000 1.273 27 Y CA 0.301 57.536 58.100 -1.442 0.000 1.545 27 Y CB 0.243 37.273 38.460 -2.385 0.000 1.275 27 Y HN -0.024 nan 8.280 nan 0.000 0.617 28 V N 7.357 126.676 119.914 -0.993 0.000 2.419 28 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 28 V C 0.630 175.952 176.094 -1.286 0.000 1.017 28 V CA -0.572 61.215 62.300 -0.855 0.000 0.844 28 V CB 0.995 32.607 31.823 -0.351 0.000 1.011 28 V HN 1.130 nan 8.190 nan 0.000 0.429 29 G N 2.334 110.013 108.800 -1.869 0.000 2.732 29 G HA2 0.274 4.234 3.960 -0.000 0.000 0.244 29 G HA3 0.274 4.234 3.960 -0.000 0.000 0.244 29 G C 1.377 175.202 174.900 -1.791 0.000 1.226 29 G CA 0.241 43.900 45.100 -2.403 0.000 0.860 29 G HN 1.138 nan 8.290 nan 0.000 0.583 30 V N -2.414 116.700 119.914 -1.334 0.000 2.828 30 V HA -0.139 3.980 4.120 -0.000 0.000 0.260 30 V C 2.023 177.809 176.094 -0.513 0.000 1.101 30 V CA 1.944 63.871 62.300 -0.622 0.000 1.123 30 V CB -1.309 30.394 31.823 -0.200 0.000 0.704 30 V HN 0.886 nan 8.190 nan 0.000 0.493 31 W N 1.419 122.385 121.300 -0.557 0.000 2.800 31 W HA 0.507 5.167 4.660 -0.001 0.000 0.249 31 W C 1.680 178.050 176.519 -0.248 0.000 1.294 31 W CA 0.271 57.282 57.345 -0.557 0.000 1.402 31 W CB -0.946 27.820 29.460 -1.157 0.000 1.126 31 W HN 0.238 nan 8.180 nan 0.000 0.652 32 G N -0.527 108.111 108.800 -0.270 0.000 4.100 32 G HA2 0.277 4.237 3.960 -0.000 0.000 0.294 32 G HA3 0.277 4.237 3.960 -0.000 0.000 0.294 32 G C -1.338 173.515 174.900 -0.077 0.000 1.040 32 G CA -0.374 44.678 45.100 -0.080 0.000 0.829 32 G HN 0.130 nan 8.290 nan 0.000 0.505 33 F N 2.678 122.445 119.950 -0.305 0.000 2.539 33 F HA 0.555 5.082 4.527 -0.000 0.000 0.328 33 F C -0.121 175.562 175.800 -0.194 0.000 1.148 33 F CA -1.233 56.573 58.000 -0.323 0.000 0.940 33 F CB 2.184 40.693 39.000 -0.818 0.000 1.194 33 F HN -0.002 nan 8.300 nan 0.000 0.438 34 S N 6.088 121.428 115.700 -0.600 0.000 2.512 34 S HA 0.290 4.759 4.470 -0.000 0.000 0.161 34 S C -2.450 171.744 174.600 -0.678 0.000 1.383 34 S CA -0.906 57.032 58.200 -0.437 0.000 1.248 34 S CB 0.613 63.720 63.200 -0.155 0.000 1.488 34 S HN 0.472 nan 8.310 nan 0.000 0.382 35 P HA -0.117 nan 4.420 nan 0.000 0.215 35 P C 1.574 178.204 177.300 -1.117 0.000 1.157 35 P CA 0.868 62.894 63.100 -1.790 0.000 0.868 35 P CB -0.099 30.554 31.700 -1.745 0.000 0.788 36 L N -0.461 120.326 121.223 -0.726 0.000 2.263 36 L HA -0.157 4.183 4.340 -0.000 0.000 0.216 36 L C 2.771 179.466 176.870 -0.292 0.000 1.111 36 L CA 1.199 55.808 54.840 -0.386 0.000 0.773 36 L CB -1.373 40.567 42.059 -0.198 0.000 0.906 36 L HN 0.060 nan 8.230 nan 0.000 0.439 37 S N 0.086 115.596 115.700 -0.317 0.000 2.389 37 S HA -0.287 4.182 4.470 -0.000 0.000 0.231 37 S C 1.380 175.899 174.600 -0.136 0.000 1.052 37 S CA 1.898 59.992 58.200 -0.177 0.000 1.053 37 S CB -0.089 63.042 63.200 -0.115 0.000 0.886 37 S HN 0.657 nan 8.310 nan 0.000 0.456 38 N N -1.510 117.065 118.700 -0.209 0.000 2.319 38 N HA -0.140 4.600 4.740 -0.000 0.000 0.215 38 N C 0.031 175.581 175.510 0.068 0.000 1.091 38 N CA 2.000 54.996 53.050 -0.090 0.000 2.762 38 N CB -2.111 36.324 38.487 -0.087 0.000 0.823 38 N HN 0.473 nan 8.380 nan 0.000 0.453 39 T N 2.527 117.113 114.554 0.053 0.000 2.871 39 T HA 0.145 4.494 4.350 -0.000 0.000 0.296 39 T C 0.872 175.574 174.700 0.004 0.000 0.998 39 T CA 0.613 62.711 62.100 -0.004 0.000 1.162 39 T CB 0.311 69.147 68.868 -0.054 0.000 0.947 39 T HN 0.368 nan 8.240 nan 0.000 0.536 40 N N -0.124 118.483 118.700 -0.154 0.000 2.828 40 N HA -0.142 4.597 4.740 -0.000 0.000 0.248 40 N C -1.030 174.285 175.510 -0.325 0.000 1.044 40 N CA 0.930 53.808 53.050 -0.287 0.000 0.851 40 N CB -1.262 36.977 38.487 -0.413 0.000 1.136 40 N HN 0.749 nan 8.380 nan 0.000 0.572 41 W N 0.298 121.433 121.300 -0.276 0.000 2.520 41 W HA 0.587 5.247 4.660 -0.000 0.000 0.323 41 W C 0.384 176.677 176.519 -0.378 0.000 1.062 41 W CA -0.557 56.634 57.345 -0.256 0.000 1.215 41 W CB 0.503 29.849 29.460 -0.189 0.000 1.340 41 W HN -0.139 nan 8.180 nan 0.000 0.516 42 F N 2.440 122.278 119.950 -0.186 0.000 2.389 42 F HA 0.594 5.121 4.527 -0.000 0.000 0.337 42 F C 0.753 176.495 175.800 -0.097 0.000 1.112 42 F CA -0.257 57.564 58.000 -0.298 0.000 1.192 42 F CB 0.808 39.239 39.000 -0.949 0.000 1.185 42 F HN 0.341 nan 8.300 nan 0.000 0.552 43 A N 1.563 124.525 122.820 0.236 0.000 2.556 43 A HA 0.798 5.118 4.320 -0.000 0.000 0.294 43 A C -1.081 176.575 177.584 0.120 0.000 1.091 43 A CA -0.729 51.439 52.037 0.218 0.000 0.704 43 A CB 0.733 19.798 19.000 0.109 0.000 1.300 43 A HN 0.991 nan 8.150 nan 0.000 0.406 44 A N -0.133 122.656 122.820 -0.052 0.000 2.546 44 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 44 A C 1.189 178.696 177.584 -0.128 0.000 1.063 44 A CA 0.678 52.516 52.037 -0.333 0.000 0.757 44 A CB -0.266 18.558 19.000 -0.292 0.000 0.991 44 A HN 1.949 nan 8.150 nan 0.000 0.503 45 G N 0.583 109.296 108.800 -0.145 0.000 2.748 45 G HA2 0.436 4.395 3.960 -0.000 0.000 0.204 45 G HA3 0.436 4.395 3.960 -0.000 0.000 0.204 45 G C 0.338 175.225 174.900 -0.023 0.000 1.095 45 G CA 1.017 46.092 45.100 -0.042 0.000 0.775 45 G HN 1.943 nan 8.290 nan 0.000 0.531 46 S N -1.383 114.289 115.700 -0.047 0.000 2.707 46 S HA 0.561 5.031 4.470 -0.000 0.000 0.270 46 S C -0.857 173.740 174.600 -0.005 0.000 1.031 46 S CA 0.208 58.413 58.200 0.007 0.000 0.866 46 S CB 1.037 64.246 63.200 0.016 0.000 1.114 46 S HN 1.275 nan 8.310 nan 0.000 0.465 47 S N -0.255 115.470 115.700 0.041 0.000 2.705 47 S HA 0.963 5.433 4.470 -0.000 0.000 0.280 47 S C -1.114 173.492 174.600 0.011 0.000 1.174 47 S CA -0.246 57.975 58.200 0.036 0.000 0.823 47 S CB 1.325 64.589 63.200 0.106 0.000 1.162 47 S HN 2.067 nan 8.310 nan 0.000 0.487 48 T N -0.906 113.634 114.554 -0.022 0.000 3.032 48 T HA 0.654 5.004 4.350 -0.000 0.000 0.312 48 T C -3.389 171.194 174.700 -0.195 0.000 1.078 48 T CA -1.412 60.631 62.100 -0.095 0.000 1.028 48 T CB 1.103 69.922 68.868 -0.081 0.000 1.091 48 T HN 0.437 nan 8.240 nan 0.000 0.457 49 P HA 0.326 nan 4.420 nan 0.000 0.267 49 P C 0.785 177.794 177.300 -0.485 0.000 1.201 49 P CA 0.159 62.688 63.100 -0.953 0.000 0.775 49 P CB 0.281 31.201 31.700 -1.301 0.000 0.854 50 G N 0.575 109.167 108.800 -0.348 0.000 4.530 50 G HA2 0.507 4.466 3.960 -0.000 0.000 0.284 50 G HA3 0.507 4.466 3.960 -0.000 0.000 0.284 50 G C 0.167 175.096 174.900 0.050 0.000 1.008 50 G CA 0.244 45.304 45.100 -0.067 0.000 0.770 50 G HN 0.901 nan 8.290 nan 0.000 0.424 51 G N 0.081 108.931 108.800 0.084 0.000 2.690 51 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.686 51 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.686 51 G C -0.732 174.340 174.900 0.286 0.000 1.277 51 G CA -0.540 44.668 45.100 0.180 0.000 0.799 51 G HN 0.756 nan 8.290 nan 0.000 0.613 52 I N 1.497 122.202 120.570 0.226 0.000 2.468 52 I HA 0.504 4.674 4.170 -0.000 0.000 0.284 52 I C 0.454 176.651 176.117 0.133 0.000 1.038 52 I CA -0.435 60.973 61.300 0.180 0.000 1.083 52 I CB 2.223 40.309 38.000 0.144 0.000 1.223 52 I HN 0.870 nan 8.210 nan 0.000 0.443 53 T N 0.988 115.614 114.554 0.121 0.000 2.855 53 T HA 0.521 4.871 4.350 -0.000 0.000 0.281 53 T C -0.055 174.710 174.700 0.108 0.000 1.007 53 T CA -0.246 61.912 62.100 0.098 0.000 1.009 53 T CB 2.040 70.953 68.868 0.075 0.000 0.983 53 T HN 0.677 nan 8.240 nan 0.000 0.455 54 D N 1.249 121.708 120.400 0.098 0.000 3.497 54 D HA -0.182 4.457 4.640 -0.000 0.000 0.178 54 D C -0.340 176.141 176.300 0.302 0.000 1.185 54 D CA 1.367 55.427 54.000 0.100 0.000 1.091 54 D CB -0.902 39.920 40.800 0.037 0.000 0.574 54 D HN 0.735 nan 8.370 nan 0.000 0.650 55 W N 1.284 122.580 121.300 -0.007 0.000 3.102 55 W HA 0.359 5.018 4.660 -0.000 0.000 0.401 55 W C 0.056 176.551 176.519 -0.040 0.000 1.070 55 W CA 0.119 57.443 57.345 -0.036 0.000 1.921 55 W CB -0.144 29.295 29.460 -0.033 0.000 1.118 55 W HN -0.037 nan 8.180 nan 0.000 0.647 56 T N 1.013 115.687 114.554 0.199 0.000 2.779 56 T HA 0.735 5.085 4.350 -0.000 0.000 0.280 56 T C -0.045 174.735 174.700 0.134 0.000 0.987 56 T CA -0.308 61.878 62.100 0.145 0.000 0.966 56 T CB 2.036 70.992 68.868 0.147 0.000 0.933 56 T HN -0.074 nan 8.240 nan 0.000 0.442 57 A N 2.742 125.637 122.820 0.124 0.000 2.337 57 A HA 0.823 5.143 4.320 -0.000 0.000 0.331 57 A C 0.053 177.791 177.584 0.257 0.000 1.137 57 A CA -0.720 51.416 52.037 0.165 0.000 0.807 57 A CB 1.027 20.031 19.000 0.006 0.000 1.250 57 A HN 0.680 nan 8.150 nan 0.000 0.468 58 T N 2.422 117.180 114.554 0.340 0.000 2.807 58 T HA 0.577 4.927 4.350 -0.000 0.000 0.279 58 T C -0.370 174.556 174.700 0.376 0.000 0.993 58 T CA -0.081 62.203 62.100 0.307 0.000 0.970 58 T CB 0.797 69.790 68.868 0.207 0.000 0.950 58 T HN 0.568 nan 8.240 nan 0.000 0.441 59 M N 3.350 123.158 119.600 0.347 0.000 2.227 59 M HA 0.397 4.877 4.480 -0.000 0.000 0.335 59 M C -0.190 176.210 176.300 0.167 0.000 1.053 59 M CA -0.860 54.611 55.300 0.284 0.000 0.973 59 M CB 1.223 34.066 32.600 0.404 0.000 1.623 59 M HN 0.338 nan 8.290 nan 0.000 0.434 60 N N 3.187 121.936 118.700 0.081 0.000 2.555 60 N HA 0.205 4.945 4.740 -0.000 0.000 0.244 60 N C -1.012 174.507 175.510 0.015 0.000 1.114 60 N CA 0.001 53.081 53.050 0.049 0.000 0.963 60 N CB 0.730 39.226 38.487 0.015 0.000 1.276 60 N HN 0.358 nan 8.380 nan 0.000 0.510 61 V N 2.960 122.864 119.914 -0.016 0.000 2.432 61 V HA 0.147 4.266 4.120 -0.000 0.000 0.275 61 V C 0.485 176.456 176.094 -0.204 0.000 1.043 61 V CA -0.864 61.327 62.300 -0.182 0.000 0.925 61 V CB 0.840 32.379 31.823 -0.474 0.000 0.985 61 V HN 0.486 nan 8.190 nan 0.000 0.466 62 N N 5.194 123.791 118.700 -0.172 0.000 2.408 62 N HA 0.312 5.052 4.740 -0.000 0.000 0.257 62 N C -0.930 174.488 175.510 -0.153 0.000 1.064 62 N CA -0.118 52.883 53.050 -0.081 0.000 0.952 62 N CB 0.978 39.448 38.487 -0.029 0.000 1.093 62 N HN 0.439 nan 8.380 nan 0.000 0.490 63 F N 1.319 121.266 119.950 -0.005 0.000 2.424 63 F HA 0.183 4.709 4.527 -0.000 0.000 0.356 63 F C 0.850 176.795 175.800 0.241 0.000 1.110 63 F CA -0.519 57.518 58.000 0.062 0.000 1.161 63 F CB 0.849 39.844 39.000 -0.008 0.000 1.115 63 F HN 0.231 nan 8.300 nan 0.000 0.507 64 D N 2.951 123.572 120.400 0.369 0.000 2.181 64 D HA 0.234 4.874 4.640 -0.000 0.000 0.248 64 D C 0.132 176.550 176.300 0.197 0.000 1.020 64 D CA -0.642 53.540 54.000 0.303 0.000 0.891 64 D CB 1.212 42.085 40.800 0.121 0.000 1.187 64 D HN 0.221 nan 8.370 nan 0.000 0.443 65 R N 1.704 122.143 120.500 -0.100 0.000 2.421 65 R HA 0.124 4.464 4.340 -0.000 0.000 0.305 65 R C 1.144 177.344 176.300 -0.167 0.000 1.039 65 R CA -0.051 55.795 56.100 -0.424 0.000 1.003 65 R CB 0.277 30.305 30.300 -0.453 0.000 0.959 65 R HN 0.514 nan 8.270 nan 0.000 0.427 66 I N 1.646 122.139 120.570 -0.127 0.000 2.850 66 I HA -0.246 3.923 4.170 -0.000 0.000 0.266 66 I C 1.114 177.192 176.117 -0.066 0.000 1.257 66 I CA 1.305 62.568 61.300 -0.062 0.000 1.465 66 I CB -0.197 37.778 38.000 -0.041 0.000 1.091 66 I HN 0.500 nan 8.210 nan 0.000 0.467 67 D N -0.352 119.993 120.400 -0.091 0.000 2.593 67 D HA 0.070 4.710 4.640 -0.000 0.000 0.241 67 D C 0.012 176.268 176.300 -0.074 0.000 1.257 67 D CA -0.169 53.784 54.000 -0.077 0.000 0.828 67 D CB -0.260 40.490 40.800 -0.083 0.000 1.049 67 D HN 0.243 nan 8.370 nan 0.000 0.490 68 N N 0.513 119.173 118.700 -0.068 0.000 3.884 68 N HA -0.021 4.719 4.740 -0.000 0.000 0.110 68 N C -2.525 172.963 175.510 -0.037 0.000 0.959 68 N CA -0.307 52.714 53.050 -0.049 0.000 2.629 68 N CB 0.842 39.296 38.487 -0.055 0.000 1.472 68 N HN -0.143 nan 8.380 nan 0.000 0.776 69 P HA -0.116 nan 4.420 nan 0.000 0.223 69 P C 1.470 178.785 177.300 0.025 0.000 1.144 69 P CA 1.226 64.326 63.100 0.002 0.000 0.783 69 P CB 0.187 31.889 31.700 0.003 0.000 0.771 70 S N 0.135 115.845 115.700 0.016 0.000 2.381 70 S HA -0.200 4.270 4.470 -0.000 0.000 0.230 70 S C 1.064 175.694 174.600 0.050 0.000 1.052 70 S CA 1.098 59.314 58.200 0.026 0.000 1.068 70 S CB -1.533 61.676 63.200 0.016 0.000 0.918 70 S HN 0.177 nan 8.310 nan 0.000 0.448 71 I N 2.511 123.114 120.570 0.055 0.000 2.406 71 I HA 0.238 4.407 4.170 -0.000 0.000 0.293 71 I C 0.362 176.613 176.117 0.223 0.000 1.101 71 I CA 0.048 61.414 61.300 0.109 0.000 1.334 71 I CB 0.320 38.367 38.000 0.078 0.000 1.421 71 I HN 0.162 nan 8.210 nan 0.000 0.513 72 T N 6.161 120.851 114.554 0.226 0.000 2.893 72 T HA 0.728 5.078 4.350 -0.000 0.000 0.291 72 T C -0.426 174.377 174.700 0.173 0.000 1.028 72 T CA -0.520 61.740 62.100 0.268 0.000 0.995 72 T CB 1.616 70.571 68.868 0.145 0.000 1.051 72 T HN 0.376 nan 8.240 nan 0.000 0.470 73 V N 1.852 121.810 119.914 0.074 0.000 3.164 73 V HA 0.817 4.937 4.120 -0.000 0.000 0.313 73 V C -1.028 175.006 176.094 -0.099 0.000 1.188 73 V CA -1.018 61.218 62.300 -0.106 0.000 1.058 73 V CB 1.670 33.311 31.823 -0.303 0.000 1.110 73 V HN 1.051 nan 8.190 nan 0.000 0.453 74 Q N 0.108 119.742 119.800 -0.278 0.000 2.389 74 Q HA 0.586 4.925 4.340 -0.000 0.000 0.277 74 Q C -2.000 173.747 176.000 -0.422 0.000 1.082 74 Q CA -0.677 55.018 55.803 -0.181 0.000 0.810 74 Q CB 2.162 30.836 28.738 -0.108 0.000 1.374 74 Q HN 1.032 nan 8.270 nan 0.000 0.422 75 H N 1.992 121.148 119.070 0.145 0.000 3.087 75 H HA 0.314 4.870 4.556 -0.001 0.000 0.348 75 H C -2.687 172.705 175.328 0.106 0.000 1.092 75 H CA -1.507 54.593 56.048 0.088 0.000 1.285 75 H CB 1.982 31.717 29.762 -0.045 0.000 1.875 75 H HN 0.532 nan 8.280 nan 0.000 0.512 76 P HA 0.103 nan 4.420 nan 0.000 0.276 76 P C -0.291 177.137 177.300 0.213 0.000 1.235 76 P CA -0.338 62.871 63.100 0.182 0.000 0.772 76 P CB 0.901 32.696 31.700 0.158 0.000 0.871 77 V N 4.781 124.814 119.914 0.198 0.000 2.384 77 V HA 0.217 4.337 4.120 -0.000 0.000 0.287 77 V C 0.490 176.769 176.094 0.309 0.000 1.020 77 V CA -0.503 61.942 62.300 0.242 0.000 0.850 77 V CB 1.014 32.896 31.823 0.098 0.000 0.987 77 V HN 0.483 nan 8.190 nan 0.000 0.436 78 Q N 2.780 122.773 119.800 0.322 0.000 2.293 78 Q HA 0.562 4.902 4.340 -0.000 0.000 0.251 78 Q C -0.961 175.254 176.000 0.360 0.000 0.930 78 Q CA -0.382 55.601 55.803 0.300 0.000 0.893 78 Q CB 2.158 31.041 28.738 0.242 0.000 1.215 78 Q HN 0.572 nan 8.270 nan 0.000 0.425 79 V N 2.840 122.944 119.914 0.316 0.000 2.407 79 V HA 0.232 4.352 4.120 -0.000 0.000 0.291 79 V C -0.618 175.580 176.094 0.173 0.000 1.018 79 V CA -0.623 61.868 62.300 0.318 0.000 0.842 79 V CB 1.533 33.543 31.823 0.311 0.000 0.996 79 V HN 0.701 nan 8.190 nan 0.000 0.426 80 Q N 3.588 123.495 119.800 0.180 0.000 2.322 80 Q HA 0.589 4.929 4.340 -0.000 0.000 0.265 80 Q C -1.213 174.811 176.000 0.040 0.000 0.985 80 Q CA -0.578 55.288 55.803 0.105 0.000 0.849 80 Q CB 2.199 31.026 28.738 0.149 0.000 1.274 80 Q HN 0.569 nan 8.270 nan 0.000 0.449 81 V N 4.449 124.281 119.914 -0.137 0.000 2.415 81 V HA 0.030 4.149 4.120 -0.000 0.000 0.267 81 V C 1.202 177.427 176.094 0.218 0.000 1.042 81 V CA 0.687 62.898 62.300 -0.150 0.000 1.000 81 V CB 0.652 32.155 31.823 -0.533 0.000 1.015 81 V HN 1.062 nan 8.190 nan 0.000 0.478 82 T N 0.546 115.262 114.554 0.270 0.000 3.035 82 T HA 0.088 4.438 4.350 -0.000 0.000 0.259 82 T C 0.779 175.713 174.700 0.390 0.000 1.078 82 T CA 0.503 62.807 62.100 0.339 0.000 1.132 82 T CB 0.323 69.393 68.868 0.337 0.000 0.900 82 T HN 0.558 nan 8.240 nan 0.000 0.480 83 S N -0.385 115.535 115.700 0.365 0.000 2.652 83 S HA 0.396 4.865 4.470 -0.000 0.000 0.273 83 S C -0.442 174.343 174.600 0.309 0.000 1.172 83 S CA -0.900 57.526 58.200 0.377 0.000 1.009 83 S CB 1.026 64.420 63.200 0.323 0.000 1.094 83 S HN 0.315 nan 8.310 nan 0.000 0.471 84 Y N 5.305 125.720 120.300 0.192 0.000 2.243 84 Y HA 0.128 4.678 4.550 -0.000 0.000 0.293 84 Y C 1.747 177.718 175.900 0.118 0.000 1.124 84 Y CA 1.639 59.775 58.100 0.059 0.000 1.159 84 Y CB 0.028 38.464 38.460 -0.040 0.000 1.008 84 Y HN 0.668 nan 8.280 nan 0.000 0.527 85 N N 0.350 119.247 118.700 0.328 0.000 2.331 85 N HA -0.113 4.626 4.740 -0.000 0.000 0.180 85 N C 0.404 176.005 175.510 0.152 0.000 1.019 85 N CA 1.234 54.417 53.050 0.222 0.000 0.881 85 N CB -0.223 38.417 38.487 0.256 0.000 0.972 85 N HN 0.516 nan 8.380 nan 0.000 0.435 86 N N 0.645 119.458 118.700 0.189 0.000 2.200 86 N HA 0.094 4.834 4.740 -0.000 0.000 0.224 86 N C -0.857 174.798 175.510 0.242 0.000 1.179 86 N CA -0.099 53.077 53.050 0.209 0.000 0.877 86 N CB 0.474 39.096 38.487 0.226 0.000 1.072 86 N HN 0.062 nan 8.380 nan 0.000 0.519 87 N N 1.526 120.336 118.700 0.183 0.000 2.746 87 N HA -0.127 4.613 4.740 -0.000 0.000 0.250 87 N C -0.947 174.755 175.510 0.320 0.000 1.055 87 N CA 0.879 54.047 53.050 0.197 0.000 0.699 87 N CB -1.320 37.315 38.487 0.246 0.000 0.919 87 N HN 0.371 nan 8.380 nan 0.000 0.548 88 S N -0.683 115.214 115.700 0.328 0.000 2.538 88 S HA 0.761 5.231 4.470 -0.000 0.000 0.288 88 S C -0.384 174.465 174.600 0.415 0.000 1.108 88 S CA -0.848 57.588 58.200 0.393 0.000 0.971 88 S CB 2.479 65.912 63.200 0.389 0.000 1.041 88 S HN 0.366 nan 8.310 nan 0.000 0.483 89 Y N 1.004 121.491 120.300 0.312 0.000 2.968 89 Y HA 0.845 5.394 4.550 -0.001 0.000 0.316 89 Y C -0.284 175.733 175.900 0.195 0.000 1.359 89 Y CA -1.451 56.780 58.100 0.218 0.000 1.107 89 Y CB 0.884 39.469 38.460 0.208 0.000 1.374 89 Y HN 0.972 nan 8.280 nan 0.000 0.621 90 R N 0.570 121.159 120.500 0.148 0.000 2.644 90 R HA 0.630 4.970 4.340 -0.000 0.000 0.257 90 R C -2.721 173.725 176.300 0.244 0.000 1.082 90 R CA -0.636 55.404 56.100 -0.100 0.000 0.927 90 R CB 2.240 32.343 30.300 -0.329 0.000 1.258 90 R HN 0.718 nan 8.270 nan 0.000 0.459 91 V N 4.508 124.566 119.914 0.240 0.000 2.577 91 V HA 0.649 4.769 4.120 -0.000 0.000 0.303 91 V C -0.636 175.743 176.094 0.474 0.000 1.042 91 V CA -0.820 61.774 62.300 0.490 0.000 0.872 91 V CB 1.677 33.954 31.823 0.757 0.000 0.998 91 V HN 0.869 nan 8.190 nan 0.000 0.423 92 R N 4.197 124.975 120.500 0.463 0.000 2.707 92 R HA 0.889 5.229 4.340 -0.000 0.000 0.272 92 R C -1.759 174.816 176.300 0.459 0.000 1.011 92 R CA -0.612 55.734 56.100 0.409 0.000 0.893 92 R CB 2.679 33.109 30.300 0.217 0.000 1.233 92 R HN 0.760 nan 8.270 nan 0.000 0.464 93 F N -0.777 119.313 119.950 0.233 0.000 2.807 93 F HA 0.516 5.043 4.527 -0.000 0.000 0.316 93 F C -2.203 173.588 175.800 -0.015 0.000 1.162 93 F CA -1.132 56.912 58.000 0.074 0.000 0.910 93 F CB 1.602 40.608 39.000 0.009 0.000 1.314 93 F HN 0.542 nan 8.300 nan 0.000 0.454 94 N N 1.875 120.605 118.700 0.050 0.000 2.504 94 N HA 0.492 5.232 4.740 -0.000 0.000 0.280 94 N C -2.434 172.879 175.510 -0.328 0.000 1.052 94 N CA -2.553 50.389 53.050 -0.181 0.000 0.887 94 N CB 2.520 40.939 38.487 -0.113 0.000 1.323 94 N HN 0.434 nan 8.380 nan 0.000 0.509 95 P HA 0.149 nan 4.420 nan 0.000 0.245 95 P C -0.301 176.589 177.300 -0.683 0.000 1.212 95 P CA 0.735 63.123 63.100 -1.187 0.000 0.774 95 P CB 0.746 31.539 31.700 -1.511 0.000 0.999 96 D N -1.111 119.063 120.400 -0.377 0.000 2.498 96 D HA 0.236 4.875 4.640 -0.000 0.000 0.223 96 D C 1.145 177.371 176.300 -0.125 0.000 1.125 96 D CA 0.464 54.336 54.000 -0.213 0.000 0.835 96 D CB 1.799 42.494 40.800 -0.176 0.000 1.086 96 D HN 0.167 nan 8.370 nan 0.000 0.510 97 G N 1.204 109.935 108.800 -0.115 0.000 2.489 97 G HA2 0.345 4.305 3.960 -0.000 0.000 0.305 97 G HA3 0.345 4.305 3.960 -0.000 0.000 0.305 97 G C -2.985 171.888 174.900 -0.045 0.000 1.311 97 G CA -0.773 44.289 45.100 -0.063 0.000 0.813 97 G HN -0.286 nan 8.290 nan 0.000 0.480 98 P HA 0.327 nan 4.420 nan 0.000 0.272 98 P C -0.100 177.185 177.300 -0.025 0.000 1.230 98 P CA -0.138 62.956 63.100 -0.009 0.000 0.788 98 P CB 0.935 32.630 31.700 -0.008 0.000 0.949 99 I N 1.707 122.286 120.570 0.015 0.000 2.533 99 I HA 0.163 4.333 4.170 -0.000 0.000 0.284 99 I C 1.273 177.394 176.117 0.006 0.000 1.109 99 I CA 0.262 61.578 61.300 0.026 0.000 1.412 99 I CB 0.037 38.087 38.000 0.083 0.000 1.396 99 I HN 0.253 nan 8.210 nan 0.000 0.543 100 R N 5.225 125.720 120.500 -0.008 0.000 2.476 100 R HA 0.255 4.594 4.340 -0.000 0.000 0.305 100 R C -1.138 175.255 176.300 0.155 0.000 0.965 100 R CA -0.671 55.423 56.100 -0.009 0.000 0.867 100 R CB 1.058 31.192 30.300 -0.276 0.000 1.176 100 R HN 0.527 nan 8.270 nan 0.000 0.447 101 D N 3.716 124.194 120.400 0.128 0.000 2.425 101 D HA 0.030 4.670 4.640 -0.000 0.000 0.247 101 D C 0.528 176.934 176.300 0.176 0.000 1.147 101 D CA 0.218 54.294 54.000 0.126 0.000 0.879 101 D CB 1.170 42.012 40.800 0.070 0.000 1.179 101 D HN 0.318 nan 8.370 nan 0.000 0.456 102 V N 0.598 120.545 119.914 0.056 0.000 3.003 102 V HA 0.309 4.429 4.120 -0.000 0.000 0.305 102 V C 1.261 177.302 176.094 -0.089 0.000 1.078 102 V CA -0.206 61.995 62.300 -0.164 0.000 1.083 102 V CB 1.130 32.756 31.823 -0.328 0.000 1.039 102 V HN 0.694 nan 8.190 nan 0.000 0.481 103 T N -0.977 113.505 114.554 -0.120 0.000 2.990 103 T HA 0.271 4.620 4.350 -0.000 0.000 0.250 103 T C 0.656 175.333 174.700 -0.037 0.000 1.041 103 T CA 0.188 62.263 62.100 -0.042 0.000 1.010 103 T CB 0.019 68.887 68.868 0.000 0.000 1.003 103 T HN 0.841 nan 8.240 nan 0.000 0.499 104 R N 0.312 120.757 120.500 -0.091 0.000 2.628 104 R HA 0.611 4.951 4.340 -0.000 0.000 0.288 104 R C -0.995 175.220 176.300 -0.141 0.000 0.980 104 R CA -0.142 55.935 56.100 -0.038 0.000 0.891 104 R CB 1.644 31.940 30.300 -0.007 0.000 1.188 104 R HN 0.415 nan 8.270 nan 0.000 0.450 105 G N 3.406 112.149 108.800 -0.094 0.000 2.353 105 G HA2 0.053 4.013 3.960 -0.000 0.000 0.308 105 G HA3 0.053 4.013 3.960 -0.000 0.000 0.308 105 G C -2.831 172.047 174.900 -0.037 0.000 1.418 105 G CA -0.950 44.011 45.100 -0.232 0.000 0.966 105 G HN 0.377 nan 8.290 nan 0.000 0.638 106 P HA 0.099 nan 4.420 nan 0.000 0.214 106 P C 0.833 178.062 177.300 -0.119 0.000 1.162 106 P CA 0.823 63.875 63.100 -0.080 0.000 0.879 106 P CB 0.204 31.773 31.700 -0.218 0.000 0.786 107 I N 0.339 120.875 120.570 -0.056 0.000 2.304 107 I HA 0.195 4.364 4.170 -0.000 0.000 0.291 107 I C 0.222 176.332 176.117 -0.012 0.000 1.018 107 I CA -0.406 60.866 61.300 -0.045 0.000 1.260 107 I CB 0.237 38.239 38.000 0.003 0.000 1.390 107 I HN -0.080 nan 8.210 nan 0.000 0.475 108 L N 5.743 126.938 121.223 -0.045 0.000 2.334 108 L HA 0.396 4.735 4.340 -0.000 0.000 0.273 108 L C 1.527 178.332 176.870 -0.109 0.000 1.013 108 L CA -0.680 54.109 54.840 -0.085 0.000 0.816 108 L CB 2.248 44.225 42.059 -0.136 0.000 1.278 108 L HN 0.564 nan 8.230 nan 0.000 0.431 109 K N 1.056 121.396 120.400 -0.099 0.000 2.152 109 K HA -0.206 4.114 4.320 -0.000 0.000 0.206 109 K C 1.382 177.884 176.600 -0.163 0.000 1.048 109 K CA 1.781 58.022 56.287 -0.078 0.000 0.933 109 K CB 0.261 32.735 32.500 -0.043 0.000 0.721 109 K HN 0.595 nan 8.250 nan 0.000 0.447 110 Q N -0.089 119.490 119.800 -0.368 0.000 2.311 110 Q HA -0.121 4.218 4.340 -0.000 0.000 0.203 110 Q C 1.806 177.484 176.000 -0.536 0.000 0.954 110 Q CA 1.087 56.567 55.803 -0.537 0.000 0.885 110 Q CB 0.072 28.252 28.738 -0.931 0.000 0.963 110 Q HN 0.312 nan 8.270 nan 0.000 0.471 111 Q N 0.389 119.902 119.800 -0.478 0.000 2.089 111 Q HA 0.024 4.363 4.340 -0.000 0.000 0.195 111 Q C 1.706 177.779 176.000 0.122 0.000 0.963 111 Q CA 1.008 56.781 55.803 -0.050 0.000 0.834 111 Q CB -0.114 28.655 28.738 0.052 0.000 0.906 111 Q HN 0.379 nan 8.270 nan 0.000 0.452 112 L N 0.828 122.092 121.223 0.067 0.000 2.013 112 L HA -0.256 4.083 4.340 -0.000 0.000 0.212 112 L C 1.917 178.852 176.870 0.108 0.000 1.073 112 L CA 1.605 56.521 54.840 0.127 0.000 0.753 112 L CB -0.666 41.465 42.059 0.120 0.000 0.890 112 L HN 0.298 nan 8.230 nan 0.000 0.432 113 D N -1.054 119.377 120.400 0.053 0.000 2.149 113 D HA -0.235 4.405 4.640 -0.000 0.000 0.198 113 D C 1.722 178.061 176.300 0.065 0.000 0.990 113 D CA 1.134 55.146 54.000 0.020 0.000 0.839 113 D CB -0.175 40.620 40.800 -0.007 0.000 0.948 113 D HN 0.439 nan 8.370 nan 0.000 0.460 114 W N 1.160 122.447 121.300 -0.022 0.000 2.407 114 W HA -0.041 4.619 4.660 -0.001 0.000 0.305 114 W C 2.119 178.651 176.519 0.021 0.000 1.196 114 W CA 0.882 58.242 57.345 0.025 0.000 1.311 114 W CB -0.331 29.194 29.460 0.108 0.000 1.135 114 W HN -0.145 nan 8.180 nan 0.000 0.514 115 I N 0.464 121.247 120.570 0.354 0.000 2.163 115 I HA -0.356 3.813 4.170 -0.000 0.000 0.243 115 I C 2.684 178.781 176.117 -0.034 0.000 1.085 115 I CA 1.931 63.359 61.300 0.213 0.000 1.347 115 I CB -0.795 37.391 38.000 0.310 0.000 1.044 115 I HN -0.039 nan 8.210 nan 0.000 0.408 116 R N 0.321 120.762 120.500 -0.097 0.000 2.081 116 R HA -0.158 4.181 4.340 -0.000 0.000 0.235 116 R C 2.321 178.336 176.300 -0.474 0.000 1.131 116 R CA 1.993 57.840 56.100 -0.421 0.000 0.960 116 R CB -0.267 29.708 30.300 -0.542 0.000 0.856 116 R HN 0.280 nan 8.270 nan 0.000 0.436 117 T N 0.942 115.284 114.554 -0.354 0.000 2.674 117 T HA -0.156 4.194 4.350 -0.000 0.000 0.265 117 T C 1.707 176.189 174.700 -0.364 0.000 1.039 117 T CA 1.123 63.017 62.100 -0.343 0.000 1.150 117 T CB -0.166 68.526 68.868 -0.294 0.000 0.864 117 T HN 0.264 nan 8.240 nan 0.000 0.427 118 Q N 0.982 120.481 119.800 -0.503 0.000 2.029 118 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 118 Q C 2.302 178.170 176.000 -0.219 0.000 0.999 118 Q CA 1.853 57.386 55.803 -0.451 0.000 0.857 118 Q CB -0.457 27.919 28.738 -0.604 0.000 0.926 118 Q HN 0.659 nan 8.270 nan 0.000 0.415 119 E N 0.135 120.252 120.200 -0.139 0.000 2.150 119 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 119 E C 2.206 178.804 176.600 -0.003 0.000 0.985 119 E CA 0.330 56.743 56.400 0.021 0.000 0.814 119 E CB -0.054 29.785 29.700 0.233 0.000 0.752 119 E HN 0.262 nan 8.360 nan 0.000 0.466 120 L N 0.895 122.041 121.223 -0.129 0.000 2.083 120 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 120 L C 2.539 179.360 176.870 -0.083 0.000 1.083 120 L CA 1.413 56.182 54.840 -0.118 0.000 0.752 120 L CB -0.330 41.578 42.059 -0.252 0.000 0.899 120 L HN 0.224 nan 8.230 nan 0.000 0.433 121 S N -1.790 113.846 115.700 -0.106 0.000 2.522 121 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 121 S C 1.509 176.081 174.600 -0.046 0.000 0.986 121 S CA 0.429 58.583 58.200 -0.077 0.000 0.929 121 S CB -0.120 63.025 63.200 -0.092 0.000 0.769 121 S HN 0.450 nan 8.310 nan 0.000 0.529 122 E N 0.829 121.007 120.200 -0.036 0.000 2.371 122 E HA 0.196 4.546 4.350 -0.000 0.000 0.194 122 E C 1.192 177.789 176.600 -0.006 0.000 1.012 122 E CA 0.314 56.710 56.400 -0.007 0.000 0.860 122 E CB -0.102 29.610 29.700 0.019 0.000 0.811 122 E HN 0.738 nan 8.360 nan 0.000 0.502 123 G N 1.141 109.931 108.800 -0.016 0.000 2.131 123 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.223 123 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.223 123 G C 0.238 175.092 174.900 -0.077 0.000 0.990 123 G CA -0.090 44.994 45.100 -0.027 0.000 0.671 123 G HN 0.256 nan 8.290 nan 0.000 0.521 124 C N 0.703 119.943 119.300 -0.100 0.000 2.634 124 C HA 0.501 4.960 4.460 -0.000 0.000 0.418 124 C C 0.549 175.335 174.990 -0.340 0.000 1.373 124 C CA 0.271 59.045 59.018 -0.407 0.000 1.756 124 C CB 0.677 28.227 27.740 -0.317 0.000 2.589 124 C HN 0.532 nan 8.230 nan 0.000 0.602 125 D N 2.589 122.613 120.400 -0.627 0.000 2.402 125 D HA 0.337 4.977 4.640 -0.000 0.000 0.252 125 D C -1.778 174.313 176.300 -0.349 0.000 1.294 125 D CA -1.361 52.452 54.000 -0.311 0.000 0.948 125 D CB 1.191 41.908 40.800 -0.139 0.000 1.202 125 D HN 0.170 nan 8.370 nan 0.000 0.561 126 P HA 0.128 nan 4.420 nan 0.000 0.225 126 P C 0.773 178.015 177.300 -0.097 0.000 1.148 126 P CA 0.670 63.634 63.100 -0.226 0.000 0.779 126 P CB 0.223 31.537 31.700 -0.643 0.000 0.780 127 G N -0.039 108.693 108.800 -0.113 0.000 2.356 127 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.296 127 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.296 127 G C 0.130 174.998 174.900 -0.052 0.000 1.022 127 G CA -0.079 44.988 45.100 -0.055 0.000 0.961 127 G HN 0.237 nan 8.290 nan 0.000 0.510 128 M N 0.236 119.783 119.600 -0.090 0.000 2.261 128 M HA 0.236 4.716 4.480 -0.000 0.000 0.350 128 M C 0.428 176.675 176.300 -0.089 0.000 1.343 128 M CA 1.262 56.507 55.300 -0.091 0.000 1.003 128 M CB 0.279 32.797 32.600 -0.137 0.000 1.848 128 M HN 0.186 nan 8.290 nan 0.000 0.456 129 T N 3.599 118.064 114.554 -0.147 0.000 3.295 129 T HA 0.416 4.766 4.350 -0.000 0.000 0.331 129 T C -1.106 173.475 174.700 -0.199 0.000 1.142 129 T CA -0.642 61.392 62.100 -0.110 0.000 1.078 129 T CB 0.744 69.585 68.868 -0.046 0.000 1.150 129 T HN 0.247 nan 8.240 nan 0.000 0.465 130 F N 3.528 123.481 119.950 0.005 0.000 2.438 130 F HA 0.377 4.903 4.527 -0.001 0.000 0.356 130 F C 1.775 177.553 175.800 -0.036 0.000 1.099 130 F CA -0.505 57.488 58.000 -0.011 0.000 1.185 130 F CB 0.862 39.856 39.000 -0.009 0.000 1.115 130 F HN 0.547 nan 8.300 nan 0.000 0.526 131 T N -1.055 113.572 114.554 0.121 0.000 2.726 131 T HA 0.102 4.451 4.350 -0.000 0.000 0.294 131 T C 1.484 176.160 174.700 -0.040 0.000 1.013 131 T CA -0.126 61.985 62.100 0.019 0.000 0.996 131 T CB 1.017 69.879 68.868 -0.011 0.000 1.016 131 T HN 0.636 nan 8.240 nan 0.000 0.529 132 S N 0.127 115.778 115.700 -0.082 0.000 2.399 132 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 132 S C 1.554 176.038 174.600 -0.193 0.000 1.022 132 S CA 1.288 59.427 58.200 -0.102 0.000 0.983 132 S CB -0.796 62.355 63.200 -0.081 0.000 0.803 132 S HN 0.797 nan 8.310 nan 0.000 0.480 133 E N 1.018 121.004 120.200 -0.357 0.000 2.347 133 E HA 0.285 4.635 4.350 -0.000 0.000 0.196 133 E C 1.530 177.752 176.600 -0.630 0.000 1.008 133 E CA 0.687 56.709 56.400 -0.630 0.000 0.852 133 E CB -0.482 28.478 29.700 -1.234 0.000 0.783 133 E HN 0.735 nan 8.360 nan 0.000 0.505 134 G N -0.458 108.121 108.800 -0.368 0.000 2.179 134 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 134 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 134 G C -0.205 174.816 174.900 0.201 0.000 0.990 134 G CA -0.384 44.654 45.100 -0.104 0.000 0.646 134 G HN 0.112 nan 8.290 nan 0.000 0.517 135 F N 0.466 120.490 119.950 0.124 0.000 2.443 135 F HA 0.650 5.176 4.527 -0.001 0.000 0.353 135 F C 0.640 176.430 175.800 -0.017 0.000 1.101 135 F CA -1.771 56.227 58.000 -0.005 0.000 1.226 135 F CB 1.072 39.975 39.000 -0.162 0.000 1.140 135 F HN 0.091 nan 8.300 nan 0.000 0.557 136 L N 4.138 125.383 121.223 0.037 0.000 2.276 136 L HA 0.567 4.906 4.340 -0.000 0.000 0.286 136 L C 0.077 176.771 176.870 -0.293 0.000 1.061 136 L CA 0.102 54.779 54.840 -0.273 0.000 0.807 136 L CB 0.690 42.548 42.059 -0.336 0.000 1.177 136 L HN 0.768 nan 8.230 nan 0.000 0.429 137 T N 2.101 116.495 114.554 -0.266 0.000 2.893 137 T HA 0.825 5.175 4.350 -0.000 0.000 0.291 137 T C -0.530 174.076 174.700 -0.158 0.000 1.028 137 T CA -0.568 61.355 62.100 -0.295 0.000 0.995 137 T CB 1.549 70.274 68.868 -0.238 0.000 1.051 137 T HN 0.579 nan 8.240 nan 0.000 0.470 138 F N -1.050 118.738 119.950 -0.271 0.000 2.923 138 F HA 0.918 5.444 4.527 -0.000 0.000 0.323 138 F C -1.315 174.360 175.800 -0.207 0.000 1.189 138 F CA -1.314 56.542 58.000 -0.239 0.000 0.930 138 F CB 1.248 40.088 39.000 -0.267 0.000 1.414 138 F HN 0.704 nan 8.300 nan 0.000 0.496 139 E N 0.090 120.424 120.200 0.223 0.000 2.343 139 E HA 0.517 4.867 4.350 -0.000 0.000 0.278 139 E C -1.370 175.308 176.600 0.131 0.000 0.910 139 E CA -0.907 55.541 56.400 0.080 0.000 0.757 139 E CB 2.772 32.501 29.700 0.048 0.000 1.218 139 E HN 0.879 nan 8.360 nan 0.000 0.435 140 T N -1.020 113.469 114.554 -0.107 0.000 2.938 140 T HA 0.323 4.672 4.350 -0.000 0.000 0.285 140 T C 1.079 175.279 174.700 -0.833 0.000 1.028 140 T CA -0.721 61.072 62.100 -0.511 0.000 1.005 140 T CB 1.665 70.410 68.868 -0.205 0.000 1.157 140 T HN 0.515 nan 8.240 nan 0.000 0.550 141 K N 0.266 119.950 120.400 -1.194 0.000 2.049 141 K HA -0.250 4.070 4.320 -0.000 0.000 0.219 141 K C 1.041 177.455 176.600 -0.310 0.000 1.056 141 K CA 2.718 58.598 56.287 -0.678 0.000 0.946 141 K CB -0.316 31.993 32.500 -0.319 0.000 0.723 141 K HN 0.662 nan 8.250 nan 0.000 0.453 142 D N -0.790 119.452 120.400 -0.263 0.000 2.423 142 D HA 0.153 4.793 4.640 -0.000 0.000 0.208 142 D C 0.427 176.570 176.300 -0.262 0.000 1.068 142 D CA 0.273 54.147 54.000 -0.211 0.000 0.860 142 D CB 0.420 41.105 40.800 -0.190 0.000 0.992 142 D HN 0.193 nan 8.370 nan 0.000 0.504 143 L N 0.023 121.075 121.223 -0.285 0.000 2.286 143 L HA 0.556 4.896 4.340 -0.000 0.000 0.265 143 L C 0.150 176.874 176.870 -0.244 0.000 1.012 143 L CA -0.891 53.777 54.840 -0.286 0.000 0.818 143 L CB 1.912 43.785 42.059 -0.311 0.000 1.337 143 L HN -0.193 nan 8.230 nan 0.000 0.438 144 S N -0.171 115.362 115.700 -0.279 0.000 2.540 144 S HA 0.795 5.264 4.470 -0.000 0.000 0.275 144 S C -1.200 173.114 174.600 -0.476 0.000 1.123 144 S CA -0.619 57.385 58.200 -0.327 0.000 0.907 144 S CB 2.078 65.129 63.200 -0.249 0.000 1.081 144 S HN 0.274 nan 8.310 nan 0.000 0.476 145 V N 3.654 123.115 119.914 -0.755 0.000 2.769 145 V HA 0.707 4.826 4.120 -0.000 0.000 0.312 145 V C -0.445 175.164 176.094 -0.808 0.000 1.061 145 V CA -0.779 60.954 62.300 -0.945 0.000 0.931 145 V CB 1.705 32.521 31.823 -1.679 0.000 1.010 145 V HN 0.983 nan 8.190 nan 0.000 0.433 146 I N 4.253 124.432 120.570 -0.651 0.000 2.769 146 I HA 0.644 4.814 4.170 -0.000 0.000 0.298 146 I C -1.569 174.149 176.117 -0.665 0.000 1.128 146 I CA -0.657 60.265 61.300 -0.630 0.000 1.031 146 I CB 2.041 39.686 38.000 -0.592 0.000 1.235 146 I HN 0.548 nan 8.210 nan 0.000 0.423 147 I N 6.784 126.935 120.570 -0.698 0.000 2.534 147 I HA 0.291 4.461 4.170 -0.000 0.000 0.286 147 I C -1.113 174.664 176.117 -0.567 0.000 1.094 147 I CA -0.495 60.436 61.300 -0.614 0.000 1.055 147 I CB 1.551 39.186 38.000 -0.607 0.000 1.225 147 I HN 0.508 nan 8.210 nan 0.000 0.435 148 Y N 3.058 123.160 120.300 -0.330 0.000 2.421 148 Y HA 0.348 4.898 4.550 -0.000 0.000 0.366 148 Y C 1.854 177.756 175.900 0.003 0.000 1.360 148 Y CA 0.415 58.304 58.100 -0.353 0.000 1.663 148 Y CB 0.228 38.380 38.460 -0.512 0.000 1.677 148 Y HN 0.608 nan 8.280 nan 0.000 0.584 149 G N 0.333 109.338 108.800 0.341 0.000 2.446 149 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 149 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 149 G C 1.077 176.088 174.900 0.185 0.000 1.168 149 G CA 1.196 46.472 45.100 0.293 0.000 0.771 149 G HN 0.677 nan 8.290 nan 0.000 0.551 150 N N -1.247 117.543 118.700 0.149 0.000 2.383 150 N HA 0.070 4.810 4.740 -0.000 0.000 0.192 150 N C 0.666 176.310 175.510 0.224 0.000 1.141 150 N CA -0.194 52.926 53.050 0.116 0.000 0.851 150 N CB -0.197 38.328 38.487 0.063 0.000 0.976 150 N HN 0.306 nan 8.380 nan 0.000 0.465 151 F N -0.912 119.060 119.950 0.037 0.000 2.439 151 F HA -0.240 4.287 4.527 -0.001 0.000 0.353 151 F C 0.294 176.130 175.800 0.060 0.000 0.600 151 F CA 0.161 58.187 58.000 0.044 0.000 1.636 151 F CB -1.346 37.665 39.000 0.019 0.000 2.155 151 F HN 0.083 nan 8.300 nan 0.000 0.283 152 K N 2.100 122.586 120.400 0.145 0.000 2.511 152 K HA 0.317 4.637 4.320 -0.000 0.000 0.280 152 K C -0.356 176.270 176.600 0.043 0.000 1.008 152 K CA 1.164 57.513 56.287 0.103 0.000 1.050 152 K CB 0.496 33.033 32.500 0.063 0.000 0.889 152 K HN 0.176 nan 8.250 nan 0.000 0.484 153 T N 6.014 120.563 114.554 -0.007 0.000 2.921 153 T HA 0.439 4.788 4.350 -0.000 0.000 0.297 153 T C -0.958 173.656 174.700 -0.143 0.000 1.013 153 T CA -0.733 61.282 62.100 -0.141 0.000 0.990 153 T CB 0.916 69.695 68.868 -0.148 0.000 1.023 153 T HN 0.541 nan 8.240 nan 0.000 0.447 154 R N 2.219 122.588 120.500 -0.219 0.000 2.422 154 R HA 0.528 4.868 4.340 -0.000 0.000 0.307 154 R C -0.999 175.112 176.300 -0.314 0.000 1.004 154 R CA -0.570 55.400 56.100 -0.217 0.000 0.882 154 R CB 1.521 31.733 30.300 -0.147 0.000 1.164 154 R HN 0.393 nan 8.270 nan 0.000 0.489 155 V N 3.306 123.028 119.914 -0.320 0.000 2.455 155 V HA 0.246 4.366 4.120 -0.000 0.000 0.273 155 V C 0.249 176.157 176.094 -0.309 0.000 1.045 155 V CA -0.013 62.083 62.300 -0.340 0.000 