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 1d1b_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDGQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RNXXXXXGVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNNAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYXXXXXXX DATA SEQUENCE XXIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA XXXXXFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYADF DATA SEQUENCE VKRYYLXXXN VPRDAEDSQK ATDAVLKHLN IDPEQYRFGI TKIFFRAGQL DATA SEQUENCE ARIEEARE 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.480 175.510 -0.051 0.000 1.280 2 N CA 0.000 53.061 53.050 0.018 0.000 0.885 2 N CB 0.000 38.572 38.487 0.142 0.000 1.341 3 P HA -0.188 nan 4.420 nan 0.000 0.222 3 P C 1.514 178.785 177.300 -0.049 0.000 1.155 3 P CA 1.313 64.390 63.100 -0.039 0.000 0.890 3 P CB 0.340 31.986 31.700 -0.089 0.000 0.790 4 I N -2.351 117.981 120.570 -0.396 0.000 2.756 4 I HA -0.213 3.958 4.170 0.002 0.000 0.262 4 I C 1.770 177.765 176.117 -0.203 0.000 1.225 4 I CA 1.435 62.472 61.300 -0.439 0.000 1.472 4 I CB -0.614 36.951 38.000 -0.724 0.000 1.094 4 I HN 0.158 nan 8.210 nan 0.000 0.454 5 H N -1.767 117.366 119.070 0.105 0.000 2.729 5 H HA 0.086 4.644 4.556 0.002 0.000 0.263 5 H C 0.552 175.859 175.328 -0.034 0.000 0.961 5 H CA -0.247 55.831 56.048 0.050 0.000 1.217 5 H CB 0.205 29.971 29.762 0.008 0.000 1.447 5 H HN 0.028 nan 8.280 nan 0.000 0.496 6 D N 1.733 122.161 120.400 0.047 0.000 2.435 6 D HA -0.001 4.640 4.640 0.002 0.000 0.230 6 D C 0.823 177.004 176.300 -0.199 0.000 1.215 6 D CA -0.217 53.766 54.000 -0.028 0.000 0.947 6 D CB 0.326 41.140 40.800 0.023 0.000 1.048 6 D HN 0.043 nan 8.370 nan 0.000 0.512 7 R N 1.775 122.016 120.500 -0.431 0.000 2.417 7 R HA -0.093 4.249 4.340 0.002 0.000 0.220 7 R C 1.535 177.696 176.300 -0.232 0.000 1.128 7 R CA 1.066 56.792 56.100 -0.624 0.000 1.048 7 R CB -1.151 28.928 30.300 -0.369 0.000 0.835 7 R HN 0.535 nan 8.270 nan 0.000 0.483 8 T N -3.188 111.301 114.554 -0.108 0.000 3.022 8 T HA 0.055 4.407 4.350 0.002 0.000 0.250 8 T C 0.918 175.623 174.700 0.009 0.000 1.060 8 T CA 0.056 62.132 62.100 -0.040 0.000 1.013 8 T CB 0.116 68.965 68.868 -0.032 0.000 0.982 8 T HN 0.165 nan 8.240 nan 0.000 0.508 9 S N 1.498 117.240 115.700 0.070 0.000 2.584 9 S HA 0.141 4.612 4.470 0.002 0.000 0.270 9 S C 0.541 175.206 174.600 0.108 0.000 1.346 9 S CA -0.349 57.922 58.200 0.117 0.000 1.018 9 S CB 0.553 63.864 63.200 0.186 0.000 0.899 9 S HN 0.129 nan 8.310 nan 0.000 0.542 10 D N 0.091 120.552 120.400 0.101 0.000 2.221 10 D HA -0.084 4.557 4.640 0.002 0.000 0.204 10 D C 1.315 177.709 176.300 0.156 0.000 0.982 10 D CA 1.298 55.350 54.000 0.087 0.000 0.857 10 D CB -0.430 40.537 40.800 0.278 0.000 0.934 10 D HN 0.769 nan 8.370 nan 0.000 0.475 11 Y N 0.767 121.117 120.300 0.084 0.000 2.114 11 Y HA -0.256 4.296 4.550 0.002 0.000 0.284 11 Y C 2.434 178.298 175.900 -0.059 0.000 1.143 11 Y CA 1.804 59.920 58.100 0.026 0.000 1.135 11 Y CB -0.259 38.169 38.460 -0.053 0.000 0.980 11 Y HN 0.116 nan 8.280 nan 0.000 0.499 12 H N -0.060 119.002 119.070 -0.014 0.000 2.321 12 H HA -0.157 4.400 4.556 0.002 0.000 0.300 12 H C 2.196 177.416 175.328 -0.180 0.000 1.087 12 H CA 1.980 57.955 56.048 -0.123 0.000 1.319 12 H CB -0.091 29.663 29.762 -0.013 0.000 1.379 12 H HN 0.213 nan 8.280 nan 0.000 0.501 13 K N 0.566 120.906 120.400 -0.100 0.000 2.020 13 K HA -0.190 4.131 4.320 0.002 0.000 0.212 13 K C 1.811 178.241 176.600 -0.283 0.000 1.050 13 K CA 1.656 57.765 56.287 -0.297 0.000 0.929 13 K CB -0.348 31.764 32.500 -0.647 0.000 0.714 13 K HN 0.199 nan 8.250 nan 0.000 0.443 14 Y N -0.762 119.484 120.300 -0.090 0.000 2.517 14 Y HA 0.204 4.755 4.550 0.002 0.000 0.281 14 Y C 1.271 177.073 175.900 -0.163 0.000 1.125 14 Y CA 0.476 58.507 58.100 -0.115 0.000 1.283 14 Y CB 0.359 38.771 38.460 -0.081 0.000 1.042 14 Y HN -0.026 nan 8.280 nan 0.000 0.547 15 L N -1.216 119.926 121.223 -0.135 0.000 3.086 15 L HA 0.239 4.581 4.340 0.002 0.000 0.274 15 L C 0.010 176.705 176.870 -0.292 0.000 1.184 15 L CA 0.032 54.746 54.840 -0.211 0.000 1.002 15 L CB 0.438 42.350 42.059 -0.245 0.000 1.383 15 L HN -0.260 nan 8.230 nan 0.000 0.582 16 K N 0.540 120.754 120.400 -0.310 0.000 2.395 16 K HA 0.506 4.827 4.320 0.002 0.000 0.247 16 K C -0.673 175.861 176.600 -0.110 0.000 0.973 16 K CA -0.844 55.305 56.287 -0.229 0.000 0.828 16 K CB 3.122 35.442 32.500 -0.300 0.000 1.272 16 K HN -0.362 nan 8.250 nan 0.000 0.439 17 V N 2.309 122.186 119.914 -0.062 0.000 2.479 17 V HA 0.014 4.136 4.120 0.002 0.000 0.281 17 V C 0.801 176.891 176.094 -0.006 0.000 1.031 17 V CA -0.156 62.124 62.300 -0.034 0.000 1.038 17 V CB 0.323 32.135 31.823 -0.019 0.000 0.981 17 V HN 0.575 nan 8.190 nan 0.000 0.478 18 K N 5.004 125.399 120.400 -0.008 0.000 2.484 18 K HA 0.042 4.364 4.320 0.002 0.000 0.280 18 K C -0.037 176.576 176.600 0.020 0.000 1.013 18 K CA 0.258 56.552 56.287 0.012 0.000 1.029 18 K CB 0.292 32.785 32.500 -0.011 0.000 0.902 18 K HN 0.704 nan 8.250 nan 0.000 0.481 19 Q N 2.084 121.908 119.800 0.040 0.000 2.282 19 Q HA 0.333 4.674 4.340 0.002 0.000 0.260 19 Q C 0.308 176.309 176.000 0.002 0.000 0.964 19 Q CA -0.907 54.911 55.803 0.025 0.000 0.880 19 Q CB 2.006 30.773 28.738 0.048 0.000 1.286 19 Q HN 0.800 nan 8.270 nan 0.000 0.445 20 G N 0.777 109.576 108.800 -0.001 0.000 2.508 20 G HA2 0.032 3.994 3.960 0.002 0.000 0.278 20 G HA3 0.032 3.994 3.960 0.002 0.000 0.278 20 G C -0.175 174.721 174.900 -0.007 0.000 1.389 20 G CA -0.329 44.767 45.100 -0.007 0.000 1.050 