0.976 155 V CB 1.301 32.937 31.823 -0.311 0.000 0.993 155 V HN 0.696 nan 8.190 nan 0.000 0.475 156 T N 5.291 119.661 114.554 -0.307 0.000 2.841 156 T HA 0.473 4.822 4.350 -0.000 0.000 0.283 156 T C -0.106 174.427 174.700 -0.278 0.000 1.000 156 T CA -0.673 61.263 62.100 -0.274 0.000 0.977 156 T CB 1.562 70.289 68.868 -0.236 0.000 0.979 156 T HN 0.706 nan 8.240 nan 0.000 0.446 157 R N 1.768 122.106 120.500 -0.270 0.000 2.490 157 R HA 0.252 4.592 4.340 -0.000 0.000 0.280 157 R C 0.925 177.107 176.300 -0.196 0.000 1.077 157 R CA -0.112 55.832 56.100 -0.260 0.000 1.065 157 R CB 0.442 30.607 30.300 -0.226 0.000 1.003 157 R HN 0.615 nan 8.270 nan 0.000 0.470 158 K N 1.227 121.519 120.400 -0.180 0.000 2.098 158 K HA -0.080 4.239 4.320 -0.000 0.000 0.203 158 K C 2.055 178.594 176.600 -0.101 0.000 1.051 158 K CA 1.384 57.590 56.287 -0.134 0.000 0.957 158 K CB 0.056 32.483 32.500 -0.122 0.000 0.738 158 K HN 0.761 nan 8.250 nan 0.000 0.447 159 S N 2.188 117.834 115.700 -0.091 0.000 2.365 159 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 159 S C 1.329 175.894 174.600 -0.058 0.000 1.039 159 S CA 1.935 60.099 58.200 -0.061 0.000 1.033 159 S CB -0.393 62.781 63.200 -0.044 0.000 0.887 159 S HN 0.436 nan 8.310 nan 0.000 0.447 160 D N -0.904 119.454 120.400 -0.070 0.000 2.563 160 D HA 0.308 4.948 4.640 -0.000 0.000 0.237 160 D C 1.076 177.327 176.300 -0.082 0.000 1.282 160 D CA 0.158 54.119 54.000 -0.064 0.000 0.816 160 D CB -0.452 40.319 40.800 -0.048 0.000 1.066 160 D HN 0.603 nan 8.370 nan 0.000 0.501 161 G N 1.446 110.186 108.800 -0.100 0.000 2.233 161 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.270 161 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.270 161 G C 0.174 174.994 174.900 -0.134 0.000 1.011 161 G CA 0.703 45.736 45.100 -0.112 0.000 0.762 161 G HN 0.675 nan 8.290 nan 0.000 0.511 162 K N 0.326 120.634 120.400 -0.154 0.000 2.227 162 K HA 0.525 4.845 4.320 -0.000 0.000 0.280 162 K C 0.483 176.930 176.600 -0.254 0.000 1.041 162 K CA -0.839 55.334 56.287 -0.190 0.000 0.905 162 K CB 1.103 33.493 32.500 -0.183 0.000 1.068 162 K HN -0.023 nan 8.250 nan 0.000 0.470 163 V N 7.862 127.621 119.914 -0.259 0.000 2.400 163 V HA -0.034 4.086 4.120 -0.000 0.000 0.263 163 V C 1.296 177.138 176.094 -0.420 0.000 1.026 163 V CA 0.341 62.467 62.300 -0.289 0.000 1.077 163 V CB -0.503 31.185 31.823 -0.225 0.000 1.054 163 V HN 0.811 nan 8.190 nan 0.000 0.477 164 I N 2.382 122.685 120.570 -0.444 0.000 3.030 164 I HA 0.272 4.441 4.170 -0.000 0.000 0.270 164 I C 0.702 176.587 176.117 -0.387 0.000 1.211 164 I CA 0.971 61.897 61.300 -0.624 0.000 1.479 164 I CB 0.238 37.945 38.000 -0.488 0.000 1.105 164 I HN 0.514 nan 8.210 nan 0.000 0.447 165 M N 2.183 121.583 119.600 -0.333 0.000 2.413 165 M HA 0.399 4.878 4.480 -0.000 0.000 0.287 165 M C -2.100 174.069 176.300 -0.217 0.000 1.186 165 M CA -0.266 54.863 55.300 -0.286 0.000 0.927 165 M CB 2.586 34.763 32.600 -0.705 0.000 1.715 165 M HN 0.427 nan 8.290 nan 0.000 0.478 166 E N 2.644 122.809 120.200 -0.059 0.000 2.331 166 E HA 0.490 4.840 4.350 -0.000 0.000 0.275 166 E C -1.505 175.096 176.600 0.002 0.000 0.895 166 E CA -0.908 55.467 56.400 -0.042 0.000 0.753 166 E CB 1.688 31.401 29.700 0.022 0.000 1.216 166 E HN 0.703 nan 8.360 nan 0.000 0.434 167 N N 1.418 120.113 118.700 -0.008 0.000 2.364 167 N HA 0.223 4.963 4.740 -0.000 0.000 0.264 167 N C -0.967 174.590 175.510 0.078 0.000 1.263 167 N CA -0.452 52.635 53.050 0.062 0.000 0.959 167 N CB 0.627 39.189 38.487 0.126 0.000 1.204 167 N HN 0.627 nan 8.380 nan 0.000 0.550 168 D N -2.051 118.412 120.400 0.106 0.000 2.181 168 D HA 0.309 4.949 4.640 -0.000 0.000 0.248 168 D C -1.242 175.096 176.300 0.062 0.000 1.020 168 D CA -0.388 53.655 54.000 0.071 0.000 0.891 168 D CB 1.001 41.848 40.800 0.078 0.000 1.187 168 D HN 0.460 nan 8.370 nan 0.000 0.443 169 E N 1.502 121.719 120.200 0.029 0.000 2.210 169 E HA 0.409 4.759 4.350 -0.000 0.000 0.266 169 E C -1.296 175.303 176.600 -0.002 0.000 0.883 169 E CA -1.082 55.328 56.400 0.017 0.000 0.761 169 E CB 2.541 32.241 29.700 0.000 0.000 1.156 169 E HN 0.220 nan 8.360 nan 0.000 0.412 170 V N 2.790 122.700 119.914 -0.007 0.000 2.472 170 V HA 0.637 4.757 4.120 -0.000 0.000 0.290 170 V C 0.160 176.242 176.094 -0.020 0.000 1.037 170 V CA -0.159 62.128 62.300 -0.022 0.000 0.908 170 V CB 1.408 33.209 31.823 -0.036 0.000 0.985 170 V HN 0.737 nan 8.190 nan 0.000 0.454 171 G N 4.010 112.796 108.800 -0.024 0.000 2.476 171 G HA2 0.611 4.571 3.960 -0.000 0.000 0.286 171 G HA3 0.611 4.571 3.960 -0.000 0.000 0.286 171 G C -0.092 174.794 174.900 -0.023 0.000 1.177 171 G CA 0.257 45.343 45.100 -0.022 0.000 0.870 171 G HN 1.066 nan 8.290 nan 0.000 0.528 172 T N -2.782 111.760 114.554 -0.020 0.000 2.910 172 T HA 0.604 4.954 4.350 -0.000 0.000 0.287 172 T C 1.656 176.344 174.700 -0.019 0.000 1.050 172 T CA 0.339 62.426 62.100 -0.021 0.000 1.011 172 T CB 1.415 70.272 68.868 -0.018 0.000 1.195 172 T HN 0.972 nan 8.240 nan 0.000 0.540 173 A N 1.031 123.839 122.820 -0.019 0.000 1.903 173 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 173 A C 1.957 179.532 177.584 -0.014 0.000 1.191 173 A CA 2.845 54.871 52.037 -0.017 0.000 0.638 173 A CB -1.162 17.828 19.000 -0.016 0.000 0.823 173 A HN 1.887 nan 8.150 nan 0.000 0.451 174 S N -4.639 111.054 115.700 -0.013 0.000 2.708 174 S HA 0.140 4.609 4.470 -0.000 0.000 0.214 174 S C 0.662 175.257 174.600 -0.008 0.000 0.820 174 S CA 0.595 58.789 58.200 -0.010 0.000 1.439 174 S CB -0.668 62.526 63.200 -0.009 0.000 1.275 174 S HN 0.253 nan 8.310 nan 0.000 0.588 175 S N 1.465 117.161 115.700 -0.008 0.000 2.535 175 S HA 0.644 5.114 4.470 -0.000 0.000 0.214 175 S C 1.040 175.638 174.600 -0.003 0.000 0.980 175 S CA 0.445 58.643 58.200 -0.003 0.000 0.907 175 S CB 0.445 63.644 63.200 -0.001 0.000 0.790 175 S HN 1.649 nan 8.310 nan 0.000 0.510 176 G N 1.712 110.507 108.800 -0.008 0.000 2.555 176 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.686 176 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.686 176 G C -1.167 173.727 174.900 -0.011 0.000 1.275 176 G CA -1.177 43.917 45.100 -0.010 0.000 0.871 176 G HN 0.370 nan 8.290 nan 0.000 0.603 177 N N 0.913 119.605 118.700 -0.014 0.000 2.520 177 N HA 0.458 5.198 4.740 -0.000 0.000 0.273 177 N C -0.237 175.272 175.510 -0.002 0.000 1.155 177 N CA -0.339 52.703 53.050 -0.013 0.000 0.967 177 N CB 0.724 39.198 38.487 -0.022 0.000 1.092 177 N HN 0.361 nan 8.380 nan 0.000 0.457 178 K N 1.517 121.919 120.400 0.003 0.000 2.235 178 K HA 0.236 4.555 4.320 -0.000 0.000 0.266 178 K C -0.813 175.805 176.600 0.030 0.000 0.980 178 K CA -0.580 55.715 56.287 0.014 0.000 0.849 178 K CB 1.659 34.169 32.500 0.016 0.000 1.098 178 K HN 0.521 nan 8.250 nan 0.000 0.445 179 C N 4.135 123.465 119.300 0.050 0.000 2.619 179 C HA 0.158 4.617 4.460 -0.000 0.000 0.389 179 C C 1.332 176.383 174.990 0.102 0.000 1.314 179 C CA -0.277 58.796 59.018 0.092 0.000 1.678 179 C CB -0.953 26.884 27.740 0.162 0.000 2.398 179 C HN 0.663 nan 8.230 nan 0.000 0.582 180 R N 3.400 123.959 120.500 0.098 0.000 2.335 180 R HA 0.073 4.413 4.340 -0.000 0.000 0.223 180 R C 1.959 178.372 176.300 0.187 0.000 0.940 180 R CA 0.478 56.638 56.100 0.100 0.000 1.086 180 R CB 0.012 30.328 30.300 0.026 0.000 1.073 180 R HN 0.962 nan 8.270 nan 0.000 0.504 181 G N 0.485 109.427 108.800 0.237 0.000 2.534 181 G HA2 -0.053 3.906 3.960 -0.000 0.000 0.217 181 G HA3 -0.053 3.906 3.960 -0.000 0.000 0.217 181 G C 0.548 175.664 174.900 0.359 0.000 1.128 181 G CA 0.305 45.619 45.100 0.356 0.000 0.784 181 G HN 0.117 nan 8.290 nan 0.000 0.542 182 L N 0.466 121.821 121.223 0.219 0.000 2.406 182 L HA 0.615 4.955 4.340 -0.000 0.000 0.270 182 L C -0.709 176.355 176.870 0.324 0.000 0.982 182 L CA -0.294 54.645 54.840 0.165 0.000 0.843 182 L CB 2.003 44.028 42.059 -0.056 0.000 1.225 182 L HN 0.001 nan 8.230 nan 0.000 0.412 183 M N 4.703 124.560 119.600 0.429 0.000 2.421 183 M HA 0.611 5.091 4.480 -0.000 0.000 0.287 183 M C -1.529 175.189 176.300 0.697 0.000 1.183 183 M CA -0.526 55.049 55.300 0.459 0.000 0.916 183 M CB 2.897 35.681 32.600 0.307 0.000 1.701 183 M HN 0.441 nan 8.290 nan 0.000 0.470 184 F N -0.365 119.921 119.950 0.559 0.000 2.672 184 F HA 0.691 5.217 4.527 -0.000 0.000 0.311 184 F C -1.375 174.482 175.800 0.095 0.000 1.113 184 F CA -1.284 56.910 58.000 0.323 0.000 0.996 184 F CB 0.261 39.352 39.000 0.151 0.000 1.286 184 F HN 0.207 nan 8.300 nan 0.000 0.441 185 V N 2.269 122.001 119.914 -0.304 0.000 2.655 185 V HA 0.023 4.142 4.120 -0.000 0.000 0.300 185 V C 0.512 176.626 176.094 0.032 0.000 1.044 185 V CA -0.046 61.905 62.300 -0.581 0.000 1.095 185 V CB 0.445 31.779 31.823 -0.814 0.000 0.952 185 V HN 0.881 nan 8.190 nan 0.000 0.485 186 D N 3.461 123.895 120.400 0.057 0.000 2.662 186 D HA -0.099 4.541 4.640 -0.000 0.000 0.233 186 D C 1.179 177.603 176.300 0.206 0.000 1.129 186 D CA 0.069 54.265 54.000 0.326 0.000 0.851 186 D CB 0.553 41.485 40.800 0.219 0.000 1.152 186 D HN 0.376 nan 8.370 nan 0.000 0.507 187 R N 3.197 123.826 120.500 0.216 0.000 2.293 187 R HA 0.006 4.346 4.340 -0.000 0.000 0.219 187 R C 1.729 177.977 176.300 -0.087 0.000 1.091 187 R CA 0.332 56.451 56.100 0.032 0.000 1.004 187 R CB -0.297 30.007 30.300 0.008 0.000 0.865 187 R HN 0.580 nan 8.270 nan 0.000 0.469 188 L N -1.106 120.013 121.223 -0.173 0.000 2.362 188 L HA -0.141 4.198 4.340 -0.000 0.000 0.219 188 L C 0.751 177.210 176.870 -0.685 0.000 1.134 188 L CA 1.196 55.735 54.840 -0.501 0.000 0.807 188 L CB -0.066 41.519 42.059 -0.790 0.000 0.927 188 L HN 0.261 nan 8.230 nan 0.000 0.447 189 Y N -2.033 118.229 120.300 -0.063 0.000 2.437 189 Y HA 0.435 4.985 4.550 -0.000 0.000 0.266 189 Y C 0.975 176.795 175.900 -0.133 0.000 1.077 189 Y CA -0.047 57.997 58.100 -0.093 0.000 1.235 189 Y CB 0.648 39.037 38.460 -0.119 0.000 1.303 189 Y HN -0.059 nan 8.280 nan 0.000 0.536 190 G N -0.136 108.634 108.800 -0.050 0.000 2.554 190 G HA2 0.321 4.281 3.960 -0.000 0.000 0.306 190 G HA3 0.321 4.281 3.960 -0.000 0.000 0.306 190 G C -0.801 173.972 174.900 -0.212 0.000 1.320 190 G CA -0.697 44.311 45.100 -0.153 0.000 0.800 190 G HN 0.048 nan 8.290 nan 0.000 0.481 191 N N -0.781 117.719 118.700 -0.333 0.000 2.118 191 N HA 0.417 5.157 4.740 -0.000 0.000 0.226 191 N C 0.553 175.872 175.510 -0.318 0.000 1.305 191 N CA 0.021 52.815 53.050 -0.426 0.000 0.890 191 N CB 1.768 39.686 38.487 -0.948 0.000 1.118 191 N HN 0.713 nan 8.380 nan 0.000 0.511 192 A N 1.390 124.085 122.820 -0.209 0.000 2.313 192 A HA 0.691 5.011 4.320 -0.000 0.000 0.261 192 A C 0.058 177.782 177.584 0.233 0.000 1.090 192 A CA -0.269 51.802 52.037 0.056 0.000 0.807 192 A CB 0.119 19.256 19.000 0.227 0.000 1.055 192 A HN 0.323 nan 8.150 nan 0.000 0.492 193 I N -3.620 117.255 120.570 0.507 0.000 2.994 193 I HA 0.908 5.078 4.170 -0.000 0.000 0.306 193 I C -0.459 176.100 176.117 0.738 0.000 1.195 193 I CA -1.017 60.675 61.300 0.653 0.000 1.001 193 I CB 2.200 40.494 38.000 0.491 0.000 1.244 193 I HN 0.953 nan 8.210 nan 0.000 0.437 194 A N 2.218 125.449 122.820 0.685 0.000 2.610 194 A HA 0.840 5.159 4.320 -0.000 0.000 0.291 194 A C -1.309 176.620 177.584 0.574 0.000 1.086 194 A CA -0.536 51.789 52.037 0.480 0.000 0.677 194 A CB 1.797 20.806 19.000 0.016 0.000 1.278 194 A HN 0.829 nan 8.150 nan 0.000 0.414 195 S N -0.262 115.772 115.700 0.557 0.000 2.575 195 S HA 0.651 5.121 4.470 -0.000 0.000 0.278 195 S C -1.496 173.486 174.600 0.637 0.000 1.139 195 S CA -0.350 58.254 58.200 0.672 0.000 0.954 195 S CB 1.315 65.063 63.200 0.912 0.000 1.054 195 S HN 1.327 nan 8.310 nan 0.000 0.483 196 V N 5.098 125.304 119.914 0.487 0.000 2.448 196 V HA 0.607 4.727 4.120 -0.000 0.000 0.295 196 V C -0.333 175.977 176.094 0.361 0.000 1.025 196 V CA -0.997 61.564 62.300 0.434 0.000 0.859 196 V CB 1.769 33.731 31.823 0.231 0.000 0.988 196 V HN 0.810 nan 8.190 nan 0.000 0.431 197 N N 2.396 121.330 118.700 0.390 0.000 2.459 197 N HA 0.475 5.215 4.740 -0.000 0.000 0.288 197 N C -0.426 175.191 175.510 0.179 0.000 1.186 197 N CA -0.774 52.408 53.050 0.221 0.000 0.917 197 N CB 1.691 40.282 38.487 0.175 0.000 1.219 197 N HN 0.566 nan 8.380 nan 0.000 0.525 198 K N 0.888 121.338 120.400 0.084 0.000 2.326 198 K HA 0.161 4.481 4.320 -0.000 0.000 0.275 198 K C -0.259 176.292 176.600 -0.082 0.000 1.018 198 K CA -0.250 55.970 56.287 -0.111 0.000 0.962 198 K CB 0.467 32.796 32.500 -0.284 0.000 0.953 198 K HN 0.368 nan 8.250 nan 0.000 0.475 199 N N 2.369 120.947 118.700 -0.204 0.000 2.354 199 N HA 0.225 4.965 4.740 -0.000 0.000 0.287 199 N C -1.171 174.246 175.510 -0.155 0.000 1.016 199 N CA -0.564 52.538 53.050 0.086 0.000 0.871 199 N CB 0.630 39.209 38.487 0.155 0.000 1.299 199 N HN 0.408 nan 8.380 nan 0.000 0.482 200 F N 2.315 122.399 119.950 0.223 0.000 2.772 200 F HA 0.276 4.803 4.527 -0.001 0.000 0.302 200 F C 1.858 177.728 175.800 0.115 0.000 1.136 200 F CA -0.489 57.597 58.000 0.143 0.000 1.322 200 F CB 0.382 39.462 39.000 0.133 0.000 0.967 200 F HN 0.498 nan 8.300 nan 0.000 0.513 201 R N -0.529 120.128 120.500 0.261 0.000 2.170 201 R HA -0.151 4.189 4.340 -0.000 0.000 0.242 201 R C 0.951 177.324 176.300 0.122 0.000 1.145 201 R CA 1.719 57.929 56.100 0.185 0.000 0.984 201 R CB -0.453 29.971 30.300 0.207 0.000 0.869 201 R HN 0.130 nan 8.270 nan 0.000 0.455 202 N N 0.712 119.482 118.700 0.117 0.000 2.325 202 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 202 N C -0.388 175.181 175.510 0.098 0.000 1.088 202 N CA 0.262 53.361 53.050 0.082 0.000 0.879 202 N CB -0.047 38.473 38.487 0.054 0.000 0.983 202 N HN 0.293 nan 8.380 nan 0.000 0.471 203 D N 0.588 121.082 120.400 0.157 0.000 2.458 203 D HA 0.039 4.679 4.640 -0.000 0.000 0.243 203 D C 0.960 177.320 176.300 0.099 0.000 1.146 203 D CA -0.018 54.078 54.000 0.159 0.000 0.877 203 D CB 1.380 42.334 40.800 0.258 0.000 1.176 203 D HN 0.135 nan 8.370 nan 0.000 0.461 204 A N 3.771 126.633 122.820 0.070 0.000 1.902 204 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 204 A C 2.233 179.837 177.584 0.034 0.000 1.181 204 A CA 1.270 53.333 52.037 0.043 0.000 0.623 204 A CB -0.320 18.700 19.000 0.033 0.000 0.818 204 A HN 0.526 nan 8.150 nan 0.000 0.443 205 V N -0.322 119.614 119.914 0.036 0.000 2.331 205 V HA -0.160 3.959 4.120 -0.000 0.000 0.242 205 V C 2.391 178.502 176.094 0.029 0.000 1.034 205 V CA 2.044 64.359 62.300 0.025 0.000 1.027 205 V CB -0.633 31.201 31.823 0.019 0.000 0.667 205 V HN 0.493 nan 8.190 nan 0.000 0.457 206 K N -0.294 120.135 120.400 0.048 0.000 2.009 206 K HA -0.163 4.156 4.320 -0.000 0.000 0.210 206 K C 0.772 177.391 176.600 0.031 0.000 1.049 206 K CA 1.065 57.387 56.287 0.059 0.000 0.929 206 K CB -0.211 32.342 32.500 0.089 0.000 0.714 206 K HN 0.396 nan 8.250 nan 0.000 0.440 207 Q N 1.146 120.979 119.800 0.056 0.000 2.431 207 Q HA -0.195 4.145 4.340 -0.000 0.000 0.344 207 Q C -1.219 174.783 176.000 0.004 0.000 1.384 207 Q CA 0.302 56.126 55.803 0.035 0.000 0.984 207 Q CB -1.265 27.476 28.738 0.004 0.000 1.204 207 Q HN 0.341 nan 8.270 nan 0.000 0.392 208 E N -0.396 119.824 120.200 0.033 0.000 2.465 208 E HA 0.161 4.511 4.350 -0.000 0.000 0.260 208 E C 0.602 177.129 176.600 -0.122 0.000 0.980 208 E CA 0.687 57.039 56.400 -0.080 0.000 0.927 208 E CB 0.582 30.270 29.700 -0.020 0.000 0.934 208 E HN 0.418 nan 8.360 nan 0.000 0.459 209 G N 2.495 111.170 108.800 -0.208 0.000 2.482 209 G HA2 0.542 4.502 3.960 -0.000 0.000 0.317 209 G HA3 0.542 4.502 3.960 -0.000 0.000 0.317 209 G C -1.221 173.498 174.900 -0.302 0.000 1.241 209 G CA -0.661 44.344 45.100 -0.157 0.000 0.967 209 G HN 0.307 nan 8.290 nan 0.000 0.482 210 F N 0.132 119.998 119.950 -0.140 0.000 2.450 210 F HA 0.657 5.183 4.527 -0.001 0.000 0.332 210 F C -0.160 175.491 175.800 -0.249 0.000 1.093 210 F CA -0.430 57.514 58.000 -0.092 0.000 1.003 210 F CB 1.917 40.860 39.000 -0.095 0.000 1.151 210 F HN 0.353 nan 8.300 nan 0.000 0.474 211 Y N -0.218 120.081 120.300 -0.003 0.000 2.638 211 Y HA 0.727 5.277 4.550 -0.001 0.000 0.339 211 Y C 0.678 176.526 175.900 -0.087 0.000 1.084 211 Y CA -0.541 57.534 58.100 -0.042 0.000 1.068 211 Y CB 1.981 40.400 38.460 -0.069 0.000 1.294 211 Y HN 0.835 nan 8.280 nan 0.000 0.480 212 G N 0.410 109.296 108.800 0.142 0.000 2.513 212 G HA2 0.212 4.172 3.960 -0.000 0.000 0.227 212 G HA3 0.212 4.172 3.960 -0.000 0.000 0.227 212 G C 0.044 175.012 174.900 0.115 0.000 1.176 212 G CA -0.125 45.044 45.100 0.114 0.000 0.967 212 G HN 2.020 nan 8.290 nan 0.000 0.587 213 A N -0.742 122.177 122.820 0.165 0.000 2.667 213 A HA 0.481 4.801 4.320 -0.000 0.000 0.298 213 A C 2.067 179.729 177.584 0.131 0.000 1.483 213 A CA 1.582 53.709 52.037 0.151 0.000 0.738 213 A CB -1.737 17.305 19.000 0.069 0.000 1.067 213 A HN 3.290 nan 8.150 nan 0.000 0.451 214 G N -0.346 108.535 108.800 0.135 0.000 2.556 214 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.283 214 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.283 214 G C 0.163 175.078 174.900 0.026 0.000 1.177 214 G CA 0.793 45.935 45.100 0.070 0.000 0.978 214 G HN 1.578 nan 8.290 nan 0.000 0.554 215 E N -0.177 120.039 120.200 0.027 0.000 2.496 215 E HA 0.454 4.803 4.350 -0.000 0.000 0.202 215 E C 0.354 176.933 176.600 -0.035 0.000 1.021 215 E CA -0.380 56.007 56.400 -0.021 0.000 1.015 215 E CB 0.988 30.663 29.700 -0.041 0.000 1.102 215 E HN 0.402 nan 8.360 nan 0.000 0.452 216 V N 2.936 122.858 119.914 0.014 0.000 2.673 216 V HA -0.054 4.066 4.120 -0.000 0.000 0.303 216 V C 0.465 176.578 176.094 0.032 0.000 1.046 216 V CA -0.114 62.201 62.300 0.026 0.000 1.126 216 V CB 0.220 32.081 31.823 0.063 0.000 0.934 216 V HN 0.384 nan 8.190 nan 0.000 0.487 217 N N 3.005 121.730 118.700 0.042 0.000 2.487 217 N HA 0.478 5.218 4.740 -0.000 0.000 0.292 217 N C -0.859 174.791 175.510 0.233 0.000 1.108 217 N CA -0.397 52.726 53.050 0.122 0.000 0.956 217 N CB 2.025 40.560 38.487 0.080 0.000 1.176 217 N HN 0.647 nan 8.380 nan 0.000 0.484 218 C N 1.254 120.739 119.300 0.309 0.000 2.481 218 C HA 0.330 4.789 4.460 -0.000 0.000 0.324 218 C C -0.340 174.767 174.990 0.196 0.000 1.170 218 C CA -0.812 58.374 59.018 0.281 0.000 1.361 218 C CB 0.543 28.394 27.740 0.186 0.000 1.977 218 C HN 0.718 nan 8.230 nan 0.000 0.459 219 K N 3.720 124.128 120.400 0.013 0.000 2.183 219 K HA 0.445 4.764 4.320 -0.000 0.000 0.274 219 K C -1.753 174.838 176.600 -0.014 0.000 1.009 219 K CA -0.355 55.723 56.287 -0.348 0.000 0.888 219 K CB 1.047 33.248 32.500 -0.498 0.000 1.078 219 K HN 0.764 nan 8.250 nan 0.000 0.459 220 Y N 5.053 125.272 120.300 -0.134 0.000 2.332 220 Y HA 0.097 4.647 4.550 -0.001 0.000 0.326 220 Y C 0.250 176.138 175.900 -0.020 0.000 0.978 220 Y CA 0.014 58.091 58.100 -0.039 0.000 1.205 220 Y CB 0.601 39.053 38.460 -0.012 0.000 1.131 220 Y HN 0.989 nan 8.280 nan 0.000 0.462 221 Q N 1.767 121.250 119.800 -0.527 0.000 2.075 221 Q HA -0.357 3.983 4.340 -0.000 0.000 0.379 221 Q C 0.143 176.066 176.000 -0.129 0.000 0.742 221 Q CA 2.160 57.742 55.803 -0.369 0.000 0.973 221 Q CB -0.973 27.478 28.738 -0.479 0.000 2.260 221 Q HN 0.741 nan 8.270 nan 0.000 0.824 222 D N -0.078 120.309 120.400 -0.021 0.000 2.355 222 D HA 0.111 4.751 4.640 -0.000 0.000 0.206 222 D C 0.148 176.598 176.300 0.251 0.000 1.010 222 D CA 0.832 54.909 54.000 0.128 0.000 0.875 222 D CB 0.484 41.367 40.800 0.139 0.000 0.966 222 D HN 0.159 nan 8.370 nan 0.000 0.512 223 T N 0.600 115.267 114.554 0.189 0.000 2.807 223 T HA 0.295 4.644 4.350 -0.000 0.000 0.279 223 T C -0.508 174.226 174.700 0.058 0.000 0.993 223 T CA -0.523 61.725 62.100 0.247 0.000 0.970 223 T CB 1.224 70.329 68.868 0.395 0.000 0.950 223 T HN -0.152 nan 8.240 nan 0.000 0.441 224 Y N 3.415 123.768 120.300 0.088 0.000 2.377 224 Y HA 0.431 4.981 4.550 -0.000 0.000 0.330 224 Y C 0.915 176.858 175.900 0.073 0.000 1.108 224 Y CA -0.575 57.566 58.100 0.069 0.000 1.308 224 Y CB 0.223 38.689 38.460 0.010 0.000 1.216 224 Y HN 0.545 nan 8.280 nan 0.000 0.518 225 I N 0.173 120.858 120.570 0.192 0.000 3.436 225 I HA 0.471 4.641 4.170 -0.000 0.000 0.296 225 I C -0.024 176.150 176.117 0.095 0.000 1.143 225 I CA -0.975 60.396 61.300 0.118 0.000 1.009 225 I CB 1.429 39.463 38.000 0.056 0.000 1.301 225 I HN 0.532 nan 8.210 nan 0.000 0.503 226 L N 0.477 121.731 121.223 0.051 0.000 2.445 226 L HA 0.412 4.751 4.340 -0.000 0.000 0.207 226 L C 1.091 177.927 176.870 -0.057 0.000 1.053 226 L CA 0.862 55.731 54.840 0.049 0.000 0.841 226 L CB -0.050 42.075 42.059 0.110 0.000 1.074 226 L HN 0.721 nan 8.230 nan 0.000 0.479 227 E N 0.425 120.512 120.200 -0.189 0.000 2.422 227 E HA 0.058 4.408 4.350 -0.000 0.000 0.260 227 E C -0.360 176.087 176.600 -0.256 0.000 1.108 227 E CA -0.134 55.997 56.400 -0.448 0.000 0.943 227 E CB 0.451 29.870 29.700 -0.468 0.000 0.961 227 E HN 0.116 nan 8.360 nan 0.000 0.443 228 R N 2.333 122.679 120.500 -0.257 0.000 2.782 228 R HA 0.230 4.570 4.340 -0.000 0.000 0.293 228 R C -1.119 175.108 176.300 -0.121 0.000 1.333 228 R CA -0.248 55.767 56.100 -0.141 0.000 1.479 228 R CB 0.874 31.124 30.300 -0.084 0.000 1.306 228 R HN 0.332 nan 8.270 nan 0.000 0.654 229 T N -0.812 113.672 114.554 -0.118 0.000 2.823 229 T HA 0.468 4.818 4.350 -0.000 0.000 0.279 229 T C 0.792 175.413 174.700 -0.132 0.000 0.998 229 T CA -0.007 62.070 62.100 -0.038 0.000 0.994 229 T CB 1.948 70.849 68.868 0.056 0.000 0.960 229 T HN 0.588 nan 8.240 nan 0.000 0.448 230 G N 2.616 111.325 108.800 -0.152 0.000 2.246 230 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.273 230 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.273 230 G C -0.028 174.725 174.900 -0.245 0.000 1.055 230 G CA 0.484 45.493 45.100 -0.153 0.000 0.851 230 G HN 1.045 nan 8.290 nan 0.000 0.500 231 I N -3.561 116.831 120.570 -0.297 0.000 2.769 231 I HA 0.884 5.053 4.170 -0.000 0.000 0.298 231 I C -0.033 176.018 176.117 -0.110 0.000 1.128 231 I CA -1.352 59.703 61.300 -0.410 0.000 1.031 231 I CB 2.273 39.822 38.000 -0.752 0.000 1.235 231 I HN 0.499 nan 8.210 nan 0.000 0.423 232 A N 6.759 129.714 122.820 0.225 0.000 2.260 232 A HA 0.865 5.185 4.320 -0.000 0.000 0.308 232 A C -0.431 177.364 177.584 0.352 0.000 1.254 232 A CA -0.491 51.710 52.037 0.274 0.000 0.874 232 A CB 0.683 19.932 19.000 0.416 0.000 1.153 232 A HN 0.822 nan 8.150 nan 0.000 0.527 233 M N 1.218 120.918 119.600 0.167 0.000 2.644 233 M HA 0.545 5.025 4.480 -0.000 0.000 0.304 233 M C -0.111 176.250 176.300 0.102 0.000 1.215 233 M CA -0.385 55.003 55.300 0.147 0.000 0.871 233 M CB 2.740 35.390 32.600 0.083 0.000 1.740 233 M HN 0.672 nan 8.290 nan 0.000 0.464 234 T N 0.193 114.773 114.554 0.043 0.000 2.887 234 T HA 0.544 4.893 4.350 -0.000 0.000 0.292 234 T C -1.512 173.129 174.700 -0.099 0.000 1.087 234 T CA -0.771 61.279 62.100 -0.083 0.000 1.009 234 T CB 1.161 69.985 68.868 -0.072 0.000 1.203 234 T HN 0.657 nan 8.240 nan 0.000 0.518 235 N N 2.517 121.104 118.700 -0.188 0.000 2.573 235 N HA 0.291 5.031 4.740 -0.000 0.000 0.262 235 N C -1.942 173.554 175.510 -0.022 0.000 1.029 235 N CA -0.267 52.739 53.050 -0.072 0.000 0.882 235 N CB 1.204 39.661 38.487 -0.050 0.000 1.204 235 N HN 0.564 nan 8.380 nan 0.000 0.519 236 Y N 1.985 122.189 120.300 -0.160 0.000 2.535 236 Y HA 0.267 4.816 4.550 -0.000 0.000 0.351 236 Y C -0.479 175.373 175.900 -0.080 0.000 1.050 236 Y CA -0.939 57.059 58.100 -0.170 0.000 1.168 236 Y CB 0.014 38.294 38.460 -0.301 0.000 1.116 236 Y HN 0.259 nan 8.280 nan 0.000 0.654 237 N N 3.020 121.622 118.700 -0.163 0.000 2.182 237 N HA -0.135 4.604 4.740 -0.000 0.000 0.283 237 N C -1.132 174.355 175.510 -0.039 0.000 1.380 237 N CA 1.087 54.084 53.050 -0.089 0.000 0.874 237 N CB -0.258 38.174 38.487 -0.093 0.000 1.190 237 N HN 0.472 nan 8.380 nan 0.000 0.494 238 Y N 0.327 120.501 120.300 -0.210 0.000 2.509 238 Y HA 0.178 4.728 4.550 -0.000 0.000 0.341 238 Y C 0.336 176.152 175.900 -0.141 0.000 1.038 238 Y CA -1.577 56.415 58.100 -0.179 0.000 1.089 238 Y CB 1.371 39.739 38.460 -0.153 0.000 1.241 238 Y HN 0.356 nan 8.280 nan 0.000 0.468 239 D N 2.140 122.323 120.400 -0.361 0.000 2.885 239 D HA -0.034 4.606 4.640 -0.000 0.000 0.234 239 D C -0.495 175.822 176.300 0.029 0.000 1.129 239 D CA 0.221 54.164 54.000 -0.095 0.000 0.991 239 D CB -0.924 39.761 40.800 -0.192 0.000 1.137 239 D HN 0.358 nan 8.370 nan 0.000 0.459 240 N N 2.113 120.801 118.700 -0.021 0.000 3.124 240 N HA 0.053 4.793 4.740 -0.000 0.000 0.284 240 N C -0.576 175.074 175.510 0.232 0.000 1.209 240 N CA -0.400 52.721 53.050 0.117 0.000 1.149 240 N CB -0.306 38.166 38.487 -0.026 0.000 1.434 240 N HN 0.402 nan 8.380 nan 0.000 0.529 241 L N 2.519 123.903 121.223 0.267 0.000 2.462 241 L HA 0.091 4.430 4.340 -0.000 0.000 0.272 241 L C 0.495 177.486 176.870 0.202 0.000 1.166 241 L CA 0.498 55.497 54.840 0.265 0.000 0.880 241 L CB -0.111 42.081 42.059 0.222 0.000 1.142 241 L HN 0.745 nan 8.230 nan 0.000 0.473 242 N N 2.882 121.622 118.700 0.066 0.000 2.948 242 N HA -0.259 4.480 4.740 -0.000 0.000 0.239 242 N C -0.568 175.003 175.510 0.102 0.000 0.954 242 N CA 0.728 53.723 53.050 -0.091 0.000 0.941 242 N CB -0.598 37.941 38.487 0.086 0.000 1.101 242 N HN 0.795 nan 8.380 nan 0.000 0.579 243 Y N -2.526 117.927 120.300 0.255 0.000 4.881 243 Y HA -0.272 4.278 4.550 -0.001 0.000 0.241 243 Y C 0.706 176.710 175.900 0.173 0.000 0.985 243 Y CA 1.315 59.538 58.100 0.204 0.000 1.976 243 Y CB -2.599 36.020 38.460 0.266 0.000 1.528 243 Y HN 0.671 nan 8.280 nan 0.000 0.581 244 N N -1.868 117.029 118.700 0.328 0.000 2.471 244 N HA 0.071 4.810 4.740 -0.000 0.000 0.270 244 N C -0.471 175.215 175.510 0.293 0.000 1.490 244 N CA -0.269 52.947 53.050 0.278 0.000 0.850 244 N CB 0.157 38.819 38.487 0.290 0.000 1.411 244 N HN 0.070 nan 8.380 nan 0.000 0.488 245 Q N 0.392 120.369 119.800 0.294 0.000 2.304 245 Q HA -0.137 4.202 4.340 -0.000 0.000 0.315 245 Q C 0.842 177.064 176.000 0.370 0.000 1.075 245 Q CA 0.228 56.234 55.803 0.337 0.000 0.988 245 Q CB 0.879 29.839 28.738 0.370 0.000 1.146 245 Q HN 0.551 nan 8.270 nan 0.000 0.383 246 W N 4.189 125.590 121.300 0.169 0.000 2.338 246 W HA -0.213 4.447 4.660 -0.000 0.000 0.304 246 W C 1.026 177.626 176.519 0.135 0.000 1.212 246 W CA 1.691 59.119 57.345 0.138 0.000 1.264 246 W CB 0.234 29.769 29.460 0.125 0.000 1.142 246 W HN 0.749 nan 8.180 nan 0.000 0.512 247 D N 0.510 121.063 120.400 0.255 0.000 2.384 247 D HA -0.166 4.474 4.640 -0.000 0.000 0.222 247 D C 1.357 177.759 176.300 0.171 0.000 0.976 247 D CA 0.838 54.913 54.000 0.124 0.000 0.915 247 D CB -0.914 40.002 40.800 0.193 0.000 0.896 247 D HN 0.285 nan 8.370 nan 0.000 0.523 248 L N 0.739 122.058 121.223 0.160 0.000 2.928 248 L HA 0.229 4.568 4.340 -0.000 0.000 0.246 248 L C 0.763 177.732 176.870 0.166 0.000 1.239 248 L CA -0.631 54.326 54.840 0.194 0.000 1.035 248 L CB -0.049 42.058 42.059 0.079 0.000 1.360 248 L HN -0.062 nan 8.230 nan 0.000 0.529 249 R N -0.204 120.251 120.500 -0.074 0.000 2.500 249 R HA 0.537 4.877 4.340 -0.000 0.000 0.275 249 R C -2.675 173.378 176.300 -0.413 0.000 1.051 249 R CA -1.821 54.116 56.100 -0.272 0.000 1.088 249 R CB -0.144 29.791 30.300 -0.607 0.000 1.063 249 R HN -0.187 nan 8.270 nan 0.000 0.511 250 P HA 0.141 nan 4.420 nan 0.000 0.268 250 P C -2.430 174.401 177.300 -0.782 0.000 1.205 250 P CA -1.208 61.189 63.100 -1.171 0.000 0.771 250 P CB 0.014 31.270 31.700 -0.741 0.000 0.858 251 P HA -0.123 nan 4.420 nan 0.000 0.259 251 P C -0.409 176.734 177.300 -0.262 0.000 1.155 251 P CA 0.954 63.709 63.100 -0.575 0.000 0.759 251 P CB -0.529 30.882 31.700 -0.482 0.000 0.753 252 H N -1.815 117.144 119.070 -0.185 0.000 2.839 252 H HA -0.239 4.317 4.556 -0.000 0.000 0.298 252 H C 0.312 175.591 175.328 -0.080 0.000 1.224 252 H CA 0.529 56.514 56.048 -0.105 0.000 1.144 252 H CB -2.409 27.306 29.762 -0.078 0.000 1.372 252 H HN 0.624 nan 8.280 nan 0.000 0.408 253 H N 0.837 119.827 119.070 -0.133 0.000 2.646 253 H HA 0.334 4.889 4.556 -0.001 0.000 0.325 253 H C -0.332 174.991 175.328 -0.009 0.000 1.075 253 H CA -0.426 55.564 56.048 -0.097 0.000 1.421 253 H CB 0.796 30.446 29.762 -0.186 0.000 1.461 253 H HN 0.245 nan 8.280 nan 0.000 0.525 254 D N 3.535 123.634 120.400 -0.503 0.000 2.391 254 D HA 0.468 5.108 4.640 -0.000 0.000 0.245 254 D C 0.276 176.472 176.300 -0.174 0.000 1.069 254 D CA 0.856 54.751 54.000 -0.174 0.000 0.831 254 D CB 1.634 42.402 40.800 -0.053 0.000 1.204 254 D HN 1.041 nan 8.370 nan 0.000 0.503 255 G N 0.971 109.873 108.800 0.170 0.000 2.631 255 G HA2 0.270 4.229 3.960 -0.000 0.000 0.504 255 G HA3 0.270 4.229 3.960 -0.000 0.000 0.504 255 G C -0.125 175.065 174.900 0.483 0.000 1.306 255 G CA -0.453 44.784 45.100 0.228 0.000 0.897 255 G HN 0.704 nan 8.290 nan 0.000 0.520 256 A N -0.923 122.114 122.820 0.362 0.000 2.520 256 A HA 0.532 4.852 4.320 -0.000 0.000 0.235 256 A C 0.317 178.258 177.584 0.596 0.000 1.065 256 A CA 1.222 53.508 52.037 0.415 0.000 0.764 256 A CB 0.684 19.838 19.000 0.257 0.000 1.002 256 A HN 2.278 nan 8.150 nan 0.000 0.502 257 L N 2.423 123.960 121.223 0.524 0.000 2.305 257 L HA 0.477 4.816 4.340 -0.000 0.000 0.284 257 L C -0.656 176.379 176.870 0.274 0.000 1.013 257 L CA -0.529 54.492 54.840 0.303 0.000 0.819 257 L CB 1.241 43.399 42.059 0.166 0.000 1.227 257 L HN 0.680 nan 8.230 nan 0.000 0.417 258 N N 4.951 123.796 118.700 0.242 0.000 2.493 258 N HA 0.457 5.196 4.740 -0.000 0.000 0.275 258 N C -2.601 173.039 175.510 0.215 0.000 1.186 258 N CA -1.801 51.396 53.050 0.245 0.000 0.978 258 N CB 0.388 39.023 38.487 0.246 0.000 1.184 258 N HN 0.427 nan 8.380 nan 0.000 0.487 259 P HA 0.138 nan 4.420 nan 0.000 0.265 259 P C -0.454 176.982 177.300 0.227 0.000 1.193 259 P CA 0.602 63.842 63.100 0.232 0.000 0.765 259 P CB 0.572 32.417 31.700 0.241 0.000 0.823 260 D N 0.627 121.029 120.400 0.002 0.000 2.851 260 D HA 0.085 4.724 4.640 -0.000 0.000 0.339 260 D C 0.123 176.243 176.300 -0.300 0.000 1.347 260 D CA -0.392 53.538 54.000 -0.118 0.000 0.888 260 D CB 0.165 40.785 40.800 -0.299 0.000 1.431 260 D HN 0.298 nan 8.370 nan 0.000 0.509 261 Y N -0.036 120.123 120.300 -0.235 0.000 2.519 261 Y HA 0.096 4.646 4.550 -0.000 0.000 0.287 261 Y C 1.308 177.198 175.900 -0.018 0.000 1.128 261 Y CA 0.719 58.779 58.100 -0.067 0.000 1.282 261 Y CB -0.786 37.700 38.460 0.044 0.000 1.027 261 Y HN 0.326 nan 8.280 nan 0.000 0.551 262 Y N 0.333 120.476 120.300 -0.263 0.000 2.462 262 Y HA 0.479 5.028 4.550 -0.001 0.000 0.293 262 Y C -0.230 175.682 175.900 0.022 0.000 1.195 262 Y CA -1.871 56.205 58.100 -0.041 0.000 1.276 262 Y CB -0.898 37.552 38.460 -0.018 0.000 1.082 262 Y HN -0.001 nan 8.280 nan 0.000 0.514 263 I N 4.342 124.860 120.570 -0.086 0.000 2.412 263 I HA 0.361 4.531 4.170 -0.000 0.000 0.296 263 I C -2.351 173.765 176.117 -0.000 0.000 0.987 263 I CA -2.451 58.860 61.300 0.017 0.000 1.180 263 I CB 1.970 39.961 38.000 -0.015 0.000 1.340 263 I HN -0.124 nan 8.210 nan 0.000 0.455 264 P HA 0.322 nan 4.420 nan 0.000 0.276 264 P C -0.836 176.418 177.300 -0.076 0.000 1.244 264 P CA -0.358 62.719 63.100 -0.039 0.000 0.801 264 P CB 1.461 33.119 31.700 -0.070 0.000 1.006 265 M N 0.620 120.169 119.600 -0.085 0.000 2.424 265 M HA 0.252 4.732 4.480 -0.000 0.000 0.243 265 M C 1.435 177.617 176.300 -0.198 0.000 0.874 265 M CA -0.394 54.786 55.300 -0.201 0.000 1.442 265 M CB -0.460 32.074 32.600 -0.109 0.000 1.345 265 M HN 0.243 nan 8.290 nan 0.000 0.767 266 Y N -1.250 119.069 120.300 0.032 0.000 2.397 266 Y HA 0.043 4.593 4.550 -0.000 0.000 0.292 266 Y C 0.583 176.503 175.900 0.034 0.000 1.115 266 Y CA 0.605 58.709 58.100 0.006 0.000 1.208 266 Y CB 0.009 38.430 38.460 -0.065 0.000 1.046 266 Y HN 0.355 nan 8.280 nan 0.000 0.552 267 Y N 0.817 121.181 120.300 0.106 0.000 2.331 267 Y HA 0.631 5.180 4.550 -0.001 0.000 0.338 267 Y C -0.240 175.705 175.900 0.076 0.000 0.976 267 Y CA -1.828 56.317 58.100 0.074 0.000 1.137 267 Y CB 0.711 39.199 38.460 0.047 0.000 1.172 267 Y HN -0.066 nan 8.280 nan 0.000 0.478 268 A N 5.094 127.884 122.820 -0.050 0.000 2.437 268 A HA 0.624 4.944 4.320 -0.000 0.000 0.303 268 A C -0.255 177.458 177.584 0.215 0.000 1.324 268 A CA 0.077 52.181 52.037 0.113 0.000 0.983 268 A CB -0.710 18.369 19.000 0.133 0.000 1.142 268 A HN 0.913 nan 8.150 nan 0.000 0.541 269 A N 5.297 128.285 122.820 0.280 0.000 2.938 269 A HA 0.632 4.952 4.320 -0.000 0.000 0.344 269 A C -2.641 175.109 177.584 0.278 0.000 1.142 269 A CA -1.392 50.828 52.037 0.304 0.000 0.841 269 A CB 0.379 19.586 19.000 0.345 0.000 1.083 269 A HN 0.526 nan 8.150 nan 0.000 0.479 270 P HA 0.071 nan 4.420 nan 0.000 0.256 270 P C -0.704 176.819 177.300 0.372 0.000 1.688 270 P CA 0.462 63.689 63.100 0.212 0.000 1.162 270 P CB -0.540 31.248 31.700 0.148 0.000 1.870 271 W N 5.840 127.165 121.300 0.041 0.000 3.216 271 W HA 0.380 5.040 4.660 -0.000 0.000 0.335 271 W C -2.517 173.998 176.519 -0.005 0.000 1.077 271 W CA -0.844 56.508 57.345 0.012 0.000 1.252 271 W CB 1.296 30.723 29.460 -0.056 0.000 1.312 271 W HN -0.065 nan 8.180 nan 0.000 0.446 272 L N 6.984 127.938 121.223 -0.448 0.000 2.346 272 L HA 0.548 4.888 4.340 -0.000 0.000 0.276 272 L C -0.024 176.394 176.870 -0.752 0.000 1.006 272 L CA -1.132 53.457 54.840 -0.420 0.000 0.817 272 L CB 2.284 44.331 42.059 -0.021 0.000 1.272 272 L HN 0.292 nan 8.230 nan 0.000 0.421 273 I N 3.407 123.622 120.570 -0.592 0.000 2.328 273 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 273 I C -0.182 175.758 176.117 -0.294 0.000 1.012 273 I CA -0.788 60.219 61.300 -0.488 0.000 1.195 273 I CB 1.661 39.430 38.000 -0.385 0.000 1.350 273 I HN 0.193 nan 8.210 nan 0.000 0.464 274 V N 5.544 125.159 119.914 -0.497 0.000 2.583 274 V HA 0.165 4.284 4.120 -0.000 0.000 0.287 274 V C 0.123 175.910 176.094 -0.512 0.000 1.051 274 V CA -0.194 61.711 62.300 -0.658 0.000 1.010 274 V CB 1.137 32.314 31.823 -1.077 0.000 0.988 274 V HN 0.669 nan 8.190 nan 0.000 0.478 275 N N 3.169 121.608 118.700 -0.435 0.000 2.617 275 N HA 0.525 5.265 4.740 -0.000 0.000 0.263 275 N C -0.109 175.117 175.510 -0.473 0.000 1.074 275 N CA -0.025 52.771 53.050 -0.423 0.000 0.841 275 N CB 1.491 39.786 38.487 -0.321 0.000 1.221 275 N HN 0.832 nan 8.380 nan 0.000 0.529 276 G N 0.319 108.613 108.800 -0.843 0.000 2.461 276 G HA2 0.396 4.356 3.960 -0.000 0.000 0.329 276 G HA3 0.396 4.356 3.960 -0.000 0.000 0.329 276 G C 0.150 174.651 174.900 -0.665 0.000 1.170 276 G CA -0.435 44.218 45.100 -0.745 0.000 0.935 276 G HN 0.722 nan 8.290 nan 0.000 0.492 277 C N -0.297 118.867 119.300 -0.226 0.000 4.028 277 C HA -0.086 4.374 4.460 -0.000 0.000 0.300 277 C C 1.591 176.509 174.990 -0.120 0.000 1.399 277 C CA -0.448 58.517 59.018 -0.089 0.000 2.051 277 C CB -2.820 24.948 27.740 0.046 0.000 1.318 277 C HN 1.308 nan 8.230 nan 0.000 0.696 278 A N -0.050 122.687 122.820 -0.137 0.000 2.566 278 A HA 0.423 4.743 4.320 -0.000 0.000 0.245 278 A C 1.546 179.089 177.584 -0.069 0.000 1.056 278 A CA 1.360 53.328 52.037 -0.115 0.000 0.757 278 A CB -0.146 18.796 19.000 -0.096 0.000 0.979 278 A HN 2.487 nan 8.150 nan 0.000 0.508 279 G N 1.688 110.453 108.800 -0.058 0.000 2.141 279 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.242 279 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.242 279 G C 0.441 175.330 174.900 -0.018 0.000 0.982 279 G CA 1.100 46.184 45.100 -0.027 0.000 0.662 279 G HN 2.322 nan 8.290 nan 0.000 0.527 280 T N -3.198 111.343 114.554 -0.022 0.000 2.888 280 T HA 0.721 5.071 4.350 -0.000 0.000 0.288 280 T C 1.696 176.395 174.700 -0.003 0.000 1.063 280 T CA 0.760 62.855 62.100 -0.009 0.000 1.010 280 T CB 1.335 70.200 68.868 -0.005 0.000 1.214 280 T HN 1.239 nan 8.240 nan 0.000 0.533 281 S N 0.015 115.716 115.700 0.002 0.000 2.420 281 S HA -0.188 4.282 4.470 -0.000 0.000 0.237 281 S C 1.231 175.845 174.600 0.023 0.000 1.023 281 S CA 1.517 59.721 58.200 0.006 0.000 0.991 281 S CB -0.907 62.294 63.200 0.002 0.000 0.792 281 S HN 0.931 nan 8.310 nan 0.000 0.488 282 E N 0.420 120.640 120.200 0.034 0.000 2.451 282 E HA 0.222 4.572 4.350 -0.000 0.000 0.194 282 E C 0.478 177.160 176.600 0.137 0.000 1.027 282 E CA -0.561 55.882 56.400 0.071 0.000 0.914 282 E CB -0.156 29.578 29.700 0.056 0.000 1.054 282 E HN 0.641 nan 8.360 nan 0.000 0.461 283 Q N 1.370 121.212 119.800 0.070 0.000 2.395 283 Q HA 0.034 4.374 4.340 -0.000 0.000 0.271 283 Q C -1.215 174.863 176.000 0.130 0.000 1.026 283 Q CA 0.125 55.938 55.803 0.016 0.000 0.900 283 Q CB 0.366 29.068 28.738 -0.060 0.000 1.266 283 Q HN 0.403 nan 8.270 nan 0.000 0.430 284 Y N -0.962 119.346 120.300 0.013 0.000 2.479 284 Y HA 0.640 5.189 4.550 -0.001 0.000 0.338 284 Y C -1.501 174.400 175.900 0.001 0.000 1.055 284 Y CA -1.024 57.127 58.100 0.086 0.000 1.023 284 Y CB 1.316 39.885 38.460 0.180 0.000 1.287 284 Y HN 0.378 nan 8.280 nan 0.000 0.447 285 S N 3.004 118.698 115.700 -0.009 0.000 2.526 285 S HA 0.720 5.189 4.470 -0.000 0.000 0.293 285 S C -1.749 172.841 174.600 -0.017 0.000 1.092 285 S CA -0.852 57.257 58.200 -0.152 0.000 0.980 285 S CB 1.384 64.429 63.200 -0.258 0.000 1.048 285 S HN 0.841 nan 8.310 nan 0.000 0.483 286 Y N -0.949 119.358 120.300 0.011 0.000 2.513 286 Y HA 0.837 5.387 4.550 -0.001 0.000 0.340 286 Y C -0.289 175.647 175.900 0.059 0.000 1.055 286 Y CA -1.164 56.999 58.100 0.105 0.000 1.020 286 Y CB 0.604 39.219 38.460 0.258 0.000 1.301 286 Y HN 0.742 nan 8.280 nan 0.000 0.453 287 G N 1.275 110.238 108.800 0.271 0.000 2.461 287 G HA2 0.480 4.439 3.960 -0.000 0.000 0.329 287 G HA3 0.480 4.439 3.960 -0.000 0.000 0.329 287 G C -2.370 172.765 174.900 0.391 0.000 1.170 287 G CA -0.742 44.337 45.100 -0.035 0.000 0.935 287 G HN 0.787 nan 8.290 nan 0.000 0.492 288 W N 2.048 123.279 121.300 -0.115 0.000 2.740 288 W HA 0.504 5.164 4.660 -0.001 0.000 0.316 288 W C -2.469 174.248 176.519 0.330 0.000 1.020 288 W CA -2.350 55.124 57.345 0.215 0.000 1.278 288 W CB 1.214 30.843 29.460 0.282 0.000 1.224 288 W HN 0.257 nan 8.180 nan 0.000 0.393 289 F N 7.917 128.208 119.950 0.567 0.000 2.347 289 F HA 0.464 4.991 4.527 -0.001 0.000 0.366 289 F C -0.327 175.611 175.800 0.231 0.000 1.107 289 F CA -1.549 56.695 58.000 0.406 0.000 1.058 289 F CB 0.962 40.185 39.000 0.372 0.000 1.236 289 F HN 0.215 nan 8.300 nan 0.000 0.456 290 M N 5.861 125.393 119.600 -0.112 0.000 2.193 290 M HA 0.186 4.665 4.480 -0.000 0.000 0.342 290 M C -0.493 175.345 176.300 -0.769 0.000 1.413 290 M CA -0.076 54.999 55.300 -0.375 0.000 1.191 290 M CB 0.009 32.460 32.600 -0.248 0.000 1.633 290 M HN 0.489 nan 8.290 nan 0.000 0.458 291 D N 5.127 124.915 120.400 -1.020 0.000 2.455 291 D HA 0.169 4.809 4.640 -0.000 0.000 0.234 291 D C -1.307 174.803 176.300 -0.316 0.000 1.224 291 D CA 0.500 53.959 54.000 -0.902 0.000 0.999 291 D CB 0.066 40.521 40.800 -0.575 0.000 1.072 291 D HN 0.643 nan 8.370 nan 0.000 0.514 292 N N 2.577 121.182 118.700 -0.158 0.000 2.367 292 N HA 0.128 4.867 4.740 -0.000 0.000 0.278 292 N C -0.185 175.181 175.510 -0.241 0.000 1.117 292 N CA -0.482 52.467 53.050 -0.169 0.000 0.867 292 N CB 2.000 40.399 38.487 -0.147 0.000 1.649 292 N HN 0.015 nan 8.380 nan 0.000 0.479 293 V N -0.280 119.438 119.914 -0.327 0.000 3.253 293 V HA 0.354 4.473 4.120 -0.000 0.000 0.320 293 V C 0.722 176.661 176.094 -0.258 0.000 1.442 293 V CA -0.178 61.852 62.300 -0.449 0.000 1.097 293 V CB -0.328 31.126 31.823 -0.615 0.000 1.008 293 V HN 0.561 nan 8.190 nan 0.000 0.463 294 S N -0.141 115.471 115.700 -0.147 0.000 2.672 294 S HA 0.441 4.911 4.470 -0.000 0.000 0.276 294 S C 0.082 174.637 174.600 -0.076 0.000 1.207 294 S CA -0.371 57.790 58.200 -0.064 0.000 1.002 294 S CB 1.265 64.506 63.200 0.068 0.000 0.998 294 S HN 0.621 nan 8.310 nan 0.000 0.542 295 Q N 1.123 120.912 119.800 -0.019 0.000 2.398 295 Q HA 0.130 4.470 4.340 -0.000 0.000 0.329 295 Q C -0.129 175.609 176.000 -0.438 0.000 1.079 295 Q CA 0.283 56.016 55.803 -0.118 0.000 1.041 295 Q CB 0.110 28.854 28.738 0.009 0.000 1.084 295 Q HN 0.857 nan 8.270 nan 0.000 0.386 296 S N 3.460 118.799 115.700 -0.602 0.000 2.671 296 S HA 0.732 5.202 4.470 -0.000 0.000 0.299 296 S C -1.505 172.522 174.600 -0.954 0.000 1.116 296 S CA -0.744 57.067 58.200 -0.647 0.000 0.912 296 S CB 1.126 64.177 63.200 -0.247 0.000 1.130 296 S HN 0.553 nan 8.310 nan 0.000 0.501 297 Y N -0.515 119.650 120.300 -0.225 0.000 2.470 297 Y HA 0.634 5.183 4.550 -0.000 0.000 0.341 297 Y C -0.768 175.039 175.900 -0.155 0.000 1.021 297 Y CA -0.976 56.993 58.100 -0.218 0.000 1.025 297 Y CB 2.083 40.326 38.460 -0.362 0.000 1.266 297 Y HN 0.592 nan 8.280 nan 0.000 0.448 298 M N 3.545 123.123 119.600 -0.037 0.000 2.046 298 M HA 0.315 4.795 4.480 -0.000 0.000 0.309 298 M C -0.836 175.305 176.300 -0.264 0.000 0.935 298 M CA -0.266 54.914 55.300 -0.200 0.000 0.915 298 M CB 1.165 33.645 32.600 -0.200 0.000 1.474 298 M HN 0.492 nan 8.290 nan 0.000 0.415 299 N N 2.004 120.389 118.700 -0.524 0.000 2.511 299 N HA 0.282 5.022 4.740 -0.000 0.000 0.249 299 N C -0.439 174.696 175.510 -0.624 0.000 0.971 299 N CA -0.052 52.606 53.050 -0.653 0.000 0.938 299 N CB 1.340 39.131 38.487 -1.161 0.000 1.131 299 N HN 0.731 nan 8.380 nan 0.000 0.505 300 T N -0.046 114.219 114.554 -0.483 0.000 3.287 300 T HA 0.356 4.706 4.350 -0.000 0.000 0.253 300 T C 0.971 175.439 174.700 -0.387 0.000 0.975 300 T CA -0.058 61.669 62.100 -0.623 0.000 0.912 300 T CB -0.211 68.186 68.868 -0.784 0.000 1.071 300 T HN 0.606 nan 8.240 nan 0.000 0.578 301 G N 1.013 109.662 108.800 -0.252 0.000 2.173 301 G HA2 -0.159 3.800 3.960 -0.000 0.000 0.174 301 G HA3 -0.159 3.800 3.960 -0.000 0.000 0.174 301 G C -0.490 174.367 174.900 -0.071 0.000 1.025 301 G CA -0.461 44.570 45.100 -0.114 0.000 0.706 301 G HN 0.627 nan 8.290 nan 0.000 0.499 302 D N 0.743 121.105 120.400 -0.063 0.000 2.317 302 D HA 0.503 5.142 4.640 -0.000 0.000 0.252 302 D C 1.943 178.271 176.300 0.046 0.000 1.174 302 D CA 0.518 54.518 54.000 -0.000 0.000 0.866 302 D CB 0.988 41.834 40.800 0.075 0.000 1.127 302 D HN 0.203 nan 8.370 nan 0.000 0.467 303 T N -0.051 114.513 114.554 0.016 0.000 3.023 303 T HA -0.019 4.331 4.350 -0.000 0.000 0.266 303 T C 0.998 175.695 174.700 -0.005 0.000 1.093 303 T CA 0.111 62.218 62.100 0.012 0.000 1.129 303 T CB -0.447 68.414 68.868 -0.012 0.000 0.899 303 T HN 0.343 nan 8.240 nan 0.000 0.491 304 T N 2.378 116.891 114.554 -0.067 0.000 2.946 304 T HA -0.055 4.295 4.350 -0.000 0.000 0.312 304 T C 0.275 174.934 174.700 -0.069 0.000 1.066 304 T CA 0.223 62.125 62.100 -0.330 0.000 1.138 304 T CB -0.236 68.192 68.868 -0.733 0.000 1.014 304 T HN 0.590 nan 8.240 nan 0.000 0.544 305 W N 1.117 122.466 121.300 0.080 0.000 3.572 305 W HA -0.310 4.350 4.660 -0.000 0.000 0.298 305 W C 0.930 177.491 176.519 0.071 0.000 1.113 305 W CA 0.550 57.948 57.345 0.088 0.000 0.657 305 W CB -2.593 26.965 29.460 0.162 0.000 2.150 305 W HN 1.027 nan 8.180 nan 0.000 1.471 306 N N -0.490 118.320 118.700 0.183 0.000 2.708 306 N HA -0.265 4.474 4.740 -0.000 0.000 0.251 306 N C 1.071 176.670 175.510 0.148 0.000 1.123 306 N CA 1.790 54.913 53.050 0.123 0.000 0.739 306 N CB -1.085 37.453 38.487 0.085 0.000 1.113 306 N HN 0.416 nan 8.380 nan 0.000 0.561 307 S N -2.807 113.036 115.700 0.238 0.000 2.387 307 S HA 0.199 4.669 4.470 -0.000 0.000 0.226 307 S C 1.087 175.841 174.600 0.257 0.000 1.026 307 S CA 0.830 59.177 58.200 0.245 0.000 0.972 307 S CB 0.212 63.613 63.200 0.336 0.000 0.814 307 S HN 0.599 nan 8.310 nan 0.000 0.477 308 G N -0.373 108.548 108.800 0.201 0.000 2.730 308 G HA2 0.635 4.595 3.960 -0.000 0.000 0.289 308 G HA3 0.635 4.595 3.960 -0.000 0.000 0.289 308 G C -1.728 173.228 174.900 0.093 0.000 1.341 308 G CA -0.912 44.295 45.100 0.179 0.000 0.932 308 G HN 0.278 nan 8.290 nan 0.000 0.481 309 Q N -0.319 119.525 119.800 0.073 0.000 2.342 309 Q HA 0.233 4.573 4.340 -0.000 0.000 0.267 309 Q C 0.417 176.425 176.000 0.013 0.000 1.038 309 Q CA -0.877 54.946 55.803 0.033 0.000 0.832 309 Q CB 2.742 31.497 28.738 0.027 0.000 1.323 309 Q HN 0.620 nan 8.270 nan 0.000 0.448 310 E N 1.201 121.403 120.200 0.003 0.000 2.108 310 E HA -0.227 4.123 4.350 -0.000 0.000 0.203 310 E C 0.150 176.749 176.600 -0.002 0.000 1.022 310 E CA 1.622 58.022 56.400 -0.001 0.000 0.823 310 E CB 0.206 29.905 29.700 -0.000 0.000 0.744 310 E HN 0.572 nan 8.360 nan 0.000 0.456 311 D N -0.349 120.044 120.400 -0.013 0.000 2.342 311 D HA 0.200 4.840 4.640 -0.000 0.000 0.221 311 D C 0.259 176.526 176.300 -0.056 0.000 1.101 311 D CA 0.168 54.142 54.000 -0.044 0.000 0.837 311 D CB 0.330 41.089 40.800 -0.068 0.000 0.938 311 D HN 0.049 nan 8.370 nan 0.000 0.508 312 L N -0.153 121.070 121.223 0.001 0.000 2.309 312 L HA 0.807 5.147 4.340 -0.000 0.000 0.261 312 L C -0.455 176.461 176.870 0.076 0.000 1.021 312 L CA -1.129 53.742 54.840 0.051 0.000 0.823 312 L CB 2.113 44.221 42.059 0.083 0.000 1.366 312 L HN -0.211 nan 8.230 nan 0.000 0.423 313 A N 0.947 123.867 122.820 0.167 0.000 2.539 313 A HA 0.886 5.206 4.320 -0.000 0.000 0.296 313 A C -1.835 175.965 177.584 0.360 0.000 1.073 313 A CA -0.382 51.717 52.037 0.103 0.000 0.700 313 A CB 1.919 20.974 19.000 0.092 0.000 1.296 313 A HN 0.687 nan 8.150 nan 0.000 0.405 314 Y N -1.459 118.920 120.300 0.133 0.000 2.689 314 Y HA 0.837 5.387 4.550 -0.001 0.000 0.333 314 Y C -1.293 174.558 175.900 -0.082 0.000 1.208 314 Y CA -1.668 56.540 58.100 0.180 0.000 1.055 314 Y CB 1.103 39.663 38.460 0.167 0.000 1.304 314 Y HN 0.625 nan 8.280 nan 0.000 0.455 315 M N 1.552 121.332 119.600 0.300 0.000 2.501 315 M HA 0.768 5.248 4.480 -0.000 0.000 0.293 315 M C -0.508 176.025 176.300 0.388 0.000 1.192 315 M CA -0.605 54.765 55.300 0.118 0.000 0.886 315 M CB 2.694 35.084 32.600 -0.349 0.000 1.710 315 M HN 1.134 nan 8.290 nan 0.000 0.457 316 G N 0.902 109.931 108.800 0.382 0.000 2.721 316 G HA2 0.925 4.885 3.960 -0.000 0.000 0.296 316 G HA3 0.925 4.885 3.960 -0.000 0.000 0.296 316 G C -2.310 172.750 174.900 0.267 0.000 1.383 316 G CA -0.482 44.932 45.100 0.524 0.000 0.788 316 G HN 0.934 nan 8.290 nan 0.000 0.500 317 A N -1.152 121.860 122.820 0.320 0.000 2.605 317 A HA 0.633 4.953 4.320 -0.000 0.000 0.294 317 A C 0.223 177.959 177.584 0.252 0.000 1.062 317 A CA -0.305 51.806 52.037 0.124 0.000 0.682 317 A CB 1.460 20.488 19.000 0.046 0.000 1.278 317 A HN 0.422 nan 8.150 nan 0.000 0.410 318 Q N -0.412 119.504 119.800 0.194 0.000 2.297 318 Q HA 0.032 4.371 4.340 -0.000 0.000 0.204 318 Q C -0.689 175.289 176.000 -0.037 0.000 0.962 318 Q CA 1.501 57.410 55.803 0.177 0.000 0.879 318 Q CB -0.003 28.869 28.738 0.224 0.000 0.947 318 Q HN 0.665 nan 8.270 nan 0.000 0.462 319 Y N -1.194 119.147 120.300 0.068 0.000 2.545 319 Y HA 0.504 5.054 4.550 -0.000 0.000 0.348 319 Y C 0.873 176.784 175.900 0.019 0.000 1.002 319 Y CA -0.971 57.154 58.100 0.042 0.000 1.039 319 Y CB 1.393 39.878 38.460 0.041 0.000 1.271 319 Y HN -0.066 nan 8.280 nan 0.000 0.467 320 G N 1.623 110.497 108.800 0.123 0.000 2.683 320 G HA2 0.395 4.354 3.960 -0.000 0.000 0.260 320 G HA3 0.395 4.354 3.960 -0.000 0.000 0.260 320 G C -2.603 172.321 174.900 0.039 0.000 1.238 320 G CA -0.834 44.279 45.100 0.021 0.000 0.934 320 G HN 0.342 nan 8.290 nan 0.000 0.534 321 P HA 0.341 nan 4.420 nan 0.000 0.293 321 P C -1.067 176.154 177.300 -0.133 0.000 1.304 321 P CA -0.692 62.348 63.100 -0.100 0.000 0.767 321 P CB 0.588 32.251 31.700 -0.062 0.000 1.247 322 F N 0.820 120.486 119.950 -0.474 0.000 2.404 322 F HA 0.473 5.000 4.527 -0.001 0.000 0.354 322 F C -0.530 175.106 175.800 -0.274 0.000 1.122 322 F CA 0.013 57.730 58.000 -0.471 0.000 1.080 322 F CB 0.604 38.951 39.000 -1.088 0.000 1.131 322 F HN 0.076 nan 8.300 nan 0.000 0.471 323 D N 5.485 125.646 120.400 -0.398 0.000 2.591 323 D HA 0.203 4.843 4.640 -0.000 0.000 0.222 323 D C -1.714 174.416 176.300 -0.283 0.000 1.360 323 D CA -0.208 53.687 54.000 -0.175 0.000 0.967 323 D CB 1.379 42.135 40.800 -0.074 0.000 1.456 323 D HN 0.723 nan 8.370 nan 0.000 0.588 324 Q N 1.735 121.415 119.800 -0.200 0.000 2.377 324 Q HA 0.614 4.954 4.340 -0.000 0.000 0.279 324 Q C -1.457 174.402 176.000 -0.235 0.000 1.049 324 Q CA -0.892 54.796 55.803 -0.191 0.000 0.825 324 Q CB 2.008 30.588 28.738 -0.264 0.000 1.401 324 Q HN 0.284 nan 8.270 nan 0.000 0.404 325 H N 0.810 119.760 119.070 -0.201 0.000 2.529 325 H HA 0.611 5.167 4.556 -0.001 0.000 0.348 325 H C -1.409 173.681 175.328 -0.398 0.000 1.152 325 H CA -0.470 55.496 56.048 -0.138 0.000 1.202 325 H CB 1.140 31.069 29.762 0.279 0.000 1.562 325 H HN 0.486 nan 8.280 nan 0.000 0.515 326 F N 1.402 121.394 119.950 0.069 0.000 2.477 326 F HA 0.436 4.963 4.527 -0.000 0.000 0.335 326 F C -0.564 175.373 175.800 0.228 0.000 1.130 326 F CA -0.897 57.138 58.000 0.059 0.000 0.948 326 F CB 1.385 40.188 39.000 -0.327 0.000 1.154 326 F HN 0.170 nan 8.300 nan 0.000 0.439 327 V N 4.585 124.823 119.914 0.542 0.000 2.305 327 V HA 0.098 4.218 4.120 -0.000 0.000 0.275 327 V C 0.117 176.489 176.094 0.464 0.000 1.020 327 V CA -0.657 61.941 62.300 0.497 0.000 0.811 327 V CB 0.742 32.891 31.823 0.543 0.000 1.031 327 V HN 0.842 nan 8.190 nan 0.000 0.439 328 Y N 4.341 124.832 120.300 0.319 0.000 2.420 328 Y HA 0.463 5.013 4.550 -0.001 0.000 0.292 328 Y C 1.310 177.338 175.900 0.213 0.000 1.119 328 Y CA 1.193 59.454 58.100 0.268 0.000 1.229 328 Y CB 0.277 38.857 38.460 0.199 0.000 1.026 328 Y HN 0.807 nan 8.280 nan 0.000 0.554 329 G N -0.519 108.443 108.800 0.270 0.000 2.699 329 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.686 329 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.686 329 G C 0.459 175.498 174.900 0.232 0.000 1.301 329 G CA -0.427 44.771 45.100 0.164 0.000 0.816 329 G HN 0.759 nan 8.290 nan 0.000 0.595 330 A N -0.017 122.903 122.820 0.166 0.000 1.898 330 A HA 0.596 4.915 4.320 -0.000 0.000 0.214 330 A C 1.869 179.542 177.584 0.147 0.000 1.183 330 A CA 2.473 54.606 52.037 0.159 0.000 0.622 330 A CB -0.529 18.547 19.000 0.126 0.000 0.824 330 A HN 2.385 nan 8.150 nan 0.000 0.444 331 G N -1.885 106.974 108.800 0.099 0.000 2.971 331 G HA2 0.491 4.450 3.960 -0.000 0.000 0.235 331 G HA3 0.491 4.450 3.960 -0.000 0.000 0.235 331 G C -0.014 174.919 174.900 0.055 0.000 1.351 331 G CA -0.190 44.958 45.100 0.080 0.000 1.039 331 G HN 0.714 nan 8.290 nan 0.000 0.563 332 G N -1.785 107.029 108.800 0.024 0.000 2.356 332 G HA2 0.680 4.640 3.960 -0.000 0.000 0.322 332 G HA3 0.680 4.640 3.960 -0.000 0.000 0.322 332 G C 0.016 174.869 174.900 -0.079 0.000 1.125 332 G CA 0.214 45.302 45.100 -0.020 0.000 0.885 332 G HN 1.752 nan 8.290 nan 0.000 0.467 333 G N 1.395 110.119 108.800 -0.127 0.000 2.521 333 G HA2 0.007 3.967 3.960 -0.000 0.000 0.589 333 G HA3 0.007 3.967 3.960 -0.000 0.000 0.589 333 G C 0.724 175.546 174.900 -0.129 0.000 1.501 333 G CA -0.232 44.794 45.100 -0.123 0.000 0.887 333 G HN 0.607 nan 8.290 nan 0.000 0.654 334 M N 0.203 119.717 119.600 -0.143 0.000 2.108 334 M HA -0.083 4.397 4.480 -0.000 0.000 0.257 334 M C 1.697 177.963 176.300 -0.056 0.000 1.071 334 M CA 1.710 56.921 55.300 -0.147 0.000 1.093 334 M CB -0.217 32.253 32.600 -0.218 0.000 1.345 334 M HN 0.747 nan 8.290 nan 0.000 0.403 338 V N 1.860 121.918 119.914 0.240 0.000 2.278 338 V HA -0.315 3.805 4.120 -0.000 0.000 0.251 338 V C 2.738 178.937 176.094 0.175 0.000 1.062 338 V CA 3.281 65.728 62.300 0.245 0.000 1.038 338 V CB -1.177 30.740 31.823 0.156 0.000 0.646 338 V HN 0.839 nan 8.190 nan 0.000 0.447 339 T N -1.877 112.754 114.554 0.129 0.000 3.023 339 T HA 0.090 4.440 4.350 -0.000 0.000 0.266 339 T C 1.778 176.548 174.700 0.116 0.000 1.093 339 T CA 1.128 63.283 62.100 0.092 0.000 1.129 339 T CB -0.123 68.793 68.868 0.081 0.000 0.899 339 T HN 0.474 nan 8.240 nan 0.000 0.491 340 A N 0.646 123.568 122.820 0.170 0.000 1.935 340 A HA 0.251 4.571 4.320 -0.000 0.000 0.214 340 A C 1.894 179.611 177.584 0.221 0.000 1.178 340 A CA 0.536 52.693 52.037 0.200 0.000 0.640 340 A CB -0.966 18.175 19.000 0.235 0.000 0.825 340 A HN 0.424 nan 8.150 nan 0.000 0.447 341 F N 2.264 122.230 119.950 0.027 0.000 2.095 341 F HA -0.223 4.303 4.527 -0.000 0.000 0.298 341 F C 2.816 178.503 175.800 -0.190 0.000 1.104 341 F CA 1.753 59.666 58.000 -0.146 0.000 1.232 341 F CB -0.656 38.096 39.000 -0.414 0.000 0.987 341 F HN 0.336 nan 8.300 nan 0.000 0.475 342 S N 0.208 115.826 115.700 -0.137 0.000 2.382 342 S HA -0.210 4.259 4.470 -0.000 0.000 0.228 342 S C 2.060 176.576 174.600 -0.140 0.000 1.027 342 S CA 1.233 59.297 58.200 -0.227 0.000 0.991 342 S CB -1.203 61.916 63.200 -0.135 0.000 0.823 342 S HN 0.431 nan 8.310 nan 0.000 0.469 343 L N 0.941 122.144 121.223 -0.032 0.000 2.201 343 L HA 0.243 4.583 4.340 -0.000 0.000 0.212 343 L C 2.088 178.975 176.870 0.028 0.000 1.105 343 L CA 1.341 56.198 54.840 0.029 0.000 0.775 343 L CB -0.504 41.624 42.059 0.116 0.000 0.913 343 L HN 0.351 nan 8.230 nan 0.000 0.440 344 L N -0.894 120.319 121.223 -0.018 0.000 2.217 344 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 344 L C 2.051 178.849 176.870 -0.120 0.000 1.107 344 L CA 0.995 55.824 54.840 -0.019 0.000 0.783 344 L CB -0.323 41.725 42.059 -0.018 0.000 0.919 344 L HN 0.431 nan 8.230 nan 0.000 0.442 345 Q N -0.535 119.127 119.800 -0.230 0.000 2.247 345 Q HA 0.188 4.527 4.340 -0.000 0.000 0.211 345 Q C 1.069 176.957 176.000 -0.186 0.000 0.861 345 Q CA -0.067 55.581 55.803 -0.258 0.000 0.949 345 Q CB 0.553 29.048 28.738 -0.405 0.000 1.115 345 Q HN 0.386 nan 8.270 nan 0.000 0.507 346 G N 1.128 109.868 108.800 -0.099 0.000 2.684 346 G HA2 0.058 4.018 3.960 -0.000 0.000 0.255 346 G HA3 0.058 4.018 3.960 -0.000 0.000 0.255 346 G C 0.422 175.244 174.900 -0.130 0.000 1.219 346 G CA -0.352 44.703 45.100 -0.075 0.000 0.901 346 G HN -0.008 nan 8.290 nan 0.000 0.548 347 K N -0.056 120.212 120.400 -0.220 0.000 2.537 347 K HA 0.137 4.457 4.320 -0.000 0.000 0.206 347 K C 1.378 177.631 176.600 -0.578 0.000 1.041 347 K CA -0.141 55.888 56.287 -0.430 0.000 1.090 347 K CB 0.986 33.227 32.500 -0.432 0.000 0.833 347 K HN 0.513 nan 8.250 nan 0.000 0.493 348 E N 0.560 120.421 120.200 -0.565 0.000 2.187 348 E HA -0.217 4.133 4.350 -0.000 0.000 0.199 348 E C 1.436 177.420 176.600 -1.026 0.000 1.004 348 E CA 1.702 57.565 56.400 -0.895 0.000 0.813 348 E CB -0.526 28.262 29.700 -1.520 0.000 0.736 348 E HN 0.501 nan 8.360 nan 0.000 0.468 349 F N 0.450 119.887 119.950 -0.855 0.000 2.269 349 F HA -0.008 4.519 4.527 -0.001 0.000 0.301 349 F C 1.467 177.138 175.800 -0.215 0.000 1.082 349 F CA 0.925 58.626 58.000 -0.497 0.000 1.360 349 F CB -0.382 38.510 39.000 -0.180 0.000 1.041 349 F HN -0.096 nan 8.300 nan 0.000 0.512 350 E N 0.384 119.938 120.200 -1.076 0.000 2.502 350 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 350 E C -0.096 176.296 176.600 -0.346 0.000 1.062 350 E CA 0.276 56.262 56.400 -0.690 0.000 0.867 350 E CB -0.303 28.913 29.700 -0.806 0.000 0.888 350 E HN 0.382 nan 8.360 nan 0.000 0.510 351 N N 2.093 120.608 118.700 -0.308 0.000 2.735 351 N HA -0.157 4.582 4.740 -0.000 0.000 0.248 351 N C -0.816 174.609 175.510 -0.143 0.000 1.083 351 N CA 0.698 53.651 53.050 -0.162 0.000 0.703 351 N CB -0.882 37.573 38.487 -0.053 0.000 1.005 351 N HN 0.309 nan 8.380 nan 0.000 0.550 352 Q N 0.502 120.177 119.800 -0.209 0.000 2.247 352 Q HA 0.029 4.368 4.340 -0.000 0.000 0.288 352 Q C 1.383 177.337 176.000 -0.076 0.000 1.079 352 Q CA 0.226 55.941 55.803 -0.146 0.000 0.932 352 Q CB 1.271 29.897 28.738 -0.187 0.000 1.133 352 Q HN 0.274 nan 8.270 nan 0.000 0.377 353 V N 4.396 124.309 119.914 -0.001 0.000 2.878 353 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 353 V C 1.123 177.314 176.094 0.161 0.000 1.075 353 V CA 1.196 63.549 62.300 0.089 0.000 1.096 353 V CB 0.224 32.122 31.823 0.126 0.000 0.724 353 V HN 0.690 nan 8.190 nan 0.000 0.467 354 L N -0.253 121.005 121.223 0.058 0.000 2.666 354 L HA 0.514 4.854 4.340 -0.000 0.000 0.184 354 L C 0.729 177.483 176.870 -0.193 0.000 1.092 354 L CA 0.940 55.730 54.840 -0.083 0.000 0.857 354 L CB -0.414 41.523 42.059 -0.203 0.000 1.281 354 L HN 0.185 nan 8.230 nan 0.000 0.489 355 N N 1.725 120.327 118.700 -0.163 0.000 2.819 355 N HA 0.072 4.812 4.740 -0.000 0.000 0.284 355 N C 0.397 175.805 175.510 -0.170 0.000 1.196 355 N CA 0.208 53.148 53.050 -0.183 0.000 1.114 355 N CB 0.399 38.805 38.487 -0.135 0.000 1.437 355 N HN 0.489 nan 8.380 nan 0.000 0.518 356 K N 0.437 120.711 120.400 -0.210 0.000 2.244 356 K HA 0.194 4.514 4.320 -0.000 0.000 0.200 356 K C 1.214 177.747 176.600 -0.112 0.000 1.052 356 K CA 0.333 56.510 56.287 -0.184 0.000 0.980 356 K CB 0.686 33.060 32.500 -0.211 0.000 0.838 356 K HN 0.069 nan 8.250 nan 0.000 0.481 357 R N 0.121 120.503 120.500 -0.196 0.000 2.342 357 R HA 0.189 4.529 4.340 -0.000 0.000 0.204 357 R C 0.861 176.841 176.300 -0.534 0.000 0.882 357 R CA 0.417 56.390 56.100 -0.211 0.000 1.041 357 R CB 1.013 31.180 30.300 -0.221 0.000 1.188 357 R HN 0.164 nan 8.270 nan 0.000 0.598 358 S N -0.692 114.676 115.700 -0.555 0.000 2.705 358 S HA 0.589 5.059 4.470 -0.000 0.000 0.280 358 S C -0.395 173.949 174.600 -0.427 0.000 1.174 358 S CA -0.795 57.000 58.200 -0.674 0.000 0.823 358 S CB 1.721 64.660 63.200 -0.435 0.000 1.162 358 S HN -0.074 nan 8.310 nan 0.000 0.487 359 V N -0.831 118.895 119.914 -0.313 0.000 2.547 359 V HA 0.651 4.771 4.120 -0.000 0.000 0.299 359 V C -0.019 176.015 176.094 -0.100 0.000 1.040 359 V CA -1.011 61.188 62.300 -0.169 0.000 0.913 359 V CB 1.254 33.019 31.823 -0.097 0.000 0.992 359 V HN 0.906 nan 8.190 nan 0.000 0.449 360 M N 5.055 124.576 119.600 -0.132 0.000 2.233 360 M HA 0.442 4.921 4.480 -0.000 0.000 0.350 360 M C -2.227 174.022 176.300 -0.084 0.000 1.176 360 M CA -1.712 53.492 55.300 -0.161 0.000 1.150 360 M CB 1.013 33.454 32.600 -0.265 0.000 1.530 360 M HN 0.581 nan 8.290 nan 0.000 0.459 361 P HA 0.455 nan 4.420 nan 0.000 0.281 361 P C -2.833 174.269 177.300 -0.332 0.000 1.281 361 P CA -1.790 61.008 63.100 -0.503 0.000 0.811 361 P CB -0.305 30.688 31.700 -1.178 0.000 1.154 362 P HA 0.059 nan 4.420 nan 0.000 0.269 362 P C 0.954 177.908 177.300 -0.577 0.000 1.209 362 P CA 0.042 62.743 63.100 -0.664 0.000 0.776 362 P CB 0.319 31.136 31.700 -1.472 0.000 0.876 363 K N 4.008 124.158 120.400 -0.417 0.000 2.097 363 K HA -0.254 4.066 4.320 -0.000 0.000 0.214 363 K C 1.691 178.081 176.600 -0.351 0.000 1.052 363 K CA 2.297 58.238 56.287 -0.576 0.000 0.932 363 K CB -1.641 30.442 32.500 -0.696 0.000 0.716 363 K HN 0.585 nan 8.250 nan 0.000 0.455 364 Y N -0.980 119.099 120.300 -0.368 0.000 2.569 364 Y HA 0.049 4.599 4.550 -0.000 0.000 0.293 364 Y C 1.584 177.359 175.900 -0.207 0.000 1.144 364 Y CA 0.490 58.385 58.100 -0.342 0.000 1.321 364 Y CB -1.062 37.117 38.460 -0.467 0.000 0.982 364 Y HN -0.095 nan 8.280 nan 0.000 0.558 365 V N -0.119 119.648 119.914 -0.245 0.000 3.141 365 V HA -0.182 3.938 4.120 -0.000 0.000 0.265 365 V C 1.225 177.243 176.094 -0.127 0.000 1.126 365 V CA 1.257 63.444 62.300 -0.187 0.000 1.141 365 V CB -0.998 30.383 31.823 -0.737 0.000 0.743 365 V HN 0.356 nan 8.190 nan 0.000 0.492 366 F N 0.365 120.305 119.950 -0.017 0.000 2.765 366 F HA 0.404 4.930 4.527 -0.001 0.000 0.302 366 F C 1.585 177.330 175.800 -0.091 0.000 1.111 366 F CA -0.015 57.967 58.000 -0.029 0.000 1.359 366 F CB -0.307 38.624 39.000 -0.115 0.000 1.097 366 F HN 0.161 nan 8.300 nan 0.000 0.577 367 G N -0.681 108.120 108.800 0.002 0.000 2.535 367 G HA2 0.254 4.214 3.960 -0.000 0.000 0.303 367 G HA3 0.254 4.214 3.960 -0.000 0.000 0.303 367 G C -1.214 173.778 174.900 0.154 0.000 1.237 367 G CA -0.425 44.606 45.100 -0.116 0.000 0.986 367 G HN -0.002 nan 8.290 nan 0.000 0.494 368 F N 0.489 120.550 119.950 0.185 0.000 2.445 368 F HA 0.643 5.169 4.527 -0.000 0.000 0.359 368 F C -0.987 174.549 175.800 -0.439 0.000 1.101 368 F CA -1.881 56.136 58.000 0.028 0.000 1.177 368 F CB 0.188 39.336 39.000 0.246 0.000 1.110 368 F HN 0.135 nan 8.300 nan 0.000 0.522 369 F N 3.765 123.229 119.950 -0.811 0.000 2.507 369 F HA 0.482 5.009 4.527 -0.001 0.000 0.327 369 F C -0.312 174.926 175.800 -0.937 0.000 1.068 369 F CA -0.746 56.769 58.000 -0.808 0.000 0.965 369 F CB 1.681 40.356 39.000 -0.542 0.000 1.192 369 F HN 0.346 nan 8.300 nan 0.000 0.476 370 Q N 1.248 120.880 119.800 -0.281 0.000 2.310 370 Q HA 0.650 4.990 4.340 -0.000 0.000 0.270 370 Q C -0.942 175.110 176.000 0.087 0.000 1.025 370 Q CA -0.571 55.181 55.803 -0.084 0.000 0.772 370 Q CB 1.974 30.768 28.738 0.094 0.000 1.253 370 Q HN 0.806 nan 8.270 nan 0.000 0.450 371 G N 1.506 110.398 108.800 0.153 0.000 2.542 371 G HA2 0.697 4.657 3.960 -0.000 0.000 0.311 371 G HA3 0.697 4.657 3.960 -0.000 0.000 0.311 371 G C -1.522 173.750 174.900 0.619 0.000 1.298 371 G CA -0.572 44.646 45.100 0.196 0.000 0.973 371 G HN 0.480 nan 8.290 nan 0.000 0.487 372 V N 2.300 122.480 119.914 0.443 0.000 2.623 372 V HA 0.372 4.492 4.120 -0.000 0.000 0.304 372 V C -1.249 175.042 176.094 0.330 0.000 1.054 372 V CA -0.834 61.575 62.300 0.181 0.000 0.882 372 V CB 1.891 33.784 31.823 0.117 0.000 1.002 372 V HN 0.708 nan 8.190 nan 0.000 0.424 373 F N 4.410 124.343 119.950 -0.027 0.000 2.384 373 F HA 0.726 5.253 4.527 -0.001 0.000 0.359 373 F C 0.855 176.579 175.800 -0.127 0.000 1.143 373 F CA -0.627 57.391 58.000 0.030 0.000 1.216 373 F CB 0.390 39.453 39.000 0.104 0.000 1.512 373 F HN 0.747 nan 8.300 nan 0.000 0.573 374 G N 2.253 111.057 108.800 0.007 0.000 2.334 374 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.222 374 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.222 374 G C -0.126 174.754 174.900 -0.034 0.000 1.077 374 G CA -0.210 44.784 45.100 -0.176 0.000 0.861 374 G HN 0.822 nan 8.290 nan 0.000 0.508 375 T N -1.607 113.001 114.554 0.090 0.000 2.816 375 T HA 0.690 5.040 4.350 -0.000 0.000 0.282 375 T C 1.152 175.947 174.700 0.158 0.000 0.993 375 T CA 0.489 62.663 62.100 0.122 0.000 0.994 375 T CB 1.864 70.858 68.868 0.210 0.000 1.025 375 T HN 1.211 nan 8.240 nan 0.000 0.529 376 S N -1.658 114.082 115.700 0.065 0.000 2.998 376 S HA 0.423 4.893 4.470 -0.000 0.000 0.256 376 S C 0.088 174.614 174.600 -0.123 0.000 0.970 376 S CA -0.008 58.239 58.200 0.079 0.000 1.238 376 S CB -0.542 62.665 63.200 0.013 0.000 1.170 376 S HN 1.557 nan 8.310 nan 0.000 0.663 377 S N 0.075 115.443 115.700 -0.552 0.000 2.611 377 S HA 0.583 5.052 4.470 -0.000 0.000 0.270 377 S C 0.013 173.930 174.600 -1.139 0.000 1.131 377 S CA -0.597 57.053 58.200 -0.917 0.000 0.826 377 S CB 0.702 63.679 63.200 -0.371 0.000 1.095 377 S HN 0.311 nan 8.310 nan 0.000 0.461 378 L N 1.344 121.941 121.223 -1.045 0.000 1.961 378 L HA 0.456 4.796 4.340 -0.000 0.000 0.209 378 L C 0.378 176.876 176.870 -0.621 0.000 1.075 378 L CA 1.558 55.946 54.840 -0.752 0.000 0.749 378 L CB -0.814 40.871 42.059 -0.623 0.000 0.890 378 L HN 0.749 nan 8.230 nan 0.000 0.433 379 L N 0.052 120.979 121.223 -0.493 0.000 2.334 379 L HA 0.263 4.602 4.340 -0.000 0.000 0.277 379 L C 1.701 178.395 176.870 -0.293 0.000 1.075 379 L CA -0.469 54.120 54.840 -0.419 0.000 0.804 379 L CB 0.964 42.798 42.059 -0.376 0.000 1.174 379 L HN 0.170 nan 8.230 nan 0.000 0.438 380 R N 1.968 122.326 120.500 -0.236 0.000 2.103 380 R HA -0.182 4.158 4.340 -0.000 0.000 0.242 380 R C 2.022 178.220 176.300 -0.169 0.000 1.142 380 R CA 1.684 57.684 56.100 -0.167 0.000 0.960 380 R CB -0.353 29.874 30.300 -0.121 0.000 0.858 380 R HN 0.859 nan 8.270 nan 0.000 0.439 381 A N 0.395 123.067 122.820 -0.246 0.000 2.178 381 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 381 A C 0.822 178.238 177.584 -0.279 0.000 1.157 381 A CA 1.204 53.069 52.037 -0.286 0.000 0.689 381 A CB -0.224 18.540 19.000 -0.393 0.000 0.787 381 A HN 0.307 nan 8.150 nan 0.000 0.465 382 H N -1.856 117.148 119.070 -0.110 0.000 2.581 382 H HA 0.272 4.828 4.556 -0.001 0.000 0.275 382 H C 0.130 175.389 175.328 -0.115 0.000 1.126 382 H CA -0.350 55.636 56.048 -0.103 0.000 1.097 382 H CB -0.182 29.512 29.762 -0.113 0.000 1.626 382 H HN 0.562 nan 8.280 nan 0.000 0.565 383 M N 3.721 123.306 119.600 -0.024 0.000 2.146 383 M HA 0.264 4.744 4.480 -0.000 0.000 0.352 383 M C -2.339 173.950 176.300 -0.020 0.000 1.343 383 M CA -1.462 53.809 55.300 -0.049 0.000 1.115 383 M CB 0.910 33.467 32.600 -0.073 0.000 1.657 383 M HN -0.134 nan 8.290 nan 0.000 0.471 384 P HA 0.210 nan 4.420 nan 0.000 0.272 384 P C -0.908 176.386 177.300 -0.010 0.000 1.223 384 P CA -0.335 62.760 63.100 -0.008 0.000 0.784 384 P CB 0.481 32.176 31.700 -0.008 0.000 0.923 385 A N 1.472 124.289 122.820 -0.006 0.000 2.507 385 A HA 0.506 4.825 4.320 -0.000 0.000 0.235 385 A C 0.741 178.324 177.584 -0.001 0.000 1.070 385 A CA 0.814 52.850 52.037 -0.002 0.000 0.768 385 A CB -0.817 18.184 19.000 0.001 0.000 1.011 385 A HN 0.897 nan 8.150 nan 0.000 0.502 386 G N 0.260 109.066 108.800 0.010 0.000 2.308 386 G HA2 0.391 4.351 3.960 -0.000 0.000 0.288 386 G HA3 0.391 4.351 3.960 -0.000 0.000 0.288 386 G C -0.763 174.170 174.900 0.054 0.000 1.722 386 G CA -0.271 44.840 45.100 0.018 0.000 0.924 386 G HN 1.079 nan 8.290 nan 0.000 0.732 387 E N 1.693 121.957 120.200 0.106 0.000 2.465 387 E HA 0.198 4.547 4.350 -0.000 0.000 0.260 387 E C 1.243 177.973 176.600 0.216 0.000 0.980 387 E CA 0.821 57.327 56.400 0.175 0.000 0.927 387 E CB 0.250 30.124 29.700 0.290 0.000 0.934 387 E HN 0.726 nan 8.360 nan 0.000 0.459 388 N N 2.690 121.479 118.700 0.148 0.000 2.936 388 N HA -0.239 4.501 4.740 -0.000 0.000 0.236 388 N C -0.961 174.612 175.510 0.105 0.000 0.930 388 N CA 1.126 54.264 53.050 0.147 0.000 0.966 388 N CB -1.455 37.186 38.487 0.257 0.000 1.090 388 N HN 0.606 nan 8.380 nan 0.000 0.592 389 N N 0.854 119.595 118.700 0.068 0.000 2.294 389 N HA 0.198 4.937 4.740 -0.000 0.000 0.248 389 N C 0.130 175.653 175.510 0.022 0.000 1.242 389 N CA 0.657 53.722 53.050 0.025 0.000 0.848 389 N CB 0.305 38.793 38.487 0.002 0.000 1.084 389 N HN 0.522 nan 8.380 nan 0.000 0.457 390 I N -0.110 120.467 120.570 0.013 0.000 2.769 390 I HA 0.355 4.525 4.170 -0.000 0.000 0.298 390 I C -0.520 175.583 176.117 -0.024 0.000 1.128 390 I CA -0.568 60.741 61.300 0.015 0.000 1.031 390 I CB 1.547 39.585 38.000 0.063 0.000 1.235 390 I HN 0.604 nan 8.210 nan 0.000 0.423 391 S N 4.494 120.161 115.700 -0.054 0.000 2.638 391 S HA 0.391 4.861 4.470 -0.000 0.000 0.298 391 S C 0.890 175.439 174.600 -0.085 0.000 1.111 391 S CA -0.704 57.418 58.200 -0.131 0.000 1.027 391 S CB 1.873 64.957 63.200 -0.193 0.000 1.064 391 S HN 0.477 nan 8.310 nan 0.000 0.525 392 V N 1.584 121.416 119.914 -0.137 0.000 2.324 392 V HA -0.221 3.898 4.120 -0.000 0.000 0.250 392 V C 2.757 178.855 176.094 0.006 0.000 1.060 392 V CA 2.537 64.821 62.300 -0.028 0.000 1.042 392 V CB -1.321 30.455 31.823 -0.080 0.000 0.650 392 V HN 1.081 nan 8.190 nan 0.000 0.450 393 E N 0.200 120.310 120.200 -0.150 0.000 2.097 393 E HA -0.322 4.027 4.350 -0.000 0.000 0.196 393 E C 2.263 178.894 176.600 0.051 0.000 1.000 393 E CA 1.931 58.301 56.400 -0.050 0.000 0.804 393 E CB -0.181 29.403 29.700 -0.194 0.000 0.740 393 E HN 0.757 nan 8.360 nan 0.000 0.454 394 E N 0.061 120.254 120.200 -0.011 0.000 2.106 394 E HA -0.170 4.179 4.350 -0.000 0.000 0.192 394 E C 2.111 178.693 176.600 -0.030 0.000 0.984 394 E CA 1.152 57.534 56.400 -0.030 0.000 0.806 394 E CB -0.081 29.608 29.700 -0.018 0.000 0.750 394 E HN 0.396 nan 8.360 nan 0.000 0.458 395 I N 0.382 121.000 120.570 0.080 0.000 2.179 395 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 395 I C 2.419 178.576 176.117 0.067 0.000 1.088 395 I CA 0.659 62.058 61.300 0.164 0.000 1.357 395 I CB -0.304 37.849 38.000 0.256 0.000 1.051 395 I HN 0.039 nan 8.210 nan 0.000 0.409 396 V N 0.764 120.773 119.914 0.159 0.000 2.287 396 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 396 V C 2.470 178.562 176.094 -0.003 0.000 1.053 396 V CA 2.137 64.550 62.300 0.188 0.000 1.027 396 V CB -0.604 31.454 31.823 0.392 0.000 0.646 396 V HN 0.415 nan 8.190 nan 0.000 0.447 397 E N -0.143 120.027 120.200 -0.048 0.000 2.058 397 E HA -0.188 4.161 4.350 -0.000 0.000 0.194 397 E C 2.273 178.648 176.600 -0.374 0.000 0.997 397 E CA 1.393 57.709 56.400 -0.139 0.000 0.801 397 E CB -0.643 28.996 29.700 -0.101 0.000 0.746 397 E HN 0.639 nan 8.360 nan 0.000 0.450 398 G N 0.041 108.347 108.800 -0.823 0.000 2.553 398 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 398 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 398 G C 1.071 175.449 174.900 -0.869 0.000 1.195 398 G CA 1.410 45.525 45.100 -1.641 0.000 0.779 398 G HN 0.217 nan 8.290 nan 0.000 0.577 399 Y N 0.798 120.779 120.300 -0.531 0.000 2.049 399 Y HA -0.145 4.405 4.550 -0.001 0.000 0.277 399 Y C 3.319 179.218 175.900 -0.003 0.000 1.143 399 Y CA 1.818 59.772 58.100 -0.244 0.000 1.115 399 Y CB -0.896 37.130 38.460 -0.723 0.000 0.975 399 Y HN 0.243 nan 8.280 nan 0.000 0.487 400 Q N -0.113 119.763 119.800 0.127 0.000 2.045 400 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 400 Q C 2.010 178.062 176.000 0.085 0.000 0.991 400 Q CA 1.604 57.493 55.803 0.143 0.000 0.851 400 Q CB -0.431 28.380 28.738 0.121 0.000 0.911 400 Q HN 0.501 nan 8.270 nan 0.000 0.418 401 N N 0.939 119.646 118.700 0.012 0.000 2.137 401 N HA -0.132 4.607 4.740 -0.000 0.000 0.190 401 N C 0.936 176.463 175.510 0.028 0.000 1.017 401 N CA 1.022 54.069 53.050 -0.005 0.000 0.859 401 N CB -0.348 38.102 38.487 -0.063 0.000 1.002 401 N HN 0.243 nan 8.380 nan 0.000 0.428 402 N N 1.283 120.031 118.700 0.080 0.000 2.313 402 N HA -0.024 4.716 4.740 -0.000 0.000 0.207 402 N C -0.357 175.238 175.510 0.143 0.000 1.141 402 N CA -0.033 53.104 53.050 0.145 0.000 0.830 402 N CB -0.462 38.193 38.487 0.281 0.000 1.008 402 N HN 0.130 nan 8.380 nan 0.000 0.481 403 N N 0.383 119.155 118.700 0.121 0.000 2.688 403 N HA -0.236 4.503 4.740 -0.000 0.000 0.258 403 N C -1.370 174.167 175.510 0.044 0.000 1.016 403 N CA 0.368 53.460 53.050 0.070 0.000 0.747 403 N CB -1.582 36.903 38.487 -0.004 0.000 0.895 403 N HN 0.150 nan 8.380 nan 0.000 0.543 404 F N 0.467 120.496 119.950 0.132 0.000 2.404 404 F HA 0.441 4.968 4.527 -0.001 0.000 0.339 404 F C -1.507 174.352 175.800 0.099 0.000 1.105 404 F CA -1.958 56.139 58.000 0.163 0.000 1.087 404 F CB 1.239 40.449 39.000 0.350 0.000 1.143 404 F HN 0.047 nan 8.300 nan 0.000 0.491 405 P HA 0.088 nan 4.420 nan 0.000 0.271 405 P C -1.151 176.186 177.300 0.062 0.000 1.226 405 P CA 0.294 63.269 63.100 -0.209 0.000 0.765 405 P CB 0.230 31.387 31.700 -0.905 0.000 0.835 406 F N 2.775 122.682 119.950 -0.071 0.000 2.651 406 F HA 0.299 4.826 4.527 -0.001 0.000 0.329 406 F C 0.561 176.290 175.800 -0.120 0.000 1.186 406 F CA -0.696 57.263 58.000 -0.069 0.000 1.046 406 F CB 2.051 40.995 39.000 -0.095 0.000 1.296 406 F HN 0.130 nan 8.300 nan 0.000 0.497 407 E N 3.184 122.747 120.200 -1.061 0.000 2.307 407 E HA 0.529 4.878 4.350 -0.000 0.000 0.195 407 E C 0.762 176.704 176.600 -1.096 0.000 0.975 407 E CA 1.086 56.922 56.400 -0.941 0.000 0.878 407 E CB 0.582 29.614 29.700 -1.114 0.000 0.845 407 E HN 1.051 nan 8.360 nan 0.000 0.488 408 G N -1.080 106.781 108.800 -1.565 0.000 2.291 408 G HA2 0.129 4.088 3.960 -0.000 0.000 0.249 408 G HA3 0.129 4.088 3.960 -0.000 0.000 0.249 408 G C -1.621 173.129 174.900 -0.251 0.000 1.340 408 G CA -0.544 44.127 45.100 -0.715 0.000 1.017 408 G HN 0.048 nan 8.290 nan 0.000 0.470 409 L N 0.052 121.390 121.223 0.191 0.000 2.333 409 L HA 0.810 5.150 4.340 -0.000 0.000 0.263 409 L C 0.342 177.263 176.870 0.085 0.000 1.014 409 L CA -0.820 54.142 54.840 0.205 0.000 0.820 409 L CB 2.443 44.647 42.059 0.241 0.000 1.352 409 L HN 1.115 nan 8.230 nan 0.000 0.421 410 A N 1.851 124.625 122.820 -0.076 0.000 2.540 410 A HA 0.576 