20 G HN 0.595 nan 8.290 nan 0.000 0.522 21 D N -1.263 119.133 120.400 -0.007 0.000 2.327 21 D HA 0.136 4.777 4.640 0.002 0.000 0.205 21 D C 0.747 177.046 176.300 -0.001 0.000 0.989 21 D CA 0.567 54.563 54.000 -0.006 0.000 0.873 21 D CB 0.571 41.367 40.800 -0.008 0.000 0.955 21 D HN 0.139 nan 8.370 nan 0.000 0.515 22 S N 0.340 116.040 115.700 -0.000 0.000 2.454 22 S HA 0.117 4.588 4.470 0.002 0.000 0.306 22 S C 0.142 174.744 174.600 0.003 0.000 1.100 22 S CA -0.706 57.496 58.200 0.004 0.000 1.087 22 S CB 1.584 64.787 63.200 0.005 0.000 1.019 22 S HN 0.016 nan 8.310 nan 0.000 0.480 23 D N 4.130 124.535 120.400 0.009 0.000 2.369 23 D HA 0.097 4.739 4.640 0.002 0.000 0.211 23 D C 0.075 176.385 176.300 0.018 0.000 1.077 23 D CA -0.085 53.921 54.000 0.010 0.000 0.842 23 D CB 0.245 41.054 40.800 0.016 0.000 0.947 23 D HN 0.484 nan 8.370 nan 0.000 0.509 24 L N 1.290 122.528 121.223 0.025 0.000 2.485 24 L HA 0.035 4.377 4.340 0.002 0.000 0.275 24 L C 1.589 178.499 176.870 0.067 0.000 1.207 24 L CA -0.382 54.488 54.840 0.051 0.000 0.855 24 L CB 0.441 42.530 42.059 0.049 0.000 1.114 24 L HN -0.015 nan 8.230 nan 0.000 0.485 25 F N 2.324 122.224 119.950 -0.084 0.000 2.293 25 F HA -0.153 4.375 4.527 0.002 0.000 0.300 25 F C 2.346 178.104 175.800 -0.070 0.000 1.086 25 F CA 1.216 59.152 58.000 -0.108 0.000 1.375 25 F CB 0.009 38.914 39.000 -0.158 0.000 1.045 25 F HN 0.538 nan 8.300 nan 0.000 0.516 26 K N 0.847 121.374 120.400 0.211 0.000 2.026 26 K HA -0.222 4.099 4.320 0.002 0.000 0.208 26 K C 2.348 178.963 176.600 0.026 0.000 1.048 26 K CA 1.627 57.993 56.287 0.132 0.000 0.929 26 K CB -0.700 31.858 32.500 0.096 0.000 0.713 26 K HN 0.359 nan 8.250 nan 0.000 0.439 27 L N 1.096 122.319 121.223 -0.001 0.000 2.021 27 L HA -0.238 4.103 4.340 0.002 0.000 0.215 27 L C 2.631 179.474 176.870 -0.046 0.000 1.074 27 L CA 3.122 57.951 54.840 -0.019 0.000 0.760 27 L CB -2.627 39.422 42.059 -0.018 0.000 0.889 27 L HN 0.652 nan 8.230 nan 0.000 0.433 28 T N -2.115 112.378 114.554 -0.103 0.000 2.869 28 T HA -0.030 4.321 4.350 0.002 0.000 0.270 28 T C 0.952 175.575 174.700 -0.128 0.000 1.082 28 T CA 0.908 62.919 62.100 -0.148 0.000 1.123 28 T CB -1.361 67.343 68.868 -0.274 0.000 0.856 28 T HN 0.629 nan 8.240 nan 0.000 0.499 29 V N 1.480 121.333 119.914 -0.101 0.000 2.999 29 V HA 0.466 4.587 4.120 0.002 0.000 0.307 29 V C 0.478 176.569 176.094 -0.005 0.000 1.084 29 V CA 0.263 62.537 62.300 -0.044 0.000 1.155 29 V CB 0.857 32.692 31.823 0.020 0.000 0.975 29 V HN 0.670 nan 8.190 nan 0.000 0.490 30 S N 1.182 116.891 115.700 0.015 0.000 2.608 30 S HA 0.241 4.712 4.470 0.002 0.000 0.285 30 S C -0.191 174.430 174.600 0.035 0.000 1.108 30 S CA -0.436 57.784 58.200 0.034 0.000 0.858 30 S CB 1.660 64.891 63.200 0.051 0.000 1.077 30 S HN 0.837 nan 8.310 nan 0.000 0.450 31 D N 1.403 121.819 120.400 0.027 0.000 2.327 31 D HA 0.245 4.887 4.640 0.002 0.000 0.205 31 D C 0.065 176.348 176.300 -0.028 0.000 0.989 31 D CA 0.440 54.447 54.000 0.012 0.000 0.873 31 D CB 0.233 41.040 40.800 0.011 0.000 0.955 31 D HN 0.393 nan 8.370 nan 0.000 0.515 32 K N 1.552 121.925 120.400 -0.044 0.000 2.253 32 K HA 0.050 4.371 4.320 0.002 0.000 0.273 32 K C 0.024 176.394 176.600 -0.385 0.000 1.118 32 K CA 0.287 56.458 56.287 -0.193 0.000 1.100 32 K CB 0.267 32.728 32.500 -0.065 0.000 0.932 32 K HN 0.099 nan 8.250 nan 0.000 0.433 33 R N 2.040 122.269 120.500 -0.452 0.000 2.583 33 R HA 0.346 4.688 4.340 0.002 0.000 0.268 33 R C -0.488 175.353 176.300 -0.766 0.000 1.101 33 R CA -0.257 55.598 56.100 -0.408 0.000 1.180 33 R CB 0.556 30.710 30.300 -0.242 0.000 1.128 33 R HN 0.399 nan 8.270 nan 0.000 0.568 34 Y N -0.699 119.440 120.300 -0.270 0.000 2.670 34 Y HA 0.542 5.093 4.550 0.002 0.000 0.334 34 Y C -0.441 175.126 175.900 -0.555 0.000 1.185 34 Y CA -0.864 57.007 58.100 -0.383 0.000 1.053 34 Y CB 1.648 39.845 38.460 -0.438 0.000 1.298 34 Y HN 0.379 nan 8.280 nan 0.000 0.459 35 I N -0.320 119.985 120.570 -0.441 0.000 3.095 35 I HA 0.441 4.613 4.170 0.002 0.000 0.310 35 I C -1.894 173.868 176.117 -0.591 0.000 1.196 35 I CA -1.149 59.815 61.300 -0.560 0.000 0.985 35 I CB 2.241 39.929 38.000 -0.520 0.000 1.250 35 I HN 0.702 nan 8.210 nan 0.000 0.446 36 W N 5.559 126.718 121.300 -0.234 0.000 2.349 36 W HA 0.462 5.123 4.660 0.002 0.000 0.309 36 W C -0.940 175.570 176.519 -0.016 0.000 1.083 36 W CA -0.488 56.737 57.345 -0.200 0.000 1.224 36 W CB 0.991 30.242 29.460 -0.348 0.000 1.256 36 W HN 0.299 nan 8.180 nan 0.000 0.461 37 Y N 0.447 120.872 120.300 0.208 0.000 2.602 37 Y HA 0.631 5.182 4.550 0.002 0.000 0.342 37 Y C -0.907 175.095 175.900 0.171 0.000 1.029 37 Y CA -2.238 55.932 58.100 0.117 0.000 1.080 37 Y CB 0.899 39.244 38.460 -0.192 0.000 1.284 37 Y HN 0.390 nan 8.280 nan 0.000 0.485 38 N N 2.803 121.642 118.700 0.232 0.000 2.469 38 N HA 0.355 5.096 4.740 0.002 0.000 0.253 38 N C -2.609 173.070 175.510 0.281 0.000 0.970 38 N CA -2.378 50.673 53.050 0.003 0.000 0.940 38 N CB 1.277 39.636 38.487 -0.213 0.000 1.128 38 N HN 0.423 nan 8.380 nan 0.000 0.503 39 P HA -0.057 nan 4.420 nan 0.000 0.236 39 P C -0.679 176.721 177.300 0.167 0.000 1.172 39 P CA 1.280 64.606 63.100 0.378 0.000 0.759 39 P CB 0.275 32.175 31.700 0.333 0.000 0.843 40 D N -1.005 119.449 120.400 0.090 0.000 2.219 40 D HA 0.047 4.689 4.640 0.002 0.000 0.191 40 D C -2.389 173.902 176.300 -0.015 0.000 1.272 40 D CA -0.997 53.023 54.000 0.034 0.000 0.873 40 D CB 1.329 42.142 40.800 0.021 0.000 1.730 40 D HN -0.130 nan 8.370 nan 0.000 0.519 41 P HA -0.052 nan 4.420 nan 0.000 0.234 