4.895 4.320 -0.000 0.000 0.340 410 A C -0.506 177.035 177.584 -0.073 0.000 1.424 410 A CA -0.433 51.388 52.037 -0.361 0.000 0.940 410 A CB 0.161 18.574 19.000 -0.979 0.000 1.149 410 A HN 0.367 nan 8.150 nan 0.000 0.505 411 V N 3.871 123.858 119.914 0.122 0.000 2.397 411 V HA 0.030 4.149 4.120 -0.000 0.000 0.262 411 V C 0.620 176.855 176.094 0.235 0.000 1.047 411 V CA -0.131 62.278 62.300 0.183 0.000 1.003 411 V CB 0.163 32.065 31.823 0.132 0.000 1.037 411 V HN 0.838 nan 8.190 nan 0.000 0.480 412 D N 3.058 123.611 120.400 0.254 0.000 2.380 412 D HA 0.071 4.710 4.640 -0.000 0.000 0.254 412 D C 1.369 177.615 176.300 -0.091 0.000 1.288 412 D CA 0.034 54.126 54.000 0.154 0.000 1.008 412 D CB 1.641 42.582 40.800 0.235 0.000 1.099 412 D HN 0.375 nan 8.370 nan 0.000 0.537 413 V N -1.071 118.700 119.914 -0.238 0.000 3.383 413 V HA -0.116 4.004 4.120 -0.000 0.000 0.272 413 V C 1.212 177.210 176.094 -0.160 0.000 1.181 413 V CA 1.123 63.280 62.300 -0.239 0.000 1.171 413 V CB -0.563 31.082 31.823 -0.297 0.000 0.800 413 V HN 0.357 nan 8.190 nan 0.000 0.515 414 D N 1.922 122.281 120.400 -0.069 0.000 2.228 414 D HA -0.267 4.373 4.640 -0.000 0.000 0.203 414 D C 2.046 178.161 176.300 -0.309 0.000 0.988 414 D CA 2.231 56.203 54.000 -0.046 0.000 0.864 414 D CB -0.076 40.791 40.800 0.113 0.000 0.928 414 D HN 0.755 nan 8.370 nan 0.000 0.469 415 M N -0.274 118.921 119.600 -0.674 0.000 2.476 415 M HA 0.049 4.529 4.480 -0.000 0.000 0.262 415 M C 0.847 176.840 176.300 -0.512 0.000 1.111 415 M CA 0.319 54.856 55.300 -1.272 0.000 1.127 415 M CB 0.079 31.723 32.600 -1.593 0.000 1.376 415 M HN -0.292 nan 8.290 nan 0.000 0.465 416 Q N 2.405 122.025 119.800 -0.300 0.000 2.479 416 Q HA -0.022 4.318 4.340 -0.000 0.000 0.267 416 Q C -0.549 175.393 176.000 -0.097 0.000 1.071 416 Q CA 0.120 55.830 55.803 -0.155 0.000 0.935 416 Q CB 0.287 28.943 28.738 -0.137 0.000 1.295 416 Q HN 0.248 nan 8.270 nan 0.000 0.476 417 D N 2.094 122.462 120.400 -0.054 0.000 2.344 417 D HA -0.059 4.581 4.640 -0.000 0.000 0.253 417 D C -0.364 175.887 176.300 -0.083 0.000 1.255 417 D CA 0.197 54.172 54.000 -0.042 0.000 0.894 417 D CB -0.077 40.713 40.800 -0.017 0.000 1.067 417 D HN 0.440 nan 8.370 nan 0.000 0.492 418 N N 4.784 123.445 118.700 -0.066 0.000 2.691 418 N HA -0.231 4.509 4.740 -0.000 0.000 0.277 418 N C 0.307 175.749 175.510 -0.112 0.000 1.029 418 N CA 0.577 53.581 53.050 -0.075 0.000 0.798 418 N CB -0.398 38.045 38.487 -0.073 0.000 0.922 418 N HN 0.735 nan 8.380 nan 0.000 0.562 419 L N -2.320 118.848 121.223 -0.092 0.000 4.367 419 L HA -0.320 4.020 4.340 -0.000 0.000 0.424 419 L C 0.382 177.158 176.870 -0.157 0.000 1.152 419 L CA 1.119 55.904 54.840 -0.091 0.000 0.974 419 L CB -1.036 40.989 42.059 -0.057 0.000 2.012 419 L HN 0.398 nan 8.230 nan 0.000 0.922 420 R N 0.540 120.905 120.500 -0.224 0.000 2.272 420 R HA 0.374 4.714 4.340 -0.000 0.000 0.334 420 R C 0.231 176.495 176.300 -0.060 0.000 1.117 420 R CA -0.210 55.682 56.100 -0.347 0.000 0.966 420 R CB 1.152 31.104 30.300 -0.579 0.000 1.049 420 R HN 0.083 nan 8.270 nan 0.000 0.477 421 V N 4.946 124.865 119.914 0.009 0.000 2.788 421 V HA -0.084 4.036 4.120 -0.000 0.000 0.307 421 V C 0.337 176.441 176.094 0.018 0.000 1.069 421 V CA 0.976 63.213 62.300 -0.104 0.000 1.173 421 V CB -0.324 31.370 31.823 -0.216 0.000 0.925 421 V HN 0.942 nan 8.190 nan 0.000 0.492 422 F N 1.903 121.809 119.950 -0.074 0.000 2.411 422 F HA -0.176 4.350 4.527 -0.000 0.000 0.393 422 F C 0.805 176.581 175.800 -0.041 0.000 0.576 422 F CA 1.160 59.071 58.000 -0.148 0.000 1.609 422 F CB -2.368 36.486 39.000 -0.244 0.000 2.186 422 F HN 0.878 nan 8.300 nan 0.000 0.274 423 T N -2.113 112.538 114.554 0.161 0.000 2.905 423 T HA 0.845 5.194 4.350 -0.000 0.000 0.283 423 T C 0.192 174.946 174.700 0.091 0.000 1.031 423 T CA 0.093 62.277 62.100 0.140 0.000 1.002 423 T CB 2.783 71.738 68.868 0.146 0.000 1.200 423 T HN 0.380 nan 8.240 nan 0.000 0.560 424 T N -1.590 113.047 114.554 0.138 0.000 2.901 424 T HA 0.702 5.052 4.350 -0.000 0.000 0.293 424 T C -0.946 173.852 174.700 0.163 0.000 1.084 424 T CA -1.166 61.020 62.100 0.144 0.000 1.008 424 T CB 1.815 70.883 68.868 0.334 0.000 1.170 424 T HN 1.072 nan 8.240 nan 0.000 0.509 425 K N 0.040 120.536 120.400 0.159 0.000 2.208 425 K HA 0.641 4.960 4.320 -0.000 0.000 0.247 425 K C 1.434 178.194 176.600 0.268 0.000 0.953 425 K CA -0.700 55.681 56.287 0.155 0.000 0.837 425 K CB 1.364 33.924 32.500 0.099 0.000 1.131 425 K HN 0.698 nan 8.250 nan 0.000 0.431 426 G N 2.011 110.889 108.800 0.130 0.000 2.597 426 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.222 426 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.222 426 G C 1.019 176.027 174.900 0.180 0.000 1.135 426 G CA 1.310 46.462 45.100 0.086 0.000 0.759 426 G HN 0.858 nan 8.290 nan 0.000 0.595 427 E N -0.304 119.997 120.200 0.168 0.000 2.219 427 E HA -0.088 4.261 4.350 -0.000 0.000 0.198 427 E C 1.360 177.979 176.600 0.030 0.000 0.998 427 E CA 0.701 57.154 56.400 0.089 0.000 0.818 427 E CB -0.281 29.487 29.700 0.112 0.000 0.741 427 E HN 0.602 nan 8.360 nan 0.000 0.477 428 F N -1.094 118.903 119.950 0.078 0.000 2.713 428 F HA 0.204 4.730 4.527 -0.001 0.000 0.294 428 F C -0.320 175.372 175.800 -0.180 0.000 1.152 428 F CA -0.475 57.479 58.000 -0.077 0.000 1.385 428 F CB 0.211 39.111 39.000 -0.166 0.000 0.981 428 F HN -0.095 nan 8.300 nan 0.000 0.514 429 W N -0.880 120.409 121.300 -0.019 0.000 2.882 429 W HA 0.288 4.948 4.660 -0.000 0.000 0.345 429 W C 1.502 177.999 176.519 -0.037 0.000 1.125 429 W CA -0.888 56.445 57.345 -0.020 0.000 1.167 429 W CB 0.767 30.233 29.460 0.009 0.000 1.431 429 W HN -0.188 nan 8.180 nan 0.000 0.543 430 T N -1.793 112.884 114.554 0.205 0.000 3.072 430 T HA 0.049 4.399 4.350 -0.000 0.000 0.266 430 T C 0.979 175.816 174.700 0.229 0.000 1.127 430 T CA 1.332 63.514 62.100 0.136 0.000 1.107 430 T CB -0.082 68.864 68.868 0.129 0.000 0.910 430 T HN 0.447 nan 8.240 nan 0.000 0.513 431 A N 0.526 123.480 122.820 0.222 0.000 2.538 431 A HA 0.502 4.822 4.320 -0.000 0.000 0.269 431 A C 1.051 178.621 177.584 -0.023 0.000 1.231 431 A CA 0.210 52.329 52.037 0.136 0.000 0.948 431 A CB -0.379 18.681 19.000 0.100 0.000 1.110 431 A HN 0.412 nan 8.150 nan 0.000 0.529 432 N N -0.247 118.415 118.700 -0.063 0.000 2.909 432 N HA -0.180 4.559 4.740 -0.000 0.000 0.242 432 N C 0.070 175.489 175.510 -0.152 0.000 0.975 432 N CA 1.725 54.617 53.050 -0.263 0.000 0.921 432 N CB -1.097 36.972 38.487 -0.698 0.000 1.112 432 N HN 0.915 nan 8.380 nan 0.000 0.581 433 R N -1.918 118.496 120.500 -0.144 0.000 2.867 433 R HA 0.694 5.034 4.340 -0.000 0.000 0.268 433 R C -0.618 175.338 176.300 -0.573 0.000 1.014 433 R CA -0.866 55.088 56.100 -0.245 0.000 0.946 433 R CB 1.044 31.225 30.300 -0.199 0.000 1.208 433 R HN -0.140 nan 8.270 nan 0.000 0.477 434 V N 2.197 121.753 119.914 -0.596 0.000 2.439 434 V HA 0.309 4.429 4.120 -0.000 0.000 0.271 434 V C 0.767 176.277 176.094 -0.974 0.000 1.040 434 V CA 0.567 62.282 62.300 -0.976 0.000 1.002 434 V CB 0.644 32.229 31.823 -0.396 0.000 1.000 434 V HN 0.890 nan 8.190 nan 0.000 0.477 435 G N 3.292 111.077 108.800 -1.692 0.000 2.568 435 G HA2 0.484 4.444 3.960 -0.000 0.000 0.293 435 G HA3 0.484 4.444 3.960 -0.000 0.000 0.293 435 G C 0.705 175.359 174.900 -0.410 0.000 1.347 435 G CA 0.322 44.917 45.100 -0.841 0.000 1.039 435 G HN 0.691 nan 8.290 nan 0.000 0.523 436 T N -3.520 111.000 114.554 -0.056 0.000 3.085 436 T HA 0.511 4.861 4.350 -0.000 0.000 0.264 436 T C 0.949 175.797 174.700 0.246 0.000 1.019 436 T CA 0.753 62.920 62.100 0.110 0.000 0.910 436 T CB -0.158 68.743 68.868 0.054 0.000 1.059 436 T HN 2.253 nan 8.240 nan 0.000 0.542 437 G N -0.140 108.879 108.800 0.365 0.000 2.690 437 G HA2 0.394 4.353 3.960 -0.000 0.000 0.686 437 G HA3 0.394 4.353 3.960 -0.000 0.000 0.686 437 G C 0.569 175.611 174.900 0.235 0.000 1.277 437 G CA -0.187 45.131 45.100 0.363 0.000 0.799 437 G HN 1.590 nan 8.290 nan 0.000 0.613 438 G N -0.383 108.547 108.800 0.217 0.000 2.153 438 G HA2 0.012 3.971 3.960 -0.000 0.000 0.252 438 G HA3 0.012 3.971 3.960 -0.000 0.000 0.252 438 G C 0.193 175.182 174.900 0.149 0.000 0.994 438 G CA 1.368 46.565 45.100 0.161 0.000 0.698 438 G HN 1.908 nan 8.290 nan 0.000 0.521 439 D N 0.203 120.714 120.400 0.186 0.000 2.373 439 D HA 0.479 5.119 4.640 -0.000 0.000 0.227 439 D C -0.433 175.969 176.300 0.169 0.000 1.091 439 D CA -2.221 51.873 54.000 0.158 0.000 0.840 439 D CB 1.499 42.391 40.800 0.154 0.000 1.060 439 D HN 0.122 nan 8.370 nan 0.000 0.502 440 P HA 0.003 nan 4.420 nan 0.000 0.233 440 P C 0.260 177.639 177.300 0.132 0.000 1.167 440 P CA 0.350 63.527 63.100 0.128 0.000 0.770 440 P CB 0.553 32.311 31.700 0.096 0.000 0.837 441 N N -0.296 118.481 118.700 0.127 0.000 2.236 441 N HA 0.026 4.766 4.740 -0.000 0.000 0.196 441 N C -0.022 175.576 175.510 0.148 0.000 1.114 441 N CA 0.316 53.438 53.050 0.120 0.000 0.859 441 N CB -0.084 38.455 38.487 0.086 0.000 0.982 441 N HN 0.113 nan 8.380 nan 0.000 0.493 442 N N 0.737 119.557 118.700 0.199 0.000 2.732 442 N HA 0.156 4.895 4.740 -0.000 0.000 0.247 442 N C -1.419 174.362 175.510 0.451 0.000 1.305 442 N CA -0.264 52.956 53.050 0.284 0.000 0.762 442 N CB 0.544 39.157 38.487 0.209 0.000 1.361 442 N HN -0.135 nan 8.380 nan 0.000 0.545 443 R N 0.904 121.618 120.500 0.357 0.000 2.312 443 R HA 0.408 4.747 4.340 -0.000 0.000 0.311 443 R C 0.557 176.880 176.300 0.039 0.000 1.004 443 R CA -0.619 55.641 56.100 0.267 0.000 0.902 443 R CB 0.973 31.426 30.300 0.255 0.000 1.073 443 R HN 0.618 nan 8.270 nan 0.000 0.457 444 S N 1.194 116.580 115.700 -0.524 0.000 2.580 444 S HA -0.068 4.402 4.470 -0.000 0.000 0.261 444 S C 1.406 175.684 174.600 -0.536 0.000 1.366 444 S CA -0.586 56.856 58.200 -1.264 0.000 0.996 444 S CB 1.044 63.364 63.200 -1.467 0.000 0.902 444 S HN 0.480 nan 8.310 nan 0.000 0.566 445 V N 1.118 120.657 119.914 -0.625 0.000 2.453 445 V HA -0.153 3.967 4.120 -0.000 0.000 0.252 445 V C 1.634 177.588 176.094 -0.233 0.000 1.068 445 V CA 2.056 64.121 62.300 -0.392 0.000 1.070 445 V CB -1.100 30.447 31.823 -0.460 0.000 0.664 445 V HN 0.806 nan 8.190 nan 0.000 0.461 446 F N 0.665 120.526 119.950 -0.148 0.000 2.118 446 F HA 0.074 4.601 4.527 -0.001 0.000 0.293 446 F C 2.402 178.006 175.800 -0.327 0.000 1.102 446 F CA 1.657 59.530 58.000 -0.213 0.000 1.247 446 F CB -1.098 37.778 39.000 -0.206 0.000 1.017 446 F HN 0.170 nan 8.300 nan 0.000 0.475 447 E N -0.763 119.434 120.200 -0.005 0.000 2.058 447 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 447 E C 1.973 178.655 176.600 0.136 0.000 0.997 447 E CA 1.767 58.209 56.400 0.071 0.000 0.801 447 E CB -0.538 29.242 29.700 0.134 0.000 0.746 447 E HN 0.482 nan 8.360 nan 0.000 0.450 448 W N 1.273 122.554 121.300 -0.032 0.000 2.318 448 W HA -0.278 4.382 4.660 -0.001 0.000 0.313 448 W C 2.348 178.887 176.519 0.033 0.000 1.221 448 W CA 2.290 59.636 57.345 0.002 0.000 1.266 448 W CB -0.402 29.035 29.460 -0.038 0.000 1.150 448 W HN 0.075 nan 8.180 nan 0.000 0.496 449 A N -0.623 122.347 122.820 0.251 0.000 1.917 449 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 449 A C 1.693 179.311 177.584 0.056 0.000 1.182 449 A CA 2.122 54.240 52.037 0.136 0.000 0.633 449 A CB -1.422 17.705 19.000 0.213 0.000 0.819 449 A HN 0.656 nan 8.150 nan 0.000 0.448 450 H N -1.025 118.078 119.070 0.056 0.000 2.321 450 H HA -0.119 4.437 4.556 -0.001 0.000 0.300 450 H C 1.437 176.738 175.328 -0.045 0.000 1.087 450 H CA 0.932 56.999 56.048 0.032 0.000 1.319 450 H CB 0.066 29.874 29.762 0.077 0.000 1.379 450 H HN 0.418 nan 8.280 nan 0.000 0.501 451 D N 0.348 120.763 120.400 0.024 0.000 2.264 451 D HA -0.087 4.553 4.640 -0.000 0.000 0.208 451 D C 1.683 177.874 176.300 -0.181 0.000 0.966 451 D CA 0.690 54.641 54.000 -0.082 0.000 0.864 451 D CB 0.069 40.802 40.800 -0.112 0.000 0.933 451 D HN 0.162 nan 8.370 nan 0.000 0.499 452 K N -0.098 120.122 120.400 -0.299 0.000 2.487 452 K HA 0.061 4.381 4.320 -0.000 0.000 0.192 452 K C 1.008 177.551 176.600 -0.095 0.000 1.027 452 K CA 0.347 56.463 56.287 -0.285 0.000 1.054 452 K CB 0.358 32.567 32.500 -0.484 0.000 0.824 452 K HN 0.186 nan 8.250 nan 0.000 0.510 453 G N 1.241 110.022 108.800 -0.032 0.000 2.149 453 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 453 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 453 G C -0.061 174.859 174.900 0.032 0.000 1.018 453 G CA 0.145 45.259 45.100 0.024 0.000 0.728 453 G HN 0.211 nan 8.290 nan 0.000 0.508 454 L N -0.851 120.396 121.223 0.041 0.000 2.286 454 L HA 0.921 5.261 4.340 -0.000 0.000 0.265 454 L C 0.767 177.688 176.870 0.085 0.000 1.012 454 L CA -1.468 53.365 54.840 -0.012 0.000 0.818 454 L CB 1.914 43.948 42.059 -0.042 0.000 1.337 454 L HN 0.284 nan 8.230 nan 0.000 0.438 455 V N -2.806 117.092 119.914 -0.026 0.000 3.074 455 V HA 0.785 4.905 4.120 -0.000 0.000 0.314 455 V C -0.723 175.482 176.094 0.185 0.000 1.117 455 V CA -0.783 61.531 62.300 0.024 0.000 1.014 455 V CB 1.739 33.289 31.823 -0.454 0.000 1.057 455 V HN 0.877 nan 8.190 nan 0.000 0.438 456 C N 1.906 121.337 119.300 0.219 0.000 2.994 456 C HA 0.831 5.291 4.460 -0.000 0.000 0.304 456 C C -0.426 174.548 174.990 -0.027 0.000 1.273 456 C CA -0.573 58.581 59.018 0.227 0.000 1.537 456 C CB 1.826 29.807 27.740 0.402 0.000 2.001 456 C HN 1.151 nan 8.230 nan 0.000 0.471 457 Q N 0.243 119.874 119.800 -0.282 0.000 2.416 457 Q HA 0.877 5.217 4.340 -0.000 0.000 0.279 457 Q C -1.206 174.737 176.000 -0.095 0.000 1.101 457 Q CA -0.369 55.093 55.803 -0.569 0.000 0.830 457 Q CB 1.973 29.926 28.738 -1.308 0.000 1.402 457 Q HN 0.608 nan 8.270 nan 0.000 0.445 458 T N 1.195 115.752 114.554 0.004 0.000 2.912 458 T HA 0.287 4.637 4.350 -0.000 0.000 0.299 458 T C -0.873 173.883 174.700 0.094 0.000 1.052 458 T CA -0.735 61.471 62.100 0.175 0.000 0.996 458 T CB 1.323 70.311 68.868 0.200 0.000 1.070 458 T HN 0.628 nan 8.240 nan 0.000 0.465 459 N N 3.220 121.882 118.700 -0.063 0.000 2.411 459 N HA 0.038 4.778 4.740 -0.000 0.000 0.261 459 N C -0.951 174.333 175.510 -0.376 0.000 1.248 459 N CA 0.452 53.141 53.050 -0.603 0.000 0.885 459 N CB 0.211 38.136 38.487 -0.937 0.000 1.062 459 N HN 0.416 nan 8.380 nan 0.000 0.471 460 I N 2.906 123.286 120.570 -0.317 0.000 2.468 460 I HA 0.136 4.306 4.170 -0.000 0.000 0.285 460 I C 0.668 176.745 176.117 -0.067 0.000 1.039 460 I CA -0.555 60.601 61.300 -0.240 0.000 1.074 460 I CB 1.096 38.975 38.000 -0.201 0.000 1.228 460 I HN 0.440 nan 8.210 nan 0.000 0.436 461 T N 1.164 115.715 114.554 -0.005 0.000 2.948 461 T HA 0.308 4.658 4.350 -0.000 0.000 0.285 461 T C 0.841 175.741 174.700 0.333 0.000 1.019 461 T CA -0.681 61.536 62.100 0.195 0.000 1.013 461 T CB 1.816 70.868 68.868 0.306 0.000 1.117 461 T HN 0.734 nan 8.240 nan 0.000 0.533 462 C N 0.148 119.627 119.300 0.298 0.000 2.396 462 C HA 0.544 5.003 4.460 -0.000 0.000 0.334 462 C C 0.000 175.081 174.990 0.152 0.000 1.313 462 C CA -1.249 57.879 59.018 0.184 0.000 1.719 462 C CB -2.706 25.036 27.740 0.002 0.000 1.893 462 C HN 0.611 nan 8.230 nan 0.000 0.589 463 F N 2.376 122.419 119.950 0.155 0.000 2.390 463 F HA 0.492 5.019 4.527 -0.001 0.000 0.361 463 F C 0.205 176.007 175.800 0.004 0.000 1.124 463 F CA -0.663 57.339 58.000 0.003 0.000 1.149 463 F CB 0.901 39.899 39.000 -0.002 0.000 1.160 463 F HN 0.016 nan 8.300 nan 0.000 0.501 464 L N 4.880 126.147 121.223 0.073 0.000 2.272 464 L HA 0.345 4.685 4.340 -0.000 0.000 0.284 464 L C 0.523 177.508 176.870 0.191 0.000 1.045 464 L CA -0.507 54.487 54.840 0.258 0.000 0.842 464 L CB 0.453 42.684 42.059 0.287 0.000 1.224 464 L HN 0.590 nan 8.230 nan 0.000 0.430 465 R N 1.714 122.308 120.500 0.157 0.000 2.566 465 R HA -0.158 4.182 4.340 -0.000 0.000 0.273 465 R C 0.810 177.133 176.300 0.038 0.000 0.981 465 R CA 0.582 56.669 56.100 -0.022 0.000 1.091 465 R CB 0.594 30.760 30.300 -0.223 0.000 0.924 465 R HN 0.620 nan 8.270 nan 0.000 0.411 466 N N 0.902 119.593 118.700 -0.015 0.000 2.516 466 N HA -0.067 4.673 4.740 -0.000 0.000 0.197 466 N C -0.834 174.672 175.510 -0.007 0.000 1.064 466 N CA 0.269 53.314 53.050 -0.008 0.000 0.866 466 N CB 0.437 38.892 38.487 -0.053 0.000 1.255 466 N HN 0.636 nan 8.380 nan 0.000 0.447 467 D N 0.346 120.738 120.400 -0.014 0.000 2.508 467 D HA 0.061 4.701 4.640 -0.000 0.000 0.224 467 D C -0.426 175.861 176.300 -0.022 0.000 1.171 467 D CA -0.122 53.873 54.000 -0.009 0.000 1.006 467 D CB -0.067 40.737 40.800 0.006 0.000 1.073 467 D HN 0.171 nan 8.370 nan 0.000 0.513 468 N N 1.665 120.358 118.700 -0.011 0.000 2.236 468 N HA -0.050 4.689 4.740 -0.000 0.000 0.196 468 N C -0.270 175.236 175.510 -0.008 0.000 1.114 468 N CA -0.108 52.932 53.050 -0.018 0.000 0.859 468 N CB 0.334 38.831 38.487 0.017 0.000 0.982 468 N HN 0.525 nan 8.380 nan 0.000 0.493 469 E N -0.151 120.047 120.200 -0.004 0.000 2.320 469 E HA -0.236 4.114 4.350 -0.000 0.000 0.234 469 E C 0.822 177.423 176.600 0.001 0.000 1.183 469 E CA 0.207 56.605 56.400 -0.003 0.000 0.713 469 E CB -1.714 27.982 29.700 -0.007 0.000 1.226 469 E HN 0.494 nan 8.360 nan 0.000 0.382 470 G N -0.727 108.077 108.800 0.007 0.000 2.377 470 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.250 470 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.250 470 G C 0.428 175.339 174.900 0.017 0.000 1.039 470 G CA 0.693 45.799 45.100 0.010 0.000 0.625 470 G HN 0.307 nan 8.290 nan 0.000 0.526 471 Q N 1.490 121.300 119.800 0.016 0.000 2.428 471 Q HA 0.241 4.580 4.340 -0.000 0.000 0.276 471 Q C -0.330 175.701 176.000 0.051 0.000 1.059 471 Q CA 0.446 56.263 55.803 0.023 0.000 0.923 471 Q CB 0.456 29.200 28.738 0.010 0.000 1.283 471 Q HN 0.491 nan 8.270 nan 0.000 0.447 472 D N 1.390 121.827 120.400 0.062 0.000 2.249 472 D HA 0.161 4.801 4.640 -0.000 0.000 0.246 472 D C -0.865 175.540 176.300 0.175 0.000 1.114 472 D CA -0.063 53.991 54.000 0.091 0.000 0.854 472 D CB 0.570 41.403 40.800 0.055 0.000 1.132 472 D HN 0.341 nan 8.370 nan 0.000 0.461 473 Y N 2.945 123.255 120.300 0.016 0.000 2.594 473 Y HA 0.067 4.616 4.550 -0.001 0.000 0.338 473 Y C 1.142 177.068 175.900 0.044 0.000 1.019 473 Y CA -0.843 57.274 58.100 0.029 0.000 1.306 473 Y CB 0.611 39.089 38.460 0.030 0.000 1.094 473 Y HN 0.365 nan 8.280 nan 0.000 0.534 474 E N 2.398 122.537 120.200 -0.102 0.000 2.171 474 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 474 E C 1.069 177.526 176.600 -0.238 0.000 0.997 474 E CA 1.801 58.120 56.400 -0.135 0.000 0.810 474 E CB 0.383 30.036 29.700 -0.078 0.000 0.738 474 E HN 0.600 nan 8.360 nan 0.000 0.467 475 V N 2.301 121.888 119.914 -0.544 0.000 2.307 475 V HA -0.242 3.877 4.120 -0.000 0.000 0.245 475 V C 2.602 178.603 176.094 -0.154 0.000 1.045 475 V CA 1.981 64.054 62.300 -0.379 0.000 1.024 475 V CB -0.837 30.705 31.823 -0.468 0.000 0.651 475 V HN 0.380 nan 8.190 nan 0.000 0.449 476 N N -0.183 118.230 118.700 -0.478 0.000 2.188 476 N HA -0.208 4.531 4.740 -0.000 0.000 0.184 476 N C 1.974 177.468 175.510 -0.026 0.000 1.018 476 N CA 1.327 54.341 53.050 -0.061 0.000 0.858 476 N CB -0.123 38.481 38.487 0.196 0.000 0.989 476 N HN 0.422 nan 8.380 nan 0.000 0.426 477 Q N 0.805 120.575 119.800 -0.051 0.000 2.002 477 Q HA -0.133 4.207 4.340 -0.000 0.000 0.204 477 Q C 1.976 177.973 176.000 -0.005 0.000 0.988 477 Q CA 2.594 58.389 55.803 -0.013 0.000 0.843 477 Q CB -0.977 27.754 28.738 -0.013 0.000 0.908 477 Q HN 0.636 nan 8.270 nan 0.000 0.420 478 T N -0.303 114.267 114.554 0.027 0.000 2.803 478 T HA -0.181 4.168 4.350 -0.000 0.000 0.269 478 T C 1.964 176.597 174.700 -0.111 0.000 1.052 478 T CA 1.335 63.466 62.100 0.050 0.000 1.136 478 T CB -0.538 68.480 68.868 0.249 0.000 0.864 478 T HN 0.211 nan 8.240 nan 0.000 0.467 479 L N 1.215 122.331 121.223 -0.177 0.000 2.083 479 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 479 L C 2.682 179.476 176.870 -0.126 0.000 1.083 479 L CA 1.564 56.143 54.840 -0.435 0.000 0.752 479 L CB -0.422 41.415 42.059 -0.370 0.000 0.899 479 L HN 0.166 nan 8.230 nan 0.000 0.433 480 R N -0.909 119.594 120.500 0.006 0.000 2.062 480 R HA -0.063 4.276 4.340 -0.000 0.000 0.229 480 R C 2.125 178.467 176.300 0.071 0.000 1.128 480 R CA 1.031 57.218 56.100 0.145 0.000 0.960 480 R CB -0.551 29.771 30.300 0.038 0.000 0.855 480 R HN 0.309 nan 8.270 nan 0.000 0.432 481 E N 1.096 121.293 120.200 -0.004 0.000 2.086 481 E HA -0.241 4.109 4.350 -0.000 0.000 0.205 481 E C 1.864 178.432 176.600 -0.054 0.000 1.027 481 E CA 1.629 58.016 56.400 -0.021 0.000 0.830 481 E CB -0.080 29.605 29.700 -0.025 0.000 0.751 481 E HN 0.380 nan 8.360 nan 0.000 0.456 482 R N -0.157 120.276 120.500 -0.111 0.000 2.312 482 R HA 0.106 4.446 4.340 -0.000 0.000 0.205 482 R C 0.257 176.423 176.300 -0.223 0.000 0.904 482 R CA -0.002 56.007 56.100 -0.152 0.000 1.052 482 R CB 0.257 30.448 30.300 -0.181 0.000 1.014 482 R HN 0.186 nan 8.270 nan 0.000 0.503 483 Q N 0.521 120.166 119.800 -0.257 0.000 2.463 483 Q HA -0.163 4.176 4.340 -0.000 0.000 0.299 483 Q C -0.143 175.451 176.000 -0.678 0.000 1.353 483 Q CA 0.273 55.749 55.803 -0.545 0.000 0.828 483 Q CB -1.586 26.901 28.738 -0.420 0.000 1.157 483 Q HN 0.420 nan 8.270 nan 0.000 0.436 484 L N 0.386 121.271 121.223 -0.563 0.000 2.728 484 L HA 0.175 4.515 4.340 -0.000 0.000 0.235 484 L C 0.408 177.011 176.870 -0.445 0.000 1.197 484 L CA -0.243 54.298 54.840 -0.498 0.000 0.992 484 L CB -0.260 41.442 42.059 -0.595 0.000 1.263 484 L HN 0.299 nan 8.230 nan 0.000 0.484 485 Y N -3.140 117.003 120.300 -0.262 0.000 2.419 485 Y HA 0.552 5.102 4.550 -0.001 0.000 0.328 485 Y C 0.619 176.437 175.900 -0.138 0.000 1.162 485 Y CA -1.358 56.617 58.100 -0.208 0.000 1.174 485 Y CB 0.214 38.578 38.460 -0.159 0.000 1.228 485 Y HN -0.214 nan 8.280 nan 0.000 0.473 486 T N 3.626 118.248 114.554 0.114 0.000 2.930 486 T HA 0.181 4.530 4.350 -0.000 0.000 0.306 486 T C -0.272 174.559 174.700 0.218 0.000 1.045 486 T CA -0.339 61.783 62.100 0.038 0.000 1.134 486 T CB 0.188 69.037 68.868 -0.033 0.000 0.961 486 T HN 0.545 nan 8.240 nan 0.000 0.545 487 K N 1.909 122.378 120.400 0.115 0.000 2.238 487 K HA 0.290 4.610 4.320 -0.000 0.000 0.239 487 K C 0.669 177.374 176.600 0.174 0.000 0.987 487 K CA -1.006 55.400 56.287 0.198 0.000 0.857 487 K CB 0.774 33.357 32.500 0.138 0.000 1.154 487 K HN 0.515 nan 8.250 nan 0.000 0.439 488 N N 0.569 119.397 118.700 0.213 0.000 2.466 488 N HA -0.036 4.704 4.740 -0.000 0.000 0.211 488 N C -0.823 174.904 175.510 0.361 0.000 1.256 488 N CA 0.230 53.481 53.050 0.335 0.000 0.840 488 N CB -0.227 38.415 38.487 0.258 0.000 1.079 488 N HN 0.339 nan 8.380 nan 0.000 0.466 489 D N 0.199 120.742 120.400 0.238 0.000 2.264 489 D HA 0.390 5.030 4.640 -0.000 0.000 0.249 489 D C -0.006 176.424 176.300 0.216 0.000 1.070 489 D CA -0.093 54.005 54.000 0.162 0.000 0.912 489 D CB 1.468 42.311 40.800 0.073 0.000 1.193 489 D HN 0.386 nan 8.370 nan 0.000 0.427 490 S N -0.247 115.522 115.700 0.116 0.000 2.537 490 S HA 0.278 4.747 4.470 -0.000 0.000 0.271 490 S C 0.318 174.925 174.600 0.011 0.000 1.148 490 S CA -0.832 57.413 58.200 0.076 0.000 0.868 490 S CB 0.601 63.826 63.200 0.041 0.000 1.115 490 S HN 0.302 nan 8.310 nan 0.000 0.461 491 L N 1.422 122.658 121.223 0.021 0.000 2.622 491 L HA 0.095 4.434 4.340 -0.000 0.000 0.233 491 L C 1.817 178.713 176.870 0.042 0.000 1.156 491 L CA 1.128 56.001 54.840 0.055 0.000 0.866 491 L CB -0.758 41.380 42.059 0.130 0.000 0.980 491 L HN 1.013 nan 8.230 nan 0.000 0.448 492 T N -5.524 109.018 114.554 -0.020 0.000 3.043 492 T HA 0.284 4.633 4.350 -0.000 0.000 0.272 492 T C 1.287 175.941 174.700 -0.077 0.000 0.990 492 T CA 0.271 62.352 62.100 -0.032 0.000 0.897 492 T CB 0.850 69.673 68.868 -0.074 0.000 1.111 492 T HN 0.255 nan 8.240 nan 0.000 0.529 493 G N 1.934 110.673 108.800 -0.102 0.000 2.221 493 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.265 493 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.265 493 G C 0.032 174.798 174.900 -0.224 0.000 1.041 493 G CA 0.220 45.241 45.100 -0.132 0.000 0.807 493 G HN 0.646 nan 8.290 nan 0.000 0.502 494 T N 1.056 115.397 114.554 -0.355 0.000 2.779 494 T HA 0.332 4.682 4.350 -0.000 0.000 0.296 494 T C 0.231 174.458 174.700 -0.788 0.000 0.938 494 T CA 0.103 61.889 62.100 -0.523 0.000 1.119 494 T CB 1.355 69.874 68.868 -0.581 0.000 0.891 494 T HN 0.347 nan 8.240 nan 0.000 0.526 495 D N 2.975 123.067 120.400 -0.513 0.000 2.339 495 D HA 0.067 4.707 4.640 -0.000 0.000 0.241 495 D C 0.107 176.150 176.300 -0.428 0.000 1.183 495 D CA -0.439 53.307 54.000 -0.423 0.000 0.859 495 D CB 0.387 41.060 40.800 -0.212 0.000 1.067 495 D HN 0.352 nan 8.370 nan 0.000 0.484 496 F N 2.647 122.474 119.950 -0.205 0.000 2.780 496 F HA 0.230 4.757 4.527 -0.001 0.000 0.299 496 F C 1.789 177.429 175.800 -0.266 0.000 1.146 496 F CA 0.706 58.509 58.000 -0.327 0.000 1.428 496 F CB -0.270 38.497 39.000 -0.389 0.000 1.115 496 F HN 0.627 nan 8.300 nan 0.000 0.583 497 G N 0.506 109.292 108.800 -0.024 0.000 2.541 497 G HA2 0.200 4.159 3.960 -0.000 0.000 0.686 497 G HA3 0.200 4.159 3.960 -0.000 0.000 0.686 497 G C -1.370 173.500 174.900 -0.049 0.000 1.286 497 G CA -0.550 44.533 45.100 -0.029 0.000 0.894 497 G HN 0.103 nan 8.290 nan 0.000 0.575 498 M N -0.118 119.456 119.600 -0.042 0.000 2.603 498 M HA 0.791 5.270 4.480 -0.000 0.000 0.275 498 M C 0.205 176.482 176.300 -0.037 0.000 1.226 498 M CA 0.247 55.521 55.300 -0.044 0.000 0.870 498 M CB 1.606 34.184 32.600 -0.036 0.000 1.716 498 M HN 2.017 nan 8.290 nan 0.000 0.482 499 T N -2.314 112.217 114.554 -0.038 0.000 2.762 499 T HA 0.592 4.942 4.350 -0.000 0.000 0.272 499 T C -0.080 174.603 174.700 -0.029 0.000 0.982 499 T CA -0.528 61.554 62.100 -0.029 0.000 1.013 499 T CB 0.850 69.704 68.868 -0.024 0.000 1.309 499 T HN 0.575 nan 8.240 nan 0.000 0.572 500 D N 0.020 120.406 120.400 -0.023 0.000 2.355 500 D HA 0.062 4.702 4.640 -0.000 0.000 0.218 500 D C 1.051 177.336 176.300 -0.024 0.000 1.004 500 D CA 0.358 54.345 54.000 -0.021 0.000 0.880 500 D CB 0.046 40.837 40.800 -0.016 0.000 0.911 500 D HN 0.477 nan 8.370 nan 0.000 0.528 501 D N 0.356 120.739 120.400 -0.028 0.000 2.194 501 D HA 0.062 4.702 4.640 -0.000 0.000 0.204 501 D C 1.496 177.766 176.300 -0.048 0.000 0.964 501 D CA 0.995 54.976 54.000 -0.032 0.000 0.846 501 D CB 0.683 41.466 40.800 -0.029 0.000 0.962 501 D HN 0.220 nan 8.370 nan 0.000 0.490 502 G N 1.380 110.143 108.800 -0.062 0.000 2.681 502 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.220 502 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.220 502 G C -2.566 172.243 174.900 -0.152 0.000 1.353 502 G CA -0.568 44.480 45.100 -0.087 0.000 0.872 502 G HN 0.024 nan 8.290 nan 0.000 0.557 503 P HA 0.240 nan 4.420 nan 0.000 0.273 503 P C 1.261 178.502 177.300 -0.097 0.000 1.250 503 P CA 0.718 63.731 63.100 -0.145 0.000 0.793 503 P CB 0.780 32.375 31.700 -0.175 0.000 1.011 504 S N -0.656 115.019 115.700 -0.041 0.000 2.442 504 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 504 S C 0.886 175.486 174.600 -0.001 0.000 1.007 504 S CA 1.263 59.451 58.200 -0.020 0.000 0.965 504 S CB -0.921 62.275 63.200 -0.006 0.000 0.773 504 S HN 0.633 nan 8.310 nan 0.000 0.504 505 D N 0.870 121.283 120.400 0.022 0.000 2.593 505 D HA 0.488 5.128 4.640 -0.000 0.000 0.241 505 D C -0.075 176.300 176.300 0.125 0.000 1.257 505 D CA -0.330 53.718 54.000 0.081 0.000 0.828 505 D CB 0.144 41.012 40.800 0.114 0.000 1.049 505 D HN 0.414 nan 8.370 nan 0.000 0.490 506 A N 0.397 123.216 122.820 -0.001 0.000 2.337 506 A HA 0.463 4.783 4.320 -0.000 0.000 0.329 506 A C -1.054 176.565 177.584 0.057 0.000 1.146 506 A CA -0.879 51.134 52.037 -0.041 0.000 0.800 506 A CB 0.883 19.622 19.000 -0.434 0.000 1.220 506 A HN 0.287 nan 8.150 nan 0.000 0.472 507 Y N 2.137 122.471 120.300 0.056 0.000 2.632 507 Y HA 0.378 4.928 4.550 -0.001 0.000 0.329 507 Y C -0.289 175.671 175.900 0.099 0.000 1.174 507 Y CA 0.671 58.813 58.100 0.070 0.000 1.469 507 Y CB 0.155 38.672 38.460 0.095 0.000 1.242 507 Y HN 0.476 nan 8.280 nan 0.000 0.540 508 I N 7.083 127.589 120.570 -0.107 0.000 2.448 508 I HA 0.384 4.553 4.170 -0.000 0.000 0.281 508 I C 0.430 176.605 176.117 0.096 0.000 1.027 508 I CA -0.495 60.834 61.300 0.047 0.000 1.111 508 I CB 1.274 39.242 38.000 -0.052 0.000 1.236 508 I HN 0.753 nan 8.210 nan 0.000 0.452 509 G N 3.240 112.305 108.800 0.442 0.000 2.613 509 G HA2 0.512 4.472 3.960 -0.000 0.000 0.303 509 G HA3 0.512 4.472 3.960 -0.000 0.000 0.303 509 G C -1.585 173.531 174.900 0.361 0.000 1.312 509 G CA -0.257 45.134 45.100 0.485 0.000 1.036 509 G HN 0.577 nan 8.290 nan 0.000 0.513 510 H N -1.513 117.674 119.070 0.194 0.000 2.637 510 H HA 0.611 5.166 4.556 -0.001 0.000 0.363 510 H C -1.192 174.153 175.328 0.028 0.000 1.131 510 H CA -0.654 55.443 56.048 0.081 0.000 1.183 510 H CB 1.913 31.686 29.762 0.018 0.000 1.637 510 H HN 0.408 nan 8.280 nan 0.000 0.531 511 L N 3.219 124.160 121.223 -0.470 0.000 2.317 511 L HA 0.450 4.790 4.340 -0.000 0.000 0.281 511 L C -1.138 175.326 176.870 -0.677 0.000 1.024 511 L CA -0.233 54.184 54.840 -0.706 0.000 0.810 511 L CB 1.391 42.905 42.059 -0.908 0.000 1.240 511 L HN 0.753 nan 8.230 nan 0.000 0.427 512 D N 2.767 122.817 120.400 -0.584 0.000 2.337 512 D HA 0.168 4.808 4.640 -0.000 0.000 0.238 512 D C -0.487 175.682 176.300 -0.217 0.000 1.331 512 D CA -0.120 53.714 54.000 -0.277 0.000 0.967 512 D CB 0.331 41.111 40.800 -0.033 0.000 1.382 512 D HN 0.438 nan 8.370 nan 0.000 0.549 513 Y N 1.806 122.132 120.300 0.044 0.000 2.546 513 Y HA 0.403 4.953 4.550 -0.001 0.000 0.287 513 Y C 1.748 177.818 175.900 0.284 0.000 1.158 513 Y CA 0.707 58.919 58.100 0.187 0.000 1.307 513 Y CB 0.172 38.830 38.460 0.331 0.000 1.036 513 Y HN 0.562 nan 8.280 nan 0.000 0.532 514 G N -1.064 107.919 108.800 0.306 0.000 2.661 514 G HA2 0.213 4.173 3.960 -0.000 0.000 0.685 514 G HA3 0.213 4.173 3.960 -0.000 0.000 0.685 514 G C 0.423 175.513 174.900 0.317 0.000 1.298 514 G CA -0.436 44.820 45.100 0.260 0.000 0.855 514 G HN 0.901 nan 8.290 nan 0.000 0.560 515 G N -0.993 107.957 108.800 0.251 0.000 2.356 515 G HA2 0.359 4.318 3.960 -0.000 0.000 0.296 515 G HA3 0.359 4.318 3.960 -0.000 0.000 0.296 515 G C 2.247 177.173 174.900 0.043 0.000 1.022 515 G CA 1.165 46.332 45.100 0.112 0.000 0.961 515 G HN 3.067 nan 8.290 nan 0.000 0.510 516 G N -2.894 105.948 108.800 0.071 0.000 2.175 516 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.265 516 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.265 516 G C 0.512 175.445 174.900 0.056 0.000 0.979 516 G CA 0.631 45.763 45.100 0.054 0.000 0.663 516 G HN 1.694 nan 8.290 nan 0.000 0.533 517 V N 2.258 122.224 119.914 0.088 0.000 2.313 517 V HA 0.529 4.649 4.120 -0.000 0.000 0.252 517 V C 0.444 176.597 176.094 0.098 0.000 1.112 517 V CA 0.669 63.036 62.300 0.112 0.000 0.984 517 V CB 0.313 32.242 31.823 0.178 0.000 1.157 517 V HN 0.654 nan 8.190 nan 0.000 0.493 518 E N 4.016 124.222 120.200 0.009 0.000 2.423 518 E HA 0.782 5.132 4.350 -0.000 0.000 0.280 518 E C -1.214 175.259 176.600 -0.211 0.000 1.030 518 E CA -0.948 55.359 56.400 -0.155 0.000 0.812 518 E CB 2.362 32.055 29.700 -0.012 0.000 1.313 518 E HN 0.599 nan 8.360 nan 0.000 0.456 519 C N -0.303 118.688 119.300 -0.516 0.000 3.302 519 C HA 0.516 4.976 4.460 -0.000 0.000 0.347 519 C C -1.249 173.514 174.990 -0.378 0.000 1.218 519 C CA -0.941 57.901 59.018 -0.293 0.000 1.234 519 C CB 0.895 28.531 27.740 -0.173 0.000 1.551 519 C HN 0.790 nan 8.230 nan 0.000 0.501 520 D N 1.133 121.521 120.400 -0.020 0.000 2.357 520 D HA 0.659 5.299 4.640 -0.000 0.000 0.242 520 D C 0.239 176.528 176.300 -0.018 0.000 1.153 520 D CA 0.911 54.964 54.000 0.088 0.000 0.918 520 D CB 1.558 42.415 40.800 0.095 0.000 1.181 520 D HN 1.225 nan 8.370 nan 0.000 0.435 521 A N 0.965 123.766 122.820 -0.031 0.000 2.574 521 A HA 0.631 4.950 4.320 -0.000 0.000 0.297 521 A C -1.002 176.267 177.584 -0.524 0.000 1.062 521 A CA -0.693 51.212 52.037 -0.220 0.000 0.686 521 A CB 0.883 19.818 19.000 -0.108 0.000 1.285 521 A HN 0.439 nan 8.150 nan 0.000 0.403 522 L N 0.054 120.922 121.223 -0.592 0.000 2.376 522 L HA 0.831 5.171 4.340 -0.000 0.000 0.267 522 L C -0.893 175.305 176.870 -1.119 0.000 1.035 522 L CA -0.676 53.774 54.840 -0.651 0.000 0.800 522 L CB 0.964 42.851 42.059 -0.286 0.000 1.290 522 L HN 0.691 nan 8.230 nan 0.000 0.462 523 F N -0.967 118.920 119.950 -0.105 0.000 2.613 523 F HA 0.454 4.981 4.527 -0.000 0.000 0.310 523 F C -2.526 173.105 175.800 -0.282 0.000 1.085 523 F CA -2.289 55.572 58.000 -0.231 0.000 0.945 523 F CB 1.289 40.086 39.000 -0.339 0.000 1.298 523 F HN 0.141 nan 8.300 nan 0.000 0.455 524 P HA 0.126 nan 4.420 nan 0.000 0.291 524 P C -0.813 175.979 177.300 -0.847 0.000 1.340 524 P CA -0.154 62.552 63.100 -0.656 0.000 0.799 524 P CB 0.729 31.846 31.700 -0.973 0.000 0.917 525 D N 2.969 123.098 120.400 -0.452 0.000 2.429 525 D HA -0.015 4.625 4.640 -0.000 0.000 0.253 525 D C 0.451 176.620 176.300 -0.217 0.000 1.294 525 D CA -0.041 53.772 54.000 -0.312 0.000 1.063 525 D CB -0.227 40.442 40.800 -0.218 0.000 1.096 525 D HN 0.303 nan 8.370 nan 0.000 0.516 526 W N 2.286 123.568 121.300 -0.031 0.000 2.350 526 W HA -0.036 4.624 4.660 -0.000 0.000 0.289 526 W C 2.507 179.012 176.519 -0.023 0.000 1.215 526 W CA 0.570 57.902 57.345 -0.022 0.000 1.236 526 W CB -0.352 29.093 29.460 -0.025 0.000 1.130 526 W HN 0.486 nan 8.180 nan 0.000 0.541 527 G N 0.662 109.566 108.800 0.172 0.000 2.501 527 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.220 527 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.220 527 G C 0.827 175.765 174.900 0.063 0.000 1.114 527 G CA -0.148 45.010 45.100 0.096 0.000 0.757 527 G HN 0.106 nan 8.290 nan 0.000 0.559 528 R N 1.161 121.681 120.500 0.033 0.000 2.590 528 R HA 0.194 4.534 4.340 -0.000 0.000 0.274 528 R C -2.272 174.050 176.300 0.037 0.000 1.061 528 R CA -1.338 54.763 56.100 0.002 0.000 1.081 528 R CB 0.325 30.586 30.300 -0.064 0.000 0.984 528 R HN 0.119 nan 8.270 nan 0.000 0.448 529 P HA 0.024 nan 4.420 nan 0.000 0.271 529 P C -0.703 176.623 177.300 0.044 0.000 1.220 529 P CA 0.191 63.318 63.100 0.045 0.000 0.768 529 P CB 0.927 32.646 31.700 0.032 0.000 0.848 530 D N 0.798 121.247 120.400 0.081 0.000 2.010 530 D HA -0.145 4.494 4.640 -0.000 0.000 0.171 530 D C 1.356 177.751 176.300 0.160 0.000 1.074 530 D CA 0.895 54.953 54.000 0.097 0.000 1.063 530 D CB -1.687 39.140 40.800 0.044 0.000 1.181 530 D HN 0.167 nan 8.370 nan 0.000 0.551 531 V N 1.025 121.023 119.914 0.141 0.000 2.343 531 V HA -0.160 3.960 4.120 -0.000 0.000 0.247 531 V C 2.719 179.078 176.094 0.442 0.000 1.051 531 V CA 2.548 64.972 62.300 0.207 0.000 1.036 531 V CB -0.694 31.163 31.823 0.056 0.000 0.654 531 V HN 0.477 nan 8.190 nan 0.000 0.451 532 A N -0.101 122.952 122.820 0.388 0.000 1.902 532 A HA -0.253 4.066 4.320 -0.000 0.000 0.217 532 A C 2.200 180.007 177.584 0.372 0.000 1.181 532 A CA 2.039 54.336 52.037 0.433 0.000 0.623 532 A CB -0.464 18.701 19.000 0.275 0.000 0.818 532 A HN 0.572 nan 8.150 nan 0.000 0.443 533 E N -0.974 119.390 120.200 0.273 0.000 2.017 533 E HA -0.241 4.108 4.350 -0.000 0.000 0.193 533 E C 1.696 178.427 176.600 0.218 0.000 0.997 533 E CA 1.737 58.257 56.400 0.200 0.000 0.804 533 E CB -0.462 29.330 29.700 0.154 0.000 0.757 533 E HN 0.700 nan 8.360 nan 0.000 0.448 534 W N 0.676 122.035 121.300 0.097 0.000 2.305 534 W HA -0.238 4.422 4.660 -0.001 0.000 0.308 534 W C 2.055 178.632 176.519 0.097 0.000 1.226 534 W CA 2.221 59.603 57.345 0.061 0.000 1.253 534 W CB -0.551 28.938 29.460 0.048 0.000 1.146 534 W HN 0.348 nan 8.180 nan 0.000 0.507 535 W N 1.150 122.487 121.300 0.062 0.000 2.408 535 W HA -0.054 4.606 4.660 -0.000 0.000 0.311 535 W C 2.134 178.593 176.519 -0.100 0.000 