41 P C 1.144 178.418 177.300 -0.044 0.000 1.167 41 P CA 0.263 63.345 63.100 -0.030 0.000 0.763 41 P CB 0.573 32.272 31.700 -0.000 0.000 0.835 42 K N 0.682 121.060 120.400 -0.038 0.000 1.969 42 K HA -0.089 4.233 4.320 0.002 0.000 0.216 42 K C 0.986 177.550 176.600 -0.061 0.000 1.048 42 K CA 1.218 57.482 56.287 -0.040 0.000 0.948 42 K CB -1.095 31.385 32.500 -0.033 0.000 0.726 42 K HN 0.187 nan 8.250 nan 0.000 0.442 43 E N 1.861 122.016 120.200 -0.075 0.000 1.893 43 E HA 0.015 4.367 4.350 0.002 0.000 0.269 43 E C 1.015 177.516 176.600 -0.166 0.000 1.129 43 E CA 0.016 56.354 56.400 -0.104 0.000 0.904 43 E CB 0.470 30.117 29.700 -0.088 0.000 1.077 43 E HN 0.234 nan 8.360 nan 0.000 0.407 44 R N 1.264 121.657 120.500 -0.179 0.000 2.276 44 R HA 0.025 4.367 4.340 0.002 0.000 0.203 44 R C 0.237 176.312 176.300 -0.376 0.000 1.017 44 R CA 0.664 56.606 56.100 -0.264 0.000 1.010 44 R CB 0.275 30.484 30.300 -0.152 0.000 0.900 44 R HN -0.007 nan 8.270 nan 0.000 0.469 45 D N 0.474 120.718 120.400 -0.259 0.000 2.340 45 D HA 0.072 4.714 4.640 0.002 0.000 0.220 45 D C -0.283 175.883 176.300 -0.222 0.000 1.039 45 D CA 0.396 54.279 54.000 -0.196 0.000 0.866 45 D CB 0.502 41.191 40.800 -0.184 0.000 0.913 45 D HN 0.085 nan 8.370 nan 0.000 0.523 46 S N -0.429 115.066 115.700 -0.342 0.000 2.554 46 S HA 0.530 5.001 4.470 0.002 0.000 0.278 46 S C -0.983 173.345 174.600 -0.454 0.000 1.242 46 S CA -0.348 57.703 58.200 -0.248 0.000 1.051 46 S CB 0.561 63.661 63.200 -0.167 0.000 0.986 46 S HN 0.016 nan 8.310 nan 0.000 0.502 47 Y N 0.754 120.978 120.300 -0.126 0.000 2.581 47 Y HA 0.478 5.029 4.550 0.002 0.000 0.337 47 Y C 0.025 175.825 175.900 -0.166 0.000 1.108 47 Y CA -1.034 56.975 58.100 -0.153 0.000 1.033 47 Y CB 1.440 39.842 38.460 -0.097 0.000 1.318 47 Y HN 0.446 nan 8.280 nan 0.000 0.459 48 E N 0.305 120.373 120.200 -0.219 0.000 2.410 48 E HA 0.406 4.757 4.350 0.002 0.000 0.269 48 E C -1.399 175.059 176.600 -0.237 0.000 0.937 48 E CA -0.809 55.456 56.400 -0.225 0.000 0.793 48 E CB 2.929 32.437 29.700 -0.320 0.000 1.314 48 E HN 0.662 nan 8.360 nan 0.000 0.447 49 C N 0.847 120.097 119.300 -0.084 0.000 2.330 49 C HA 0.795 5.257 4.460 0.002 0.000 0.344 49 C C 0.353 175.364 174.990 0.035 0.000 1.273 49 C CA -0.035 58.836 59.018 -0.246 0.000 1.879 49 C CB -0.686 26.745 27.740 -0.516 0.000 2.376 49 C HN 0.639 nan 8.230 nan 0.000 0.534 50 G N 4.256 113.136 108.800 0.133 0.000 2.461 50 G HA2 0.486 4.448 3.960 0.002 0.000 0.323 50 G HA3 0.486 4.448 3.960 0.002 0.000 0.323 50 G C -1.029 174.082 174.900 0.351 0.000 1.229 50 G CA -0.236 45.096 45.100 0.387 0.000 0.941 50 G HN 0.931 nan 8.290 nan 0.000 0.477 51 E N 2.357 122.775 120.200 0.364 0.000 2.180 51 E HA 0.219 4.571 4.350 0.002 0.000 0.283 51 E C 0.096 176.649 176.600 -0.078 0.000 1.061 51 E CA -0.806 55.561 56.400 -0.054 0.000 0.861 51 E CB 0.667 30.306 29.700 -0.102 0.000 1.056 51 E HN 0.450 nan 8.360 nan 0.000 0.407 52 I N 4.005 124.453 120.570 -0.204 0.000 2.505 52 I HA 0.007 4.178 4.170 0.002 0.000 0.287 52 I C -0.171 175.899 176.117 -0.079 0.000 1.104 52 I CA 0.066 61.336 61.300 -0.049 0.000 1.387 52 I CB 1.233 39.190 38.000 -0.071 0.000 1.404 52 I HN 0.396 nan 8.210 nan 0.000 0.528 53 V N 4.463 124.374 119.914 -0.005 0.000 3.621 53 V HA 0.233 4.355 4.120 0.002 0.000 0.263 53 V C 0.926 177.022 176.094 0.004 0.000 1.272 53 V CA 0.896 63.185 62.300 -0.019 0.000 1.080 53 V CB -0.577 31.233 31.823 -0.022 0.000 0.816 53 V HN 0.909 nan 8.190 nan 0.000 0.451 54 S N 0.214 115.936 115.700 0.036 0.000 2.546 54 S HA 0.570 5.042 4.470 0.002 0.000 0.274 54 S C -1.266 173.393 174.600 0.097 0.000 1.121 54 S CA -0.554 57.670 58.200 0.039 0.000 0.887 54 S CB 2.510 65.713 63.200 0.005 0.000 1.094 54 S HN 0.367 nan 8.310 nan 0.000 0.474 55 E N 2.678 122.921 120.200 0.072 0.000 2.220 55 E HA 0.394 4.746 4.350 0.002 0.000 0.256 55 E C -0.332 176.255 176.600 -0.023 0.000 0.881 55 E CA -0.464 55.977 56.400 0.069 0.000 0.766 55 E CB 1.653 31.425 29.700 0.120 0.000 1.187 55 E HN 0.694 nan 8.360 nan 0.000 0.419 56 T N 1.390 115.892 114.554 -0.086 0.000 2.801 56 T HA 0.052 4.404 4.350 0.002 0.000 0.324 56 T C 1.299 175.930 174.700 -0.115 0.000 1.088 56 T CA 0.021 62.064 62.100 -0.095 0.000 0.975 56 T CB 0.626 69.427 68.868 -0.110 0.000 1.316 56 T HN 0.498 nan 8.240 nan 0.000 0.533 57 S N 0.236 115.875 115.700 -0.103 0.000 2.425 57 S HA 0.133 4.604 4.470 0.002 0.000 0.225 57 S C 1.321 175.839 174.600 -0.137 0.000 1.024 57 S CA 0.969 59.113 58.200 -0.093 0.000 0.951 57 S CB -0.103 63.062 63.200 -0.058 0.000 0.796 57 S HN 0.866 nan 8.310 nan 0.000 0.498 58 D N 0.798 121.092 120.400 -0.177 0.000 2.720 58 D HA 0.602 5.243 4.640 0.002 0.000 0.285 58 D C 0.069 176.170 176.300 -0.332 0.000 1.359 58 D CA 0.281 54.153 54.000 -0.213 0.000 0.818 58 D CB 0.159 40.886 40.800 -0.121 0.000 1.108 58 D HN 0.353 nan 8.370 nan 0.000 0.474 59 S N -1.259 114.118 115.700 -0.539 0.000 2.633 59 S HA 0.707 5.179 4.470 0.002 0.000 0.271 59 S C -1.799 172.366 174.600 -0.725 0.000 1.112 59 S CA -0.756 57.074 58.200 -0.617 0.000 0.828 59 S CB 0.811 63.874 63.200 -0.229 0.000 1.086 59 S HN 0.418 nan 8.310 nan 0.000 0.461 60 F N 0.531 120.513 119.950 0.054 0.000 2.594 60 F HA 0.812 5.340 4.527 0.002 0.000 0.335 60 F C 0.546 176.380 175.800 0.056 0.000 1.058 60 F CA -0.843 57.197 58.000 0.066 0.000 0.981 60 F CB 1.931 40.988 39.000 0.095 0.000 1.289 60 F HN 0.554 nan 8.300 nan 0.000 0.490 61 T N 2.487 117.170 114.554 0.216 0.000 2.930 61 T HA 0.519 4.870 4.350 0.002 0.000 0.313 61 T C -1.014 173.689 174.700 0.005 0.000 1.019 61 T CA -0.477 61.608 62.100 -0.026 0.000 1.004 61 T CB 0.178 69.011 68.868 -0.059 0.000 0.987 61 T HN 0.446 nan 8.240 nan 0.000 0.456 62 F N 0.272 120.216 119.950 -0.011 0.000 2.572 62 F HA 0.775 5.303 4.527 0.002 0.000 0.342 62 F C -0.002 175.754 175.800 -0.074 0.000 1.064 62 F CA -1.553 56.421 58.000 -0.044 0.000 1.008 62 F CB 1.195 40.173 39.000 -0.037 0.000 1.303 62 F HN 0.107 nan 8.300 nan 0.000 0.492 63 K N 2.010 122.550 120.400 0.233 0.000 2.334 63 K HA 0.247 4.568 4.320 0.002 0.000 0.265 63 K C -0.381 176.360 176.600 0.234 0.000 1.039 63 K CA -0.450 55.908 56.287 0.118 0.000 0.920 63 K CB 0.974 33.520 32.500 0.078 0.000 1.160 63 K HN 0.996 nan 8.250 nan 0.000 0.451 64 T N -0.732 113.887 114.554 0.108 0.000 2.785 64 T HA -0.080 4.272 4.350 0.002 0.000 0.341 64 T C 1.751 176.609 174.700 0.262 0.000 1.093 64 T CA 0.214 62.423 62.100 0.181 0.000 1.103 64 T CB 0.426 69.321 68.868 0.044 0.000 1.011 64 T HN 0.413 nan 8.240 nan 0.000 0.549 65 V N 0.946 121.070 119.914 0.349 0.000 2.809 65 V HA -0.040 4.081 4.120 0.002 0.000 0.256 65 V C 2.287 178.470 176.094 0.149 0.000 1.080 65 V CA 2.079 64.511 62.300 0.221 0.000 1.102 65 V CB -0.797 31.143 31.823 0.196 0.000 0.705 65 V HN 1.016 nan 8.190 nan 0.000 0.475 66 D N -0.329 120.157 120.400 0.143 0.000 2.340 66 D HA 0.230 4.872 4.640 0.002 0.000 0.220 66 D C 1.513 177.852 176.300 0.065 0.000 1.039 66 D CA 1.080 55.135 54.000 0.092 0.000 0.866 66 D CB 0.598 41.447 40.800 0.083 0.000 0.913 66 D HN 0.863 nan 8.370 nan 0.000 0.523 67 G N 0.069 108.911 108.800 0.071 0.000 2.284 67 G HA2 -0.329 3.632 3.960 0.002 0.000 0.230 67 G HA3 -0.329 3.632 3.960 0.002 0.000 0.230 67 G C 0.684 175.591 174.900 0.011 0.000 1.021 67 G CA 0.325 45.452 45.100 0.044 0.000 0.619 67 G HN 0.806 nan 8.290 nan 0.000 0.510 68 Q N 0.731 120.529 119.800 -0.003 0.000 2.330 68 Q HA 0.496 4.838 4.340 0.002 0.000 0.279 68 Q C 0.351 176.288 176.000 -0.105 0.000 1.024 68 Q CA 1.581 57.356 55.803 -0.047 0.000 0.900 68 Q CB -0.581 28.128 28.738 -0.048 0.000 1.221 68 Q HN 1.997 nan 8.270 nan 0.000 0.396 69 D N 1.399 121.719 120.400 -0.135 0.000 2.354 69 D HA 0.695 5.336 4.640 0.002 0.000 0.247 69 D C 0.150 176.240 176.300 -0.350 0.000 1.138 69 D CA -0.049 53.817 54.000 -0.224 0.000 0.958 69 D CB 0.611 41.311 40.800 -0.166 0.000 1.144 69 D HN 0.639 nan 8.370 nan 0.000 0.458 70 R N -1.095 119.037 120.500 -0.613 0.000 2.781 70 R HA 0.756 5.098 4.340 0.002 0.000 0.269 70 R C -0.545 175.329 176.300 -0.711 0.000 1.025 70 R CA -0.540 55.135 56.100 -0.708 0.000 0.914 70 R CB 1.452 31.182 30.300 -0.951 0.000 1.236 70 R HN 0.773 nan 8.270 nan 0.000 0.465 71 Q N 0.311 119.866 119.800 -0.408 0.000 2.351 71 Q HA 0.782 5.123 4.340 0.002 0.000 0.273 71 Q C -0.957 175.039 176.000 -0.007 0.000 1.077 71 Q CA -0.864 54.828 55.803 -0.184 0.000 0.843 71 Q CB 2.408 31.082 28.738 -0.106 0.000 1.367 71 Q HN 0.383 nan 8.270 nan 0.000 0.449 72 V N -0.570 119.424 119.914 0.132 0.000 3.077 72 V HA 0.831 4.952 4.120 0.002 0.000 0.299 72 V C -0.237 175.947 176.094 0.149 0.000 1.276 72 V CA -0.841 61.610 62.300 0.250 0.000 0.993 72 V CB 1.434 33.564 31.823 0.512 0.000 1.076 72 V HN 1.259 nan 8.190 nan 0.000 0.434 73 K N 0.832 121.298 120.400 0.111 0.000 2.249 73 K HA 0.651 4.973 4.320 0.002 0.000 0.280 73 K C 1.104 177.750 176.600 0.075 0.000 1.033 73 K CA 0.143 56.440 56.287 0.018 0.000 0.946 73 K CB 0.579 33.088 32.500 0.015 0.000 1.005 73 K HN 1.215 nan 8.250 nan 0.000 0.469 74 K N 1.017 121.334 120.400 -0.137 0.000 2.286 74 K HA -0.162 4.159 4.320 0.002 0.000 0.203 74 K C 1.390 178.092 176.600 0.169 0.000 1.045 74 K CA 2.369 58.632 56.287 -0.039 0.000 0.935 74 K CB -0.465 31.819 32.500 -0.362 0.000 0.737 74 K HN 0.852 nan 8.250 nan 0.000 0.460 75 D N -0.249 120.200 120.400 0.081 0.000 2.367 75 D HA 0.027 4.668 4.640 0.002 0.000 0.207 75 D C 0.704 177.059 176.300 0.091 0.000 1.034 75 D CA 0.360 54.409 54.000 0.081 0.000 0.861 75 D CB 0.669 41.498 40.800 0.049 0.000 0.943 75 D HN 0.503 nan 8.370 nan 0.000 0.515 76 D N 0.329 120.797 120.400 0.113 0.000 2.369 76 D HA 0.140 4.781 4.640 0.002 0.000 0.211 76 D C 0.384 176.769 176.300 0.141 0.000 1.077 76 D CA 0.044 54.113 54.000 0.115 0.000 0.842 76 D CB 0.602 41.468 40.800 0.110 0.000 0.947 76 D HN 0.062 nan 8.370 nan 0.000 0.509 77 A N 1.322 124.247 122.820 0.174 0.000 2.409 77 A HA 0.181 4.503 4.320 0.002 0.000 0.267 77 A C 0.304 177.891 177.584 0.006 0.000 1.127 77 A CA -0.278 51.834 52.037 0.125 0.000 0.795 77 A CB 0.245 19.372 19.000 0.213 0.000 1.061 77 A HN -0.058 nan 8.150 nan 0.000 0.502 78 N N 3.034 121.728 118.700 -0.011 0.000 2.767 78 N HA 0.108 4.849 4.740 0.002 0.000 0.238 78 N C -0.541 174.890 175.510 -0.132 0.000 1.083 78 N CA 0.159 53.207 53.050 -0.004 0.000 0.964 78 N CB 0.869 39.421 38.487 0.107 0.000 1.252 78 N HN 0.718 nan 8.380 nan 0.000 0.512 79 Q N 0.898 120.503 119.800 -0.324 0.000 2.313 79 Q HA 0.095 4.437 4.340 0.002 0.000 0.266 79 Q C 0.319 176.096 176.000 -0.372 0.000 0.989 79 Q CA 0.124 55.538 55.803 -0.648 0.000 0.890 79 Q CB 1.580 29.502 28.738 -1.360 0.000 1.200 79 Q HN 0.286 nan 8.270 nan 0.000 0.396 80 R N 3.261 123.508 120.500 -0.421 0.000 2.298 80 R HA 0.097 4.438 4.340 0.002 0.000 0.310 80 R C -0.310 176.072 176.300 0.136 0.000 1.068 80 R CA -0.365 55.581 56.100 -0.257 0.000 0.957 80 R CB 0.511 30.320 30.300 -0.818 0.000 1.003 80 R HN 0.624 nan 8.270 nan 0.000 0.454 81 N N 4.348 123.221 118.700 0.290 0.000 2.415 81 N HA 0.135 4.876 4.740 0.002 0.000 0.248 81 N C -2.352 173.312 