1.190 535 W CA 1.937 59.203 57.345 -0.132 0.000 1.321 535 W CB -1.041 28.674 29.460 0.426 0.000 1.143 535 W HN 0.009 nan 8.180 nan 0.000 0.501 536 G N 1.383 110.218 108.800 0.059 0.000 2.469 536 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.219 536 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.219 536 G C 1.445 176.244 174.900 -0.169 0.000 1.150 536 G CA 1.255 46.340 45.100 -0.025 0.000 0.763 536 G HN 0.310 nan 8.290 nan 0.000 0.561 537 N N 0.889 119.433 118.700 -0.260 0.000 2.244 537 N HA -0.089 4.650 4.740 -0.000 0.000 0.183 537 N C 1.832 177.024 175.510 -0.530 0.000 1.016 537 N CA 0.677 53.546 53.050 -0.301 0.000 0.866 537 N CB -0.228 38.126 38.487 -0.221 0.000 0.980 537 N HN 0.213 nan 8.380 nan 0.000 0.430 538 N N 0.657 118.802 118.700 -0.926 0.000 2.334 538 N HA -0.168 4.572 4.740 -0.000 0.000 0.187 538 N C 1.183 175.926 175.510 -1.278 0.000 1.016 538 N CA 0.770 52.991 53.050 -1.382 0.000 0.879 538 N CB -0.413 36.628 38.487 -2.410 0.000 0.965 538 N HN 0.437 nan 8.380 nan 0.000 0.438 539 Y N 1.401 121.139 120.300 -0.937 0.000 2.421 539 Y HA -0.014 4.536 4.550 -0.001 0.000 0.292 539 Y C 2.101 177.495 175.900 -0.844 0.000 1.136 539 Y CA 0.791 58.390 58.100 -0.836 0.000 1.255 539 Y CB 0.092 38.043 38.460 -0.849 0.000 0.991 539 Y HN 0.024 nan 8.280 nan 0.000 0.552 540 K N 0.370 120.533 120.400 -0.395 0.000 2.097 540 K HA -0.196 4.123 4.320 -0.000 0.000 0.206 540 K C 1.720 178.224 176.600 -0.160 0.000 1.049 540 K CA 1.416 57.587 56.287 -0.195 0.000 0.933 540 K CB -0.194 32.241 32.500 -0.109 0.000 0.717 540 K HN 0.299 nan 8.250 nan 0.000 0.442 541 K N 0.542 120.806 120.400 -0.227 0.000 2.360 541 K HA -0.094 4.225 4.320 -0.000 0.000 0.201 541 K C 1.766 178.351 176.600 -0.025 0.000 1.046 541 K CA 0.842 57.060 56.287 -0.115 0.000 0.940 541 K CB 0.069 32.474 32.500 -0.159 0.000 0.748 541 K HN 0.173 nan 8.250 nan 0.000 0.465 542 L N -1.653 119.505 121.223 -0.108 0.000 2.624 542 L HA 0.091 4.431 4.340 -0.000 0.000 0.222 542 L C 1.512 178.416 176.870 0.057 0.000 1.046 542 L CA 0.062 54.885 54.840 -0.029 0.000 0.872 542 L CB 0.015 42.017 42.059 -0.095 0.000 1.190 542 L HN 0.020 nan 8.230 nan 0.000 0.487 543 F N 1.049 121.036 119.950 0.061 0.000 2.186 543 F HA -0.146 4.381 4.527 -0.001 0.000 0.299 543 F C 2.915 178.760 175.800 0.075 0.000 1.090 543 F CA 1.168 59.198 58.000 0.051 0.000 1.307 543 F CB -1.366 37.669 39.000 0.059 0.000 1.019 543 F HN 0.118 nan 8.300 nan 0.000 0.489 544 S N 0.791 116.633 115.700 0.238 0.000 2.469 544 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 544 S C 1.571 176.293 174.600 0.203 0.000 0.998 544 S CA 1.159 59.472 58.200 0.189 0.000 0.957 544 S CB -1.180 62.101 63.200 0.135 0.000 0.764 544 S HN 0.618 nan 8.310 nan 0.000 0.514 545 I N -3.685 117.016 120.570 0.220 0.000 3.976 545 I HA 0.631 4.800 4.170 -0.000 0.000 0.337 545 I C 1.245 177.493 176.117 0.219 0.000 1.359 545 I CA 0.146 61.589 61.300 0.238 0.000 1.098 545 I CB 0.034 38.205 38.000 0.284 0.000 1.027 545 I HN 0.362 nan 8.210 nan 0.000 0.394 546 G N 1.808 110.726 108.800 0.197 0.000 2.255 546 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.196 546 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.196 546 G C -0.097 174.769 174.900 -0.056 0.000 0.998 546 G CA -0.097 45.094 45.100 0.152 0.000 0.656 546 G HN 0.280 nan 8.290 nan 0.000 0.490 547 L N 2.453 123.503 121.223 -0.289 0.000 2.601 547 L HA 0.328 4.668 4.340 -0.000 0.000 0.277 547 L C 1.023 177.865 176.870 -0.046 0.000 1.219 547 L CA 0.948 55.442 54.840 -0.577 0.000 0.915 547 L CB 0.412 42.228 42.059 -0.404 0.000 1.160 547 L HN 0.233 nan 8.230 nan 0.000 0.494 548 D N 4.924 125.307 120.400 -0.030 0.000 2.202 548 D HA 0.084 4.723 4.640 -0.000 0.000 0.214 548 D C 0.198 176.691 176.300 0.322 0.000 0.967 548 D CA 1.533 55.643 54.000 0.183 0.000 0.871 548 D CB 0.139 41.044 40.800 0.174 0.000 1.020 548 D HN 0.528 nan 8.370 nan 0.000 0.474 549 F N -1.236 118.726 119.950 0.021 0.000 2.754 549 F HA 0.609 5.136 4.527 -0.001 0.000 0.320 549 F C -1.191 174.660 175.800 0.085 0.000 1.156 549 F CA -1.345 56.704 58.000 0.081 0.000 0.950 549 F CB 1.214 40.314 39.000 0.166 0.000 1.388 549 F HN -0.398 nan 8.300 nan 0.000 0.485 550 V N 0.814 120.733 119.914 0.008 0.000 2.667 550 V HA 0.288 4.408 4.120 -0.000 0.000 0.308 550 V C -1.649 174.394 176.094 -0.086 0.000 1.048 550 V CA -0.422 61.879 62.300 0.002 0.000 0.928 550 V CB 1.867 33.768 31.823 0.130 0.000 1.004 550 V HN 0.810 nan 8.190 nan 0.000 0.444 551 W N 3.952 125.091 121.300 -0.269 0.000 2.485 551 W HA 0.562 5.222 4.660 -0.001 0.000 0.297 551 W C -0.441 176.004 176.519 -0.123 0.000 0.999 551 W CA -1.394 55.758 57.345 -0.320 0.000 1.512 551 W CB 0.955 30.138 29.460 -0.461 0.000 1.322 551 W HN 0.595 nan 8.180 nan 0.000 0.419 552 Q N 3.845 123.725 119.800 0.134 0.000 2.307 552 Q HA 0.217 4.557 4.340 -0.000 0.000 0.259 552 Q C -0.565 175.496 176.000 0.102 0.000 0.998 552 Q CA 0.741 56.593 55.803 0.080 0.000 0.923 552 Q CB 0.715 29.508 28.738 0.092 0.000 1.196 552 Q HN 0.367 nan 8.270 nan 0.000 0.416 553 D N 2.271 122.644 120.400 -0.046 0.000 2.497 553 D HA 0.341 4.981 4.640 -0.000 0.000 0.243 553 D C -0.177 176.133 176.300 0.018 0.000 1.039 553 D CA -0.362 53.629 54.000 -0.016 0.000 1.052 553 D CB 0.941 41.574 40.800 -0.278 0.000 1.344 553 D HN 0.538 nan 8.370 nan 0.000 0.553 554 M N 0.453 120.066 119.600 0.021 0.000 2.169 554 M HA -0.178 4.302 4.480 -0.000 0.000 0.196 554 M C 0.927 177.323 176.300 0.160 0.000 0.355 554 M CA 0.830 56.187 55.300 0.095 0.000 0.396 554 M CB -3.080 29.581 32.600 0.102 0.000 1.125 554 M HN 0.528 nan 8.290 nan 0.000 0.939 555 T N -4.868 109.710 114.554 0.041 0.000 3.081 555 T HA 0.176 4.526 4.350 -0.000 0.000 0.255 555 T C 1.678 176.376 174.700 -0.004 0.000 1.113 555 T CA 0.575 62.659 62.100 -0.027 0.000 1.082 555 T CB 0.173 68.978 68.868 -0.105 0.000 0.939 555 T HN 0.294 nan 8.240 nan 0.000 0.506 556 V N 2.529 122.459 119.914 0.027 0.000 2.250 556 V HA -0.049 4.071 4.120 -0.000 0.000 0.250 556 V C -1.335 174.830 176.094 0.118 0.000 1.060 556 V CA 1.496 63.799 62.300 0.005 0.000 1.030 556 V CB -1.447 30.322 31.823 -0.091 0.000 0.643 556 V HN 0.508 nan 8.190 nan 0.000 0.445 557 P HA 0.242 nan 4.420 nan 0.000 0.281 557 P C -0.837 176.386 177.300 -0.129 0.000 1.252 557 P CA 0.103 63.120 63.100 -0.137 0.000 0.778 557 P CB 1.052 32.364 31.700 -0.646 0.000 0.895 558 A N 5.580 128.448 122.820 0.080 0.000 2.666 558 A HA 0.295 4.614 4.320 -0.000 0.000 0.301 558 A C 0.586 178.229 177.584 0.099 0.000 1.470 558 A CA -0.208 51.835 52.037 0.009 0.000 1.159 558 A CB -0.952 18.043 19.000 -0.008 0.000 1.116 558 A HN 0.504 nan 8.150 nan 0.000 0.548 559 M N 1.631 121.236 119.600 0.009 0.000 2.368 559 M HA 0.339 4.818 4.480 -0.000 0.000 0.311 559 M C 0.652 176.935 176.300 -0.029 0.000 1.168 559 M CA -0.241 55.095 55.300 0.061 0.000 1.044 559 M CB 1.069 33.674 32.600 0.009 0.000 1.506 559 M HN 0.710 nan 8.290 nan 0.000 0.475 560 M N 4.170 123.783 119.600 0.022 0.000 2.252 560 M HA 0.167 4.646 4.480 -0.000 0.000 0.348 560 M C -2.044 174.298 176.300 0.070 0.000 1.334 560 M CA -1.397 53.935 55.300 0.054 0.000 1.071 560 M CB 0.576 33.264 32.600 0.147 0.000 1.763 560 M HN 0.233 nan 8.290 nan 0.000 0.452 561 P HA -0.093 nan 4.420 nan 0.000 0.264 561 P C -1.312 176.132 177.300 0.240 0.000 1.179 561 P CA 0.824 64.003 63.100 0.131 0.000 0.763 561 P CB 0.235 32.105 31.700 0.283 0.000 0.806 562 H N 0.894 120.018 119.070 0.091 0.000 3.137 562 H HA 0.230 4.785 4.556 -0.000 0.000 0.336 562 H C -1.311 174.207 175.328 0.318 0.000 1.055 562 H CA -0.677 55.472 56.048 0.168 0.000 1.349 562 H CB 1.641 31.476 29.762 0.122 0.000 1.939 562 H HN 0.372 nan 8.280 nan 0.000 0.487 563 K N 5.447 125.748 120.400 -0.166 0.000 2.156 563 K HA 0.263 4.582 4.320 -0.000 0.000 0.271 563 K C 0.222 176.647 176.600 -0.292 0.000 0.995 563 K CA -0.780 55.493 56.287 -0.023 0.000 0.890 563 K CB 0.788 33.158 32.500 -0.217 0.000 1.073 563 K HN 0.368 nan 8.250 nan 0.000 0.454 564 I N 3.026 123.629 120.570 0.054 0.000 2.815 564 I HA -0.038 4.131 4.170 -0.000 0.000 0.291 564 I C 1.491 177.557 176.117 -0.085 0.000 1.209 564 I CA 1.456 62.751 61.300 -0.009 0.000 1.431 564 I CB 0.239 38.229 38.000 -0.017 0.000 1.351 564 I HN 1.074 nan 8.210 nan 0.000 0.585 565 G N 4.763 113.531 108.800 -0.055 0.000 2.159 565 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.256 565 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.256 565 G C 0.078 174.937 174.900 -0.069 0.000 0.977 565 G CA -0.017 45.045 45.100 -0.062 0.000 0.652 565 G HN 0.563 nan 8.290 nan 0.000 0.531 566 D N 0.454 120.798 120.400 -0.093 0.000 2.326 566 D HA 0.521 5.161 4.640 -0.000 0.000 0.248 566 D C 0.123 176.480 176.300 0.094 0.000 1.001 566 D CA -0.594 53.365 54.000 -0.069 0.000 0.961 566 D CB 0.809 41.496 40.800 -0.187 0.000 1.183 566 D HN 0.038 nan 8.370 nan 0.000 0.502 567 D N 0.279 120.716 120.400 0.061 0.000 2.400 567 D HA 0.048 4.688 4.640 -0.000 0.000 0.238 567 D C 1.455 177.834 176.300 0.131 0.000 1.157 567 D CA -0.043 53.998 54.000 0.068 0.000 0.889 567 D CB 0.686 41.490 40.800 0.005 0.000 1.199 567 D HN 0.253 nan 8.370 nan 0.000 0.436 568 I N 1.144 121.733 120.570 0.032 0.000 2.916 568 I HA -0.211 3.959 4.170 -0.000 0.000 0.267 568 I C 0.998 176.986 176.117 -0.215 0.000 1.263 568 I CA 0.790 62.044 61.300 -0.075 0.000 1.471 568 I CB -0.487 37.456 38.000 -0.096 0.000 1.089 568 I HN 0.316 nan 8.210 nan 0.000 0.468 569 N N 0.351 118.884 118.700 -0.278 0.000 2.234 569 N HA 0.092 4.832 4.740 -0.000 0.000 0.227 569 N C -0.403 174.984 175.510 -0.206 0.000 1.151 569 N CA -0.049 52.653 53.050 -0.581 0.000 0.865 569 N CB 0.099 38.229 38.487 -0.594 0.000 1.066 569 N HN -0.041 nan 8.380 nan 0.000 0.515 570 V N 1.538 121.434 119.914 -0.031 0.000 2.417 570 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 570 V C 0.139 176.297 176.094 0.106 0.000 1.024 570 V CA -1.059 61.260 62.300 0.032 0.000 0.861 570 V CB 1.438 33.270 31.823 0.015 0.000 0.985 570 V HN 0.263 nan 8.190 nan 0.000 0.436 571 K N 4.746 125.205 120.400 0.099 0.000 2.098 571 K HA 0.678 4.998 4.320 -0.000 0.000 0.261 571 K C -2.744 173.921 176.600 0.109 0.000 0.987 571 K CA -1.680 54.693 56.287 0.142 0.000 0.916 571 K CB 0.798 33.390 32.500 0.153 0.000 1.039 571 K HN 0.276 nan 8.250 nan 0.000 0.455 572 P HA -0.064 nan 4.420 nan 0.000 0.275 572 P C -0.624 176.753 177.300 0.129 0.000 1.270 572 P CA -0.338 62.830 63.100 0.114 0.000 0.791 572 P CB 0.325 32.200 31.700 0.292 0.000 1.089 573 D N -0.497 119.966 120.400 0.106 0.000 2.488 573 D HA -0.051 4.589 4.640 -0.000 0.000 0.238 573 D C 1.610 178.029 176.300 0.198 0.000 1.138 573 D CA 0.627 54.706 54.000 0.132 0.000 0.873 573 D CB 0.892 41.763 40.800 0.118 0.000 1.183 573 D HN 0.440 nan 8.370 nan 0.000 0.458 574 G N 4.222 113.126 108.800 0.173 0.000 2.513 574 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.219 574 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.219 574 G C 1.363 176.454 174.900 0.318 0.000 1.160 574 G CA 0.383 45.610 45.100 0.211 0.000 0.767 574 G HN 0.584 nan 8.290 nan 0.000 0.571 575 N N -0.607 118.282 118.700 0.314 0.000 2.364 575 N HA -0.060 4.680 4.740 -0.000 0.000 0.183 575 N C 0.454 176.095 175.510 0.218 0.000 1.022 575 N CA 0.480 53.753 53.050 0.371 0.000 0.883 575 N CB -0.030 38.639 38.487 0.304 0.000 0.965 575 N HN 0.505 nan 8.380 nan 0.000 0.438 576 W N 3.141 124.441 121.300 -0.000 0.000 2.381 576 W HA 0.289 4.949 4.660 -0.000 0.000 0.329 576 W C -2.030 174.272 176.519 -0.361 0.000 1.157 576 W CA -1.686 55.575 57.345 -0.141 0.000 1.240 576 W CB 0.749 30.138 29.460 -0.118 0.000 1.199 576 W HN -0.082 nan 8.180 nan 0.000 0.579 577 P HA 0.274 nan 4.420 nan 0.000 0.277 577 P C -1.419 175.439 177.300 -0.737 0.000 1.271 577 P CA -0.189 61.867 63.100 -1.740 0.000 0.795 577 P CB 1.487 31.965 31.700 -2.035 0.000 1.101 578 N N -3.132 115.248 118.700 -0.534 0.000 3.179 578 N HA 0.397 5.137 4.740 -0.000 0.000 0.250 578 N C 0.458 175.812 175.510 -0.260 0.000 1.507 578 N CA -0.567 52.294 53.050 -0.314 0.000 0.883 578 N CB -0.302 38.055 38.487 -0.217 0.000 1.435 578 N HN 0.166 nan 8.380 nan 0.000 0.532 579 A N -0.371 122.251 122.820 -0.331 0.000 1.877 579 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 579 A C 1.162 178.617 177.584 -0.214 0.000 1.186 579 A CA 2.027 53.839 52.037 -0.376 0.000 0.620 579 A CB -0.981 17.522 19.000 -0.828 0.000 0.822 579 A HN 0.730 nan 8.150 nan 0.000 0.443 580 D N -0.532 119.771 120.400 -0.162 0.000 2.312 580 D HA 0.010 4.650 4.640 -0.000 0.000 0.211 580 D C -0.222 176.104 176.300 0.044 0.000 0.964 580 D CA 0.909 54.910 54.000 0.001 0.000 0.877 580 D CB 0.069 40.902 40.800 0.056 0.000 0.924 580 D HN 0.308 nan 8.370 nan 0.000 0.515 581 D N -0.268 120.149 120.400 0.028 0.000 2.429 581 D HA 0.206 4.845 4.640 -0.000 0.000 0.255 581 D C -2.549 173.774 176.300 0.038 0.000 1.257 581 D CA -1.898 52.184 54.000 0.137 0.000 0.890 581 D CB 1.668 42.649 40.800 0.302 0.000 1.267 581 D HN -0.093 nan 8.370 nan 0.000 0.521 582 P HA 0.117 nan 4.420 nan 0.000 0.288 582 P C 0.711 178.004 177.300 -0.011 0.000 1.291 582 P CA -0.233 62.847 63.100 -0.033 0.000 0.766 582 P CB 0.879 32.618 31.700 0.065 0.000 1.242 583 S N -1.153 114.569 115.700 0.037 0.000 2.460 583 S HA -0.005 4.464 4.470 -0.000 0.000 0.226 583 S C 0.217 175.019 174.600 0.337 0.000 1.057 583 S CA 0.168 58.433 58.200 0.109 0.000 0.948 583 S CB -1.101 62.226 63.200 0.211 0.000 0.822 583 S HN 0.438 nan 8.310 nan 0.000 0.512 584 N N 1.363 120.238 118.700 0.292 0.000 2.705 584 N HA -0.190 4.549 4.740 -0.000 0.000 0.255 584 N C 0.771 176.455 175.510 0.290 0.000 1.008 584 N CA 1.133 54.345 53.050 0.269 0.000 0.742 584 N CB -2.040 36.581 38.487 0.223 0.000 0.906 584 N HN 0.783 nan 8.380 nan 0.000 0.541 585 G N -0.825 108.188 108.800 0.355 0.000 2.245 585 G HA2 -0.417 3.543 3.960 -0.000 0.000 0.264 585 G HA3 -0.417 3.543 3.960 -0.000 0.000 0.264 585 G C 0.766 175.875 174.900 0.347 0.000 0.985 585 G CA 0.832 46.132 45.100 0.334 0.000 0.625 585 G HN 0.564 nan 8.290 nan 0.000 0.536 586 Q N -1.289 118.748 119.800 0.395 0.000 2.424 586 Q HA 0.318 4.657 4.340 -0.000 0.000 0.204 586 Q C 0.587 176.947 176.000 0.600 0.000 0.933 586 Q CA 0.366 56.422 55.803 0.421 0.000 0.929 586 Q CB 0.452 29.411 28.738 0.369 0.000 1.037 586 Q HN 0.578 nan 8.270 nan 0.000 0.511 587 Y N 2.333 122.855 120.300 0.370 0.000 2.342 587 Y HA 0.150 4.700 4.550 -0.000 0.000 0.334 587 Y C 0.712 176.636 175.900 0.040 0.000 1.067 587 Y CA -1.655 56.500 58.100 0.091 0.000 1.128 587 Y CB 0.786 38.928 38.460 -0.531 0.000 1.200 587 Y HN 0.064 nan 8.280 nan 0.000 0.464 588 N N 2.924 121.288 118.700 -0.561 0.000 2.467 588 N HA -0.120 4.620 4.740 -0.000 0.000 0.184 588 N C -0.216 175.086 175.510 -0.347 0.000 1.106 588 N CA 0.314 53.037 53.050 -0.544 0.000 0.892 588 N CB -0.536 37.357 38.487 -0.990 0.000 0.969 588 N HN 0.834 nan 8.380 nan 0.000 0.454 589 W N 1.375 122.246 121.300 -0.714 0.000 5.963 589 W HA -0.246 4.413 4.660 -0.000 0.000 0.400 589 W C 0.013 176.401 176.519 -0.218 0.000 1.530 589 W CA 0.627 57.856 57.345 -0.194 0.000 1.004 589 W CB -2.531 27.118 29.460 0.315 0.000 2.706 589 W HN 0.154 nan 8.180 nan 0.000 1.495 590 K N -1.728 118.478 120.400 -0.323 0.000 3.035 590 K HA -0.268 4.051 4.320 -0.000 0.000 0.262 590 K C 0.494 176.924 176.600 -0.283 0.000 1.024 590 K CA 1.366 57.478 56.287 -0.290 0.000 0.748 590 K CB -1.146 31.123 32.500 -0.385 0.000 1.247 590 K HN 0.432 nan 8.250 nan 0.000 0.482 591 T N -2.023 112.386 114.554 -0.241 0.000 2.612 591 T HA 0.312 4.662 4.350 -0.000 0.000 0.296 591 T C -1.397 173.116 174.700 -0.313 0.000 1.148 591 T CA -0.763 61.162 62.100 -0.292 0.000 1.077 591 T CB 0.384 69.105 68.868 -0.245 0.000 1.591 591 T HN 0.079 nan 8.240 nan 0.000 0.479 592 Y N 3.481 123.496 120.300 -0.476 0.000 2.846 592 Y HA 0.061 4.611 4.550 -0.001 0.000 0.352 592 Y C 1.408 177.200 175.900 -0.180 0.000 1.298 592 Y CA 0.330 58.101 58.100 -0.548 0.000 1.634 592 Y CB -0.850 37.190 38.460 -0.699 0.000 1.214 592 Y HN 0.402 nan 8.280 nan 0.000 0.529 593 H N 6.504 125.720 119.070 0.243 0.000 3.212 593 H HA -0.105 4.451 4.556 -0.000 0.000 0.292 593 H C -1.349 174.108 175.328 0.216 0.000 0.922 593 H CA 0.014 56.250 56.048 0.313 0.000 1.389 593 H CB 0.465 30.547 29.762 0.533 0.000 1.321 593 H HN 0.517 nan 8.280 nan 0.000 0.563 594 P HA -0.115 nan 4.420 nan 0.000 0.225 594 P C 0.683 178.106 177.300 0.206 0.000 1.148 594 P CA 1.068 64.336 63.100 0.280 0.000 0.779 594 P CB 0.393 32.350 31.700 0.429 0.000 0.780 595 Q N -0.555 119.329 119.800 0.140 0.000 2.389 595 Q HA 0.066 4.405 4.340 -0.000 0.000 0.204 595 Q C 0.934 177.001 176.000 0.111 0.000 0.944 595 Q CA -0.021 55.741 55.803 -0.069 0.000 0.908 595 Q CB -0.747 27.814 28.738 -0.296 0.000 1.002 595 Q HN 0.078 nan 8.270 nan 0.000 0.493 596 V N 1.884 121.848 119.914 0.084 0.000 2.584 596 V HA -0.071 4.048 4.120 -0.000 0.000 0.303 596 V C -0.146 175.839 176.094 -0.183 0.000 1.035 596 V CA 0.100 62.324 62.300 -0.127 0.000 1.172 596 V CB -0.000 31.480 31.823 -0.572 0.000 0.896 596 V HN 0.287 nan 8.190 nan 0.000 0.486 597 L N 8.236 129.404 121.223 -0.091 0.000 2.565 597 L HA 0.226 4.566 4.340 -0.000 0.000 0.275 597 L C 0.119 176.872 176.870 -0.195 0.000 1.137 597 L CA 0.100 54.865 54.840 -0.125 0.000 0.915 597 L CB 0.596 42.623 42.059 -0.054 0.000 1.232 597 L HN 0.715 nan 8.230 nan 0.000 0.473 598 V N 0.432 120.195 119.914 -0.251 0.000 2.532 598 V HA 0.488 4.607 4.120 -0.000 0.000 0.295 598 V C 0.514 176.521 176.094 -0.144 0.000 1.041 598 V CA -0.557 61.586 62.300 -0.262 0.000 0.926 598 V CB 1.576 33.173 31.823 -0.376 0.000 0.992 598 V HN 0.586 nan 8.190 nan 0.000 0.457 599 T N 3.430 117.921 114.554 -0.105 0.000 2.930 599 T HA 0.096 4.445 4.350 -0.000 0.000 0.306 599 T C -0.010 174.685 174.700 -0.009 0.000 1.045 599 T CA 0.297 62.371 62.100 -0.044 0.000 1.134 599 T CB 0.336 69.182 68.868 -0.037 0.000 0.961 599 T HN 0.967 nan 8.240 nan 0.000 0.545 600 D N 1.737 122.161 120.400 0.039 0.000 2.458 600 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 600 D C 0.649 176.972 176.300 0.038 0.000 1.146 600 D CA 0.253 54.293 54.000 0.066 0.000 0.877 600 D CB 0.661 41.573 40.800 0.188 0.000 1.176 600 D HN 0.474 nan 8.370 nan 0.000 0.461 601 M N 2.883 122.475 119.600 -0.013 0.000 2.371 601 M HA 0.119 4.598 4.480 -0.000 0.000 0.246 601 M C 1.519 177.738 176.300 -0.136 0.000 1.103 601 M CA 0.048 55.328 55.300 -0.035 0.000 1.010 601 M CB 0.651 33.237 32.600 -0.022 0.000 1.457 601 M HN 0.207 nan 8.290 nan 0.000 0.486 602 R N -0.761 119.601 120.500 -0.230 0.000 2.146 602 R HA 0.112 4.451 4.340 -0.000 0.000 0.206 602 R C -0.387 175.484 176.300 -0.714 0.000 1.049 602 R CA 0.706 56.475 56.100 -0.551 0.000 1.029 602 R CB 0.546 30.369 30.300 -0.796 0.000 0.949 602 R HN 0.172 nan 8.270 nan 0.000 0.471 603 Y N 2.331 122.584 120.300 -0.077 0.000 2.488 603 Y HA 0.169 4.719 4.550 -0.001 0.000 0.330 603 Y C -0.503 175.393 175.900 -0.006 0.000 1.013 603 Y CA -1.609 56.434 58.100 -0.094 0.000 1.304 603 Y CB 0.663 38.954 38.460 -0.282 0.000 1.098 603 Y HN 0.051 nan 8.280 nan 0.000 0.498 604 E N 0.994 121.260 120.200 0.110 0.000 2.481 604 E HA -0.020 4.329 4.350 -0.000 0.000 0.263 604 E C -0.584 176.096 176.600 0.134 0.000 0.992 604 E CA -0.209 56.252 56.400 0.101 0.000 0.938 604 E CB 0.152 29.894 29.700 0.070 0.000 0.933 604 E HN 0.674 nan 8.360 nan 0.000 0.453 605 N N 1.250 120.018 118.700 0.114 0.000 2.642 605 N HA -0.251 4.489 4.740 -0.000 0.000 0.269 605 N C -0.768 174.841 175.510 0.166 0.000 1.073 605 N CA 1.175 54.288 53.050 0.105 0.000 0.748 605 N CB -1.015 37.517 38.487 0.075 0.000 0.894 605 N HN 0.677 nan 8.380 nan 0.000 0.548 606 H N -0.579 118.519 119.070 0.047 0.000 3.398 606 H HA 0.418 4.974 4.556 -0.000 0.000 0.260 606 H C 1.148 176.489 175.328 0.022 0.000 1.189 606 H CA 1.090 57.160 56.048 0.037 0.000 1.145 606 H CB 0.396 30.203 29.762 0.075 0.000 1.599 606 H HN 0.648 nan 8.280 nan 0.000 0.615 607 G N 0.768 109.581 108.800 0.021 0.000 2.587 607 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.212 607 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.212 607 G C -0.940 173.967 174.900 0.012 0.000 1.327 607 G CA -0.467 44.618 45.100 -0.026 0.000 0.898 607 G HN 0.401 nan 8.290 nan 0.000 0.551 608 R N 0.416 120.909 120.500 -0.012 0.000 2.668 608 R HA 0.705 5.045 4.340 -0.000 0.000 0.279 608 R C -0.268 176.027 176.300 -0.008 0.000 0.976 608 R CA -0.809 55.279 56.100 -0.019 0.000 0.978 608 R CB 1.734 32.005 30.300 -0.049 0.000 1.133 608 R HN 0.602 nan 8.270 nan 0.000 0.484 609 E N 1.262 121.439 120.200 -0.038 0.000 2.392 609 E HA 0.377 4.726 4.350 -0.000 0.000 0.269 609 E C -2.627 173.858 176.600 -0.191 0.000 0.924 609 E CA -2.318 54.032 56.400 -0.084 0.000 0.784 609 E CB 1.773 31.462 29.700 -0.018 0.000 1.292 609 E HN 0.253 nan 8.360 nan 0.000 0.447 610 P HA 0.060 nan 4.420 nan 0.000 0.271 610 P C 0.618 177.774 177.300 -0.241 0.000 1.216 610 P CA -0.142 62.804 63.100 -0.257 0.000 0.776 610 P CB 0.431 31.979 31.700 -0.253 0.000 0.881 611 M N 4.411 123.879 119.600 -0.221 0.000 2.267 611 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 611 M C 1.606 177.806 176.300 -0.167 0.000 1.063 611 M CA 1.559 56.723 55.300 -0.227 0.000 1.090 611 M CB -1.287 31.137 32.600 -0.294 0.000 1.392 611 M HN 0.145 nan 8.290 nan 0.000 0.422 612 V N 0.024 119.867 119.914 -0.118 0.000 2.568 612 V HA -0.248 3.872 4.120 -0.000 0.000 0.253 612 V C 2.144 178.089 176.094 -0.249 0.000 1.072 612 V CA 2.476 64.717 62.300 -0.099 0.000 1.084 612 V CB -0.971 30.842 31.823 -0.018 0.000 0.676 612 V HN 0.822 nan 8.190 nan 0.000 0.469 613 T N -1.289 113.038 114.554 -0.378 0.000 3.055 613 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 613 T C 1.132 175.721 174.700 -0.185 0.000 1.111 613 T CA 1.101 62.976 62.100 -0.376 0.000 1.118 613 T CB -0.150 68.536 68.868 -0.303 0.000 0.909 613 T HN 0.795 nan 8.240 nan 0.000 0.501 614 Q N -0.218 119.472 119.800 -0.182 0.000 2.275 614 Q HA 0.355 4.694 4.340 -0.000 0.000 0.314 614 Q C 1.302 177.192 176.000 -0.183 0.000 0.851 614 Q CA -0.608 55.084 55.803 -0.185 0.000 1.083 614 Q CB 0.052 28.688 28.738 -0.169 0.000 1.341 614 Q HN 0.367 nan 8.270 nan 0.000 0.402 615 R N 1.042 121.439 120.500 -0.172 0.000 2.127 615 R HA -0.062 4.278 4.340 -0.000 0.000 0.238 615 R C 0.474 176.668 176.300 -0.176 0.000 1.134 615 R CA 1.831 57.826 56.100 -0.175 0.000 0.975 615 R CB 0.199 30.367 30.300 -0.220 0.000 0.865 615 R HN 0.215 nan 8.270 nan 0.000 0.447 616 N N 0.148 118.717 118.700 -0.219 0.000 2.398 616 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 616 N C 0.948 176.295 175.510 -0.271 0.000 1.122 616 N CA 0.392 53.304 53.050 -0.230 0.000 0.866 616 N CB 0.335 38.676 38.487 -0.243 0.000 0.970 616 N HN 0.353 nan 8.380 nan 0.000 0.462 617 I N -0.943 119.474 120.570 -0.255 0.000 4.057 617 I HA -0.029 4.141 4.170 -0.000 0.000 0.334 617 I C 1.950 178.016 176.117 -0.085 0.000 1.308 617 I CA 0.048 61.201 61.300 -0.245 0.000 1.125 617 I CB 0.094 37.885 38.000 -0.349 0.000 1.034 617 I HN 0.222 nan 8.210 nan 0.000 0.401 618 H N 1.406 120.384 119.070 -0.154 0.000 2.251 618 H HA -0.234 4.321 4.556 -0.001 0.000 0.294 618 H C 2.105 177.300 175.328 -0.222 0.000 1.078 618 H CA 2.082 58.051 56.048 -0.132 0.000 1.246 618 H CB 0.220 29.941 29.762 -0.069 0.000 1.358 618 H HN 0.410 nan 8.280 nan 0.000 0.488 619 A N 0.555 123.162 122.820 -0.355 0.000 1.883 619 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 619 A C 2.399 179.805 177.584 -0.296 0.000 1.186 619 A CA 1.713 53.508 52.037 -0.405 0.000 0.624 619 A CB -1.608 17.265 19.000 -0.212 0.000 0.822 619 A HN 0.762 nan 8.150 nan 0.000 0.444 620 Y N 1.309 121.463 120.300 -0.244 0.000 2.102 620 Y HA -0.311 4.239 4.550 -0.000 0.000 0.280 620 Y C 2.627 178.321 175.900 -0.342 0.000 1.178 620 Y CA 2.678 60.718 58.100 -0.101 0.000 1.146 620 Y CB -0.546 37.927 38.460 0.023 0.000 0.968 620 Y HN 0.342 nan 8.280 nan 0.000 0.504 621 T N 1.192 115.591 114.554 -0.258 0.000 2.812 621 T HA -0.167 4.182 4.350 -0.000 0.000 0.264 621 T C 1.722 175.748 174.700 -1.123 0.000 1.042 621 T CA 1.166 62.929 62.100 -0.560 0.000 1.140 621 T CB -0.679 67.903 68.868 -0.477 0.000 0.870 621 T HN 0.353 nan 8.240 nan 0.000 0.445 622 L N 1.617 121.979 121.223 -1.436 0.000 1.971 622 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 622 L C 2.432 178.815 176.870 -0.812 0.000 1.072 622 L CA 1.628 55.552 54.840 -1.526 0.000 0.758 622 L CB -1.371 40.086 42.059 -1.003 0.000 0.889 622 L HN 0.313 nan 8.230 nan 0.000 0.433 623 C N -0.035 118.897 119.300 -0.613 0.000 2.413 623 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 623 C C 2.726 177.202 174.990 -0.856 0.000 1.265 623 C CA 1.125 59.851 59.018 -0.486 0.000 1.752 623 C CB -1.152 26.427 27.740 -0.269 0.000 1.998 623 C HN 0.752 nan 8.230 nan 0.000 0.489 624 E N 0.934 120.284 120.200 -1.417 0.000 2.072 624 E HA -0.169 4.180 4.350 -0.000 0.000 0.191 624 E C 2.047 178.216 176.600 -0.719 0.000 0.985 624 E CA 1.601 56.938 56.400 -1.773 0.000 0.801 624 E CB -0.016 28.825 29.700 -1.431 0.000 0.750 624 E HN 0.602 nan 8.360 nan 0.000 0.452 625 S N -0.153 115.260 115.700 -0.478 0.000 2.387 625 S HA -0.084 4.385 4.470 -0.000 0.000 0.226 625 S C 2.003 176.671 174.600 0.115 0.000 1.026 625 S CA 1.242 59.388 58.200 -0.091 0.000 0.972 625 S CB -0.246 62.962 63.200 0.014 0.000 0.814 625 S HN 0.320 nan 8.310 nan 0.000 0.477 626 T N 2.001 116.635 114.554 0.135 0.000 2.759 626 T HA -0.128 4.222 4.350 -0.000 0.000 0.269 626 T C 1.927 176.523 174.700 -0.174 0.000 1.042 626 T CA 1.657 63.798 62.100 0.069 0.000 1.140 626 T CB -0.176 68.771 68.868 0.133 0.000 0.864 626 T HN 0.295 nan 8.240 nan 0.000 0.455 627 R N 1.418 121.816 120.500 -0.170 0.000 2.055 627 R HA 0.099 4.439 4.340 -0.000 0.000 0.228 627 R C 2.324 178.574 176.300 -0.083 0.000 1.143 627 R CA 1.716 57.741 56.100 -0.125 0.000 0.945 627 R CB -0.362 29.898 30.300 -0.068 0.000 0.841 627 R HN 0.278 nan 8.270 nan 0.000 0.429 628 K N -0.529 119.823 120.400 -0.079 0.000 2.057 628 K HA -0.109 4.210 4.320 -0.000 0.000 0.206 628 K C 1.357 177.953 176.600 -0.006 0.000 1.050 628 K CA 1.851 58.119 56.287 -0.032 0.000 0.935 628 K CB 0.116 32.598 32.500 -0.029 0.000 0.715 628 K HN 0.161 nan 8.250 nan 0.000 0.439 629 E N -0.967 119.239 120.200 0.011 0.000 2.251 629 E HA 0.098 4.447 4.350 -0.000 0.000 0.194 629 E C 1.490 178.095 176.600 0.007 0.000 0.964 629 E CA 0.653 57.077 56.400 0.039 0.000 0.868 629 E CB 0.313 30.075 29.700 0.104 0.000 0.828 629 E HN 0.428 nan 8.360 nan 0.000 0.481 630 G N 0.887 109.650 108.800 -0.061 0.000 2.605 630 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.215 630 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.215 630 G C 1.515 176.419 174.900 0.006 0.000 1.279 630 G CA 0.481 45.472 45.100 -0.182 0.000 0.831 630 G HN 0.114 nan 8.290 nan 0.000 0.560 631 I N 0.298 120.829 120.570 -0.065 0.000 2.353 631 I HA -0.084 4.085 4.170 -0.000 0.000 0.248 631 I C 2.693 178.787 176.117 -0.038 0.000 1.119 631 I CA 0.256 61.526 61.300 -0.050 0.000 1.417 631 I CB -0.119 37.816 38.000 -0.108 0.000 1.078 631 I HN 0.043 nan 8.210 nan 0.000 0.421 632 V N 0.492 120.391 119.914 -0.025 0.000 2.249 632 V HA -0.199 3.921 4.120 -0.000 0.000 0.239 632 V C 2.307 178.404 176.094 0.007 0.000 1.038 632 V CA 1.647 63.939 62.300 -0.013 0.000 1.005 632 V CB -0.665 31.150 31.823 -0.013 0.000 0.646 632 V HN 0.321 nan 8.190 nan 0.000 0.455 633 E N 0.709 120.919 120.200 0.017 0.000 2.147 633 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 633 E C 0.867 177.490 176.600 0.039 0.000 1.005 633 E CA 1.387 57.802 56.400 0.026 0.000 0.810 633 E CB -0.133 29.584 29.700 0.028 0.000 0.736 633 E HN 0.506 nan 8.360 nan 0.000 0.460 634 N N -0.487 118.252 118.700 0.066 0.000 2.453 634 N HA 0.165 4.905 4.740 -0.000 0.000 0.270 634 N C 0.175 175.753 175.510 0.113 0.000 1.195 634 N CA 0.124 53.240 53.050 0.110 0.000 0.902 634 N CB 1.194 39.776 38.487 0.159 0.000 1.186 634 N HN 0.060 nan 8.380 nan 0.000 0.510 635 A N 0.158 122.998 122.820 0.033 0.000 2.066 635 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 635 A C 1.624 179.212 177.584 0.006 0.000 1.157 635 A CA 0.955 52.980 52.037 -0.020 0.000 0.670 635 A CB 0.071 19.055 19.000 -0.027 0.000 0.804 635 A HN 0.069 nan 8.150 nan 0.000 0.453 636 D N -0.076 120.343 120.400 0.032 0.000 2.263 636 D HA -0.115 4.525 4.640 -0.000 0.000 0.208 636 D C 2.049 178.383 176.300 0.057 0.000 0.971 636 D CA 1.902 55.924 54.000 0.036 0.000 0.867 636 D CB -0.296 40.525 40.800 0.036 0.000 0.929 636 D HN 0.651 nan 8.370 nan 0.000 0.492 637 T N -2.116 112.494 114.554 0.094 0.000 3.065 637 T HA 0.129 4.478 4.350 -0.000 0.000 0.252 637 T C 1.207 176.002 174.700 0.159 0.000 1.099 637 T CA -0.271 61.913 62.100 0.140 0.000 1.063 637 T CB 0.018 68.998 68.868 0.186 0.000 0.948 637 T HN -0.047 nan 8.240 nan 0.000 0.506 638 L N 2.831 124.093 121.223 0.064 0.000 2.483 638 L HA 0.207 4.547 4.340 -0.000 0.000 0.275 638 L C 1.997 178.897 176.870 0.051 0.000 1.220 638 L CA 0.123 54.953 54.840 -0.016 0.000 0.833 638 L CB 0.753 42.708 42.059 -0.172 0.000 1.102 638 L HN 0.404 nan 8.230 nan 0.000 0.490 639 T N -1.264 113.344 114.554 0.089 0.000 3.538 639 T HA 0.016 4.365 4.350 -0.000 0.000 0.204 639 T C 1.533 176.231 174.700 -0.003 0.000 0.870 639 T CA -0.019 62.129 62.100 0.081 0.000 1.727 639 T CB -0.196 68.769 68.868 0.160 0.000 1.685 639 T HN 0.461 nan 8.240 nan 0.000 0.454 640 K N 0.044 120.417 120.400 -0.045 0.000 2.097 640 K HA 0.109 4.429 4.320 -0.000 0.000 0.206 640 K C -0.497 175.860 176.600 -0.405 0.000 1.049 640 K CA 0.847 56.971 56.287 -0.272 0.000 0.933 640 K CB -0.093 32.130 32.500 -0.462 0.000 0.717 640 K HN 0.386 nan 8.250 nan 0.000 0.442 641 F N -0.420 119.521 119.950 -0.015 0.000 2.529 641 F HA 0.356 4.883 4.527 -0.000 0.000 0.320 641 F C 0.997 176.791 175.800 -0.010 0.000 1.118 641 F CA -0.936 57.078 58.000 0.023 0.000 0.915 641 F CB 1.706 40.788 39.000 0.137 0.000 1.161 641 F HN -0.248 nan 8.300 nan 0.000 0.445 642 R N 1.428 121.999 120.500 0.117 0.000 2.080 642 R HA 0.111 4.450 4.340 -0.000 0.000 0.222 642 R C 1.077 177.390 176.300 0.021 0.000 1.107 642 R CA 0.391 56.512 56.100 0.036 0.000 0.980 642 R CB 0.178 30.487 30.300 0.015 0.000 0.879 642 R HN 0.615 nan 8.270 nan 0.000 0.439 643 R N 0.557 121.090 120.500 0.056 0.000 2.694 643 R HA 0.045 4.385 4.340 -0.000 0.000 0.268 643 R C -0.741 175.553 176.300 -0.010 0.000 1.061 643 R CA 0.335 56.439 56.100 0.008 0.000 1.133 643 R CB 0.993 31.290 30.300 -0.004 0.000 1.020 643 R HN 0.063 nan 8.270 nan 0.000 0.475 644 S N 0.953 116.635 115.700 -0.031 0.000 2.903 644 S HA 0.603 5.073 4.470 -0.000 0.000 0.314 644 S C -2.038 172.623 174.600 0.101 0.000 1.177 644 S CA -0.585 57.625 58.200 0.016 0.000 0.859 644 S CB 0.990 64.162 63.200 -0.047 0.000 1.265 644 S HN 0.540 nan 8.310 nan 0.000 0.584 645 Y N -0.434 119.871 120.300 0.009 0.000 2.713 645 Y HA 0.639 5.189 4.550 -0.001 0.000 0.335 645 Y C -1.882 174.090 175.900 0.121 0.000 1.222 645 Y CA -0.884 57.216 58.100 0.000 0.000 1.061 645 Y CB 0.982 39.373 38.460 -0.115 0.000 1.314 645 Y HN 0.658 nan 8.280 nan 0.000 0.453 646 I N 4.338 124.665 120.570 -0.404 0.000 2.533 646 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 646 I C -1.323 174.620 176.117 -0.290 0.000 1.056 646 I CA -0.896 60.276 61.300 -0.214 0.000 1.057 646 I CB 2.016 39.891 38.000 -0.208 0.000 1.240 646 I HN 0.291 nan 8.210 nan 0.000 0.423 647 I N 4.284 124.759 120.570 -0.159 0.000 2.330 647 I HA 0.295 4.465 4.170 -0.000 0.000 0.286 647 I C 0.274 176.449 176.117 0.096 0.000 1.025 647 I CA 0.021 61.186 61.300 -0.225 0.000 1.197 647 I CB 1.004 38.566 38.000 -0.731 0.000 1.358 647 I HN 0.518 nan 8.210 nan 0.000 0.467 648 S N 5.863 121.627 115.700 0.107 0.000 2.638 648 S HA 0.458 4.928 4.470 -0.000 0.000 0.298 648 S C 0.852 175.498 174.600 0.077 0.000 1.111 648 S CA -0.577 57.726 58.200 0.172 0.000 1.027 648 S CB 1.622 64.840 63.200 0.031 0.000 1.064 648 S HN 0.688 nan 8.310 nan 0.000 0.525 649 R N 1.247 121.644 120.500 -0.173 0.000 2.359 649 R HA 0.335 4.675 4.340 -0.000 0.000 0.231 649 R C 0.486 176.550 176.300 -0.394 0.000 0.913 649 R CA 0.342 55.974 56.100 -0.781 0.000 1.075 649 R CB -0.216 29.401 30.300 -1.137 0.000 1.087 649 R HN 0.755 nan 8.270 nan 0.000 0.515 650 G N -1.626 107.098 108.800 -0.126 0.000 2.451 650 G HA2 0.460 4.420 3.960 -0.000 0.000 0.292 650 G HA3 0.460 4.420 3.960 -0.000 0.000 0.292 650 G C -0.976 173.894 174.900 -0.050 0.000 1.427 650 G CA -0.217 44.874 45.100 -0.015 0.000 0.792 650 G HN 0.329 nan 8.290 nan 0.000 0.498 651 G N -1.784 106.929 108.800 -0.145 0.000 2.354 651 G HA2 0.500 4.459 3.960 -0.000 0.000 0.582 651 G HA3 0.500 4.459 3.960 -0.000 0.000 0.582 651 G C -1.778 172.772 174.900 -0.583 0.000 1.316 651 G CA 0.034 45.018 45.100 -0.193 0.000 0.995 651 G HN 1.944 nan 8.290 nan 0.000 0.573 652 Y N 0.081 120.116 120.300 -0.441 0.000 2.549 652 Y HA 0.710 5.260 4.550 -0.001 0.000 0.339 652 Y C 0.749 176.523 175.900 -0.211 0.000 1.053 652 Y CA -1.882 55.971 58.100 -0.411 0.000 1.105 652 Y CB 1.079 39.441 38.460 -0.163 0.000 1.258 652 Y HN 0.648 nan 8.280 nan 0.000 0.478 653 I N 4.123 124.237 120.570 -0.760 0.000 3.214 653 I HA -0.023 4.147 4.170 -0.000 0.000 0.332 653 I C 1.255 177.178 176.117 -0.323 0.000 1.225 653 I CA 2.186 63.168 61.300 -0.531 0.000 1.453 653 I CB -0.724 36.756 38.000 -0.866 0.000 1.321 653 I HN 0.915 nan 8.210 nan 0.000 0.518 654 G N 5.225 113.936 108.800 -0.149 0.000 2.260 654 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.179 654 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.179 654 G C 0.999 175.746 174.900 -0.255 0.000 1.002 654 G CA 0.056 45.107 45.100 -0.081 0.000 0.677 654 G HN 0.552 nan 8.290 nan 0.000 0.486 655 N N 0.999 119.599 118.700 -0.166 0.000 2.585 655 N HA -0.098 4.642 4.740 -0.000 0.000 0.188 655 N C 2.332 177.563 175.510 -0.465 0.000 1.102 655 N CA 1.358 54.205 53.050 -0.340 0.000 0.920 655 N CB 0.022 38.547 38.487 0.064 0.000 0.963 655 N HN 0.784 nan 8.380 nan 0.000 0.447 656 Q N -0.327 119.232 119.800 -0.403 0.000 2.369 656 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 656 Q C 0.427 176.064 176.000 -0.606 0.000 0.963 656 Q CA 1.311 56.858 55.803 -0.426 0.000 0.894 656 Q CB -0.652 27.846 28.738 -0.400 0.000 0.965 656 Q HN 0.510 nan 8.270 nan 0.000 0.475 657 H N -0.784 117.867 119.070 -0.698 0.000 2.551 657 H HA 0.115 4.670 4.556 -0.001 0.000 0.266 657 H C 0.373 175.358 175.328 -0.572 0.000 0.977 657 H CA 0.829 56.487 56.048 -0.650 0.000 1.163 657 H CB 0.167 29.560 29.762 -0.616 0.000 1.381 657 H HN 0.252 nan 8.280 nan 0.000 0.581 658 F N -1.781 118.039 119.950 -0.216 0.000 2.653 658 F HA 0.470 4.997 4.527 -0.000 0.000 0.288 658 F C 1.574 177.127 175.800 -0.412 0.000 1.121 658 F CA 0.440 58.272 58.000 -0.280 0.000 1.384 658 F CB 0.261 39.075 39.000 -0.310 0.000 1.115 658 F HN 0.179 nan 8.300 nan 0.000 0.599 659 G N -0.767 107.794 108.800 -0.399 0.000 2.563 659 G HA2 0.428 4.387 3.960 -0.000 0.000 0.068 659 G HA3 0.428 4.387 3.960 -0.000 0.000 0.068 659 G C -0.446 174.153 174.900 -0.502 0.000 1.001 659 G CA -0.002 44.554 45.100 -0.906 0.000 1.188 659 G HN 0.494 nan 8.290 nan 0.000 0.512 660 G N -1.104 107.469 108.800 -0.379 0.000 2.870 660 G HA2 0.657 4.616 3.960 -0.000 0.000 0.299 660 G HA3 0.657 4.616 3.960 -0.000 0.000 0.299 660 G C -1.316 173.532 174.900 -0.086 0.000 1.324 660 G CA -0.509 44.538 45.100 -0.088 0.000 0.808 660 G HN 0.582 nan 8.290 nan 0.000 0.535 661 M N -0.215 119.353 119.600 -0.054 0.000 2.501 661 M HA 0.459 4.939 4.480 -0.000 0.000 0.293 661 M C -1.712 174.621 176.300 0.055 0.000 1.192 661 M CA -0.520 54.775 55.300 -0.009 0.000 0.886 661 M CB 2.104 34.690 32.600 -0.022 0.000 1.710 661 M HN 0.840 nan 8.290 nan 0.000 0.457 662 W N 1.393 122.617 121.300 -0.127 0.000 2.761 662 W HA 0.718 5.377 4.660 -0.000 0.000 0.340 662 W C -1.119 175.417 176.519 0.028 0.000 1.072 662 W CA -0.997 56.353 57.345 0.008 0.000 1.215 662 W CB 0.707 30.197 29.460 0.049 0.000 1.420 662 W HN 0.270 nan 8.180 nan 0.000 0.519 663 V N 6.244 126.141 119.914 -0.028 0.000 3.099 663 V HA 0.347 4.467 4.120 -0.000 0.000 0.387 663 V C 1.317 177.272 176.094 -0.233 0.000 1.358 663 V CA 0.642 62.879 62.300 -0.105 0.000 1.528 663 V CB -1.445 30.465 31.823 0.145 0.000 1.342 663 V HN 1.279 nan 8.190 nan 0.000 0.513 664 G N 1.758 109.889 108.800 -1.116 0.000 2.574 664 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.282 664 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.282 664 G C -0.227 174.617 174.900 -0.094 0.000 1.257 664 G CA 0.161 44.605 45.100 -1.093 0.000 0.956 664 G HN 0.522 nan 8.290 nan 0.000 0.560 665 D N 2.566 123.018 120.400 0.087 0.000 2.517 665 D HA 0.272 4.912 4.640 -0.000 0.000 0.220 665 D C 1.151 177.438 176.300 -0.022 0.000 1.158 665 D CA -0.041 54.033 54.000 0.124 0.000 0.992 665 D CB -0.260 40.605 40.800 0.109 0.000 1.058 665 D HN 0.597 nan 8.370 nan 0.000 0.516 666 N N -0.020 118.656 118.700 -0.040 0.000 2.285 666 N HA 0.132 4.872 4.740 -0.000 0.000 0.262 666 N C -0.032 175.181 175.510 -0.495 0.000 1.299 666 N CA -0.336 52.404 53.050 -0.517 0.000 0.930 666 N CB 0.802 39.278 38.487 -0.018 0.000 1.157 666 N HN 0.082 nan 8.380 nan 0.000 0.532 667 S N -3.036 112.064 115.700 -1.000 0.000 2.851 667 S HA 0.534 5.004 4.470 -0.000 0.000 0.313 667 S C -0.984 173.548 174.600 -0.115 0.000 1.163 667 S CA -0.691 57.203 58.200 -0.511 0.000 0.850 667 S CB 0.627 63.531 63.200 -0.493 0.000 1.245 667 S HN 0.585 nan 8.310 nan 0.000 0.558 668 T N 2.036 116.641 114.554 0.084 0.000 3.315 668 T HA 0.453 4.802 4.350 -0.000 0.000 0.275 668 T C -0.389 174.354 174.700 0.072 0.000 1.598 668 T CA -0.342 61.809 62.100 0.085 0.000 1.368 668 T CB -0.590 68.135 68.868 -0.238 0.000 1.079 668 T HN 0.698 nan 8.240 nan 0.000 0.703 669 T N -2.682 112.045 114.554 0.289 0.000 2.883 669 T HA 0.424 4.774 4.350 -0.000 0.000 0.296 669 T C 1.298 176.047 174.700 0.082 0.000 1.117 669 T CA -0.735 61.487 62.100 0.204 0.000 1.006 669 T CB 1.628 70.672 68.868 0.293 0.000 1.191 669 T HN -0.091 nan 8.240 nan 0.000 0.508 670 S N 1.244 116.956 115.700 0.020 0.000 2.387 670 S HA -0.174 4.295 4.470 -0.000 0.000 0.230 670 S C 1.786 176.222 174.600 -0.273 0.000 1.035 670 S CA 1.887 59.998 58.200 -0.148 0.000 1.014 670 S CB -0.782 62.378 63.200 -0.067 0.000 0.836 670 S HN 0.822 nan 8.310 nan 0.000 0.466 671 N N 0.369 118.968 118.700 -0.168 0.000 2.166 671 N HA -0.090 4.650 4.740 -0.000 0.000 0.186 671 N C 1.352 176.620 175.510 -0.404 0.000 1.019 671 N CA 1.359 54.271 53.050 -0.230 0.000 0.856 671 N CB -0.326 38.118 38.487 -0.071 0.000 0.993 671 N HN 0.419 nan 8.380 nan 0.000 0.426 672 Y N 0.897 121.141 120.300 -0.093 0.000 2.352 672 Y HA 0.008 4.558 4.550 -0.000 0.000 0.292 672 Y C 1.967 177.816 175.900 -0.084 0.000 1.136 672 Y CA 0.474 58.564 58.100 -0.017 0.000 1.227 672 Y CB -0.204 38.329 38.460 0.122 0.000 0.991 672 Y HN 0.123 nan 8.280 nan 0.000 0.545 673 I N -0.281 120.159 120.570 -0.217 0.000 2.252 673 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 673 I C 2.069 178.084 176.117 -0.169 0.000 1.102 673 I CA 1.458 62.530 61.300 -0.380 0.000 1.385 673 I CB -0.480 37.197 38.000 -0.538 0.000 1.064 673 I HN 0.335 nan 8.210 nan 0.000 0.414 674 Q N 0.362 120.046 119.800 -0.193 0.000 1.993 674 Q HA -0.219 4.120 4.340 -0.000 0.000 0.202 674 Q C 2.336 178.322 176.000 -0.023 0.000 0.984 674 Q CA 1.615 57.351 55.803 -0.112 0.000 0.837 674 Q CB -0.201 28.458 28.738 -0.133 0.000 0.902 674 Q HN 0.414 nan 8.270 nan 0.000 0.423 675 M N 0.172 119.727 119.600 -0.075 0.000 2.103 675 M HA -0.305 4.175 4.480 -0.000 0.000 0.255 675 M C 2.427 178.767 176.300 0.067 0.000 1.074 675 M CA 1.716 56.994 55.300 -0.037 0.000 1.090 675 M CB -0.380 32.154 32.600 -0.110 0.000 1.325 675 M HN 0.391 nan 8.290 nan 0.000 0.403 676 M N 0.537 120.214 119.600 0.128 0.000 2.073 676 M HA -0.273 4.206 4.480 -0.000 0.000 0.258 676 M C 1.955 178.311 176.300 0.093 0.000 1.070 676 M CA 2.013 57.415 55.300 0.171 0.000 1.103 676 M CB -0.256 32.484 32.600 0.233 0.000 1.321 676 M HN 0.222 nan 8.290 nan 0.000 0.405 677 I N 0.514 121.118 120.570 0.057 0.000 2.113 677 I HA -0.260 3.910 4.170 -0.000 0.000 0.238 677 I C 2.724 178.840 176.117 -0.003 0.000 1.070 677 I CA 1.372 62.676 61.300 0.006 0.000 1.332 677 I CB -0.810 37.231 38.000 0.068 0.000 1.044 677 I HN 0.465 nan 8.210 nan 0.000 0.402 678 A N 0.738 123.586 122.820 0.046 0.000 1.986 678 A HA -0.276 4.044 4.320 -0.000 0.000 0.220 678 A C 2.006 179.612 177.584 0.037 0.000 1.171 678 A CA 2.389 54.460 52.037 0.057 0.000 0.640 678 A CB -1.172 17.878 19.000 0.084 0.000 0.811 678 A HN 0.569 nan 8.150 nan 0.000 0.451 679 N N -0.556 118.161 118.700 0.028 0.000 2.106 679 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 679 N C 1.919 177.429 175.510 0.001 0.000 1.029 679 N CA 0.970 54.029 53.050 0.014 0.000 0.848 679 N CB -0.222 38.278 38.487 0.021 0.000 1.007 679 N HN 0.580 nan 8.380 nan 0.000 0.423 680 N N 1.534 120.232 118.700 -0.004 0.000 2.084 680 N HA -0.113 4.627 4.740 -0.000 0.000 0.190 680 N C 1.770 177.245 175.510 -0.060 0.000 1.030 680 N CA 0.984 54.014 53.050 -0.034 0.000 0.849 680 N CB 0.018 38.461 38.487 -0.073 0.000 1.012 680 N HN 0.193 nan 8.380 nan 0.000 0.423 681 I N 1.280 121.810 120.570 -0.068 0.000 2.179 681 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 681 I C 1.964 178.095 176.117 0.023 0.000 1.088 681 I CA 0.915 62.199 61.300 -0.028 0.000 1.357 681 I CB -0.393 37.623 38.000 0.027 0.000 1.051 681 I HN 0.156 nan 8.210 nan 0.000 0.409 682 N N 0.540 119.261 118.700 0.036 0.000 2.106 682 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 682 N C 1.865 177.396 175.510 0.035 0.000 1.029 682 N CA 1.341 54.428 53.050 0.061 0.000 0.848 682 N CB -0.215 38.309 38.487 0.062 0.000 1.007 682 N HN 0.237 nan 8.380 nan 0.000 0.423 683 M N 0.864 120.446 119.600 -0.030 0.000 2.229 683 M HA -0.046 4.433 4.480 -0.000 0.000 0.264 683 M C 1.483 177.733 176.300 -0.083 0.000 1.063 683 M CA 0.767 55.999 55.300 -0.113 0.000 1.114 683 M CB -0.860 31.626 32.600 -0.189 0.000 1.387 683 M HN 0.210 nan 8.290 nan 0.000 0.420 684 N N 0.916 119.592 118.700 -0.041 0.000 2.223 684 N HA -0.126 4.614 4.740 -0.000 0.000 0.185 684 N C 1.634 177.150 175.510 0.011 0.000 1.016 684 N CA 1.437 54.469 53.050 -0.030 0.000 0.863 684 N CB -0.091 38.380 38.487 -0.027 0.000 0.983 684 N HN 0.524 nan 8.380 nan 0.000 0.429 685 M N -1.663 117.978 119.600 0.068 0.000 2.561 685 M HA 0.224 4.703 4.480 -0.000 0.000 0.238 685 M C 0.738 177.202 176.300 0.275 0.000 1.131 685 M CA 0.810 56.205 55.300 0.158 0.000 1.046 685 M CB 0.493 33.192 32.600 0.164 0.000 1.532 685 M HN -0.227 nan 8.290 nan 0.000 0.497 686 S N -0.043 115.739 115.700 0.136 0.000 2.582 686 S HA 0.204 4.673 4.470 -0.000 0.000 0.234 686 S C 0.632 175.156 174.600 -0.126 0.000 0.961 686 S CA -0.127 58.089 58.200 0.025 0.000 0.953 686 S CB -0.520 62.712 63.200 0.053 0.000 0.800 686 S HN 0.764 nan 8.310 nan 0.000 0.471 687 C N 0.824 120.071 119.300 -0.089 0.000 4.400 687 C HA -0.127 4.333 4.460 -0.000 0.000 0.275 687 C C 0.136 175.008 174.990 -0.198 0.000 1.391 687 C CA -0.184 58.742 59.018 -0.153 0.000 1.816 687 C CB -2.225 25.380 27.740 -0.226 0.000 1.404 687 C HN 0.546 nan 8.230 nan 0.000 0.754 688 L N 2.293 123.396 121.223 -0.201 0.000 2.313 688 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 688 L C -1.260 175.514 176.870 -0.159 0.000 1.028 688 L CA -0.997 53.713 54.840 -0.216 0.000 0.871 688 L CB 1.334 43.175 42.059 -0.362 0.000 1.242 688 L HN 0.029 nan 8.230 nan 0.000 0.434 689 P HA 0.062 nan 4.420 nan 0.000 0.249 689 P C 0.571 177.878 177.300 0.011 0.000 1.177 689 P CA 0.091 63.159 63.100 -0.053 0.000 0.879 689 P CB 1.191 32.856 31.700 -0.059 0.000 1.083 690 L N 1.769 123.010 121.223 0.030 0.000 2.387 690 L HA 0.351 4.691 4.340 -0.000 0.000 0.267 690 L C -0.394 176.540 176.870 0.107 0.000 1.197 690 L CA -0.355 54.540 54.840 0.091 0.000 1.070 690 L CB -0.058 42.041 42.059 0.066 0.000 1.349 690 L HN -0.199 nan 8.230 nan 0.000 0.422 691 V N 3.216 123.220 119.914 0.149 0.000 3.130 691 V HA 1.024 5.144 4.120 -0.000 0.000 0.310 691 V C -0.409 175.881 176.094 0.327 0.000 1.158 691 V CA 0.065 62.466 62.300 0.168 0.000 1.029 691 V CB 2.328 34.185 31.823 0.057 0.000 1.057 691 V HN 0.589 nan 8.190 nan 0.000 0.436 692 G N 1.721 110.775 108.800 0.425 0.000 2.579 692 G HA2 0.577 4.537 3.960 -0.000 0.000 0.292 692 G HA3 0.577 4.537 3.960 -0.000 0.000 0.292 692 G C -1.438 173.794 174.900 0.554 0.000 1.484 692 G CA -0.239 45.181 45.100 0.533 0.000 0.813 692 G HN 0.997 nan 8.290 nan 0.000 0.515 693 S N 0.447 116.430 115.700 0.471 0.000 2.501 693 S HA 0.513 4.983 4.470 -0.000 0.000 0.301 693 S C -0.699 174.174 174.600 0.455 0.000 1.096 693 S CA -0.776 57.717 58.200 0.489 0.000 1.063 693 S CB 1.542 65.010 63.200 0.446 0.000 1.042 693 S HN 0.568 nan 8.310 nan 0.000 0.494 694 D N 2.064 122.754 120.400 0.483 0.000 2.586 694 D HA 0.002 4.641 4.640 -0.000 0.000 0.234 694 D C -0.013 176.349 176.300 0.103 0.000 1.132 694 D CA 0.436 54.627 54.000 0.320 0.000 0.860 694 D CB 0.159 41.202 40.800 0.404 0.000 1.159 694 D HN 0.207 nan 8.370 nan 0.000 0.490 695 I N 1.883 122.443 120.570 -0.017 0.000 2.396 695 I HA 0.185 4.355 4.170 -0.000 0.000 0.289 695 I C 1.789 177.580 176.117 -0.543 0.000 1.056 695 I CA 0.262 61.429 61.300 -0.221 0.000 1.365 695 I CB 0.120 38.065 38.000 -0.092 0.000 1.407 695 I HN 0.707 nan 8.210 nan 0.000 0.509 696 G N 4.651 112.541 108.800 -1.517 0.000 2.225 696 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.254 696 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.254 696 G C 0.641 175.105 174.900 -0.727 0.000 0.988 696 G CA 0.252 44.659 45.100 -1.155 0.000 0.625 696 G HN 1.694 nan 8.290 nan 0.000 0.527 697 G N -1.687 106.806 108.800 -0.512 0.000 3.055 697 G HA2 0.214 4.174 3.960 -0.000 0.000 0.686 697 G HA3 0.214 4.174 3.960 -0.000 0.000 0.686 697 G C 0.129 175.055 174.900 0.044 0.000 1.087 697 G CA 0.150 45.201 45.100 -0.082 0.000 0.779 697 G HN 1.461 nan 8.290 nan 0.000 0.599 698 F N 2.311 122.269 119.950 0.012 0.000 2.084 698 F HA 0.172 4.698 4.527 -0.001 0.000 0.296 698 F C 2.124 177.973 175.800 0.082 0.000 1.111 698 F CA 2.424 60.462 58.000 0.064 0.000 1.224 698 F CB -0.122 38.955 39.000 0.128 0.000 0.991 698 F HN 0.937 nan 8.300 nan 0.000 0.471 699 T N -0.973 113.623 114.554 0.070 0.000 2.934 699 T HA 0.446 4.796 4.350 -0.000 0.000 0.283 699 T C 0.324 175.061 174.700 0.063 0.000 1.005 699 T CA -0.654 61.453 62.100 0.012 0.000 1.041 699 T CB 1.209 70.165 68.868 0.146 0.000 1.042 699 T HN 0.163 nan 8.240 nan 0.000 0.505 700 S N 0.911 116.669 115.700 0.096 0.000 2.553 700 S HA 0.128 4.598 4.470 -0.000 0.000 0.271 700 S C 0.336 175.084 174.600 0.246 0.000 1.362 700 S CA 0.275 58.580 58.200 0.174 0.000 1.010 700 S CB -0.240 63.027 63.200 0.111 0.000 0.865 700 S HN 1.009 nan 8.310 nan 0.000 0.543 701 Y N -1.242 119.092 120.300 0.055 0.000 2.524 701 Y HA 0.410 4.960 4.550 -0.001 0.000 0.276 701 Y C 0.123 176.072 175.900 0.081 0.000 1.155 701 Y CA -0.544 57.607 58.100 0.085 0.000 1.165 701 Y CB 0.042 38.567 38.460 0.108 0.000 1.306 701 Y HN 0.502 nan 8.280 nan 0.000 0.522 702 D N 2.204 122.149 120.400 -0.758 0.000 2.374 702 D HA 0.078 4.718 4.640 -0.000 0.000 0.240 702 D C 0.322 176.480 176.300 -0.236 0.000 1.229 702 D CA 0.194 53.826 54.000 -0.613 0.000 0.895 702 D CB 0.546 40.882 40.800 -0.774 0.000 1.046 702 D HN 0.240 nan 8.370 nan 0.000 0.498 703 N N 3.126 121.755 118.700 -0.118 0.000 2.036 703 N HA -0.175 4.564 4.740 -0.000 0.000 0.195 703 N C 1.119 176.598 175.510 -0.051 0.000 1.037 703 N CA 0.995 54.016 53.050 -0.049 0.000 0.855 703 N CB 0.018 38.499 38.487 -0.009 0.000 1.033 703 N HN 0.561 nan 8.380 nan 0.000 0.423 704 E N 0.125 120.289 120.200 -0.061 0.000 2.333 704 E HA -0.078 4.272 4.350 -0.000 0.000 0.198 704 E C -0.011 176.553 176.600 -0.060 0.000 1.007 704 E CA 0.615 56.986 56.400 -0.049 0.000 0.845 704 E CB -0.279 29.395 29.700 -0.044 0.000 0.766 704 E HN 0.268 nan 8.360 nan 0.000 0.507 705 N N -0.146 118.501 118.700 -0.088 0.000 3.321 705 N HA -0.054 4.685 4.740 -0.000 0.000 0.217 705 N C 0.512 175.952 175.510 -0.117 0.000 1.405 705 N CA 0.057 53.051 53.050 -0.093 0.000 0.799 705 N CB 0.323 38.748 38.487 -0.103 0.000 1.619 705 N HN -0.090 nan 8.380 nan 0.000 0.648 706 Q N 1.352 121.113 119.800 -0.065 0.000 2.197 706 Q HA -0.121 4.219 4.340 -0.000 0.000 0.207 706 Q C 0.735 176.710 176.000 -0.041 0.000 0.984 706 Q CA 1.169 56.952 55.803 -0.034 0.000 0.869 706 Q CB -0.092 28.684 28.738 0.062 0.000 0.906 706 Q HN 0.446 nan 8.270 nan 0.000 0.426 707 R N 0.848 121.294 120.500 -0.090 0.000 2.357 707 R HA 0.046 4.386 4.340 -0.000 0.000 0.202 707 R C 0.078 176.299 176.300 -0.132 0.000 1.047 707 R CA 0.639 56.658 56.100 -0.135 0.000 1.034 707 R CB -0.130 29.972 30.300 -0.330 0.000 0.875 707 R HN 0.215 nan 8.270 nan 0.000 0.473 708 T N 3.761 118.240 114.554 -0.125 0.000 2.834 708 T HA 0.125 4.474 4.350 -0.000 0.000 0.298 708 T C -2.152 172.553 174.700 0.009 0.000 0.966 708 T CA -1.029 61.012 62.100 -0.098 0.000 1.141 708 T CB 1.216 70.013 68.868 -0.119 0.000 0.905 708 T HN 0.070 nan 8.240 nan 0.000 0.535 709 P HA 0.238 nan 4.420 nan 0.000 0.278 709 P C 0.328 177.667 177.300 0.064 0.000 1.258 709 P CA -0.925 62.078 63.100 -0.162 0.000 0.811 709 P CB 0.497 31.727 31.700 -0.784 0.000 1.063 710 C N 2.039 121.344 119.300 0.008 0.000 2.568 710 C HA 0.097 4.557 4.460 -0.000 0.000 0.401 710 C C 1.203 176.267 174.990 0.124 0.000 1.338 710 C CA 0.725 59.708 59.018 -0.058 0.000 1.721 710 C CB -1.330 26.355 27.740 -0.092 0.000 2.624 710 C HN 0.764 nan 8.230 nan 0.000 0.614 711 T N 3.414 118.005 114.554 0.062 0.000 2.907 711 T HA 0.402 4.751 4.350 -0.000 0.000 0.298 711 T C 1.351 176.088 174.700 0.062 0.000 1.017 711 T CA 0.028 62.210 62.100 0.138 0.000 1.118 711 T CB 1.433 70.368 68.868 0.112 0.000 0.948 711 T HN 1.108 nan 8.240 nan 0.000 0.531 712 G N 1.698 110.583 108.800 0.142 0.000 2.503 712 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.221 712 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.221 712 G C 1.122 175.973 174.900 -0.082 0.000 1.131 712 G CA 1.200 46.292 45.100 -0.013 0.000 0.756 712 G HN 0.897 nan 8.290 nan 0.000 0.572 713 D N -0.578 119.821 120.400 -0.002 0.000 2.123 713 D HA -0.059 4.581 4.640 -0.000 0.000 0.200 713 D C 2.322 178.612 176.300 -0.017 0.000 0.976 713 D CA 0.499 54.498 54.000 -0.002 0.000 0.831 713 D CB -0.206 40.615 40.800 0.036 0.000 0.974 713 D HN 0.141 nan 8.370 nan 0.000 0.469 714 L N 0.155 121.375 121.223 -0.005 0.000 2.046 714 L HA -0.044 4.296 4.340 -0.000 0.000 0.208 714 L C 2.170 179.064 176.870 0.040 0.000 1.077 714 L CA 1.624 56.473 54.840 0.014 0.000 0.747 714 L CB -0.827 41.242 42.059 0.017 0.000 0.896 714 L HN 0.174 nan 8.230 nan 0.000 0.432 715 M N -1.578 117.982 119.600 -0.067 0.000 2.202 715 M HA -0.147 4.332 4.480 -0.000 0.000 0.262 715 M C 1.986 178.243 176.300 -0.072 0.000 1.063 715 M CA 1.674 56.900 55.300 -0.123 0.000 1.097 715 M CB -0.475 31.827 32.600 -0.497 0.000 1.382 715 M HN 0.090 nan 8.290 nan 0.000 0.413 716 V N 0.164 120.015 119.914 -0.105 0.000 2.307 716 V HA -0.232 3.887 4.120 -0.000 0.000 0.245 716 V C 2.531 178.564 176.094 -0.103 0.000 1.045 716 V CA 1.587 63.823 62.300 -0.106 0.000 1.024 716 V CB -0.715 31.048 31.823 -0.099 0.000 0.651 716 V HN 0.390 nan 8.190 nan 0.000 0.449 717 R N -1.265 119.202 120.500 -0.055 0.000 2.115 717 R HA -0.100 4.239 4.340 -0.000 0.000 0.230 717 R C 2.054 178.347 176.300 -0.012 0.000 1.111 717 R CA 1.212 57.277 56.100 -0.059 0.000 0.976 717 R CB -0.917 29.353 30.300 -0.050 0.000 0.870 717 R HN 0.531 nan 8.270 nan 0.000 0.445 718 Y N 0.608 120.888 120.300 -0.034 0.000 2.163 718 Y HA -0.139 4.411 4.550 -0.000 0.000 0.288 718 Y C 2.468 178.410 175.900 0.071 0.000 1.136 718 Y CA 0.914 59.028 58.100 0.024 0.000 1.147 718 Y CB -0.429 38.037 38.460 0.009 0.000 0.987 718 Y HN -0.269 nan 8.280 nan 0.000 0.509 719 V N -0.097 119.959 119.914 0.238 0.000 2.295 719 V HA -0.354 3.766 4.120 -0.000 0.000 0.246 719 V C 2.170 178.357 176.094 0.155 0.000 1.049 719 V CA 2.132 64.576 62.300 0.239 0.000 1.024 719 V CB -0.631 31.275 31.823 0.138 0.000 0.648 719 V HN 0.407 nan 8.190 nan 0.000 0.447 720 Q N -0.337 119.411 119.800 -0.087 0.000 2.062 720 Q HA -0.276 4.063 4.340 -0.000 0.000 0.209 720 Q C 2.318 178.348 176.000 0.051 0.000 0.996 720 Q CA 2.377 58.044 55.803 -0.227 0.000 0.859 720 Q CB -0.472 28.009 28.738 -0.428 0.000 0.920 720 Q HN 0.695 nan 8.270 nan 0.000 0.415 721 A N -0.032 122.850 122.820 0.104 0.000 1.929 721 A HA -0.022 4.297 4.320 -0.000 0.000 0.216 721 A C 2.078 179.821 177.584 0.266 0.000 1.176 721 A CA 1.404 53.559 52.037 0.195 0.000 0.628 721 A CB -0.597 18.484 19.000 0.135 0.000 0.816 721 A HN 0.475 nan 8.150 nan 0.000 0.444 722 G N -0.991 107.981 108.800 0.286 0.000 2.985 722 G HA2 0.035 3.995 3.960 -0.000 0.000 0.209 722 G HA3 0.035 3.995 3.960 -0.000 0.000 0.209 722 G C 1.251 176.272 174.900 0.200 0.000 1.165 722 G CA 0.887 46.194 45.100 0.345 0.000 0.776 722 G HN 0.854 nan 8.290 nan 0.000 0.541 723 C N -1.224 118.118 119.300 0.070 0.000 2.562 723 C HA 0.475 4.935 4.460 -0.000 0.000 0.266 723 C C 1.659 176.590 174.990 -0.099 0.000 1.382 723 C CA -0.200 58.658 59.018 -0.266 0.000 1.742 723 C CB -0.909 26.854 27.740 0.038 0.000 1.812 723 C HN 0.220 nan 8.230 nan 0.000 0.559 724 L N 0.193 121.497 121.223 0.135 0.000 3.184 724 L HA 0.395 4.734 4.340 -0.000 0.000 0.283 724 L C 0.216 177.211 176.870 0.209 0.000 1.218 724 L CA -0.112 54.850 54.840 0.203 0.000 1.028 724 L CB 0.067 42.342 42.059 0.360 0.000 1.400 724 L HN 0.216 nan 8.230 nan 0.000 0.591 725 L N 0.795 122.126 121.223 0.180 0.000 2.395 725 L HA 0.193 4.533 4.340 -0.000 0.000 0.269 725 L C -1.110 175.903 176.870 0.239 0.000 1.133 725 L CA -1.586 53.352 54.840 0.162 0.000 0.812 725 L CB 0.541 42.690 42.059 0.150 0.000 1.125 725 L HN -0.185 nan 8.230 nan 0.000 0.452 726 P HA -0.246 nan 4.420 nan 0.000 0.214 726 P C -0.143 177.388 177.300 0.384 0.000 1.164 726 P CA 1.396 64.720 63.100 0.374 0.000 0.942 726 P CB 0.007 31.875 31.700 0.280 0.000 0.791 727 W N 0.396 121.795 121.300 0.166 0.000 2.332 727 W HA 0.373 5.033 4.660 -0.001 0.000 0.306 727 W C -1.495 175.223 176.519 0.333 0.000 1.149 727 W CA -0.761 56.684 57.345 0.166 0.000 1.271 727 W CB 0.386 29.926 29.460 0.133 0.000 1.243 727 W HN -0.154 nan 8.180 nan 0.000 0.459 728 F N 8.341 128.047 119.950 -0.407 0.000 2.443 728 F HA 0.430 4.956 4.527 -0.001 0.000 0.369 728 F C -0.842 174.742 175.800 -0.360 0.000 1.090 728 F CA -1.053 56.815 58.000 -0.221 0.000 1.129 728 F CB 0.311 39.354 39.000 0.071 0.000 1.367 728 F HN 0.449 nan 8.300 nan 0.000 0.465 729 R N 4.392 124.468 120.500 -0.707 0.000 2.533 729 R HA 0.304 4.644 4.340 -0.000 0.000 0.288 729 R C -1.430 174.726 176.300 -0.240 0.000 1.039 729 R CA -0.662 55.095 56.100 -0.572 0.000 0.909 729 R CB 1.148 31.010 30.300 -0.730 0.000 1.195 729 R HN 0.508 nan 8.270 nan 0.000 0.438 730 N N 3.795 122.438 118.700 -0.094 0.000 2.415 730 N HA 0.074 4.814 4.740 -0.000 0.000 0.246 730 N C -1.434 174.167 175.510 0.152 0.000 1.078 730 N CA 0.213 53.292 53.050 0.049 0.000 0.942 730 N CB 0.488 39.084 38.487 0.183 0.000 1.140 730 N HN 0.664 nan 8.380 nan 0.000 0.501 731 H N 3.236 122.364 119.070 0.096 0.000 2.797 731 H HA 0.422 4.978 4.556 -0.001 0.000 0.372 731 H C -1.274 174.319 175.328 0.442 0.000 1.168 731 H CA -0.638 55.546 56.048 0.227 0.000 1.163 731 H CB 1.906 31.719 29.762 0.084 0.000 1.778 731 H HN 0.616 nan 8.280 nan 0.000 0.551 732 Y N 0.408 120.435 120.300 -0.455 0.000 2.702 732 Y HA 0.205 4.755 4.550 -0.001 0.000 0.336 732 Y C -2.087 173.392 175.900 -0.701 0.000 1.203 732 Y CA -1.229 56.577 58.100 -0.490 0.000 1.072 732 Y CB 0.949 39.263 38.460 -0.242 0.000 1.327 732 Y HN 0.486 nan 8.280 nan 0.000 0.456 733 D N 2.222 121.996 120.400 -1.043 0.000 2.347 733 D HA 0.244 4.884 4.640 -0.000 0.000 0.235 733 D C -0.765 175.265 176.300 -0.449 0.000 1.149 733 D CA -0.225 53.303 54.000 -0.787 0.000 0.850 733 D CB 0.766 41.099 40.800 -0.778 0.000 1.061 733 D HN 0.696 nan 8.370 nan 0.000 0.487 734 R N 3.896 124.085 120.500 -0.519 0.000 2.368 734 R HA 0.287 4.627 4.340 -0.000 0.000 0.302 734 R C -0.943 175.272 176.300 -0.141 0.000 1.002 734 R CA -0.902 55.043 56.100 -0.259 0.000 0.929 734 R CB 0.737 30.852 30.300 -0.307 0.000 1.073 734 R HN 0.540 nan 8.270 nan 0.000 0.464 735 W N 7.285 128.491 121.300 -0.158 0.000 2.311 735 W HA 0.331 4.990 4.660 -0.001 0.000 0.310 735 W C -0.429 176.000 176.519 -0.150 0.000 1.274 735 W CA -0.254 56.993 57.345 -0.164 0.000 1.215 735 W CB 0.407 29.814 29.460 -0.088 0.000 1.227 735 W HN 0.521 nan 8.180 nan 0.000 0.523 736 I N 1.666 121.968 120.570 -0.446 0.000 3.074 736 I HA 0.375 4.544 4.170 -0.000 0.000 0.310 736 I C 0.918 176.564 176.117 -0.785 0.000 1.153 736 I CA -0.976 60.135 61.300 -0.316 0.000 0.993 736 I CB 2.157 40.024 38.000 -0.221 0.000 1.237 736 I HN 0.516 nan 8.210 nan 0.000 0.443 737 E N 1.378 121.362 120.200 -0.361 0.000 2.147 737 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 737 E C 1.526 177.897 176.600 -0.381 0.000 1.005 737 E CA 2.261 58.469 56.400 -0.320 0.000 0.810 737 E CB 0.148 29.811 29.700 -0.062 0.000 0.736 737 E HN 0.786 nan 8.360 nan 0.000 0.460 738 S N -0.907 114.592 115.700 -0.336 0.000 2.577 738 S HA 0.140 4.610 4.470 -0.000 0.000 0.219 738 S C 0.443 174.833 174.600 -0.349 0.000 0.962 738 S CA -0.378 57.660 58.200 -0.268 0.000 0.921 738 S CB 0.420 63.511 63.200 -0.181 0.000 0.789 738 S HN 0.070 nan 8.310 nan 0.000 0.497 739 K N 1.964 122.038 120.400 -0.543 0.000 2.834 739 K HA 0.120 4.440 4.320 -0.000 0.000 0.259 739 K C -1.662 174.373 176.600 -0.942 0.000 1.158 739 K CA -0.096 55.797 56.287 -0.658 0.000 1.068 739 K CB 0.383 32.443 32.500 -0.734 0.000 1.324 739 K HN 0.265 nan 8.250 nan 0.000 0.552 740 D N 2.140 122.055 120.400 -0.808 0.000 2.977 740 D HA 0.015 4.655 4.640 -0.000 0.000 0.241 740 D C -0.283 175.790 176.300 -0.379 0.000 1.206 740 D CA 0.019 53.444 54.000 -0.958 0.000 0.902 740 D CB -0.218 40.346 40.800 -0.392 0.000 1.131 740 D HN 0.488 nan 8.370 nan 0.000 0.447 741 H N -2.597 116.264 119.070 -0.349 0.000 2.894 741 H HA 0.765 5.320 4.556 -0.000 0.000 0.367 741 H C 0.388 175.732 175.328 0.026 0.000 1.144 741 H CA -0.705 55.330 56.048 -0.021 0.000 1.180 741 H CB 1.594 31.361 29.762 0.008 0.000 1.758 741 H HN 0.261 nan 8.280 nan 0.000 0.541 742 G N 1.379 110.356 108.800 0.294 0.000 2.409 742 G HA2 0.016 3.976 3.960 -0.000 0.000 0.421 742 G HA3 0.016 3.976 3.960 -0.000 0.000 0.421 742 G C -1.483 173.546 174.900 0.215 0.000 1.259 742 G CA -0.753 44.456 45.100 0.181 0.000 1.011 742 G HN 0.756 nan 8.290 nan 0.000 0.497 743 K N -0.182 120.315 120.400 0.161 0.000 2.238 743 K HA 0.578 4.897 4.320 -0.000 0.000 0.239 743 K C 0.312 176.997 176.600 0.142 0.000 0.987 743 K CA -0.778 55.576 56.287 0.111 0.000 0.857 743 K CB 1.662 34.207 32.500 0.075 0.000 1.154 743 K HN 0.328 nan 8.250 nan 0.000 0.439 744 D N 0.322 120.717 120.400 -0.007 0.000 2.077 744 D HA -0.090 4.549 4.640 -0.000 0.000 0.193 744 D C 0.342 176.731 176.300 0.148 0.000 0.989 744 D CA 1.839 55.857 54.000 0.031 0.000 0.831 744 D CB -0.081 40.681 40.800 -0.065 0.000 0.979 744 D HN 0.506 nan 8.370 nan 0.000 0.449 745 Y N -2.261 118.034 120.300 -0.007 0.000 2.634 745 Y HA 0.620 5.170 4.550 -0.000 0.000 0.340 745 Y C 0.301 175.933 175.900 -0.446 0.000 1.058 745 Y CA -0.994 57.027 58.100 -0.132 0.000 1.081 745 Y CB 1.478 39.805 38.460 -0.222 0.000 1.295 745 Y HN -0.190 nan 8.280 nan 0.000 0.487 746 Q N -0.314 119.169 119.800 -0.529 0.000 1.921 746 Q HA 0.224 4.564 4.340 -0.000 0.000 0.192 746 Q C -1.110 174.746 176.000 -0.239 0.000 0.755 746 Q CA -0.103 55.378 55.803 -0.536 0.000 0.904 746 Q CB 0.607 28.662 28.738 -1.138 0.000 1.222 746 Q HN 0.839 nan 8.270 nan 0.000 0.417 747 E N 1.103 121.106 120.200 -0.328 0.000 2.465 747 E HA -0.049 4.300 4.350 -0.000 0.000 0.260 747 E C 0.780 177.108 176.600 -0.453 0.000 0.980 747 E CA 0.219 56.323 56.400 -0.493 0.000 0.927 747 E CB 0.579 29.531 29.700 -1.248 0.000 0.934 747 E HN 0.320 nan 8.360 nan 0.000 0.459 748 L N 2.531 123.641 121.223 -0.189 0.000 2.189 748 L HA -0.244 4.095 4.340 -0.000 0.000 0.214 748 L C 1.728 178.537 176.870 -0.102 0.000 1.097 748 L CA 1.319 56.137 54.840 -0.036 0.000 0.764 748 L CB -0.477 41.554 42.059 -0.046 0.000 0.900 748 L HN 0.771 nan 8.230 nan 0.000 0.436 749 Y N -3.628 116.441 120.300 -0.385 0.000 2.578 749 Y HA 0.080 4.630 4.550 -0.000 0.000 0.297 749 Y C 1.967 177.741 175.900 -0.210 0.000 1.176 749 Y CA -0.014 57.930 58.100 -0.260 0.000 1.315 749 Y CB -0.329 37.841 38.460 -0.482 0.000 1.031 749 Y HN 0.051 nan 8.280 nan 0.000 0.524 750 M N -0.032 119.277 119.600 -0.485 0.000 2.505 750 M HA 0.123 4.603 4.480 -0.000 0.000 0.230 750 M C -1.039 174.896 176.300 -0.609 0.000 1.153 750 M CA 0.330 55.250 55.300 -0.633 0.000 0.997 750 M CB -0.523 31.370 32.600 -1.178 0.000 1.606 750 M HN 0.366 nan 8.290 nan 0.000 0.481 751 Y N 0.845 121.075 120.300 -0.118 0.000 2.726 751 Y HA 0.261 4.811 4.550 -0.000 0.000 0.367 751 Y C -1.482 174.432 175.900 0.024 0.000 1.038 751 Y CA -2.021 56.068 58.100 -0.019 0.000 1.174 751 Y CB 0.015 38.492 38.460 0.028 0.000 1.265 751 Y HN 0.099 nan 8.280 nan 0.000 0.622 752 P HA -0.211 nan 4.420 nan 0.000 0.215 752 P C 0.613 177.966 177.300 0.090 0.000 1.157 752 P CA 1.730 64.876 63.100 0.076 0.000 0.874 752 P CB 0.550 32.265 31.700 0.024 0.000 0.790 753 N N 0.044 118.800 118.700 0.093 0.000 2.205 753 N HA -0.154 4.585 4.740 -0.000 0.000 0.186 753 N C 1.292 176.855 175.510 0.090 0.000 1.015 753 N CA 1.248 54.347 53.050 0.081 0.000 0.862 753 N CB -0.463 38.073 38.487 0.083 0.000 0.986 753 N HN 0.344 nan 8.380 nan 0.000 0.429 754 E N -0.801 119.474 120.200 0.126 0.000 2.501 754 E HA 0.210 4.560 4.350 -0.000 0.000 0.201 754 E C 1.160 177.842 176.600 0.136 0.000 1.016 754 E CA -0.207 56.259 56.400 0.110 0.000 0.920 754 E CB 0.196 29.948 29.700 0.088 0.000 1.023 754 E HN 0.280 nan 8.360 nan 0.000 0.474 755 M N 0.631 120.325 119.600 0.157 0.000 2.159 755 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 755 M C 0.587 176.953 176.300 0.109 0.000 1.063 755 M CA 1.552 56.973 55.300 0.201 0.000 1.110 755 M CB 0.148 32.862 32.600 0.190 0.000 1.374 755 M HN 0.084 nan 8.290 nan 0.000 0.411 756 D N -0.369 120.064 120.400 0.055 0.000 2.084 756 D HA -0.124 4.516 4.640 -0.000 0.000 0.196 756 D C 1.824 178.143 176.300 0.033 0.000 0.985 756 D CA 1.761 55.764 54.000 0.004 0.000 0.826 756 D CB -0.728 40.070 40.800 -0.003 0.000 0.978 756 D HN 0.273 nan 8.370 nan 0.000 0.456 757 T N 1.456 116.059 114.554 0.081 0.000 2.635 757 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 757 T C 2.157 176.995 174.700 0.231 0.000 1.040 757 T CA 0.772 62.971 62.100 0.165 0.000 1.156 757 T CB -0.514 68.432 68.868 0.130 0.000 0.863 757 T HN 0.101 nan 8.240 nan 0.000 0.430 758 L N 0.310 121.639 121.223 0.177 0.000 1.990 758 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 758 L C 2.889 179.919 176.870 0.268 0.000 1.072 758 L CA 1.856 56.842 54.840 0.242 0.000 0.755 758 L CB -0.497 41.752 42.059 0.317 0.000 0.889 758 L HN 0.223 nan 8.230 nan 0.000 0.432 759 R N 0.820 121.340 120.500 0.033 0.000 2.092 759 R HA -0.183 4.157 4.340 -0.000 0.000 0.231 759 R C 2.414 178.651 176.300 -0.105 0.000 1.119 759 R CA 1.594 57.482 56.100 -0.353 0.000 0.970 759 R CB -0.085 29.740 30.300 -0.791 0.000 0.864 759 R HN 0.397 nan 8.270 nan 0.000 0.440 760 K N -0.782 119.599 120.400 -0.031 0.000 2.148 760 K HA -0.133 4.187 4.320 -0.000 0.000 0.204 760 K C 1.502 178.067 176.600 -0.058 0.000 1.050 760 K CA 1.342 57.586 56.287 -0.072 0.000 0.942 760 K CB -0.248 32.175 32.500 -0.129 0.000 0.724 760 K HN 0.165 nan 8.250 nan 0.000 0.446 761 F N 1.541 121.502 119.950 0.019 0.000 2.456 761 F HA -0.031 4.495 4.527 -0.001 0.000 0.298 761 F C 2.071 177.934 175.800 0.106 0.000 1.104 761 F CA 0.411 58.453 58.000 0.070 0.000 1.435 761 F CB 0.265 39.297 39.000 0.055 0.000 1.078 761 F HN -0.203 nan 8.300 nan 0.000 0.546 762 V N -0.516 119.544 119.914 0.244 0.000 2.407 762 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 762 V C 1.973 178.154 176.094 0.145 0.000 1.041 762 V CA 1.630 64.054 62.300 0.206 0.000 1.040 762 V CB -0.626 31.323 31.823 0.209 0.000 0.671 762 V HN 0.254 nan 8.190 nan 0.000 0.455 763 E N 0.002 120.239 120.200 0.062 0.000 2.031 763 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 763 E C 2.048 178.701 176.600 0.088 0.000 0.994 763 E CA 1.684 58.111 56.400 0.045 0.000 0.800 763 E CB -0.325 29.377 29.700 0.004 0.000 0.752 763 E HN 0.549 nan 8.360 nan 0.000 0.447 764 F N 2.236 122.102 119.950 -0.141 0.000 2.091 764 F HA -0.281 4.245 4.527 -0.001 0.000 0.299 764 F C 2.452 178.140 175.800 -0.188 0.000 1.103 764 F CA 2.008 59.847 58.000 -0.268 0.000 1.228 764 F CB -0.163 38.584 39.000 -0.420 0.000 0.984 764 F HN -0.182 nan 8.300 nan 0.000 0.477 765 R N -1.001 119.464 120.500 -0.058 0.000 2.097 765 R HA -0.262 4.077 4.340 -0.000 0.000 0.236 765 R C 2.293 178.578 176.300 -0.025 0.000 1.135 765 R CA 2.281 58.328 56.100 -0.087 0.000 0.934 765 R CB -1.121 29.167 30.300 -0.019 0.000 0.846 765 R HN 0.355 nan 8.270 nan 0.000 0.431 766 Y N 0.672 120.919 120.300 -0.089 0.000 2.315 766 Y HA -0.129 4.421 4.550 -0.001 0.000 0.288 766 Y C 2.472 178.296 175.900 -0.126 0.000 1.154 766 Y CA 1.403 59.459 58.100 -0.074 0.000 1.229 766 Y CB -0.128 38.337 38.460 0.007 0.000 0.980 766 Y HN 0.119 nan 8.280 nan 0.000 0.540 767 R N -1.806 118.660 120.500 -0.057 0.000 2.115 767 R HA -0.156 4.183 4.340 -0.000 0.000 0.230 767 R C 0.494 176.737 176.300 -0.096 0.000 1.111 767 R CA 1.025 57.015 56.100 -0.183 0.000 0.976 767 R CB -0.235 29.886 30.300 -0.298 0.000 0.870 767 R HN 0.265 nan 8.270 nan 0.000 0.445 768 W N 2.477 123.612 121.300 -0.276 0.000 3.121 768 W HA 0.113 4.773 4.660 -0.001 0.000 0.441 768 W C 1.163 177.526 176.519 -0.261 0.000 0.878 768 W CA -0.629 56.555 57.345 -0.269 0.000 2.101 768 W CB -0.433 28.830 29.460 -0.328 0.000 1.067 768 W HN 0.277 nan 8.180 nan 0.000 0.834 769 Q N -0.553 119.195 119.800 -0.085 0.000 2.170 769 Q HA -0.181 4.159 4.340 -0.000 0.000 0.203 769 Q C 1.097 176.973 176.000 -0.207 0.000 0.976 769 Q CA 1.361 57.032 55.803 -0.221 0.000 0.858 769 Q CB -0.130 28.396 28.738 -0.354 0.000 0.907 769 Q HN 0.017 nan 8.270 nan 0.000 0.433 770 E N 0.787 120.906 120.200 -0.135 0.000 2.285 770 E HA -0.017 4.333 4.350 -0.000 0.000 0.194 770 E C 2.152 178.684 176.600 -0.114 0.000 0.997 770 E CA 0.559 56.909 56.400 -0.084 0.000 0.845 770 E CB 0.096 29.741 29.700 -0.093 0.000 0.782 770 E HN 0.253 nan 8.360 nan 0.000 0.491 771 V N 1.207 121.022 119.914 -0.165 0.000 2.427 771 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 771 V C 2.349 178.298 176.094 -0.242 0.000 1.051 771 V CA 1.161 63.320 62.300 -0.234 0.000 1.048 771 V CB -0.400 31.189 31.823 -0.390 0.000 0.666 771 V HN 0.182 nan 8.190 nan 0.000 0.456 772 L N -1.636 119.409 121.223 -0.298 0.000 1.993 772 L HA -0.138 4.201 4.340 -0.000 0.000 0.206 772 L C 2.500 178.949 176.870 -0.702 0.000 1.074 772 L CA 1.815 56.343 54.840 -0.521 0.000 0.746 772 L CB -0.819 40.821 42.059 -0.699 0.000 0.896 772 L HN 0.266 nan 8.230 nan 0.000 0.435 773 Y N 1.023 120.815 120.300 -0.847 0.000 2.181 773 Y HA -0.347 4.203 4.550 -0.000 0.000 0.284 773 Y C 2.740 178.426 175.900 -0.357 0.000 1.179 773 Y CA 2.057 59.795 58.100 -0.604 0.000 1.179 773 Y CB -0.710 37.553 38.460 -0.328 0.000 0.973 773 Y HN 0.130 nan 8.280 nan 0.000 0.519 774 T N -0.373 114.063 114.554 -0.196 0.000 2.812 774 T HA -0.071 4.279 4.350 -0.000 0.000 0.264 774 T C 2.082 176.712 174.700 -0.116 0.000 1.042 774 T CA 1.207 63.237 62.100 -0.116 0.000 1.140 774 T CB -0.538 68.328 68.868 -0.003 0.000 0.870 774 T HN 0.429 nan 8.240 nan 0.000 0.445 775 A N 1.041 123.758 122.820 -0.172 0.000 1.969 775 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 775 A C 2.166 179.635 177.584 -0.192 0.000 1.169 775 A CA 1.383 53.330 52.037 -0.151 0.000 0.635 775 A CB -0.581 18.328 19.000 -0.152 0.000 0.810 775 A HN 0.386 nan 8.150 nan 0.000 0.445 776 M N -1.198 118.253 119.600 -0.249 0.000 2.080 776 M HA -0.163 4.317 4.480 -0.000 0.000 0.260 776 M C 1.960 178.047 176.300 -0.356 0.000 1.068 776 M CA 1.873 57.035 55.300 -0.229 0.000 1.109 776 M CB -1.004 31.495 32.600 -0.168 0.000 1.342 776 M HN 0.576 nan 8.290 nan 0.000 0.405 777 Y N 0.300 120.230 120.300 -0.617 0.000 2.256 777 Y HA -0.241 4.308 4.550 -0.000 0.000 0.288 777 Y C 2.089 177.721 175.900 -0.447 0.000 1.155 777 Y CA 2.189 59.852 58.100 -0.728 0.000 1.203 777 Y CB -0.504 37.345 38.460 -1.018 0.000 0.980 777 Y HN 0.429 nan 8.280 nan 0.000 0.530 778 Q N 0.058 119.571 119.800 -0.478 0.000 2.172 778 Q HA -0.171 4.169 4.340 -0.000 0.000 0.200 778 Q C 2.233 178.039 176.000 -0.323 0.000 0.964 778 Q CA 1.194 56.789 55.803 -0.347 0.000 0.855 778 Q CB -0.261 28.454 28.738 -0.037 0.000 0.918 778 Q HN 0.666 nan 8.270 nan 0.000 0.444 779 N N -0.056 118.459 118.700 -0.308 0.000 2.058 779 N HA -0.172 4.567 4.740 -0.000 0.000 0.191 779 N C 1.667 176.966 175.510 -0.353 0.000 1.037 779 N CA 1.192 54.085 53.050 -0.262 0.000 0.848 779 N CB -0.016 38.339 38.487 -0.220 0.000 1.021 779 N HN 0.194 nan 8.380 nan 0.000 0.422 780 A N 0.252 122.801 122.820 -0.452 0.000 2.014 780 A HA 0.143 4.463 4.320 -0.000 0.000 0.218 780 A C 2.082 179.344 177.584 -0.538 0.000 1.163 780 A CA 1.478 53.244 52.037 -0.452 0.000 0.652 780 A CB -0.389 18.349 19.000 -0.437 0.000 0.808 780 A HN 0.519 nan 8.150 nan 0.000 0.449 781 A N -2.434 119.884 122.820 -0.837 0.000 2.063 781 A HA 0.464 4.784 4.320 -0.000 0.000 0.211 781 A C 1.379 178.313 177.584 -1.083 0.000 1.177 781 A CA 0.980 52.317 52.037 -1.165 0.000 0.759 781 A CB -0.024 17.734 19.000 -2.071 0.000 0.857 781 A HN 0.430 nan 8.150 nan 0.000 0.468 782 F N -2.673 117.107 119.950 -0.284 0.000 2.835 782 F HA 0.408 4.935 4.527 -0.000 0.000 0.341 782 F C 1.665 177.387 175.800 -0.129 0.000 0.940 782 F CA 0.040 57.939 58.000 -0.169 0.000 1.125 782 F CB 0.327 39.228 39.000 -0.166 0.000 0.974 782 F HN 0.312 nan 8.300 nan 0.000 0.601 783 G N 0.889 109.669 108.800 -0.033 0.000 2.168 783 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.197 783 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.197 783 G C 0.073 174.949 174.900 -0.039 0.000 0.997 783 G CA -0.542 44.522 45.100 -0.060 0.000 0.658 783 G HN 0.263 nan 8.290 nan 0.000 0.513 784 K N 2.383 122.770 120.400 -0.022 0.000 2.383 784 K HA 0.368 4.688 4.320 -0.000 0.000 0.286 784 K C -2.055 174.504 176.600 -0.067 0.000 1.051 784 K CA -1.206 55.064 56.287 -0.028 0.000 0.974 784 K CB 0.959 33.448 32.500 -0.017 0.000 0.968 784 K HN 0.188 nan 8.250 nan 0.000 0.475 785 P HA -0.071 nan 4.420 nan 0.000 0.266 785 P C 0.505 177.754 177.300 -0.084 0.000 1.195 785 P CA 0.263 63.326 63.100 -0.061 0.000 0.768 785 P CB 0.645 32.325 31.700 -0.032 0.000 0.838 786 I N 2.222 122.750 120.570 -0.069 0.000 2.090 786 I HA -0.132 4.038 4.170 -0.000 0.000 0.236 786 I C 1.286 177.365 176.117 -0.064 0.000 1.064 786 I CA 1.281 62.541 61.300 -0.065 