175.510 0.256 0.000 1.271 81 N CA -1.021 52.157 53.050 0.213 0.000 0.913 81 N CB 0.485 38.919 38.487 -0.088 0.000 1.129 81 N HN 0.438 nan 8.380 nan 0.000 0.444 82 P HA 0.069 nan 4.420 nan 0.000 0.267 82 P C 0.936 178.460 177.300 0.373 0.000 1.200 82 P CA -0.188 63.139 63.100 0.377 0.000 0.772 82 P CB 0.541 32.468 31.700 0.378 0.000 0.855 83 I N 2.256 122.942 120.570 0.193 0.000 2.335 83 I HA -0.244 3.927 4.170 0.002 0.000 0.251 83 I C 2.241 178.417 176.117 0.098 0.000 1.129 83 I CA 1.543 62.930 61.300 0.144 0.000 1.402 83 I CB -0.572 37.481 38.000 0.089 0.000 1.069 83 I HN 0.414 nan 8.210 nan 0.000 0.424 84 K N 0.997 121.401 120.400 0.008 0.000 2.113 84 K HA -0.213 4.108 4.320 0.002 0.000 0.208 84 K C 1.912 178.473 176.600 -0.064 0.000 1.047 84 K CA 1.933 58.150 56.287 -0.116 0.000 0.928 84 K CB -0.590 31.724 32.500 -0.310 0.000 0.716 84 K HN 0.336 nan 8.250 nan 0.000 0.446 85 F N 1.611 121.586 119.950 0.042 0.000 2.661 85 F HA 0.019 4.548 4.527 0.002 0.000 0.298 85 F C 0.427 176.263 175.800 0.060 0.000 1.137 85 F CA -0.027 58.008 58.000 0.059 0.000 1.454 85 F CB -0.174 38.871 39.000 0.076 0.000 1.103 85 F HN -0.129 nan 8.300 nan 0.000 0.577 86 D N 0.808 121.347 120.400 0.232 0.000 2.368 86 D HA 0.304 4.946 4.640 0.002 0.000 0.268 86 D C 1.285 177.610 176.300 0.042 0.000 1.298 86 D CA 1.156 55.234 54.000 0.130 0.000 0.938 86 D CB 0.337 41.221 40.800 0.140 0.000 1.101 86 D HN 0.411 nan 8.370 nan 0.000 0.509 87 G N 1.097 109.905 108.800 0.012 0.000 2.192 87 G HA2 -0.233 3.729 3.960 0.002 0.000 0.193 87 G HA3 -0.233 3.729 3.960 0.002 0.000 0.193 87 G C 0.462 175.379 174.900 0.029 0.000 0.999 87 G CA -0.081 45.013 45.100 -0.010 0.000 0.659 87 G HN 0.671 nan 8.290 nan 0.000 0.503 88 V N -0.926 119.038 119.914 0.083 0.000 3.032 88 V HA 0.400 4.521 4.120 0.002 0.000 0.307 88 V C 1.420 177.567 176.094 0.089 0.000 1.097 88 V CA 1.195 63.559 62.300 0.106 0.000 1.191 88 V CB 0.880 32.809 31.823 0.175 0.000 0.964 88 V HN 0.364 nan 8.190 nan 0.000 0.494 89 E N 0.618 120.883 120.200 0.108 0.000 2.208 89 E HA -0.027 4.325 4.350 0.002 0.000 0.193 89 E C 0.168 176.881 176.600 0.190 0.000 0.988 89 E CA 1.047 57.519 56.400 0.120 0.000 0.828 89 E CB 0.193 29.980 29.700 0.144 0.000 0.763 89 E HN 0.884 nan 8.360 nan 0.000 0.478 90 D N -0.537 119.990 120.400 0.212 0.000 2.593 90 D HA 0.120 4.761 4.640 0.002 0.000 0.251 90 D C 0.159 176.566 176.300 0.178 0.000 1.140 90 D CA -0.429 53.721 54.000 0.250 0.000 0.855 90 D CB 1.633 42.579 40.800 0.244 0.000 1.267 90 D HN -0.185 nan 8.370 nan 0.000 0.532 91 M N 1.745 121.441 119.600 0.160 0.000 2.446 91 M HA -0.074 4.407 4.480 0.002 0.000 0.263 91 M C 1.669 178.032 176.300 0.105 0.000 1.066 91 M CA 0.894 56.262 55.300 0.115 0.000 1.087 91 M CB -0.030 32.633 32.600 0.105 0.000 1.406 91 M HN 0.242 nan 8.290 nan 0.000 0.459 92 S N 0.089 115.862 115.700 0.122 0.000 2.500 92 S HA -0.123 4.349 4.470 0.002 0.000 0.239 92 S C 1.396 176.047 174.600 0.085 0.000 0.989 92 S CA 0.923 59.179 58.200 0.093 0.000 0.951 92 S CB -0.420 62.831 63.200 0.084 0.000 0.759 92 S HN 0.592 nan 8.310 nan 0.000 0.523 93 E N 0.413 120.687 120.200 0.123 0.000 2.502 93 E HA 0.120 4.472 4.350 0.002 0.000 0.194 93 E C -0.149 176.562 176.600 0.185 0.000 1.062 93 E CA 0.058 56.570 56.400 0.186 0.000 0.867 93 E CB 0.056 29.904 29.700 0.247 0.000 0.888 93 E HN 0.450 nan 8.360 nan 0.000 0.510 94 L N 0.211 121.445 121.223 0.019 0.000 2.399 94 L HA 0.141 4.483 4.340 0.002 0.000 0.266 94 L C 1.444 178.122 176.870 -0.321 0.000 1.114 94 L CA -0.278 54.402 54.840 -0.265 0.000 0.804 94 L CB 1.435 43.388 42.059 -0.178 0.000 1.146 94 L HN -0.054 nan 8.230 nan 0.000 0.451 95 S N 0.721 116.027 115.700 -0.657 0.000 2.336 95 S HA 0.043 4.515 4.470 0.002 0.000 0.216 95 S C 0.305 174.641 174.600 -0.441 0.000 1.032 95 S CA 0.525 58.390 58.200 -0.559 0.000 0.973 95 S CB 0.003 62.706 63.200 -0.829 0.000 0.888 95 S HN 0.404 nan 8.310 nan 0.000 0.455 96 Y N 1.655 121.840 120.300 -0.192 0.000 2.504 96 Y HA 0.351 4.902 4.550 0.002 0.000 0.351 96 Y C 0.384 176.242 175.900 -0.070 0.000 0.988 96 Y CA -0.418 57.624 58.100 -0.097 0.000 1.239 96 Y CB 0.363 38.780 38.460 -0.072 0.000 1.128 96 Y HN 0.125 nan 8.280 nan 0.000 0.525 97 L N 4.524 125.801 121.223 0.089 0.000 2.851 97 L HA 0.123 4.464 4.340 0.002 0.000 0.237 97 L C -0.040 176.857 176.870 0.046 0.000 1.257 97 L CA -0.414 54.455 54.840 0.048 0.000 1.061 97 L CB -0.816 41.264 42.059 0.034 0.000 1.372 97 L HN 0.726 nan 8.230 nan 0.000 0.493 98 N N -1.815 116.918 118.700 0.055 0.000 2.424 98 N HA 0.007 4.749 4.740 0.002 0.000 0.257 98 N C 0.740 176.225 175.510 -0.041 0.000 1.250 98 N CA -0.534 52.526 53.050 0.017 0.000 0.946 98 N CB 0.604 39.107 38.487 0.026 0.000 1.175 98 N HN 0.047 nan 8.380 nan 0.000 0.477 99 E N -0.343 119.820 120.200 -0.061 0.000 2.058 99 E HA -0.170 4.182 4.350 0.002 0.000 0.194 99 E C -0.825 175.640 176.600 -0.225 0.000 0.997 99 E CA 1.324 57.666 56.400 -0.096 0.000 0.801 99 E CB -1.077 28.593 29.700 -0.051 0.000 0.746 99 E HN 0.647 nan 8.360 nan 0.000 0.450 100 P HA -0.110 nan 4.420 nan 0.000 0.219 100 P C 1.128 177.957 177.300 -0.784 0.000 1.150 100 P CA 1.552 64.112 63.100 -0.899 0.000 0.814 100 P CB 0.040 30.726 31.700 -1.689 0.000 0.787 101 A N 0.049 122.604 122.820 -0.442 0.000 1.877 101 A HA -0.124 4.197 4.320 0.002 0.000 0.216 101 A C 2.424 179.966 177.584 -0.071 0.000 1.186 101 A CA 1.896 53.865 52.037 -0.114 0.000 0.620 101 A CB -1.673 17.384 19.000 0.096 0.000 0.822 101 A HN 0.054 nan 8.150 nan 0.000 0.443 102 V N -1.274 