0.000 1.324 786 I CB -0.347 37.645 38.000 -0.013 0.000 1.044 786 I HN 0.228 nan 8.210 nan 0.000 0.399 787 I N 2.480 123.028 120.570 -0.037 0.000 2.395 787 I HA 0.164 4.333 4.170 -0.000 0.000 0.289 787 I C 0.044 176.149 176.117 -0.020 0.000 1.023 787 I CA -0.082 61.208 61.300 -0.018 0.000 1.350 787 I CB 0.794 38.736 38.000 -0.097 0.000 1.409 787 I HN 0.159 nan 8.210 nan 0.000 0.507 788 K N 5.026 125.438 120.400 0.020 0.000 2.221 788 K HA 0.656 4.976 4.320 -0.000 0.000 0.258 788 K C -0.399 176.288 176.600 0.144 0.000 0.944 788 K CA -0.706 55.590 56.287 0.015 0.000 0.823 788 K CB 2.356 34.766 32.500 -0.150 0.000 1.113 788 K HN 0.643 nan 8.250 nan 0.000 0.431 789 A N 1.607 124.503 122.820 0.126 0.000 2.445 789 A HA 0.342 4.662 4.320 -0.000 0.000 0.242 789 A C 1.391 179.088 177.584 0.187 0.000 1.075 789 A CA 0.531 52.659 52.037 0.151 0.000 0.777 789 A CB 0.270 19.317 19.000 0.079 0.000 1.013 789 A HN 0.883 nan 8.150 nan 0.000 0.493 790 A N 1.716 124.652 122.820 0.192 0.000 1.917 790 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 790 A C 2.249 179.915 177.584 0.138 0.000 1.182 790 A CA 2.460 54.601 52.037 0.173 0.000 0.633 790 A CB -1.281 17.796 19.000 0.128 0.000 0.819 790 A HN 1.577 nan 8.150 nan 0.000 0.448 791 S N -0.532 115.202 115.700 0.056 0.000 2.488 791 S HA -0.167 4.303 4.470 -0.000 0.000 0.246 791 S C 1.598 176.166 174.600 -0.054 0.000 0.992 791 S CA 1.729 59.894 58.200 -0.058 0.000 0.963 791 S CB -0.524 62.498 63.200 -0.297 0.000 0.754 791 S HN 0.581 nan 8.310 nan 0.000 0.519 792 M N -0.437 119.201 119.600 0.063 0.000 2.476 792 M HA 0.226 4.706 4.480 -0.000 0.000 0.262 792 M C 0.422 176.764 176.300 0.069 0.000 1.111 792 M CA 0.254 55.612 55.300 0.096 0.000 1.127 792 M CB 0.008 32.756 32.600 0.247 0.000 1.376 792 M HN 0.288 nan 8.290 nan 0.000 0.465 793 Y N 2.027 122.331 120.300 0.006 0.000 2.465 793 Y HA 0.066 4.616 4.550 -0.001 0.000 0.331 793 Y C -0.023 175.815 175.900 -0.102 0.000 1.102 793 Y CA -0.247 57.788 58.100 -0.108 0.000 1.358 793 Y CB 0.235 38.712 38.460 0.030 0.000 1.213 793 Y HN 0.080 nan 8.280 nan 0.000 0.525 794 N N 3.310 121.850 118.700 -0.267 0.000 2.476 794 N HA 0.215 4.955 4.740 -0.000 0.000 0.275 794 N C -0.686 174.796 175.510 -0.047 0.000 1.190 794 N CA -0.233 52.731 53.050 -0.142 0.000 0.977 794 N CB 0.588 38.955 38.487 -0.200 0.000 1.200 794 N HN 0.715 nan 8.380 nan 0.000 0.515 795 N N -0.635 118.053 118.700 -0.020 0.000 2.735 795 N HA -0.211 4.528 4.740 -0.000 0.000 0.248 795 N C -1.728 173.830 175.510 0.079 0.000 1.083 795 N CA 0.621 53.678 53.050 0.011 0.000 0.703 795 N CB -0.715 37.761 38.487 -0.017 0.000 1.005 795 N HN 0.486 nan 8.380 nan 0.000 0.550 796 D N -0.413 120.052 120.400 0.108 0.000 2.696 796 D HA 0.252 4.892 4.640 -0.000 0.000 0.251 796 D C 0.357 176.682 176.300 0.041 0.000 1.188 796 D CA -0.371 53.709 54.000 0.134 0.000 0.876 796 D CB 1.047 42.003 40.800 0.260 0.000 1.334 796 D HN 0.129 nan 8.370 nan 0.000 0.540 797 S N 2.255 117.955 115.700 -0.001 0.000 2.575 797 S HA 0.089 4.559 4.470 -0.000 0.000 0.215 797 S C 0.746 175.265 174.600 -0.136 0.000 0.966 797 S CA -0.119 58.049 58.200 -0.053 0.000 0.911 797 S CB -0.130 63.046 63.200 -0.040 0.000 0.780 797 S HN 0.438 nan 8.310 nan 0.000 0.514 798 N N 0.692 119.252 118.700 -0.232 0.000 2.171 798 N HA 0.168 4.907 4.740 -0.000 0.000 0.212 798 N C 1.270 176.440 175.510 -0.568 0.000 1.184 798 N CA 0.386 53.118 53.050 -0.529 0.000 0.888 798 N CB 0.948 38.820 38.487 -1.025 0.000 1.038 798 N HN 0.330 nan 8.380 nan 0.000 0.517 799 V N -0.294 119.472 119.914 -0.246 0.000 2.515 799 V HA -0.126 3.994 4.120 -0.000 0.000 0.250 799 V C 2.213 178.251 176.094 -0.093 0.000 1.058 799 V CA 1.352 63.588 62.300 -0.107 0.000 1.064 799 V CB -0.565 31.274 31.823 0.027 0.000 0.675 799 V HN 0.255 nan 8.190 nan 0.000 0.461 800 R N 1.213 121.662 120.500 -0.086 0.000 2.115 800 R HA -0.117 4.223 4.340 -0.000 0.000 0.226 800 R C 2.534 178.792 176.300 -0.070 0.000 1.100 800 R CA 1.565 57.648 56.100 -0.028 0.000 0.980 800 R CB -0.281 30.011 30.300 -0.013 0.000 0.875 800 R HN 0.590 nan 8.270 nan 0.000 0.445 801 R N -0.191 120.219 120.500 -0.150 0.000 2.153 801 R HA 0.033 4.372 4.340 -0.000 0.000 0.218 801 R C 1.606 177.812 176.300 -0.157 0.000 1.072 801 R CA 1.299 57.307 56.100 -0.152 0.000 0.990 801 R CB -0.070 30.117 30.300 -0.190 0.000 0.889 801 R HN 0.253 nan 8.270 nan 0.000 0.452 802 A N 1.187 123.878 122.820 -0.216 0.000 2.147 802 A HA -0.046 4.273 4.320 -0.000 0.000 0.211 802 A C 1.814 179.327 177.584 -0.119 0.000 1.160 802 A CA 0.320 52.175 52.037 -0.304 0.000 0.781 802 A CB -0.175 18.515 19.000 -0.516 0.000 0.842 802 A HN 0.615 nan 8.150 nan 0.000 0.475 803 Q N 0.060 119.852 119.800 -0.012 0.000 2.508 803 Q HA -0.146 4.194 4.340 -0.000 0.000 0.214 803 Q C 0.574 176.662 176.000 0.146 0.000 0.979 803 Q CA 1.233 57.097 55.803 0.101 0.000 0.911 803 Q CB -0.497 28.326 28.738 0.142 0.000 0.969 803 Q HN 0.472 nan 8.270 nan 0.000 0.504 804 N N 2.003 120.772 118.700 0.115 0.000 2.381 804 N HA -0.103 4.636 4.740 -0.000 0.000 0.182 804 N C 0.098 175.719 175.510 0.186 0.000 1.025 804 N CA 1.691 54.822 53.050 0.135 0.000 0.888 804 N CB 0.155 38.709 38.487 0.113 0.000 0.965 804 N HN 0.703 nan 8.380 nan 0.000 0.438 805 D N -3.314 117.237 120.400 0.251 0.000 2.530 805 D HA 0.032 4.672 4.640 -0.000 0.000 0.290 805 D C -0.615 175.911 176.300 0.376 0.000 1.398 805 D CA -0.264 53.921 54.000 0.307 0.000 0.848 805 D CB -0.800 40.144 40.800 0.240 0.000 1.279 805 D HN -0.007 nan 8.370 nan 0.000 0.483 806 H N 0.613 119.755 119.070 0.121 0.000 2.504 806 H HA 0.650 5.206 4.556 -0.000 0.000 0.322 806 H C -0.564 174.837 175.328 0.121 0.000 1.055 806 H CA -0.869 55.188 56.048 0.014 0.000 1.231 806 H CB 0.627 30.360 29.762 -0.048 0.000 1.417 806 H HN 0.138 nan 8.280 nan 0.000 0.472 807 F N 0.697 120.703 119.950 0.094 0.000 2.675 807 F HA 0.784 5.311 4.527 -0.001 0.000 0.324 807 F C -1.795 174.050 175.800 0.075 0.000 1.106 807 F CA -1.328 56.727 58.000 0.090 0.000 0.970 807 F CB 1.237 40.288 39.000 0.085 0.000 1.385 807 F HN 0.234 nan 8.300 nan 0.000 0.489 808 L N 2.082 123.494 121.223 0.316 0.000 2.371 808 L HA 0.844 5.184 4.340 -0.000 0.000 0.262 808 L C -0.920 176.031 176.870 0.135 0.000 1.006 808 L CA -0.953 53.995 54.840 0.180 0.000 0.818 808 L CB 2.303 44.512 42.059 0.250 0.000 1.354 808 L HN 0.915 nan 8.230 nan 0.000 0.415 809 L N -0.538 120.716 121.223 0.052 0.000 2.838 809 L HA 1.017 5.357 4.340 -0.000 0.000 0.266 809 L C -0.299 176.504 176.870 -0.112 0.000 1.040 809 L CA -0.466 54.346 54.840 -0.047 0.000 0.906 809 L CB 1.774 43.862 42.059 0.048 0.000 1.501 809 L HN 0.774 nan 8.230 nan 0.000 0.407 810 G N -0.867 107.835 108.800 -0.164 0.000 2.795 810 G HA2 0.453 4.412 3.960 -0.000 0.000 0.664 810 G HA3 0.453 4.412 3.960 -0.000 0.000 0.664 810 G C 0.319 175.112 174.900 -0.178 0.000 1.381 810 G CA 0.028 45.001 45.100 -0.211 0.000 0.853 810 G HN 3.032 nan 8.290 nan 0.000 0.545 811 G N -1.064 107.634 108.800 -0.170 0.000 2.587 811 G HA2 0.188 4.147 3.960 -0.000 0.000 0.212 811 G HA3 0.188 4.147 3.960 -0.000 0.000 0.212 811 G C 0.690 175.598 174.900 0.014 0.000 1.327 811 G CA 1.333 46.394 45.100 -0.066 0.000 0.898 811 G HN 2.674 nan 8.290 nan 0.000 0.551 812 H N -1.014 118.029 119.070 -0.045 0.000 2.363 812 H HA 0.151 4.707 4.556 -0.001 0.000 0.301 812 H C 1.888 177.212 175.328 -0.006 0.000 1.074 812 H CA 1.767 57.804 56.048 -0.018 0.000 1.354 812 H CB 0.012 29.758 29.762 -0.027 0.000 1.397 812 H HN 0.575 nan 8.280 nan 0.000 0.516 813 D N -0.884 119.195 120.400 -0.534 0.000 2.389 813 D HA 0.115 4.755 4.640 -0.000 0.000 0.206 813 D C 1.687 177.936 176.300 -0.086 0.000 1.055 813 D CA 0.536 54.345 54.000 -0.318 0.000 0.856 813 D CB 0.180 40.720 40.800 -0.432 0.000 0.957 813 D HN 0.652 nan 8.370 nan 0.000 0.509 814 G N 0.028 108.743 108.800 -0.142 0.000 2.175 814 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.244 814 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.244 814 G C -0.149 174.528 174.900 -0.372 0.000 0.982 814 G CA 0.155 45.114 45.100 -0.235 0.000 0.641 814 G HN 0.403 nan 8.290 nan 0.000 0.527 815 Y N -0.077 120.168 120.300 -0.091 0.000 2.480 815 Y HA 0.554 5.104 4.550 -0.000 0.000 0.356 815 Y C 1.471 177.381 175.900 0.017 0.000 0.922 815 Y CA -0.939 57.177 58.100 0.026 0.000 1.146 815 Y CB 0.711 39.218 38.460 0.079 0.000 1.185 815 Y HN 0.012 nan 8.280 nan 0.000 0.624 816 R N 0.579 121.113 120.500 0.057 0.000 2.365 816 R HA 0.397 4.737 4.340 -0.000 0.000 0.223 816 R C -0.384 175.926 176.300 0.016 0.000 0.899 816 R CA 0.284 56.366 56.100 -0.029 0.000 1.059 816 R CB 0.844 31.070 30.300 -0.124 0.000 1.086 816 R HN 0.429 nan 8.270 nan 0.000 0.522 817 I N 1.399 122.033 120.570 0.107 0.000 2.478 817 I HA 0.231 4.401 4.170 -0.000 0.000 0.287 817 I C -0.931 175.314 176.117 0.214 0.000 1.042 817 I CA -1.181 60.212 61.300 0.156 0.000 1.067 817 I CB 2.313 40.301 38.000 -0.019 0.000 1.233 817 I HN -0.254 nan 8.210 nan 0.000 0.431 818 L N 6.579 127.927 121.223 0.209 0.000 2.312 818 L HA 0.537 4.876 4.340 -0.000 0.000 0.281 818 L C -0.796 175.993 176.870 -0.135 0.000 1.070 818 L CA 0.203 54.946 54.840 -0.161 0.000 0.805 818 L CB 1.060 42.675 42.059 -0.741 0.000 1.174 818 L HN 0.682 nan 8.230 nan 0.000 0.434 819 C N 3.872 122.883 119.300 -0.480 0.000 2.498 819 C HA 0.856 5.316 4.460 -0.000 0.000 0.316 819 C C 0.305 174.879 174.990 -0.694 0.000 1.209 819 C CA -0.547 58.094 59.018 -0.628 0.000 1.518 819 C CB 0.985 28.043 27.740 -1.136 0.000 2.147 819 C HN 0.908 nan 8.230 nan 0.000 0.483 820 A N 4.276 126.865 122.820 -0.385 0.000 3.448 820 A HA 0.476 4.796 4.320 -0.000 0.000 0.232 820 A C -2.738 174.769 177.584 -0.128 0.000 1.018 820 A CA -0.606 51.187 52.037 -0.407 0.000 0.996 820 A CB -0.026 18.466 19.000 -0.848 0.000 1.283 820 A HN 0.650 nan 8.150 nan 0.000 0.586 821 P HA 0.161 nan 4.420 nan 0.000 0.269 821 P C 0.164 177.499 177.300 0.058 0.000 1.217 821 P CA 0.342 63.471 63.100 0.047 0.000 0.783 821 P CB 0.825 32.584 31.700 0.098 0.000 0.898 822 V N 2.347 122.296 119.914 0.058 0.000 2.488 822 V HA 0.043 4.163 4.120 -0.000 0.000 0.277 822 V C 1.491 177.601 176.094 0.027 0.000 1.046 822 V CA 0.081 62.434 62.300 0.089 0.000 0.986 822 V CB 0.954 32.839 31.823 0.102 0.000 0.989 822 V HN 0.495 nan 8.190 nan 0.000 0.475 823 V N 0.734 120.639 119.914 -0.015 0.000 3.214 823 V HA 0.454 4.574 4.120 -0.000 0.000 0.330 823 V C -0.438 175.343 176.094 -0.522 0.000 1.403 823 V CA -0.337 61.801 62.300 -0.270 0.000 1.143 823 V CB -0.709 30.918 31.823 -0.326 0.000 1.098 823 V HN 0.739 nan 8.190 nan 0.000 0.463 824 W N 0.126 121.446 121.300 0.034 0.000 2.839 824 W HA 0.575 5.234 4.660 -0.001 0.000 0.334 824 W C 0.207 176.742 176.519 0.026 0.000 1.064 824 W CA -0.499 56.868 57.345 0.037 0.000 1.236 824 W CB 1.373 30.866 29.460 0.055 0.000 1.405 824 W HN 0.026 nan 8.180 nan 0.000 0.478 825 E N 1.680 122.038 120.200 0.264 0.000 2.425 825 E HA -0.028 4.322 4.350 -0.000 0.000 0.258 825 E C 0.292 176.996 176.600 0.173 0.000 1.151 825 E CA 0.380 56.881 56.400 0.168 0.000 0.958 825 E CB 0.299 30.079 29.700 0.134 0.000 0.968 825 E HN 0.679 nan 8.360 nan 0.000 0.451 826 N N 0.387 119.158 118.700 0.118 0.000 2.701 826 N HA -0.250 4.490 4.740 -0.000 0.000 0.250 826 N C -1.147 174.419 175.510 0.092 0.000 1.046 826 N CA 0.680 53.786 53.050 0.094 0.000 0.733 826 N CB -0.719 37.818 38.487 0.083 0.000 0.973 826 N HN 0.181 nan 8.380 nan 0.000 0.541 827 S N -0.770 114.996 115.700 0.110 0.000 2.532 827 S HA 0.670 5.140 4.470 -0.000 0.000 0.301 827 S C 0.668 175.322 174.600 0.090 0.000 1.083 827 S CA -0.038 58.229 58.200 0.111 0.000 1.025 827 S CB 1.401 64.706 63.200 0.174 0.000 1.056 827 S HN 0.333 nan 8.310 nan 0.000 0.494 828 T N 0.065 114.667 114.554 0.079 0.000 3.393 828 T HA 0.498 4.847 4.350 -0.000 0.000 0.298 828 T C -0.563 174.180 174.700 0.070 0.000 1.004 828 T CA -0.397 61.742 62.100 0.064 0.000 0.956 828 T CB -0.396 68.497 68.868 0.042 0.000 1.182 828 T HN 0.722 nan 8.240 nan 0.000 0.497 829 E N 0.188 120.450 120.200 0.103 0.000 2.396 829 E HA 0.711 5.061 4.350 -0.000 0.000 0.280 829 E C -0.967 175.739 176.600 0.177 0.000 1.065 829 E CA -1.239 55.239 56.400 0.131 0.000 0.831 829 E CB 1.039 30.805 29.700 0.109 0.000 1.272 829 E HN 0.406 nan 8.360 nan 0.000 0.443 830 R N -0.370 120.262 120.500 0.220 0.000 2.781 830 R HA 0.567 4.907 4.340 -0.000 0.000 0.269 830 R C -1.165 175.274 176.300 0.232 0.000 1.025 830 R CA -1.098 55.141 56.100 0.232 0.000 0.914 830 R CB 1.210 31.655 30.300 0.241 0.000 1.236 830 R HN 0.604 nan 8.270 nan 0.000 0.465 831 E N 1.622 121.947 120.200 0.209 0.000 2.130 831 E HA 0.320 4.669 4.350 -0.000 0.000 0.284 831 E C -1.385 175.295 176.600 0.133 0.000 1.018 831 E CA -0.745 55.742 56.400 0.145 0.000 0.817 831 E CB 1.061 30.845 29.700 0.139 0.000 1.078 831 E HN 0.519 nan 8.360 nan 0.000 0.396 832 L N 5.955 127.208 121.223 0.050 0.000 2.341 832 L HA 0.441 4.781 4.340 -0.000 0.000 0.278 832 L C -1.811 175.027 176.870 -0.054 0.000 1.005 832 L CA -0.757 54.122 54.840 0.065 0.000 0.818 832 L CB 1.289 43.201 42.059 -0.245 0.000 1.259 832 L HN 0.556 nan 8.230 nan 0.000 0.418 833 Y N 5.366 125.596 120.300 -0.116 0.000 2.341 833 Y HA 0.645 5.195 4.550 -0.000 0.000 0.338 833 Y C -1.384 174.287 175.900 -0.383 0.000 0.965 833 Y CA -0.910 57.009 58.100 -0.302 0.000 1.108 833 Y CB 1.293 39.544 38.460 -0.350 0.000 1.180 833 Y HN 0.594 nan 8.280 nan 0.000 0.458 834 L N 8.620 129.074 121.223 -1.281 0.000 2.312 834 L HA 0.467 4.807 4.340 -0.000 0.000 0.281 834 L C -2.321 173.700 176.870 -1.415 0.000 1.070 834 L CA -2.119 51.941 54.840 -1.299 0.000 0.805 834 L CB 1.162 42.631 42.059 -0.983 0.000 1.174 834 L HN 0.530 nan 8.230 nan 0.000 0.434 835 P HA 0.046 nan 4.420 nan 0.000 0.276 835 P C -0.357 176.826 177.300 -0.195 0.000 1.230 835 P CA -0.157 62.596 63.100 -0.580 0.000 0.776 835 P CB 1.128 32.181 31.700 -1.079 0.000 0.888 836 V N 5.972 125.865 119.914 -0.035 0.000 2.924 836 V HA 0.119 4.239 4.120 -0.000 0.000 0.305 836 V C 1.103 177.309 176.094 0.187 0.000 1.073 836 V CA 0.277 62.629 62.300 0.087 0.000 1.098 836 V CB -0.545 31.351 31.823 0.121 0.000 1.000 836 V HN 0.588 nan 8.190 nan 0.000 0.484 837 L N 2.646 123.929 121.223 0.101 0.000 4.692 837 L HA -0.126 4.213 4.340 -0.000 0.000 0.400 837 L C 0.286 177.170 176.870 0.023 0.000 0.912 837 L CA 0.921 55.800 54.840 0.066 0.000 1.662 837 L CB -2.090 40.015 42.059 0.077 0.000 1.814 837 L HN 0.874 nan 8.230 nan 0.000 0.580 838 T N -1.054 113.494 114.554 -0.009 0.000 2.841 838 T HA 0.596 4.946 4.350 -0.000 0.000 0.296 838 T C -1.079 173.448 174.700 -0.288 0.000 1.166 838 T CA -0.511 61.480 62.100 -0.182 0.000 1.007 838 T CB 2.166 70.856 68.868 -0.297 0.000 1.253 838 T HN 0.096 nan 8.240 nan 0.000 0.511 839 Q N 0.958 120.529 119.800 -0.383 0.000 2.226 839 Q HA 0.465 4.805 4.340 -0.000 0.000 0.256 839 Q C -1.299 174.314 176.000 -0.646 0.000 0.962 839 Q CA -0.305 55.265 55.803 -0.388 0.000 0.887 839 Q CB 1.746 30.302 28.738 -0.304 0.000 1.282 839 Q HN 0.666 nan 8.270 nan 0.000 0.449 840 W N 0.628 121.688 121.300 -0.399 0.000 2.844 840 W HA 0.471 5.131 4.660 -0.001 0.000 0.340 840 W C -1.021 175.268 176.519 -0.382 0.000 1.093 840 W CA -0.503 56.656 57.345 -0.310 0.000 1.212 840 W CB 1.197 30.498 29.460 -0.265 0.000 1.422 840 W HN 0.417 nan 8.180 nan 0.000 0.515 841 Y N 1.416 121.936 120.300 0.366 0.000 2.361 841 Y HA 0.294 4.844 4.550 -0.000 0.000 0.337 841 Y C 0.319 176.357 175.900 0.230 0.000 0.965 841 Y CA -1.692 56.558 58.100 0.251 0.000 1.091 841 Y CB 1.693 40.246 38.460 0.154 0.000 1.182 841 Y HN 0.172 nan 8.280 nan 0.000 0.450 842 K N 3.156 123.698 120.400 0.236 0.000 2.453 842 K HA 0.135 4.455 4.320 -0.000 0.000 0.280 842 K C -1.293 174.988 176.600 -0.530 0.000 1.045 842 K CA 0.517 56.714 56.287 -0.150 0.000 1.059 842 K CB 0.209 32.689 32.500 -0.034 0.000 0.901 842 K HN 0.560 nan 8.250 nan 0.000 0.475 843 F N 1.146 120.781 119.950 -0.525 0.000 2.679 843 F HA 0.711 5.238 4.527 -0.001 0.000 0.341 843 F C 0.387 176.130 175.800 -0.096 0.000 1.095 843 F CA 0.180 57.994 58.000 -0.310 0.000 1.004 843 F CB 2.291 41.349 39.000 0.096 0.000 1.388 843 F HN 0.671 nan 8.300 nan 0.000 0.505 844 G N 1.030 109.519 108.800 -0.518 0.000 2.352 844 G HA2 0.186 4.146 3.960 -0.000 0.000 0.302 844 G HA3 0.186 4.146 3.960 -0.000 0.000 0.302 844 G C -2.834 171.302 174.900 -1.274 0.000 1.370 844 G CA -0.716 43.744 45.100 -1.066 0.000 0.918 844 G HN 0.299 nan 8.290 nan 0.000 0.610 845 P HA -0.011 nan 4.420 nan 0.000 0.220 845 P C 0.979 177.979 177.300 -0.501 0.000 1.144 845 P CA 1.359 63.976 63.100 -0.805 0.000 0.800 845 P CB 0.229 31.395 31.700 -0.890 0.000 0.772 846 D N -1.919 118.159 120.400 -0.536 0.000 2.194 846 D HA -0.006 4.634 4.640 -0.000 0.000 0.204 846 D C 1.431 177.449 176.300 -0.469 0.000 0.964 846 D CA 0.810 54.530 54.000 -0.466 0.000 0.846 846 D CB -0.506 39.968 40.800 -0.544 0.000 0.962 846 D HN 0.210 nan 8.370 nan 0.000 0.490 847 F N 0.616 120.293 119.950 -0.455 0.000 2.748 847 F HA -0.026 4.501 4.527 -0.000 0.000 0.299 847 F C 1.917 177.556 175.800 -0.269 0.000 1.154 847 F CA 0.152 57.905 58.000 -0.411 0.000 1.446 847 F CB 0.208 38.795 39.000 -0.688 0.000 1.112 847 F HN -0.175 nan 8.300 nan 0.000 0.584 848 D N 0.033 120.388 120.400 -0.074 0.000 2.144 848 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 848 D C 1.851 178.249 176.300 0.163 0.000 0.984 848 D CA 1.710 55.794 54.000 0.139 0.000 0.834 848 D CB -0.041 40.874 40.800 0.193 0.000 0.955 848 D HN 0.170 nan 8.370 nan 0.000 0.465 849 T N -2.558 112.029 114.554 0.055 0.000 3.269 849 T HA 0.321 4.670 4.350 -0.000 0.000 0.269 849 T C -0.067 174.644 174.700 0.018 0.000 0.993 849 T CA -0.707 61.423 62.100 0.051 0.000 0.909 849 T CB -0.285 68.585 68.868 0.004 0.000 1.115 849 T HN 0.256 nan 8.240 nan 0.000 0.543 850 K N -1.261 119.163 120.400 0.039 0.000 2.587 850 K HA 0.619 4.939 4.320 -0.000 0.000 0.276 850 K C -3.600 173.078 176.600 0.130 0.000 0.956 850 K CA -2.127 54.178 56.287 0.030 0.000 0.857 850 K CB 0.360 32.812 32.500 -0.079 0.000 1.431 850 K HN -0.255 nan 8.250 nan 0.000 0.420 851 P HA -0.047 nan 4.420 nan 0.000 0.265 851 P C -0.322 177.162 177.300 0.306 0.000 1.187 851 P CA 0.023 63.222 63.100 0.165 0.000 0.766 851 P CB 0.342 32.110 31.700 0.113 0.000 0.820 852 L N 1.667 123.063 121.223 0.288 0.000 2.479 852 L HA 0.077 4.417 4.340 -0.000 0.000 0.270 852 L C 1.444 178.493 176.870 0.297 0.000 1.236 852 L CA 0.231 55.258 54.840 0.312 0.000 0.823 852 L CB -0.199 41.942 42.059 0.137 0.000 1.098 852 L HN 0.455 nan 8.230 nan 0.000 0.500 853 E N 0.168 120.564 120.200 0.327 0.000 4.111 853 E HA 0.337 4.687 4.350 -0.000 0.000 0.312 853 E C 0.072 176.847 176.600 0.292 0.000 1.208 853 E CA -0.558 56.020 56.400 0.296 0.000 1.785 853 E CB 0.291 30.181 29.700 0.317 0.000 1.660 853 E HN 0.697 nan 8.360 nan 0.000 0.734 854 G N -0.453 108.501 108.800 0.257 0.000 2.420 854 G HA2 0.436 4.396 3.960 -0.000 0.000 0.284 854 G HA3 0.436 4.396 3.960 -0.000 0.000 0.284 854 G C -0.477 174.565 174.900 0.237 0.000 1.177 854 G CA -0.219 45.027 45.100 0.244 0.000 0.841 854 G HN 0.509 nan 8.290 nan 0.000 0.527 855 A N 1.829 124.764 122.820 0.191 0.000 2.603 855 A HA 0.276 4.595 4.320 -0.000 0.000 0.235 855 A C 0.570 178.111 177.584 -0.072 0.000 1.035 855 A CA 0.632 52.572 52.037 -0.162 0.000 0.755 855 A CB -0.163 18.746 19.000 -0.151 0.000 0.954 855 A HN 0.632 nan 8.150 nan 0.000 0.511 856 M N 3.033 122.564 119.600 -0.116 0.000 2.072 856 M HA 0.154 4.634 4.480 -0.000 0.000 0.331 856 M C -0.360 175.910 176.300 -0.050 0.000 1.004 856 M CA -0.347 54.937 55.300 -0.027 0.000 0.952 856 M CB 0.836 33.451 32.600 0.025 0.000 1.511 856 M HN 0.775 nan 8.290 nan 0.000 0.422 857 N N 1.858 120.531 118.700 -0.044 0.000 2.294 857 N HA 0.078 4.818 4.740 -0.000 0.000 0.263 857 N C 0.399 175.885 175.510 -0.040 0.000 1.281 857 N CA 0.595 53.620 53.050 -0.042 0.000 0.846 857 N CB 0.427 38.895 38.487 -0.031 0.000 1.061 857 N HN 0.783 nan 8.380 nan 0.000 0.478 858 G N 0.624 109.428 108.800 0.007 0.000 2.441 858 G HA2 0.402 4.362 3.960 -0.000 0.000 0.243 858 G HA3 0.402 4.362 3.960 -0.000 0.000 0.243 858 G C 1.033 175.875 174.900 -0.098 0.000 1.281 858 G CA -0.148 44.969 45.100 0.029 0.000 0.854 858 G HN 0.869 nan 8.290 nan 0.000 0.560 859 G N 1.423 110.048 108.800 -0.291 0.000 2.175 859 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 859 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 859 G C 0.110 174.915 174.900 -0.157 0.000 0.982 859 G CA 0.230 45.200 45.100 -0.217 0.000 0.641 859 G HN 0.782 nan 8.290 nan 0.000 0.527 860 D N 0.226 120.465 120.400 -0.269 0.000 2.350 860 D HA 0.459 5.098 4.640 -0.000 0.000 0.249 860 D C 0.671 176.869 176.300 -0.171 0.000 1.119 860 D CA -0.001 53.902 54.000 -0.163 0.000 0.886 860 D CB 0.751 41.452 40.800 -0.165 0.000 1.195 860 D HN 0.362 nan 8.370 nan 0.000 0.437 861 R N 3.088 123.551 120.500 -0.062 0.000 2.265 861 R HA 0.438 4.778 4.340 -0.000 0.000 0.328 861 R C -0.756 175.361 176.300 -0.304 0.000 0.969 861 R CA -0.550 55.460 56.100 -0.149 0.000 0.832 861 R CB 0.331 30.529 30.300 -0.172 0.000 1.139 861 R HN 0.418 nan 8.270 nan 0.000 0.457 862 I N 5.517 125.920 120.570 -0.278 0.000 2.339 862 I HA 0.244 4.414 4.170 -0.000 0.000 0.290 862 I C -0.722 175.268 176.117 -0.211 0.000 0.994 862 I CA -0.945 60.255 61.300 -0.167 0.000 1.191 862 I CB 1.062 39.078 38.000 0.028 0.000 1.343 862 I HN 0.516 nan 8.210 nan 0.000 0.458 863 Y N 5.399 125.759 120.300 0.101 0.000 2.304 863 Y HA 0.282 4.832 4.550 -0.000 0.000 0.328 863 Y C 1.212 177.184 175.900 0.120 0.000 1.123 863 Y CA -0.514 57.647 58.100 0.101 0.000 1.218 863 Y CB 0.413 38.915 38.460 0.071 0.000 1.207 863 Y HN 0.620 nan 8.280 nan 0.000 0.495 864 N N 0.272 119.131 118.700 0.265 0.000 2.979 864 N HA -0.288 4.452 4.740 -0.000 0.000 0.234 864 N C -0.642 174.986 175.510 0.196 0.000 0.938 864 N CA 0.236 53.406 53.050 0.200 0.000 0.961 864 N CB -1.361 37.225 38.487 0.166 0.000 1.089 864 N HN 0.748 nan 8.380 nan 0.000 0.576 865 Y N 3.894 124.253 120.300 0.099 0.000 2.916 865 Y HA -0.000 4.550 4.550 -0.001 0.000 0.344 865 Y C -1.693 174.264 175.900 0.096 0.000 1.282 865 Y CA -0.275 57.881 58.100 0.094 0.000 1.604 865 Y CB 0.460 38.977 38.460 0.095 0.000 1.207 865 Y HN 0.094 nan 8.280 nan 0.000 0.561 866 P HA 0.084 nan 4.420 nan 0.000 0.276 866 P C -1.250 175.946 177.300 -0.174 0.000 1.243 866 P CA 0.055 63.050 63.100 -0.174 0.000 0.768 866 P CB 1.233 32.823 31.700 -0.183 0.000 0.856 867 V N 5.801 125.705 119.914 -0.017 0.000 2.380 867 V HA 0.225 4.345 4.120 -0.000 0.000 0.268 867 V C -2.204 173.906 176.094 0.025 0.000 1.008 867 V CA -2.018 60.298 62.300 0.026 0.000 0.823 867 V CB 1.180 33.064 31.823 0.102 0.000 1.053 867 V HN 0.432 nan 8.190 nan 0.000 0.446 868 P HA 0.002 nan 4.420 nan 0.000 0.270 868 P C 1.013 178.327 177.300 0.023 0.000 1.221 868 P CA 0.216 63.324 63.100 0.013 0.000 0.788 868 P CB 0.767 32.468 31.700 0.002 0.000 0.904 869 Q N 1.388 121.201 119.800 0.022 0.000 2.112 869 Q HA -0.207 4.133 4.340 -0.000 0.000 0.206 869 Q C 1.362 177.368 176.000 0.010 0.000 0.987 869 Q CA 2.414 58.225 55.803 0.014 0.000 0.858 869 Q CB -0.416 28.332 28.738 0.017 0.000 0.905 869 Q HN 0.571 nan 8.270 nan 0.000 0.420 870 S N -0.455 115.268 115.700 0.037 0.000 2.803 870 S HA 0.053 4.523 4.470 -0.000 0.000 0.226 870 S C 0.060 174.766 174.600 0.177 0.000 0.962 870 S CA 0.034 58.289 58.200 0.092 0.000 0.968 870 S CB -0.036 63.200 63.200 0.061 0.000 0.786 870 S HN 0.277 nan 8.310 nan 0.000 0.527 871 E N 0.073 120.345 120.200 0.120 0.000 2.428 871 E HA 0.710 5.060 4.350 -0.000 0.000 0.259 871 E C -1.143 175.534 176.600 0.129 0.000 0.930 871 E CA -0.990 55.516 56.400 0.178 0.000 0.823 871 E CB 1.961 31.712 29.700 0.086 0.000 1.403 871 E HN 0.134 nan 8.360 nan 0.000 0.415 872 S N 0.351 116.148 115.700 0.163 0.000 2.602 872 S HA 0.261 4.731 4.470 -0.000 0.000 0.301 872 S C -3.013 171.640 174.600 0.088 0.000 1.091 872 S CA -1.015 57.244 58.200 0.100 0.000 0.895 872 S CB 1.249 64.485 63.200 0.060 0.000 1.090 872 S HN 0.154 nan 8.310 nan 0.000 0.449 873 P HA 0.463 nan 4.420 nan 0.000 0.273 873 P C -1.039 176.204 177.300 -0.095 0.000 1.428 873 P CA -0.001 63.108 63.100 0.015 0.000 0.995 873 P CB -0.251 31.577 31.700 0.214 0.000 1.286 874 I N 3.751 124.129 120.570 -0.320 0.000 2.509 874 I HA 0.501 4.671 4.170 -0.000 0.000 0.293 874 I C -0.224 175.640 176.117 -0.422 0.000 1.020 874 I CA -0.843 60.387 61.300 -0.117 0.000 1.088 874 I CB 1.553 39.656 38.000 0.171 0.000 1.267 874 I HN 0.099 nan 8.210 nan 0.000 0.430 875 F N 3.970 124.001 119.950 0.134 0.000 2.576 875 F HA 0.609 5.136 4.527 -0.000 0.000 0.313 875 F C -0.375 175.587 175.800 0.270 0.000 1.078 875 F CA -1.145 56.976 58.000 0.201 0.000 0.921 875 F CB 1.996 41.052 39.000 0.093 0.000 1.232 875 F HN -0.038 nan 8.300 nan 0.000 0.459 876 V N 2.451 122.543 119.914 0.296 0.000 2.417 876 V HA 0.441 4.560 4.120 -0.000 0.000 0.291 876 V C 0.105 176.188 176.094 -0.017 0.000 1.024 876 V CA -0.934 61.308 62.300 -0.096 0.000 0.861 876 V CB 1.513 32.763 31.823 -0.955 0.000 0.985 876 V HN 0.709 nan 8.190 nan 0.000 0.436 877 R N 3.172 123.555 120.500 -0.194 0.000 2.643 877 R HA 0.173 4.513 4.340 -0.000 0.000 0.270 877 R C 0.626 176.781 176.300 -0.241 0.000 1.061 877 R CA -0.321 55.448 56.100 -0.551 0.000 1.107 877 R CB 0.640 30.500 30.300 -0.733 0.000 0.999 877 R HN 0.929 nan 8.270 nan 0.000 0.460 878 E N 1.762 121.843 120.200 -0.199 0.000 2.438 878 E HA 0.068 4.418 4.350 -0.000 0.000 0.261 878 E C 0.436 177.009 176.600 -0.045 0.000 1.103 878 E CA 0.273 56.697 56.400 0.039 0.000 0.959 878 E CB 0.374 30.092 29.700 0.031 0.000 0.958 878 E HN 0.814 nan 8.360 nan 0.000 0.447 879 G N 0.854 109.659 108.800 0.009 0.000 2.159 879 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.256 879 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.256 879 G C 0.142 175.014 174.900 -0.046 0.000 0.977 879 G CA 0.043 45.122 45.100 -0.035 0.000 0.652 879 G HN 0.983 nan 8.290 nan 0.000 0.531 880 A N 0.012 122.828 122.820 -0.007 0.000 2.274 880 A HA 0.814 5.133 4.320 -0.000 0.000 0.309 880 A C 0.147 177.794 177.584 0.105 0.000 1.226 880 A CA -0.456 51.578 52.037 -0.004 0.000 0.853 880 A CB 0.641 19.555 19.000 -0.143 0.000 1.146 880 A HN 0.715 nan 8.150 nan 0.000 0.518 881 I N 2.515 123.127 120.570 0.070 0.000 2.412 881 I HA 0.412 4.581 4.170 -0.000 0.000 0.296 881 I C -0.679 175.507 176.117 0.115 0.000 0.987 881 I CA -0.367 61.015 61.300 0.136 0.000 1.180 881 I CB 1.619 39.671 38.000 0.087 0.000 1.340 881 I HN 0.452 nan 8.210 nan 0.000 0.455 882 L N 7.256 128.568 121.223 0.148 0.000 2.376 882 L HA 0.483 4.823 4.340 -0.000 0.000 0.275 882 L C -2.454 174.389 176.870 -0.045 0.000 0.987 882 L CA -2.017 52.829 54.840 0.011 0.000 0.828 882 L CB 2.004 44.037 42.059 -0.043 0.000 1.249 882 L HN 0.283 nan 8.230 nan 0.000 0.409 883 P HA 0.134 nan 4.420 nan 0.000 0.268 883 P C -0.688 176.502 177.300 -0.183 0.000 1.204 883 P CA 0.055 62.907 63.100 -0.412 0.000 0.768 883 P CB 1.055 32.520 31.700 -0.390 0.000 0.842 884 T N 3.825 118.284 114.554 -0.158 0.000 2.900 884 T HA 0.510 4.860 4.350 -0.000 0.000 0.295 884 T C -0.316 174.303 174.700 -0.135 0.000 1.044 884 T CA -0.730 61.350 62.100 -0.033 0.000 0.995 884 T CB 1.465 70.377 68.868 0.073 0.000 1.072 884 T HN 0.230 nan 8.240 nan 0.000 0.473 885 R N 1.174 121.542 120.500 -0.220 0.000 2.740 885 R HA 0.670 5.010 4.340 -0.000 0.000 0.282 885 R C -1.570 174.559 176.300 -0.285 0.000 0.969 885 R CA -0.767 55.265 56.100 -0.113 0.000 0.918 885 R CB 1.516 31.839 30.300 0.039 0.000 1.175 885 R HN 0.668 nan 8.270 nan 0.000 0.464 886 Y N -1.121 119.295 120.300 0.193 0.000 2.553 886 Y HA 0.296 4.846 4.550 -0.001 0.000 0.347 886 Y C 0.665 176.561 175.900 -0.007 0.000 1.019 886 Y CA -0.861 57.307 58.100 0.113 0.000 1.032 886 Y CB 1.976 40.440 38.460 0.007 0.000 1.284 886 Y HN 0.584 nan 8.280 nan 0.000 0.466 887 T N -0.554 114.065 114.554 0.109 0.000 2.910 887 T HA 0.220 4.570 4.350 -0.000 0.000 0.293 887 T C 0.741 175.397 174.700 -0.073 0.000 1.015 887 T CA -0.593 61.428 62.100 -0.133 0.000 1.094 887 T CB 1.026 69.816 68.868 -0.130 0.000 0.968 887 T HN 0.639 nan 8.240 nan 0.000 0.521 888 L N 2.653 123.808 121.223 -0.113 0.000 2.027 888 L HA 0.004 4.344 4.340 -0.000 0.000 0.206 888 L C 2.149 179.017 176.870 -0.003 0.000 1.074 888 L CA 2.197 57.002 54.840 -0.058 0.000 0.745 888 L CB -1.126 40.904 42.059 -0.049 0.000 0.898 888 L HN 0.958 nan 8.230 nan 0.000 0.433 889 N N -0.942 117.743 118.700 -0.025 0.000 2.412 889 N HA 0.135 4.875 4.740 -0.000 0.000 0.184 889 N C 1.352 176.860 175.510 -0.002 0.000 1.101 889 N CA 0.929 53.971 53.050 -0.013 0.000 0.881 889 N CB 0.094 38.567 38.487 -0.023 0.000 0.969 889 N HN 0.398 nan 8.380 nan 0.000 0.459 890 G N -0.844 107.964 108.800 0.014 0.000 2.213 890 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.236 890 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.236 890 G C -0.215 174.701 174.900 0.028 0.000 0.991 890 G CA 0.177 45.296 45.100 0.032 0.000 0.629 890 G HN 0.486 nan 8.290 nan 0.000 0.517 891 E N 0.670 120.877 120.200 0.011 0.000 2.369 891 E HA 0.317 4.667 4.350 -0.000 0.000 0.255 891 E C -0.409 176.210 176.600 0.031 0.000 1.172 891 E CA -0.642 55.767 56.400 0.014 0.000 0.932 891 E CB 0.361 30.065 29.700 0.007 0.000 1.040 891 E HN 0.199 nan 8.360 nan 0.000 0.454 892 N N 2.487 121.208 118.700 0.036 0.000 2.437 892 N HA 0.069 4.809 4.740 -0.000 0.000 0.243 892 N C -0.290 175.268 175.510 0.080 0.000 1.041 892 N CA 0.027 53.108 53.050 0.052 0.000 0.940 892 N CB 0.776 39.272 38.487 0.016 0.000 1.133 892 N HN 0.407 nan 8.380 nan 0.000 0.506 893 K N -0.915 119.559 120.400 0.124 0.000 2.316 893 K HA 0.555 4.875 4.320 -0.000 0.000 0.234 893 K C -0.069 176.716 176.600 0.308 0.000 1.054 893 K CA -0.804 55.582 56.287 0.164 0.000 0.879 893 K CB 0.814 33.376 32.500 0.103 0.000 1.252 893 K HN 0.263 nan 8.250 nan 0.000 0.471 894 S N 0.399 116.266 115.700 0.279 0.000 2.580 894 S HA 0.131 4.601 4.470 -0.000 0.000 0.274 894 S C 1.484 176.324 174.600 0.400 0.000 1.329 894 S CA -0.823 57.564 58.200 0.310 0.000 1.036 894 S CB 0.282 63.537 63.200 0.091 0.000 0.919 894 S HN 0.659 nan 8.310 nan 0.000 0.515 895 L N 2.005 123.362 121.223 0.222 0.000 2.034 895 L HA -0.285 4.054 4.340 -0.000 0.000 0.217 895 L C 2.648 179.544 176.870 0.044 0.000 1.077 895 L CA 2.351 57.079 54.840 -0.187 0.000 0.769 895 L CB -1.172 40.660 42.059 -0.380 0.000 0.890 895 L HN 0.958 nan 8.230 nan 0.000 0.435 896 N N -0.499 118.252 118.700 0.085 0.000 2.453 896 N HA -0.159 4.581 4.740 -0.000 0.000 0.183 896 N C 1.296 176.985 175.510 0.297 0.000 1.041 896 N CA 1.462 54.620 53.050 0.180 0.000 0.900 896 N CB -0.454 38.072 38.487 0.066 0.000 0.961 896 N HN 0.411 nan 8.380 nan 0.000 0.443 897 T N -4.459 110.253 114.554 0.263 0.000 3.163 897 T HA 0.158 4.507 4.350 -0.000 0.000 0.252 897 T C -0.221 174.617 174.700 0.231 0.000 1.056 897 T CA -0.598 61.628 62.100 0.211 0.000 0.947 897 T CB -0.672 68.279 68.868 0.139 0.000 1.016 897 T HN 0.022 nan 8.240 nan 0.000 0.554 898 Y N 3.394 123.744 120.300 0.084 0.000 2.411 898 Y HA 0.452 5.001 4.550 -0.000 0.000 0.333 898 Y C 1.368 177.310 175.900 0.069 0.000 1.186 898 Y CA -0.512 57.633 58.100 0.075 0.000 1.381 898 Y CB 0.839 39.343 38.460 0.072 0.000 1.273 898 Y HN 0.334 nan 8.280 nan 0.000 0.546 899 T N -2.252 112.391 114.554 0.149 0.000 2.888 899 T HA 0.287 4.637 4.350 -0.000 0.000 0.288 899 T C 0.298 175.045 174.700 0.079 0.000 1.063 899 T CA -0.932 61.225 62.100 0.094 0.000 1.010 899 T CB 1.378 70.258 68.868 0.021 0.000 1.214 899 T HN 0.396 nan 8.240 nan 0.000 0.533 900 D N 0.383 120.757 120.400 -0.043 0.000 2.378 900 D HA -0.011 4.629 4.640 -0.000 0.000 0.222 900 D C 1.527 177.695 176.300 -0.221 0.000 0.980 900 D CA 0.510 54.319 54.000 -0.320 0.000 0.907 900 D CB 0.075 40.358 40.800 -0.863 0.000 0.899 900 D HN 0.541 nan 8.370 nan 0.000 0.527 901 E N 0.545 120.697 120.200 -0.081 0.000 2.427 901 E HA -0.039 4.310 4.350 -0.000 0.000 0.196 901 E C 0.040 176.659 176.600 0.030 0.000 1.028 901 E CA 0.380 56.767 56.400 -0.022 0.000 0.864 901 E CB -0.056 29.626 29.700 -0.031 0.000 0.813 901 E HN 0.344 nan 8.360 nan 0.000 0.514 902 D N 2.962 123.392 120.400 0.050 0.000 2.374 902 D HA 0.136 4.776 4.640 -0.000 0.000 0.240 902 D C -2.358 174.049 176.300 0.179 0.000 1.229 902 D CA -1.669 52.349 54.000 0.031 0.000 0.895 902 D CB 0.732 41.484 40.800 -0.080 0.000 1.046 902 D HN -0.110 nan 8.370 nan 0.000 0.498 903 P HA -0.139 nan 4.420 nan 0.000 0.261 903 P C -0.204 177.317 177.300 0.368 0.000 1.158 903 P CA 0.031 63.262 63.100 0.219 0.000 0.758 903 P CB 0.391 31.844 31.700 -0.411 0.000 0.763 904 L N 6.224 127.746 121.223 0.498 0.000 2.264 904 L HA 0.461 4.801 4.340 -0.000 0.000 0.289 904 L C -0.967 176.144 176.870 0.401 0.000 1.044 904 L CA -0.184 54.811 54.840 0.259 0.000 0.807 904 L CB 1.167 43.170 42.059 -0.093 0.000 1.192 904 L HN 0.056 nan 8.230 nan 0.000 0.425 905 V N 5.671 125.719 119.914 0.223 0.000 2.656 905 V HA 0.439 4.559 4.120 -0.000 0.000 0.307 905 V C -0.743 175.407 176.094 0.093 0.000 1.051 905 V CA -0.396 62.146 62.300 0.402 0.000 0.893 905 V CB 1.729 33.902 31.823 0.583 0.000 0.999 905 V HN 0.528 nan 8.190 nan 0.000 0.426 906 F N 2.103 122.245 119.950 0.320 0.000 2.293 906 F HA 0.385 4.912 4.527 -0.001 0.000 0.370 906 F C 0.709 176.578 175.800 0.115 0.000 1.090 906 F CA -0.302 57.836 58.000 0.230 0.000 1.133 906 F CB 1.014 40.210 39.000 0.326 0.000 1.360 906 F HN 0.527 nan 8.300 nan 0.000 0.489 907 E N 3.265 123.560 120.200 0.158 0.000 2.029 907 E HA 0.216 4.565 4.350 -0.000 0.000 0.276 907 E C -0.741 175.857 176.600 -0.003 0.000 1.163 907 E CA -0.348 56.041 56.400 -0.018 0.000 0.909 907 E CB 0.669 30.352 29.700 -0.030 0.000 1.046 907 E HN 0.308 nan 8.360 nan 0.000 0.406 908 V N 6.622 126.502 119.914 -0.057 0.000 2.405 908 V HA 0.094 4.214 4.120 -0.000 0.000 0.264 908 V C 0.203 176.201 176.094 -0.159 0.000 1.048 908 V CA 0.030 62.313 62.300 -0.027 0.000 0.966 908 V CB -0.426 31.378 31.823 -0.032 0.000 1.015 908 V HN 0.544 nan 8.190 nan 0.000 0.477 909 F N 5.775 125.664 119.950 -0.102 0.000 2.368 909 F HA 0.384 4.911 4.527 -0.000 0.000 0.308 909 F C -1.546 174.157 175.800 -0.163 0.000 1.198 909 F CA -2.078 55.822 58.000 -0.166 0.000 1.130 909 F CB 0.124 39.012 39.000 -0.187 0.000 1.300 909 F HN 0.310 nan 8.300 nan 0.000 0.537 910 P HA 0.008 nan 4.420 nan 0.000 0.264 910 P C -0.529 176.811 177.300 0.067 0.000 1.183 910 P CA 0.250 63.320 63.100 -0.049 0.000 0.763 910 P CB 0.270 31.876 31.700 -0.156 0.000 0.807 911 L N 1.751 122.996 121.223 0.036 0.000 2.476 911 L HA 0.431 4.771 4.340 -0.000 0.000 0.264 911 L C 1.250 178.141 176.870 0.035 0.000 1.224 911 L CA -0.015 54.837 54.840 0.020 0.000 0.821 911 L CB -0.073 41.982 42.059 -0.008 0.000 1.101 911 L HN 0.437 nan 8.230 nan 0.000 0.488 912 G N -0.209 108.588 108.800 -0.004 0.000 2.644 912 G HA2 0.362 4.322 3.960 -0.000 0.000 0.300 912 G HA3 0.362 4.322 3.960 -0.000 0.000 0.300 912 G C -0.273 174.607 174.900 -0.034 0.000 1.395 912 G CA -0.355 44.732 45.100 -0.022 0.000 0.964 912 G HN 0.700 nan 8.290 nan 0.000 0.511 913 N N 1.965 120.649 118.700 -0.027 0.000 2.727 913 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 913 N C 0.692 176.185 175.510 -0.029 0.000 1.040 913 N CA 0.946 53.980 53.050 -0.028 0.000 0.712 913 N CB -0.788 37.678 38.487 -0.035 0.000 0.912 913 N HN 0.771 nan 8.380 nan 0.000 0.545 914 N N -2.095 116.592 118.700 -0.022 0.000 2.696 914 N HA -0.286 4.454 4.740 -0.000 0.000 0.249 914 N C 0.016 175.503 