118.594 119.914 -0.075 0.000 2.295 102 V HA -0.232 3.889 4.120 0.002 0.000 0.246 102 V C 2.295 178.360 176.094 -0.047 0.000 1.049 102 V CA 2.127 64.405 62.300 -0.035 0.000 1.024 102 V CB -0.970 30.846 31.823 -0.012 0.000 0.648 102 V HN 0.624 nan 8.190 nan 0.000 0.447 103 F N 0.787 120.605 119.950 -0.220 0.000 2.134 103 F HA -0.212 4.316 4.527 0.002 0.000 0.299 103 F C 2.436 178.109 175.800 -0.212 0.000 1.097 103 F CA 2.256 60.123 58.000 -0.222 0.000 1.264 103 F CB -0.496 38.357 39.000 -0.245 0.000 1.001 103 F HN 0.310 nan 8.300 nan 0.000 0.479 104 H N 0.154 118.964 119.070 -0.433 0.000 2.319 104 H HA -0.190 4.367 4.556 0.002 0.000 0.299 104 H C 2.324 177.472 175.328 -0.299 0.000 1.092 104 H CA 2.334 58.108 56.048 -0.457 0.000 1.302 104 H CB -0.761 28.739 29.762 -0.437 0.000 1.373 104 H HN 0.364 nan 8.280 nan 0.000 0.497 105 N N -0.144 118.411 118.700 -0.242 0.000 2.120 105 N HA -0.147 4.595 4.740 0.002 0.000 0.188 105 N C 1.966 177.324 175.510 -0.255 0.000 1.024 105 N CA 1.364 54.287 53.050 -0.212 0.000 0.852 105 N CB -0.046 38.409 38.487 -0.053 0.000 1.003 105 N HN 0.372 nan 8.380 nan 0.000 0.424 106 L N 1.013 122.072 121.223 -0.274 0.000 2.083 106 L HA -0.137 4.205 4.340 0.002 0.000 0.209 106 L C 2.801 179.460 176.870 -0.352 0.000 1.083 106 L CA 0.935 55.614 54.840 -0.269 0.000 0.752 106 L CB -0.379 41.523 42.059 -0.263 0.000 0.899 106 L HN 0.252 nan 8.230 nan 0.000 0.433 107 R N 0.068 120.211 120.500 -0.594 0.000 2.075 107 R HA -0.120 4.221 4.340 0.002 0.000 0.232 107 R C 2.134 178.257 176.300 -0.295 0.000 1.126 107 R CA 1.495 57.266 56.100 -0.548 0.000 0.963 107 R CB -0.423 29.375 30.300 -0.837 0.000 0.858 107 R HN 0.111 nan 8.270 nan 0.000 0.435 108 V N 1.707 121.386 119.914 -0.390 0.000 2.332 108 V HA -0.251 3.871 4.120 0.002 0.000 0.248 108 V C 2.568 178.566 176.094 -0.160 0.000 1.055 108 V CA 2.223 64.351 62.300 -0.286 0.000 1.038 108 V CB -0.573 31.029 31.823 -0.369 0.000 0.651 108 V HN 0.417 nan 8.190 nan 0.000 0.450 109 R N -1.326 119.087 120.500 -0.146 0.000 2.062 109 R HA -0.166 4.176 4.340 0.002 0.000 0.231 109 R C 2.360 178.623 176.300 -0.063 0.000 1.136 109 R CA 1.912 57.957 56.100 -0.091 0.000 0.948 109 R CB -0.600 29.653 30.300 -0.079 0.000 0.845 109 R HN 0.545 nan 8.270 nan 0.000 0.430 110 Y N 2.388 122.575 120.300 -0.188 0.000 2.256 110 Y HA -0.200 4.352 4.550 0.002 0.000 0.288 110 Y C 1.701 177.524 175.900 -0.128 0.000 1.155 110 Y CA 1.376 59.376 58.100 -0.166 0.000 1.203 110 Y CB -0.206 38.144 38.460 -0.184 0.000 0.980 110 Y HN 0.047 nan 8.280 nan 0.000 0.530 111 N N 0.252 118.935 118.700 -0.028 0.000 2.364 111 N HA -0.152 4.590 4.740 0.002 0.000 0.183 111 N C 0.845 176.290 175.510 -0.108 0.000 1.022 111 N CA 1.375 54.388 53.050 -0.063 0.000 0.883 111 N CB -0.225 38.236 38.487 -0.043 0.000 0.965 111 N HN 0.597 nan 8.380 nan 0.000 0.438 112 Q N 0.011 119.739 119.800 -0.121 0.000 2.188 112 Q HA 0.098 4.439 4.340 0.002 0.000 0.212 112 Q C -0.735 175.182 176.000 -0.139 0.000 0.846 112 Q CA -0.223 55.515 55.803 -0.108 0.000 0.989 112 Q CB 0.626 29.314 28.738 -0.084 0.000 1.114 112 Q HN 0.063 nan 8.270 nan 0.000 0.488 113 D N 0.185 120.445 120.400 -0.233 0.000 2.945 113 D HA -0.174 4.468 4.640 0.002 0.000 0.225 113 D C -0.929 175.239 176.300 -0.221 0.000 1.158 113 D CA 0.872 54.701 54.000 -0.284 0.000 0.805 113 D CB -1.210 39.482 40.800 -0.181 0.000 1.098 113 D HN 0.336 nan 8.370 nan 0.000 0.426 114 L N 1.283 122.396 121.223 -0.183 0.000 2.315 114 L HA 0.327 4.668 4.340 0.002 0.000 0.278 114 L C 2.083 178.864 176.870 -0.148 0.000 1.088 114 L CA -0.531 54.227 54.840 -0.137 0.000 0.899 114 L CB 0.308 42.311 42.059 -0.093 0.000 1.277 114 L HN 0.109 nan 8.230 nan 0.000 0.431 115 I N -1.361 119.060 120.570 -0.249 0.000 3.111 115 I HA 0.023 4.194 4.170 0.002 0.000 0.272 115 I C -0.030 175.849 176.117 -0.396 0.000 1.268 115 I CA 0.489 61.603 61.300 -0.310 0.000 1.467 115 I CB -0.173 37.542 38.000 -0.475 0.000 1.087 115 I HN 0.235 nan 8.210 nan 0.000 0.467 116 Y N 1.348 121.549 120.300 -0.164 0.000 2.352 116 Y HA 0.636 5.188 4.550 0.002 0.000 0.339 116 Y C -0.049 175.712 175.900 -0.232 0.000 0.992 116 Y CA -0.786 57.186 58.100 -0.213 0.000 1.100 116 Y CB 1.937 40.225 38.460 -0.286 0.000 1.192 116 Y HN -0.086 nan 8.280 nan 0.000 0.458 117 T N 1.719 116.227 114.554 -0.076 0.000 2.932 117 T HA 0.334 4.686 4.350 0.002 0.000 0.318 117 T C -1.513 173.098 174.700 -0.148 0.000 1.265 117 T CA -1.041 60.977 62.100 -0.137 0.000 1.036 117 T CB 0.845 69.687 68.868 -0.044 0.000 1.209 117 T HN 0.204 nan 8.240 nan 0.000 0.484 118 Y N 0.991 121.366 120.300 0.125 0.000 2.320 118 Y HA 0.611 5.163 4.550 0.003 0.000 0.324 118 Y C 0.963 176.952 175.900 0.148 0.000 1.190 118 Y CA -0.861 57.328 58.100 0.148 0.000 1.215 118 Y CB 1.529 40.069 38.460 0.134 0.000 1.221 118 Y HN 0.585 nan 8.280 nan 0.000 0.486 119 S N 1.903 117.839 115.700 0.394 0.000 2.389 119 S HA 0.529 5.000 4.470 0.002 0.000 0.201 119 S C 0.386 175.184 174.600 0.331 0.000 1.422 119 S CA 0.075 58.460 58.200 0.309 0.000 1.216 119 S CB -0.653 62.716 63.200 0.282 0.000 1.130 119 S HN 1.217 nan 8.310 nan 0.000 0.465 120 G N 3.873 112.814 108.800 0.234 0.000 2.629 120 G HA2 -0.299 3.663 3.960 0.002 0.000 0.313 120 G HA3 -0.299 3.663 3.960 0.002 0.000 0.313 120 G C 0.631 175.618 174.900 0.144 0.000 1.217 120 G CA 0.641 45.835 45.100 0.157 0.000 0.994 120 G HN 0.779 nan 8.290 nan 0.000 0.549 121 L N 0.695 121.977 121.223 0.098 0.000 2.552 121 L HA 0.335 4.677 4.340 0.002 0.000 0.227 121 L C 0.852 177.829 176.870 0.177 0.000 1.146 121 L CA 0.048 54.945 54.840 0.096 0.000 0.858 121 L CB -0.250 41.846 42.059 0.061 0.000 0.969 121 L HN 0.224 nan 8.230 nan 0.000 0.451 122 F N -0.342 119.808 119.950 0.334 0.000 2.399 122 F HA 0.386 4.915 4.527 0.003 0.000 0.328 122 F C 0.054 176.081 175.800 0.379 0.000 1.084 122 F CA -1.081 57.112 58.000 0.323 0.000 1.053 122 F CB 1.336 40.435 39.000 0.165 0.000 1.209 122 F HN -0.308 nan 8.300 nan 0.000 0.502 123 L N 3.681 125.242 121.223 0.563 0.000 2.262 123 L HA 0.523 4.864 4.340 0.002 0.000 0.288 123 L C -0.866 176.156 176.870 0.253 0.000 1.035 123 L CA -0.488 54.583 54.840 0.384 0.000 0.820 123 L CB 0.766 43.002 42.059 0.294 0.000 1.204 123 L HN 0.338 nan 8.230 nan 0.000 0.424 124 V N 5.176 125.183 119.914 0.155 0.000 2.432 124 V HA 0.730 4.851 4.120 0.002 0.000 0.275 124 V C 0.463 176.593 176.094 0.059 0.000 1.043 124 V CA -0.230 62.111 62.300 0.068 0.000 0.925 124 V CB 0.914 32.747 31.823 0.015 0.000 0.985 124 V HN 0.938 nan 8.190 nan 0.000 0.466 125 A N 5.246 128.084 122.820 0.030 0.000 2.311 125 A HA 0.774 5.095 4.320 0.002 0.000 0.306 125 A C -0.792 176.708 177.584 -0.141 0.000 1.189 125 A CA -0.483 51.520 52.037 -0.056 0.000 0.791 125 A CB 1.262 20.296 19.000 0.057 0.000 1.172 125 A HN 0.636 nan 8.150 nan 0.000 0.481 126 V N 3.299 123.102 119.914 -0.185 0.000 2.370 126 V HA 0.233 4.355 4.120 0.002 0.000 0.283 126 V C 0.400 176.411 176.094 -0.140 0.000 1.023 126 V CA -1.085 61.124 62.300 -0.152 0.000 0.857 126 V CB 1.335 33.059 31.823 -0.164 0.000 0.985 126 V HN 0.891 nan 8.190 nan 0.000 0.443 127 N N 7.571 126.130 118.700 -0.234 0.000 2.411 127 N HA 0.065 4.807 4.740 0.002 0.000 0.265 127 N C -1.296 174.065 175.510 -0.248 0.000 1.266 127 N CA -1.313 51.504 53.050 -0.389 0.000 0.889 127 N CB 1.536 39.553 38.487 -0.782 0.000 1.069 127 N HN 0.376 nan 8.380 nan 0.000 0.476 128 P HA 0.014 nan 4.420 nan 0.000 0.231 128 P C -0.165 177.135 177.300 0.001 0.000 1.168 128 P CA 0.357 63.397 63.100 -0.100 0.000 0.779 128 P CB 0.039 31.613 31.700 -0.209 0.000 0.844 129 F N -0.274 119.683 119.950 0.011 0.000 3.071 129 F HA -0.267 4.261 4.527 0.003 0.000 0.295 129 F C 0.567 176.356 175.800 -0.018 0.000 0.919 129 F CA 0.744 58.746 58.000 0.003 0.000 1.050 129 F CB -1.829 37.182 39.000 0.020 0.000 1.040 129 F HN 0.169 nan 8.300 nan 0.000 0.692 130 K N -1.406 119.043 120.400 0.082 0.000 2.660 130 K HA 0.610 4.931 4.320 0.002 0.000 0.285 130 K C -1.048 175.544 176.600 -0.014 0.000 0.997 130 K CA -1.416 54.893 56.287 0.037 0.000 0.861 130 K CB 1.169 33.678 32.500 0.015 0.000 1.469 130 K HN -0.137 nan 8.250 nan 0.000 0.395 131 R N 1.712 122.204 120.500 -0.013 0.000 2.340 131 R HA 0.427 4.769 4.340 0.002 0.000 0.300 131 R C -0.335 175.912 176.300 -0.089 0.000 1.069 131 R CA -0.406 55.679 56.100 -0.025 0.000 0.984 131 R CB -0.118 30.181 30.300 -0.002 0.000 1.003 131 R HN 0.616 nan 8.270 nan 0.000 0.459 132 I N 5.111 125.607 120.570 -0.124 0.000 2.406 132 I HA 0.251 4.422 4.170 0.002 0.000 0.290 132 I C -1.747 174.178 176.117 -0.320 0.000 0.999 132 I CA -2.128 58.993 61.300 -0.299 0.000 1.124 132 I CB 2.427 40.233 38.000 -0.324 0.000 1.289 132 I HN 0.254 nan 8.210 nan 0.000 0.441 133 P HA 0.193 nan 4.420 nan 0.000 0.220 133 P C 0.399 177.540 177.300 -0.265 0.000 1.806 133 P CA 0.093 63.025 63.100 -0.279 0.000 0.976 133 P CB -0.509 31.046 31.700 -0.241 0.000 1.952 134 I N -4.503 115.832 120.570 -0.391 0.000 3.927 134 I HA 0.302 4.473 4.170 0.002 0.000 0.332 134 I C -0.242 175.677 176.117 -0.330 0.000 1.485 134 I CA -0.422 60.677 61.300 -0.336 0.000 1.131 134 I CB -0.160 37.599 38.000 -0.401 0.000 1.092 134 I HN -0.171 nan 8.210 nan 0.000 0.410 135 Y N 1.460 121.861 120.300 0.169 0.000 2.706 135 Y HA 0.292 4.844 4.550 0.002 0.000 0.255 135 Y C 1.381 177.499 175.900 0.363 0.000 1.163 135 Y CA -0.986 57.278 58.100 0.272 0.000 1.174 135 Y CB -0.369 38.175 38.460 0.139 0.000 1.200 135 Y HN 0.183 nan 8.280 nan 0.000 0.544 136 T N -3.257 111.522 114.554 0.375 0.000 2.754 136 T HA 0.049 4.401 4.350 0.002 0.000 0.286 136 T C 1.300 176.163 174.700 0.273 0.000 0.997 136 T CA -0.356 61.906 62.100 0.271 0.000 0.982 136 T CB 1.129 70.112 68.868 0.192 0.000 1.027 136 T HN 0.220 nan 8.240 nan 0.000 0.529 137 Q N 0.078 119.977 119.800 0.166 0.000 2.167 137 Q HA -0.110 4.232 4.340 0.002 0.000 0.202 137 Q C 1.936 177.994 176.000 0.096 0.000 0.970 137 Q CA 1.741 57.605 55.803 0.102 0.000 0.855 137 Q CB -0.389 28.380 28.738 0.051 0.000 0.911 137 Q HN 0.821 nan 8.270 nan 0.000 0.438 138 E N -0.662 119.607 120.200 0.114 0.000 2.077 138 E HA -0.142 4.209 4.350 0.002 0.000 0.193 138 E C 1.717 178.401 176.600 0.140 0.000 0.989 138 E CA 1.361 57.821 56.400 0.100 0.000 0.800 138 E CB -0.093 29.667 29.700 0.100 0.000 0.746 138 E HN 0.378 nan 8.360 nan 0.000 0.452 139 M N -0.033 119.712 119.600 0.242 0.000 2.200 139 M HA -0.084 4.398 4.480 0.002 0.000 0.265 139 M C 2.168 178.757 176.300 0.481 0.000 1.066 139 M CA 0.841 56.364 55.300 0.372 0.000 1.127 139 M CB -0.470 32.406 32.600 0.460 0.000 1.379 139 M HN 0.053 nan 8.290 nan 0.000 0.420 140 V N 1.087 121.193 119.914 0.320 0.000 2.233 140 V HA -0.310 3.811 4.120 0.002 0.000 0.247 140 V C 1.934 178.102 176.094 0.124 0.000 1.050 140 V CA 2.155 64.486 62.300 0.051 0.000 1.010 140 V CB -0.890 30.831 31.823 -0.171 0.000 0.637 140 V HN 0.344 nan 8.190 nan 0.000 0.444 141 D N -0.017 120.408 120.400 0.041 0.000 2.149 141 D HA -0.206 4.436 4.640 0.002 0.000 0.194 141 D C 1.935 178.220 176.300 -0.024 0.000 1.001 141 D CA 1.634 55.629 54.000 -0.008 0.000 0.849 