175.510 -0.039 0.000 1.090 914 N CA 1.586 54.621 53.050 -0.025 0.000 0.716 914 N CB -0.492 37.981 38.487 -0.023 0.000 1.020 914 N HN 0.705 nan 8.380 nan 0.000 0.548 915 R N 0.061 120.532 120.500 -0.047 0.000 2.725 915 R HA 0.801 5.140 4.340 -0.000 0.000 0.277 915 R C -1.607 174.642 176.300 -0.086 0.000 0.987 915 R CA -0.204 55.854 56.100 -0.071 0.000 0.901 915 R CB 1.769 32.024 30.300 -0.076 0.000 1.207 915 R HN 0.112 nan 8.270 nan 0.000 0.463 916 A N 2.370 125.117 122.820 -0.121 0.000 2.604 916 A HA 0.635 4.955 4.320 -0.000 0.000 0.295 916 A C -1.918 175.528 177.584 -0.230 0.000 1.067 916 A CA -0.780 51.167 52.037 -0.150 0.000 0.683 916 A CB 1.719 20.671 19.000 -0.080 0.000 1.281 916 A HN 0.780 nan 8.150 nan 0.000 0.407 917 D N -0.857 119.343 120.400 -0.333 0.000 2.596 917 D HA 0.680 5.319 4.640 -0.000 0.000 0.234 917 D C -0.162 176.000 176.300 -0.229 0.000 1.181 917 D CA 0.021 53.786 54.000 -0.392 0.000 0.856 917 D CB 2.128 42.478 40.800 -0.750 0.000 1.498 917 D HN 0.917 nan 8.370 nan 0.000 0.446 918 G N -0.095 108.635 108.800 -0.116 0.000 2.690 918 G HA2 0.627 4.586 3.960 -0.000 0.000 0.293 918 G HA3 0.627 4.586 3.960 -0.000 0.000 0.293 918 G C -1.498 173.441 174.900 0.065 0.000 1.399 918 G CA -0.687 44.426 45.100 0.021 0.000 0.890 918 G HN 0.356 nan 8.290 nan 0.000 0.485 919 M N 0.446 120.115 119.600 0.114 0.000 2.518 919 M HA 0.614 5.094 4.480 -0.000 0.000 0.300 919 M C -1.573 174.813 176.300 0.144 0.000 1.175 919 M CA -0.623 54.759 55.300 0.136 0.000 0.890 919 M CB 2.413 35.107 32.600 0.156 0.000 1.710 919 M HN 0.666 nan 8.290 nan 0.000 0.453 920 C N 3.561 122.960 119.300 0.164 0.000 2.782 920 C HA 0.570 5.029 4.460 -0.000 0.000 0.328 920 C C -1.740 173.316 174.990 0.110 0.000 1.145 920 C CA -0.535 58.562 59.018 0.132 0.000 1.358 920 C CB 1.484 29.317 27.740 0.155 0.000 1.841 920 C HN 0.877 nan 8.230 nan 0.000 0.477 921 Y N 6.255 126.509 120.300 -0.077 0.000 2.334 921 Y HA 0.761 5.310 4.550 -0.000 0.000 0.336 921 Y C -1.080 174.768 175.900 -0.087 0.000 0.960 921 Y CA -0.579 57.400 58.100 -0.201 0.000 1.164 921 Y CB 0.671 38.857 38.460 -0.456 0.000 1.155 921 Y HN 0.688 nan 8.280 nan 0.000 0.478 922 L N 6.664 127.536 121.223 -0.585 0.000 2.334 922 L HA 0.640 4.979 4.340 -0.000 0.000 0.273 922 L C -0.973 175.406 176.870 -0.818 0.000 1.013 922 L CA -0.751 53.823 54.840 -0.444 0.000 0.816 922 L CB 1.803 43.830 42.059 -0.053 0.000 1.278 922 L HN 0.841 nan 8.230 nan 0.000 0.431 923 D N -0.577 119.310 120.400 -0.856 0.000 2.809 923 D HA 0.014 4.654 4.640 -0.000 0.000 0.336 923 D C -0.409 175.272 176.300 -1.032 0.000 1.367 923 D CA -0.434 52.936 54.000 -1.050 0.000 0.815 923 D CB 0.339 40.922 40.800 -0.362 0.000 1.381 923 D HN 0.476 nan 8.370 nan 0.000 0.471 924 D N -1.098 118.992 120.400 -0.517 0.000 2.363 924 D HA 0.206 4.846 4.640 -0.000 0.000 0.220 924 D C 1.664 177.952 176.300 -0.020 0.000 0.994 924 D CA 1.267 55.181 54.000 -0.144 0.000 0.890 924 D CB -0.324 40.549 40.800 0.121 0.000 0.906 924 D HN 1.114 nan 8.370 nan 0.000 0.530 925 G N -0.947 107.845 108.800 -0.014 0.000 2.175 925 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.244 925 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.244 925 G C 1.097 176.040 174.900 0.071 0.000 0.982 925 G CA 0.241 45.336 45.100 -0.008 0.000 0.641 925 G HN 1.385 nan 8.290 nan 0.000 0.527 926 G N -1.991 106.888 108.800 0.132 0.000 2.148 926 G HA2 -0.059 3.900 3.960 -0.000 0.000 0.203 926 G HA3 -0.059 3.900 3.960 -0.000 0.000 0.203 926 G C 1.248 176.333 174.900 0.308 0.000 0.993 926 G CA 0.974 46.166 45.100 0.154 0.000 0.661 926 G HN 1.427 nan 8.290 nan 0.000 0.518 927 V N 0.831 120.897 119.914 0.253 0.000 2.324 927 V HA 0.026 4.145 4.120 -0.000 0.000 0.250 927 V C 1.846 177.949 176.094 0.014 0.000 1.060 927 V CA 2.709 65.010 62.300 0.002 0.000 1.042 927 V CB -0.777 30.990 31.823 -0.094 0.000 0.650 927 V HN 1.271 nan 8.190 nan 0.000 0.450 928 T N -2.984 111.600 114.554 0.051 0.000 2.906 928 T HA 0.410 4.760 4.350 -0.000 0.000 0.295 928 T C 0.183 174.915 174.700 0.053 0.000 1.075 928 T CA 0.146 62.271 62.100 0.041 0.000 1.005 928 T CB 1.813 70.700 68.868 0.032 0.000 1.136 928 T HN 0.264 nan 8.240 nan 0.000 0.498 929 T N -0.660 113.918 114.554 0.039 0.000 3.341 929 T HA 0.269 4.619 4.350 -0.000 0.000 0.234 929 T C 0.654 175.384 174.700 0.049 0.000 0.890 929 T CA -0.445 61.677 62.100 0.037 0.000 0.952 929 T CB -1.320 67.559 68.868 0.018 0.000 1.146 929 T HN 0.692 nan 8.240 nan 0.000 0.591 930 N N 0.299 119.038 118.700 0.065 0.000 2.424 930 N HA 0.194 4.934 4.740 -0.000 0.000 0.178 930 N C 2.112 177.694 175.510 0.119 0.000 1.060 930 N CA 0.500 53.596 53.050 0.076 0.000 0.901 930 N CB 0.010 38.540 38.487 0.071 0.000 0.979 930 N HN 0.580 nan 8.380 nan 0.000 0.451 931 A N 2.105 125.012 122.820 0.146 0.000 1.840 931 A HA -0.155 4.165 4.320 -0.000 0.000 0.214 931 A C 2.058 179.779 177.584 0.228 0.000 1.198 931 A CA 1.215 53.410 52.037 0.263 0.000 0.608 931 A CB -0.407 18.707 19.000 0.189 0.000 0.839 931 A HN 0.376 nan 8.150 nan 0.000 0.443 932 E N 0.133 120.386 120.200 0.090 0.000 2.204 932 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 932 E C 0.636 177.270 176.600 0.056 0.000 0.989 932 E CA 1.471 57.895 56.400 0.041 0.000 0.824 932 E CB -0.436 29.254 29.700 -0.015 0.000 0.756 932 E HN 0.560 nan 8.360 nan 0.000 0.477 933 D N 1.345 121.781 120.400 0.061 0.000 2.202 933 D HA -0.030 4.609 4.640 -0.000 0.000 0.214 933 D C 0.849 177.180 176.300 0.051 0.000 0.967 933 D CA 1.054 55.079 54.000 0.042 0.000 0.871 933 D CB -0.317 40.500 40.800 0.029 0.000 1.020 933 D HN 0.312 nan 8.370 nan 0.000 0.474 934 N N -0.715 118.023 118.700 0.064 0.000 2.204 934 N HA 0.337 5.077 4.740 -0.000 0.000 0.219 934 N C 0.566 176.105 175.510 0.048 0.000 1.151 934 N CA 0.305 53.383 53.050 0.047 0.000 0.867 934 N CB 1.568 40.072 38.487 0.029 0.000 1.043 934 N HN 0.112 nan 8.380 nan 0.000 0.516 935 G N 1.278 110.149 108.800 0.118 0.000 2.198 935 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 935 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 935 G C -0.038 174.810 174.900 -0.086 0.000 1.042 935 G CA -0.107 45.047 45.100 0.089 0.000 0.791 935 G HN 0.086 nan 8.290 nan 0.000 0.502 936 K N 0.307 120.765 120.400 0.097 0.000 2.502 936 K HA 0.542 4.862 4.320 -0.000 0.000 0.244 936 K C 0.240 176.918 176.600 0.130 0.000 1.249 936 K CA -0.418 55.898 56.287 0.047 0.000 1.193 936 K CB -0.819 31.732 32.500 0.085 0.000 1.674 936 K HN 0.628 nan 8.250 nan 0.000 0.302 937 F N -3.036 116.874 119.950 -0.067 0.000 2.715 937 F HA 0.721 5.248 4.527 -0.001 0.000 0.318 937 F C -0.468 175.191 175.800 -0.235 0.000 1.141 937 F CA -1.140 56.735 58.000 -0.208 0.000 0.950 937 F CB 1.246 40.079 39.000 -0.278 0.000 1.374 937 F HN -0.200 nan 8.300 nan 0.000 0.477 938 S N 0.614 116.225 115.700 -0.149 0.000 2.536 938 S HA 0.765 5.235 4.470 -0.000 0.000 0.287 938 S C -1.492 173.074 174.600 -0.057 0.000 1.101 938 S CA -0.734 57.394 58.200 -0.119 0.000 0.950 938 S CB 2.062 65.162 63.200 -0.167 0.000 1.056 938 S HN 0.602 nan 8.310 nan 0.000 0.481 939 V N 2.995 122.947 119.914 0.062 0.000 2.409 939 V HA 0.455 4.575 4.120 -0.000 0.000 0.290 939 V C -0.565 175.607 176.094 0.130 0.000 1.017 939 V CA -0.619 61.727 62.300 0.076 0.000 0.841 939 V CB 1.552 33.449 31.823 0.123 0.000 1.003 939 V HN 0.684 nan 8.190 nan 0.000 0.426 940 V N 5.652 125.644 119.914 0.130 0.000 2.472 940 V HA 0.539 4.659 4.120 -0.000 0.000 0.290 940 V C 0.103 176.250 176.094 0.089 0.000 1.037 940 V CA -0.728 61.642 62.300 0.116 0.000 0.908 940 V CB 1.848 33.753 31.823 0.138 0.000 0.985 940 V HN 0.797 nan 8.190 nan 0.000 0.454 941 K N 2.789 123.201 120.400 0.020 0.000 2.281 941 K HA 0.836 5.155 4.320 -0.000 0.000 0.242 941 K C -1.399 175.068 176.600 -0.221 0.000 0.971 941 K CA -0.804 55.459 56.287 -0.040 0.000 0.834 941 K CB 2.799 35.291 32.500 -0.013 0.000 1.181 941 K HN 0.428 nan 8.250 nan 0.000 0.435 942 V N 0.150 119.881 119.914 -0.306 0.000 2.808 942 V HA 0.778 4.898 4.120 -0.000 0.000 0.308 942 V C -1.707 174.167 176.094 -0.367 0.000 1.099 942 V CA -0.407 61.542 62.300 -0.585 0.000 0.920 942 V CB 1.763 32.939 31.823 -1.077 0.000 1.014 942 V HN 0.956 nan 8.190 nan 0.000 0.425 943 A N 4.842 127.460 122.820 -0.337 0.000 2.380 943 A HA 1.070 5.389 4.320 -0.000 0.000 0.315 943 A C -0.325 177.147 177.584 -0.187 0.000 1.101 943 A CA -0.218 51.687 52.037 -0.221 0.000 0.771 943 A CB 1.959 20.862 19.000 -0.162 0.000 1.287 943 A HN 2.298 nan 8.150 nan 0.000 0.436 944 A N 0.673 123.408 122.820 -0.141 0.000 2.449 944 A HA 0.787 5.106 4.320 -0.000 0.000 0.302 944 A C -0.866 176.670 177.584 -0.080 0.000 1.048 944 A CA -0.346 51.632 52.037 -0.100 0.000 0.708 944 A CB 1.375 20.323 19.000 -0.086 0.000 1.274 944 A HN 0.829 nan 8.150 nan 0.000 0.410 945 E N 0.990 121.155 120.200 -0.060 0.000 2.361 945 E HA 0.324 4.674 4.350 -0.000 0.000 0.270 945 E C -1.118 175.460 176.600 -0.038 0.000 0.911 945 E CA -0.340 56.031 56.400 -0.049 0.000 0.818 945 E CB 1.347 31.018 29.700 -0.048 0.000 1.332 945 E HN 0.662 nan 8.360 nan 0.000 0.402 946 Q N 2.351 122.131 119.800 -0.034 0.000 2.304 946 Q HA 0.239 4.579 4.340 -0.000 0.000 0.260 946 Q C -1.269 174.716 176.000 -0.025 0.000 0.965 946 Q CA 0.267 56.054 55.803 -0.028 0.000 0.898 946 Q CB 0.904 29.628 28.738 -0.023 0.000 1.196 946 Q HN 0.347 nan 8.270 nan 0.000 0.402 947 D N 3.497 123.884 120.400 -0.023 0.000 2.330 947 D HA 0.424 5.064 4.640 -0.000 0.000 0.249 947 D C 0.348 176.637 176.300 -0.018 0.000 1.306 947 D CA 0.668 54.656 54.000 -0.020 0.000 0.956 947 D CB 0.007 40.794 40.800 -0.021 0.000 1.261 947 D HN 0.670 nan 8.370 nan 0.000 0.544 948 G N 2.901 111.691 108.800 -0.016 0.000 2.591 948 G HA2 -0.277 3.682 3.960 -0.000 0.000 0.298 948 G HA3 -0.277 3.682 3.960 -0.000 0.000 0.298 948 G C 1.007 175.898 174.900 -0.016 0.000 1.195 948 G CA 0.325 45.416 45.100 -0.014 0.000 0.989 948 G HN 1.004 nan 8.290 nan 0.000 0.551 949 G N -0.198 108.592 108.800 -0.017 0.000 3.042 949 G HA2 0.443 4.403 3.960 -0.000 0.000 0.212 949 G HA3 0.443 4.403 3.960 -0.000 0.000 0.212 949 G C 0.537 175.423 174.900 -0.023 0.000 1.166 949 G CA 1.482 46.570 45.100 -0.019 0.000 0.767 949 G HN 1.014 nan 8.290 nan 0.000 0.546 950 T N 0.528 115.068 114.554 -0.023 0.000 2.771 950 T HA 0.486 4.836 4.350 -0.000 0.000 0.281 950 T C -0.820 173.865 174.700 -0.024 0.000 0.982 950 T CA -0.401 61.685 62.100 -0.024 0.000 0.978 950 T CB 2.453 71.307 68.868 -0.023 0.000 0.930 950 T HN 0.214 nan 8.240 nan 0.000 0.447 951 E N 2.311 122.495 120.200 -0.025 0.000 2.191 951 E HA 0.396 4.746 4.350 -0.000 0.000 0.263 951 E C -1.118 175.470 176.600 -0.019 0.000 0.881 951 E CA -0.633 55.751 56.400 -0.026 0.000 0.757 951 E CB 1.036 30.717 29.700 -0.032 0.000 1.147 951 E HN 0.469 nan 8.360 nan 0.000 0.414 952 T N 5.367 119.908 114.554 -0.022 0.000 2.770 952 T HA 0.436 4.786 4.350 -0.000 0.000 0.283 952 T C -0.063 174.622 174.700 -0.025 0.000 0.988 952 T CA -0.414 61.678 62.100 -0.013 0.000 0.957 952 T CB 0.353 69.213 68.868 -0.014 0.000 0.930 952 T HN 0.385 nan 8.240 nan 0.000 0.443 953 I N 3.451 124.018 120.570 -0.005 0.000 2.330 953 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 953 I C 0.127 176.234 176.117 -0.018 0.000 1.001 953 I CA -0.535 60.745 61.300 -0.033 0.000 1.193 953 I CB 1.387 39.398 38.000 0.020 0.000 1.345 953 I HN 0.511 nan 8.210 nan 0.000 0.461 954 T N 6.223 120.703 114.554 -0.124 0.000 2.772 954 T HA 0.472 4.822 4.350 -0.000 0.000 0.288 954 T C -0.440 174.130 174.700 -0.216 0.000 0.994 954 T CA -0.361 61.692 62.100 -0.078 0.000 0.951 954 T CB 0.453 69.283 68.868 -0.064 0.000 0.933 954 T HN 0.095 nan 8.240 nan 0.000 0.447 955 F N 3.283 123.174 119.950 -0.100 0.000 2.411 955 F HA 0.465 4.991 4.527 -0.000 0.000 0.355 955 F C 1.390 177.116 175.800 -0.123 0.000 1.117 955 F CA -0.528 57.379 58.000 -0.155 0.000 1.139 955 F CB 1.122 39.998 39.000 -0.207 0.000 1.120 955 F HN 0.546 nan 8.300 nan 0.000 0.493 956 T N 0.283 114.835 114.554 -0.003 0.000 2.910 956 T HA 0.654 5.004 4.350 -0.000 0.000 0.287 956 T C -0.885 173.815 174.700 0.001 0.000 1.050 956 T CA -1.169 60.928 62.100 -0.005 0.000 1.011 956 T CB 2.066 70.926 68.868 -0.014 0.000 1.195 956 T HN 0.636 nan 8.240 nan 0.000 0.540 957 N N -1.112 117.593 118.700 0.009 0.000 2.235 957 N HA 0.460 5.200 4.740 -0.000 0.000 0.293 957 N C -0.754 174.796 175.510 0.066 0.000 1.083 957 N CA -0.862 52.215 53.050 0.045 0.000 0.801 957 N CB 1.928 40.441 38.487 0.045 0.000 1.559 957 N HN 0.347 nan 8.380 nan 0.000 0.472 958 D N 0.100 120.558 120.400 0.097 0.000 2.323 958 D HA 0.121 4.760 4.640 -0.000 0.000 0.209 958 D C 0.078 176.425 176.300 0.078 0.000 0.973 958 D CA 0.678 54.742 54.000 0.107 0.000 0.874 958 D CB -0.229 40.672 40.800 0.168 0.000 0.930 958 D HN 0.717 nan 8.370 nan 0.000 0.521 959 C N -2.438 116.904 119.300 0.069 0.000 3.224 959 C HA 0.506 4.966 4.460 -0.000 0.000 0.348 959 C C -1.379 173.675 174.990 0.106 0.000 1.242 959 C CA -1.395 57.637 59.018 0.023 0.000 1.180 959 C CB 0.205 27.875 27.740 -0.117 0.000 1.458 959 C HN 0.133 nan 8.230 nan 0.000 0.485 960 Y N 0.511 120.761 120.300 -0.084 0.000 2.513 960 Y HA 0.468 5.017 4.550 -0.001 0.000 0.341 960 Y C 0.913 176.777 175.900 -0.060 0.000 1.075 960 Y CA -0.077 57.990 58.100 -0.055 0.000 1.190 960 Y CB 0.456 38.900 38.460 -0.027 0.000 1.111 960 Y HN 0.895 nan 8.280 nan 0.000 0.644 961 E N 1.244 121.293 120.200 -0.251 0.000 2.216 961 E HA 0.014 4.364 4.350 -0.000 0.000 0.192 961 E C -0.682 175.787 176.600 -0.218 0.000 0.973 961 E CA 0.482 56.760 56.400 -0.203 0.000 0.851 961 E CB 0.269 29.844 29.700 -0.209 0.000 0.804 961 E HN 0.474 nan 8.360 nan 0.000 0.477 962 Y N 0.342 120.390 120.300 -0.419 0.000 2.313 962 Y HA 0.378 4.928 4.550 -0.000 0.000 0.332 962 Y C -0.876 174.685 175.900 -0.566 0.000 1.071 962 Y CA -1.028 56.857 58.100 -0.358 0.000 1.169 962 Y CB 0.897 39.211 38.460 -0.244 0.000 1.192 962 Y HN -0.334 nan 8.280 nan 0.000 0.487 963 V N 8.756 128.085 119.914 -0.975 0.000 2.320 963 V HA 0.083 4.203 4.120 -0.000 0.000 0.265 963 V C -0.181 175.619 176.094 -0.490 0.000 1.048 963 V CA -0.809 61.140 62.300 -0.584 0.000 0.865 963 V CB -0.524 31.120 31.823 -0.298 0.000 1.043 963 V HN 0.682 nan 8.190 nan 0.000 0.474 964 F N 3.823 123.682 119.950 -0.151 0.000 2.608 964 F HA 0.416 4.943 4.527 -0.000 0.000 0.380 964 F C 1.296 177.124 175.800 0.047 0.000 1.083 964 F CA 0.370 58.422 58.000 0.086 0.000 1.266 964 F CB 1.018 40.169 39.000 0.251 0.000 1.076 964 F HN 0.488 nan 8.300 nan 0.000 0.574 965 G N 3.471 111.955 108.800 -0.525 0.000 3.690 965 G HA2 0.483 4.443 3.960 -0.000 0.000 0.283 965 G HA3 0.483 4.443 3.960 -0.000 0.000 0.283 965 G C 0.057 174.790 174.900 -0.277 0.000 1.057 965 G CA 0.230 45.146 45.100 -0.308 0.000 0.821 965 G HN 1.075 nan 8.290 nan 0.000 0.526 966 G N -0.051 108.548 108.800 -0.335 0.000 2.684 966 G HA2 0.679 4.638 3.960 -0.000 0.000 0.290 966 G HA3 0.679 4.638 3.960 -0.000 0.000 0.290 966 G C -3.206 171.800 174.900 0.176 0.000 1.425 966 G CA -1.185 43.853 45.100 -0.104 0.000 0.822 966 G HN -0.050 nan 8.290 nan 0.000 0.482 967 P HA 0.377 nan 4.420 nan 0.000 0.270 967 P C -0.986 176.445 177.300 0.218 0.000 1.223 967 P CA -0.048 63.093 63.100 0.068 0.000 0.785 967 P CB 0.678 32.300 31.700 -0.130 0.000 0.923 968 F N -0.257 119.666 119.950 -0.045 0.000 2.620 968 F HA 0.744 5.271 4.527 -0.001 0.000 0.320 968 F C -1.203 174.516 175.800 -0.134 0.000 1.069 968 F CA -1.465 56.580 58.000 0.075 0.000 0.953 968 F CB 0.966 40.098 39.000 0.220 0.000 1.322 968 F HN 0.191 nan 8.300 nan 0.000 0.479 969 Y N -0.033 120.571 120.300 0.507 0.000 2.602 969 Y HA 0.729 5.278 4.550 -0.001 0.000 0.342 969 Y C -0.892 175.320 175.900 0.520 0.000 1.029 969 Y CA -1.509 56.840 58.100 0.416 0.000 1.080 969 Y CB 2.336 41.157 38.460 0.602 0.000 1.284 969 Y HN 0.512 nan 8.280 nan 0.000 0.485 970 V N 2.444 122.660 119.914 0.505 0.000 2.409 970 V HA 0.407 4.527 4.120 -0.000 0.000 0.290 970 V C -0.568 175.619 176.094 0.155 0.000 1.017 970 V CA -0.935 61.599 62.300 0.391 0.000 0.841 970 V CB 1.344 33.363 31.823 0.328 0.000 1.003 970 V HN 0.686 nan 8.190 nan 0.000 0.426 971 R N 4.497 124.973 120.500 -0.040 0.000 2.280 971 R HA 0.511 4.851 4.340 -0.000 0.000 0.326 971 R C -1.114 175.017 176.300 -0.283 0.000 1.080 971 R CA -0.376 55.464 56.100 -0.434 0.000 1.002 971 R CB 1.137 30.876 30.300 -0.935 0.000 1.136 971 R HN 0.537 nan 8.270 nan 0.000 0.509 972 V N 6.209 126.005 119.914 -0.197 0.000 2.405 972 V HA 0.202 4.322 4.120 -0.000 0.000 0.264 972 V C 0.879 176.852 176.094 -0.201 0.000 1.048 972 V CA -0.371 61.835 62.300 -0.157 0.000 0.966 972 V CB 0.552 32.321 31.823 -0.090 0.000 1.015 972 V HN 0.637 nan 8.190 nan 0.000 0.477 973 R N 3.310 123.665 120.500 -0.242 0.000 2.694 973 R HA 0.288 4.627 4.340 -0.000 0.000 0.268 973 R C 1.508 177.721 176.300 -0.144 0.000 1.061 973 R CA 0.698 56.666 56.100 -0.220 0.000 1.133 973 R CB 0.326 30.436 30.300 -0.317 0.000 1.020 973 R HN 1.089 nan 8.270 nan 0.000 0.475 974 G N 0.050 108.788 108.800 -0.104 0.000 2.196 974 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.268 974 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.268 974 G C 0.084 174.949 174.900 -0.058 0.000 0.975 974 G CA 0.645 45.706 45.100 -0.066 0.000 0.648 974 G HN 0.838 nan 8.290 nan 0.000 0.538 975 A N -0.207 122.568 122.820 -0.073 0.000 2.260 975 A HA 0.796 5.115 4.320 -0.000 0.000 0.314 975 A C 0.348 177.892 177.584 -0.066 0.000 1.257 975 A CA -0.229 51.767 52.037 -0.069 0.000 0.871 975 A CB 1.045 19.998 19.000 -0.078 0.000 1.166 975 A HN 0.238 nan 8.150 nan 0.000 0.522 976 Q N 0.400 120.165 119.800 -0.058 0.000 2.838 976 Q HA 0.389 4.729 4.340 -0.000 0.000 0.189 976 Q C 0.417 176.383 176.000 -0.057 0.000 1.029 976 Q CA -0.578 55.192 55.803 -0.054 0.000 0.919 976 Q CB 0.631 29.345 28.738 -0.040 0.000 2.121 976 Q HN 0.708 nan 8.270 nan 0.000 0.455 977 S N 2.151 117.833 115.700 -0.029 0.000 2.544 977 S HA 0.160 4.630 4.470 -0.000 0.000 0.290 977 S C -2.024 172.538 174.600 -0.062 0.000 1.276 977 S CA -0.823 57.372 58.200 -0.009 0.000 1.075 977 S CB 0.016 63.251 63.200 0.058 0.000 0.849 977 S HN 0.217 nan 8.310 nan 0.000 0.494 978 P HA 0.450 nan 4.420 nan 0.000 0.283 978 P C 0.083 177.327 177.300 -0.095 0.000 1.278 978 P CA -0.736 62.262 63.100 -0.170 0.000 0.834 978 P CB 1.243 32.745 31.700 -0.330 0.000 1.150 979 S N -0.600 115.063 115.700 -0.062 0.000 2.406 979 S HA 0.020 4.490 4.470 -0.000 0.000 0.224 979 S C 0.839 175.437 174.600 -0.003 0.000 1.030 979 S CA 0.458 58.650 58.200 -0.014 0.000 0.958 979 S CB -0.346 62.849 63.200 -0.009 0.000 0.811 979 S HN 0.717 nan 8.310 nan 0.000 0.489 980 N N -0.501 118.175 118.700 -0.040 0.000 2.745 980 N HA 0.357 5.097 4.740 -0.000 0.000 0.256 980 N C -2.299 173.179 175.510 -0.052 0.000 1.268 980 N CA -0.441 52.602 53.050 -0.013 0.000 0.887 980 N CB 1.153 39.663 38.487 0.038 0.000 1.575 980 N HN 0.012 nan 8.380 nan 0.000 0.496 981 I N 1.729 122.289 120.570 -0.017 0.000 2.498 981 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 981 I C -0.982 175.190 176.117 0.092 0.000 1.032 981 I CA -0.637 60.663 61.300 0.000 0.000 1.073 981 I CB 1.949 39.910 38.000 -0.066 0.000 1.251 981 I HN 0.558 nan 8.210 nan 0.000 0.426 982 H N 5.015 124.087 119.070 0.004 0.000 2.495 982 H HA 0.694 5.250 4.556 -0.000 0.000 0.348 982 H C -1.537 173.800 175.328 0.015 0.000 1.113 982 H CA -0.490 55.566 56.048 0.014 0.000 1.195 982 H CB 1.761 31.527 29.762 0.008 0.000 1.521 982 H HN 0.257 nan 8.280 nan 0.000 0.509 983 V N 4.134 123.874 119.914 -0.289 0.000 2.444 983 V HA 0.303 4.423 4.120 -0.000 0.000 0.294 983 V C -0.243 175.757 176.094 -0.156 0.000 1.022 983 V CA -0.760 61.462 62.300 -0.131 0.000 0.850 983 V CB 1.373 33.133 31.823 -0.104 0.000 0.992 983 V HN 0.802 nan 8.190 nan 0.000 0.426 984 S N 3.619 119.326 115.700 0.012 0.000 2.438 984 S HA 0.734 5.204 4.470 -0.000 0.000 0.316 984 S C -0.419 174.193 174.600 0.020 0.000 1.084 984 S CA -0.207 58.021 58.200 0.047 0.000 1.107 984 S CB 1.143 64.423 63.200 0.133 0.000 0.981 984 S HN 0.855 nan 8.310 nan 0.000 0.466 985 S N 2.690 118.389 115.700 -0.002 0.000 2.588 985 S HA 0.642 5.111 4.470 -0.000 0.000 0.275 985 S C 1.166 175.761 174.600 -0.007 0.000 1.130 985 S CA -0.098 58.097 58.200 -0.008 0.000 0.855 985 S CB 1.155 64.339 63.200 -0.027 0.000 1.116 985 S HN 0.849 nan 8.310 nan 0.000 0.472 986 G N 1.485 110.278 108.800 -0.011 0.000 2.432 986 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 986 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 986 G C 1.412 176.305 174.900 -0.011 0.000 1.135 986 G CA 1.012 46.107 45.100 -0.009 0.000 0.767 986 G HN 0.950 nan 8.290 nan 0.000 0.550 987 A N -0.363 122.446 122.820 -0.018 0.000 1.969 987 A HA 0.495 4.815 4.320 -0.000 0.000 0.218 987 A C 1.327 178.899 177.584 -0.020 0.000 1.169 987 A CA 1.551 53.577 52.037 -0.019 0.000 0.635 987 A CB -0.224 18.762 19.000 -0.022 0.000 0.810 987 A HN 1.515 nan 8.150 nan 0.000 0.445 988 G N -1.447 107.339 108.800 -0.024 0.000 2.169 988 G HA2 0.379 4.339 3.960 -0.000 0.000 0.286 988 G HA3 0.379 4.339 3.960 -0.000 0.000 0.286 988 G C -0.609 174.265 174.900 -0.042 0.000 1.742 988 G CA 0.169 45.253 45.100 -0.026 0.000 0.904 988 G HN 0.554 nan 8.290 nan 0.000 0.735 989 S N 0.459 116.141 115.700 -0.030 0.000 2.549 989 S HA 0.634 5.104 4.470 -0.000 0.000 0.279 989 S C 0.051 174.578 174.600 -0.121 0.000 1.321 989 S CA 0.328 58.490 58.200 -0.063 0.000 1.054 989 S CB 1.059 64.286 63.200 0.044 0.000 0.899 989 S HN 1.093 nan 8.310 nan 0.000 0.497 990 Q N 3.171 122.802 119.800 -0.281 0.000 2.479 990 Q HA 0.294 4.634 4.340 -0.000 0.000 0.276 990 Q C -2.152 173.657 176.000 -0.319 0.000 0.989 990 Q CA -0.832 54.843 55.803 -0.214 0.000 0.864 990 Q CB 1.167 29.829 28.738 -0.127 0.000 1.444 990 Q HN 0.503 nan 8.270 nan 0.000 0.388 991 D N 2.801 123.120 120.400 -0.134 0.000 2.255 991 D HA 0.395 5.035 4.640 -0.000 0.000 0.249 991 D C -0.085 176.220 176.300 0.009 0.000 1.078 991 D CA 0.042 54.019 54.000 -0.039 0.000 0.896 991 D CB 1.091 41.928 40.800 0.062 0.000 1.194 991 D HN 0.490 nan 8.370 nan 0.000 0.429 992 M N 1.319 120.963 119.600 0.074 0.000 2.291 992 M HA 0.277 4.757 4.480 -0.000 0.000 0.324 992 M C 0.423 176.855 176.300 0.219 0.000 1.148 992 M CA -0.286 55.108 55.300 0.156 0.000 1.104 992 M CB 1.024 33.778 32.600 0.257 0.000 1.483 992 M HN 0.208 nan 8.290 nan 0.000 0.467 993 K N -0.009 120.472 120.400 0.135 0.000 2.443 993 K HA 0.632 4.952 4.320 -0.000 0.000 0.251 993 K C -0.973 175.370 176.600 -0.428 0.000 0.972 993 K CA -1.026 55.260 56.287 -0.001 0.000 0.833 993 K CB 1.879 34.361 32.500 -0.030 0.000 1.317 993 K HN 0.444 nan 8.250 nan 0.000 0.441 994 V N 1.095 120.585 119.914 -0.707 0.000 3.032 994 V HA 0.040 4.160 4.120 -0.000 0.000 0.307 994 V C -0.176 175.644 176.094 -0.456 0.000 1.097 994 V CA 0.401 62.094 62.300 -1.012 0.000 1.191 994 V CB 1.396 32.903 31.823 -0.526 0.000 0.964 994 V HN 0.917 nan 8.190 nan 0.000 0.494 995 S N 2.745 118.248 115.700 -0.328 0.000 2.608 995 S HA 0.385 4.854 4.470 -0.000 0.000 0.291 995 S C 0.726 175.266 174.600 -0.100 0.000 1.146 995 S CA -0.080 58.031 58.200 -0.149 0.000 1.043 995 S CB 1.543 64.700 63.200 -0.071 0.000 1.037 995 S HN 1.157 nan 8.310 nan 0.000 0.520 996 S N 2.339 117.983 115.700 -0.093 0.000 2.685 996 S HA 0.515 4.985 4.470 -0.000 0.000 0.240 996 S C 0.346 174.881 174.600 -0.107 0.000 0.967 996 S CA -0.389 57.763 58.200 -0.080 0.000 1.009 996 S CB -0.317 62.842 63.200 -0.068 0.000 0.776 996 S HN 0.871 nan 8.310 nan 0.000 0.467 997 A N 1.486 124.213 122.820 -0.155 0.000 2.306 997 A HA 0.692 5.012 4.320 -0.000 0.000 0.330 997 A C 0.892 178.296 177.584 -0.299 0.000 1.146 997 A CA -0.306 51.569 52.037 -0.271 0.000 0.827 997 A CB 0.932 19.692 19.000 -0.399 0.000 1.178 997 A HN 0.508 nan 8.150 nan 0.000 0.490 998 T N -2.301 112.058 114.554 -0.325 0.000 3.170 998 T HA 0.456 4.806 4.350 -0.000 0.000 0.288 998 T C 0.170 174.732 174.700 -0.231 0.000 0.992 998 T CA 0.503 62.515 62.100 -0.147 0.000 0.909 998 T CB -0.856 67.977 68.868 -0.059 0.000 1.133 998 T HN 1.617 nan 8.240 nan 0.000 0.530 999 S N -0.047 115.247 115.700 -0.677 0.000 2.596 999 S HA 0.515 4.984 4.470 -0.000 0.000 0.270 999 S C 0.665 174.388 174.600 -1.463 0.000 1.155 999 S CA -0.963 56.790 58.200 -0.746 0.000 0.827 999 S CB 2.153 65.097 63.200 -0.426 0.000 1.130 999 S HN 0.183 nan 8.310 nan 0.000 0.467 1000 R N 0.656 120.312 120.500 -1.406 0.000 2.081 1000 R HA -0.039 4.301 4.340 -0.000 0.000 0.235 1000 R C 2.079 177.532 176.300 -1.412 0.000 1.131 1000 R CA 1.779 56.875 56.100 -1.673 0.000 0.960 1000 R CB -1.073 28.451 30.300 -1.292 0.000 0.856 1000 R HN 0.820 nan 8.270 nan 0.000 0.436 1001 A N 1.018 123.332 122.820 -0.843 0.000 1.908 1001 A HA -0.101 4.218 4.320 -0.000 0.000 0.218 1001 A C 2.398 179.714 177.584 -0.446 0.000 1.181 1001 A CA 1.739 53.473 52.037 -0.504 0.000 0.627 1001 A CB -0.725 18.104 19.000 -0.285 0.000 0.818 1001 A HN 0.571 nan 8.150 nan 0.000 0.445 1002 A N -0.749 121.759 122.820 -0.520 0.000 1.969 1002 A HA 0.033 4.352 4.320 -0.000 0.000 0.218 1002 A C 2.086 179.420 177.584 -0.418 0.000 1.169 1002 A CA 1.636 53.429 52.037 -0.406 0.000 0.635 1002 A CB -0.496 18.258 19.000 -0.409 0.000 0.810 1002 A HN 0.656 nan 8.150 nan 0.000 0.445 1003 L N -1.293 119.527 121.223 -0.671 0.000 2.056 1003 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 1003 L C 2.065 178.839 176.870 -0.160 0.000 1.078 1003 L CA 1.809 56.348 54.840 -0.502 0.000 0.749 1003 L CB -0.924 40.677 42.059 -0.763 0.000 0.901 1003 L HN 0.320 nan 8.230 nan 0.000 0.433 1004 F N 0.257 120.057 119.950 -0.251 0.000 2.102 1004 F HA -0.160 4.367 4.527 -0.001 0.000 0.298 1004 F C 2.562 178.355 175.800 -0.011 0.000 1.105 1004 F CA 1.333 59.280 58.000 -0.090 0.000 1.239 1004 F CB -1.319 37.575 39.000 -0.177 0.000 0.991 1004 F HN 0.252 nan 8.300 nan 0.000 0.474 1005 N N -0.317 118.443 118.700 0.100 0.000 2.251 1005 N HA -0.094 4.645 4.740 -0.000 0.000 0.181 1005 N C 0.975 176.489 175.510 0.007 0.000 1.019 1005 N CA 1.377 54.452 53.050 0.042 0.000 0.862 1005 N CB -0.087 38.396 38.487 -0.006 0.000 0.992 1005 N HN 0.263 nan 8.380 nan 0.000 0.429 1006 D N -0.040 120.338 120.400 -0.037 0.000 2.423 1006 D HA 0.085 4.725 4.640 -0.000 0.000 0.212 1006 D C 1.031 177.307 176.300 -0.040 0.000 1.060 1006 D CA 0.079 54.050 54.000 -0.048 0.000 0.872 1006 D CB 0.101 40.851 40.800 -0.084 0.000 1.012 1006 D HN 0.039 nan 8.370 nan 0.000 0.503 1007 G N 0.896 109.676 108.800 -0.033 0.000 2.491 1007 G HA2 0.150 4.109 3.960 -0.000 0.000 0.238 1007 G HA3 0.150 4.109 3.960 -0.000 0.000 0.238 1007 G C -0.138 174.771 174.900 0.015 0.000 1.277 1007 G CA -0.140 44.952 45.100 -0.014 0.000 0.851 1007 G HN -0.060 nan 8.290 nan 0.000 0.573 1008 E N 0.514 120.712 120.200 -0.003 0.000 2.231 1008 E HA 0.128 4.478 4.350 -0.000 0.000 0.277 1008 E C -0.201 176.392 176.600 -0.012 0.000 0.999 1008 E CA -0.746 55.648 56.400 -0.010 0.000 0.827 1008 E CB 0.847 30.533 29.700 -0.024 0.000 1.101 1008 E HN 0.432 nan 8.360 nan 0.000 0.393 1009 N N 1.721 120.401 118.700 -0.034 0.000 2.411 1009 N HA 0.078 4.818 4.740 -0.000 0.000 0.265 1009 N C 0.658 176.137 175.510 -0.052 0.000 1.266 1009 N CA 1.049 54.057 53.050 -0.070 0.000 0.889 1009 N CB 0.977 39.411 38.487 -0.089 0.000 1.069 1009 N HN 0.838 nan 8.380 nan 0.000 0.476 1010 G N 1.519 110.295 108.800 -0.040 0.000 2.336 1010 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.194 1010 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.194 1010 G C -0.523 174.399 174.900 0.037 0.000 0.999 1010 G CA -0.519 44.575 45.100 -0.010 0.000 0.669 1010 G HN 0.522 nan 8.290 nan 0.000 0.482 1011 D N 1.250 121.667 120.400 0.029 0.000 2.308 1011 D HA 0.567 5.207 4.640 -0.000 0.000 0.251 1011 D C 0.469 176.861 176.300 0.153 0.000 1.127 1011 D CA -0.000 54.008 54.000 0.014 0.000 0.876 1011 D CB 0.600 41.403 40.800 0.004 0.000 1.176 1011 D HN 0.430 nan 8.370 nan 0.000 0.446 1012 F N 0.091 120.124 119.950 0.140 0.000 2.483 1012 F HA 0.781 5.307 4.527 -0.000 0.000 0.329 1012 F C -0.819 175.154 175.800 0.289 0.000 1.064 1012 F CA -1.425 56.701 58.000 0.209 0.000 0.986 1012 F CB 1.091 40.181 39.000 0.151 0.000 1.218 1012 F HN 0.275 nan 8.300 nan 0.000 0.484 1013 W N 3.411 124.917 121.300 0.343 0.000 2.998 1013 W HA 0.686 5.346 4.660 -0.000 0.000 0.335 1013 W C -2.254 174.434 176.519 0.282 0.000 1.110 1013 W CA -1.577 55.874 57.345 0.177 0.000 1.230 1013 W CB 1.660 31.135 29.460 0.025 0.000 1.405 1013 W HN 0.564 nan 8.180 nan 0.000 0.493 1014 V N 5.536 125.210 119.914 -0.401 0.000 2.509 1014 V HA 0.205 4.325 4.120 -0.000 0.000 0.284 1014 V C -0.494 174.901 176.094 -1.164 0.000 1.047 1014 V CA -0.304 61.698 62.300 -0.497 0.000 0.952 1014 V CB 1.452 33.183 31.823 -0.153 0.000 0.988 1014 V HN 0.458 nan 8.190 nan 0.000 0.469 1015 D N 3.214 123.115 120.400 -0.831 0.000 2.458 1015 D HA 0.230 4.870 4.640 -0.000 0.000 0.258 1015 D C 1.106 177.229 176.300 -0.295 0.000 1.134 1015 D CA -0.307 53.211 54.000 -0.804 0.000 0.915 1015 D CB 1.142 41.587 40.800 -0.592 0.000 1.028 1015 D HN 0.525 nan 8.370 nan 0.000 0.508 1016 Q N 1.067 120.741 119.800 -0.210 0.000 2.234 1016 Q HA -0.165 4.175 4.340 -0.000 0.000 0.206 1016 Q C 1.219 177.191 176.000 -0.047 0.000 0.980 1016 Q CA 0.937 56.686 55.803 -0.091 0.000 0.869 1016 Q CB 0.463 29.170 28.738 -0.052 0.000 0.912 1016 Q HN 0.631 nan 8.270 nan 0.000 0.436 1017 E N 0.183 120.359 120.200 -0.040 0.000 2.076 1017 E HA -0.093 4.257 4.350 -0.000 0.000 0.190 1017 E C 1.692 178.308 176.600 0.027 0.000 0.979 1017 E CA 1.553 57.955 56.400 0.004 0.000 0.807 1017 E CB 0.298 30.013 29.700 0.025 0.000 0.761 1017 E HN 0.411 nan 8.360 nan 0.000 0.454 1018 T N -1.947 112.635 114.554 0.046 0.000 3.086 1018 T HA 0.016 4.365 4.350 -0.000 0.000 0.250 1018 T C 0.207 174.945 174.700 0.064 0.000 1.074 1018 T CA 0.460 62.616 62.100 0.093 0.000 0.988 1018 T CB 0.122 69.100 68.868 0.184 0.000 0.988 1018 T HN 0.031 nan 8.240 nan 0.000 0.530 1019 D N 0.691 121.100 120.400 0.015 0.000 2.812 1019 D HA -0.152 4.488 4.640 -0.000 0.000 0.237 1019 D C -1.040 175.242 176.300 -0.030 0.000 1.162 1019 D CA 0.531 54.523 54.000 -0.012 0.000 0.740 1019 D CB -1.433 39.370 40.800 0.006 0.000 1.000 1019 D HN 0.538 nan 8.370 nan 0.000 0.416 1020 S N 0.355 116.032 115.700 -0.039 0.000 2.546 1020 S HA 0.567 5.037 4.470 -0.000 0.000 0.272 1020 S C -0.866 173.704 174.600 -0.049 0.000 1.140 1020 S CA -0.894 57.262 58.200 -0.073 0.000 0.920 1020 S CB 1.838 64.991 63.200 -0.079 0.000 1.083 1020 S HN 0.364 nan 8.310 nan 0.000 0.476 1021 L N 2.803 123.980 121.223 -0.077 0.000 2.276 1021 L HA 0.650 4.990 4.340 -0.000 0.000 0.286 1021 L C -1.738 175.178 176.870 0.076 0.000 1.061 1021 L CA 0.006 54.857 54.840 0.018 0.000 0.807 1021 L CB 0.235 42.279 42.059 -0.024 0.000 1.177 1021 L HN 0.714 nan 8.230 nan 0.000 0.429 1022 W N 6.192 127.568 121.300 0.127 0.000 2.376 1022 W HA 0.547 5.207 4.660 -0.000 0.000 0.312 1022 W C -1.045 175.685 176.519 0.353 0.000 1.060 1022 W CA -0.420 57.099 57.345 0.290 0.000 1.221 1022 W CB 1.154 30.874 29.460 0.433 0.000 1.281 1022 W HN 0.217 nan 8.180 nan 0.000 0.456 1023 L N 3.758 125.275 121.223 0.491 0.000 2.295 1023 L HA 0.398 4.738 4.340 -0.000 0.000 0.285 1023 L C 0.122 177.211 176.870 0.365 0.000 1.035 1023 L CA -0.821 54.246 54.840 0.380 0.000 0.806 1023 L CB 1.230 43.416 42.059 0.212 0.000 1.214 1023 L HN 0.264 nan 8.230 nan 0.000 0.426 1024 K N 4.023 124.569 120.400 0.243 0.000 2.235 1024 K HA 0.781 5.101 4.320 -0.000 0.000 0.266 1024 K C -1.412 175.045 176.600 -0.239 0.000 0.980 1024 K CA -0.390 55.868 56.287 -0.047 0.000 0.849 1024 K CB 0.772 33.343 32.500 0.119 0.000 1.098 1024 K HN 0.516 nan 8.250 nan 0.000 0.445 1025 L N 4.821 125.721 121.223 -0.537 0.000 2.359 1025 L HA 0.588 4.927 4.340 -0.000 0.000 0.256 1025 L C -2.430 174.127 176.870 -0.520 0.000 1.026 1025 L CA -2.608 51.901 54.840 -0.551 0.000 0.828 1025 L CB 2.452 44.026 42.059 -0.807 0.000 1.406 1025 L HN 0.586 nan 8.230 nan 0.000 0.413 1026 P HA 0.154 nan 4.420 nan 0.000 0.278 1026 P C -0.101 177.199 177.300 0.000 0.000 1.238 1026 P CA -0.567 62.452 63.100 -0.134 0.000 0.794 1026 P CB 0.508 32.158 31.700 -0.082 0.000 0.955 1027 N N 2.185 120.951 118.700 0.111 0.000 2.205 1027 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 1027 N C 1.146 176.780 175.510 0.207 0.000 1.015 1027 N CA 1.982 55.199 53.050 0.279 0.000 0.862 1027 N CB -1.234 37.382 38.487 0.214 0.000 0.986 1027 N HN 0.257 nan 8.380 nan 0.000 0.429 1028 V N -0.068 119.904 119.914 0.096 0.000 2.867 1028 V HA -0.064 4.055 4.120 -0.000 0.000 0.260 1028 V C 2.339 178.435 176.094 0.004 0.000 1.099 1028 V CA 1.426 63.754 62.300 0.047 0.000 1.122 1028 V CB -1.157 30.675 31.823 0.016 0.000 0.708 1028 V HN 0.320 nan 8.190 nan 0.000 0.490 1029 V N -1.940 117.994 119.914 0.032 0.000 3.444 1029 V HA 0.326 4.445 4.120 -0.000 0.000 0.308 1029 V C 1.717 177.794 176.094 -0.028 0.000 1.371 1029 V CA 0.673 62.967 62.300 -0.010 0.000 1.141 1029 V CB 0.348 32.154 31.823 -0.028 0.000 1.037 1029 V HN 0.402 nan 8.190 nan 0.000 0.433 1030 L N 1.451 122.633 121.223 -0.069 0.000 2.179 1030 L HA 0.292 4.632 4.340 -0.000 0.000 0.208 1030 L C -0.451 176.134 176.870 -0.475 0.000 1.096 1030 L CA 1.976 56.549 54.840 -0.445 0.000 0.779 1030 L CB -1.124 40.627 42.059 -0.513 0.000 0.922 1030 L HN 0.306 nan 8.230 nan 0.000 0.443 1031 P HA 0.029 nan 4.420 nan 0.000 0.229 1031 P C -1.118 176.055 177.300 -0.213 0.000 1.160 1031 P CA 0.859 63.624 63.100 -0.558 0.000 0.777 1031 P CB -0.085 31.140 31.700 -0.792 0.000 0.814 1032 D N -1.083 119.235 120.400 -0.136 0.000 2.419 1032 D HA 0.489 5.129 4.640 -0.000 0.000 0.219 1032 D C -1.350 174.954 176.300 0.008 0.000 1.349 1032 D CA -0.741 53.236 54.000 -0.037 0.000 0.964 1032 D CB 0.828 41.597 40.800 -0.052 0.000 1.463 1032 D HN -0.029 nan 8.370 nan 0.000 0.573 1033 A N 1.211 124.082 122.820 0.084 0.000 2.589 1033 A HA 0.624 4.944 4.320 -0.000 0.000 0.296 1033 A C -1.642 176.020 177.584 0.130 0.000 1.062 1033 A CA -0.763 51.332 52.037 0.096 0.000 0.686 1033 A CB 2.023 21.072 19.000 0.083 0.000 1.282 1033 A HN 0.374 nan 8.150 nan 0.000 0.404 1034 V N 3.093 123.065 119.914 0.096 0.000 2.326 1034 V HA 0.360 4.480 4.120 -0.000 0.000 0.281 1034 V C -0.391 175.767 176.094 0.107 0.000 1.015 1034 V CA -0.096 62.260 62.300 0.095 0.000 0.823 1034 V CB 0.948 32.815 31.823 0.073 0.000 1.009 1034 V HN 0.675 nan 8.190 nan 0.000 0.436 1035 I N 4.764 125.401 120.570 0.111 0.000 2.312 1035 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 1035 I C 0.513 176.672 176.117 0.071 0.000 1.031 1035 I CA 0.022 61.380 61.300 0.096 0.000 1.293 1035 I CB 1.568 39.637 38.000 0.116 0.000 1.403 1035 I HN 0.657 nan 8.210 nan 0.000 0.484 1036 T N 5.631 120.234 114.554 0.081 0.000 2.842 1036 T HA 0.605 4.955 4.350 -0.000 0.000 0.308 1036 T C -0.576 174.139 174.700 0.025 0.000 1.041 1036 T CA -0.542 61.586 62.100 0.046 0.000 0.964 1036 T CB 0.386 69.275 68.868 0.036 0.000 0.972 1036 T HN 0.306 nan 8.240 nan 0.000 0.460 1037 I N 3.889 124.454 120.570 -0.007 0.000 2.331 1037 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 1037 I C 0.796 176.887 176.117 -0.042 0.000 0.998 1037 I CA -0.166 61.109 61.300 -0.042 0.000 1.267 1037 I CB 1.794 39.758 38.000 -0.061 0.000 1.386 1037 I HN 0.672 nan 8.210 nan 0.000 0.476 1038 T N 0.000 114.524 114.554 -0.050 0.000 3.816 1038 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 1038 T CA 0.000 62.078 62.100 -0.037 0.000 1.349 1038 T CB 0.000 68.854 68.868 -0.023 0.000 0.612 1038 T HN 0.000 nan 8.240 nan 0.000 0.658