141 D CB -0.384 40.404 40.800 -0.019 0.000 0.939 141 D HN 0.462 nan 8.370 nan 0.000 0.449 142 I N -0.343 120.189 120.570 -0.063 0.000 2.361 142 I HA -0.239 3.932 4.170 0.002 0.000 0.251 142 I C 1.775 177.664 176.117 -0.380 0.000 1.133 142 I CA 0.734 61.851 61.300 -0.306 0.000 1.413 142 I CB -0.213 37.469 38.000 -0.531 0.000 1.073 142 I HN -0.089 nan 8.210 nan 0.000 0.424 143 F N 1.269 121.241 119.950 0.036 0.000 2.558 143 F HA 0.011 4.539 4.527 0.002 0.000 0.298 143 F C 1.104 176.974 175.800 0.117 0.000 1.119 143 F CA 0.213 58.255 58.000 0.070 0.000 1.451 143 F CB -0.474 38.559 39.000 0.054 0.000 1.091 143 F HN -0.155 nan 8.300 nan 0.000 0.563 144 K N 0.873 121.394 120.400 0.201 0.000 2.440 144 K HA 0.136 4.458 4.320 0.002 0.000 0.275 144 K C 1.294 177.953 176.600 0.097 0.000 1.082 144 K CA 0.801 57.171 56.287 0.138 0.000 1.135 144 K CB -0.475 32.042 32.500 0.029 0.000 0.864 144 K HN 0.363 nan 8.250 nan 0.000 0.479 145 G N 2.835 111.714 108.800 0.132 0.000 2.166 145 G HA2 -0.342 3.620 3.960 0.002 0.000 0.260 145 G HA3 -0.342 3.620 3.960 0.002 0.000 0.260 145 G C -0.094 174.846 174.900 0.067 0.000 0.986 145 G CA 0.080 45.233 45.100 0.088 0.000 0.683 145 G HN 0.603 nan 8.290 nan 0.000 0.527 146 R N 0.162 120.712 120.500 0.083 0.000 2.404 146 R HA 0.439 4.781 4.340 0.002 0.000 0.291 146 R C 0.593 176.941 176.300 0.080 0.000 1.025 146 R CA -0.917 55.216 56.100 0.056 0.000 0.991 146 R CB 0.753 31.058 30.300 0.009 0.000 1.053 146 R HN 0.100 nan 8.270 nan 0.000 0.479 147 R N 1.887 122.422 120.500 0.057 0.000 2.738 147 R HA -0.011 4.331 4.340 0.002 0.000 0.268 147 R C 1.410 177.758 176.300 0.078 0.000 1.062 147 R CA -0.002 56.130 56.100 0.053 0.000 1.158 147 R CB 0.236 30.556 30.300 0.034 0.000 1.046 147 R HN 0.706 nan 8.270 nan 0.000 0.493 148 R N 2.302 122.833 120.500 0.052 0.000 2.134 148 R HA -0.259 4.083 4.340 0.002 0.000 0.248 148 R C 1.303 177.662 176.300 0.098 0.000 1.143 148 R CA 2.619 58.745 56.100 0.044 0.000 0.957 148 R CB -0.378 29.845 30.300 -0.128 0.000 0.867 148 R HN 0.867 nan 8.270 nan 0.000 0.441 149 N N -1.293 117.439 118.700 0.053 0.000 2.521 149 N HA -0.082 4.660 4.740 0.002 0.000 0.188 149 N C 0.834 176.399 175.510 0.093 0.000 1.146 149 N CA 0.418 53.512 53.050 0.074 0.000 0.893 149 N CB 0.296 38.803 38.487 0.033 0.000 0.975 149 N HN 0.284 nan 8.380 nan 0.000 0.451 150 E N 0.129 120.387 120.200 0.096 0.000 2.511 150 E HA 0.123 4.475 4.350 0.002 0.000 0.209 150 E C -0.376 176.274 176.600 0.084 0.000 0.986 150 E CA -0.101 56.346 56.400 0.078 0.000 0.974 150 E CB 1.053 30.782 29.700 0.049 0.000 1.030 150 E HN 0.403 nan 8.360 nan 0.000 0.490 151 V N -2.921 117.082 119.914 0.149 0.000 3.181 151 V HA 0.853 4.975 4.120 0.002 0.000 0.308 151 V C 0.108 176.393 176.094 0.318 0.000 1.214 151 V CA -1.363 61.056 62.300 0.199 0.000 1.053 151 V CB 1.217 33.132 31.823 0.152 0.000 1.069 151 V HN -0.061 nan 8.190 nan 0.000 0.441 152 A N 1.353 124.396 122.820 0.371 0.000 2.448 152 A HA 0.624 4.946 4.320 0.002 0.000 0.239 152 A C -2.349 175.423 177.584 0.313 0.000 1.080 152 A CA -0.820 51.368 52.037 0.252 0.000 0.779 152 A CB -0.822 18.239 19.000 0.102 0.000 1.026 152 A HN 0.797 nan 8.150 nan 0.000 0.499 153 P HA 0.247 nan 4.420 nan 0.000 0.268 153 P C -0.397 176.815 177.300 -0.146 0.000 1.204 153 P CA 0.792 63.768 63.100 -0.207 0.000 0.768 153 P CB 0.385 31.770 31.700 -0.524 0.000 0.842 154 H N 1.950 120.715 119.070 -0.507 0.000 3.081 154 H HA 0.099 4.656 4.556 0.002 0.000 0.322 154 H C 0.401 175.122 175.328 -1.011 0.000 1.266 154 H CA -0.531 54.881 56.048 -1.059 0.000 1.279 154 H CB 1.214 30.434 29.762 -0.902 0.000 1.954 154 H HN 0.171 nan 8.280 nan 0.000 0.530 155 I N 3.244 123.107 120.570 -1.178 0.000 2.264 155 I HA -0.192 3.980 4.170 0.002 0.000 0.248 155 I C 1.901 177.900 176.117 -0.197 0.000 1.111 155 I CA 1.400 62.422 61.300 -0.462 0.000 1.382 155 I CB -0.667 37.162 38.000 -0.284 0.000 1.060 155 I HN 0.588 nan 8.210 nan 0.000 0.418 156 F N 0.073 119.817 119.950 -0.343 0.000 2.161 156 F HA -0.293 4.235 4.527 0.002 0.000 0.300 156 F C 2.464 177.670 175.800 -0.991 0.000 1.089 156 F CA 0.519 57.926 58.000 -0.988 0.000 1.282 156 F CB -0.483 37.582 39.000 -1.559 0.000 1.010 156 F HN 0.196 nan 8.300 nan 0.000 0.485 157 A N 0.764 123.271 122.820 -0.522 0.000 1.855 157 A HA -0.160 4.162 4.320 0.002 0.000 0.215 157 A C 2.132 179.670 177.584 -0.077 0.000 1.191 157 A CA 1.222 53.185 52.037 -0.124 0.000 0.613 157 A CB -0.942 18.135 19.000 0.128 0.000 0.829 157 A HN 0.322 nan 8.150 nan 0.000 0.442 158 I N 0.437 120.963 120.570 -0.073 0.000 2.163 158 I HA -0.263 3.908 4.170 0.002 0.000 0.243 158 I C 2.659 178.670 176.117 -0.176 0.000 1.085 158 I CA 1.883 63.141 61.300 -0.071 0.000 1.347 158 I CB -0.572 37.423 38.000 -0.009 0.000 1.044 158 I HN 0.321 nan 8.210 nan 0.000 0.408 159 S N 0.233 115.817 115.700 -0.193 0.000 2.370 159 S HA -0.268 4.204 4.470 0.002 0.000 0.226 159 S C 1.607 176.170 174.600 -0.062 0.000 1.033 159 S CA 1.878 59.988 58.200 -0.150 0.000 1.011 159 S CB -0.489 62.627 63.200 -0.141 0.000 0.852 159 S HN 0.491 nan 8.310 nan 0.000 0.457 160 D N 1.017 121.347 120.400 -0.117 0.000 2.097 160 D HA -0.092 4.550 4.640 0.002 0.000 0.195 160 D C 1.815 178.177 176.300 0.104 0.000 0.989 160 D CA 1.011 55.106 54.000 0.160 0.000 0.827 160 D CB -0.183 40.740 40.800 0.206 0.000 0.966 160 D HN 0.126 nan 8.370 nan 0.000 0.456 161 V N 0.451 120.367 119.914 0.003 0.000 2.392 161 V HA -0.264 3.857 4.120 0.002 0.000 0.249 161 V C 2.333 178.373 176.094 -0.090 0.000 1.059 161 V CA 1.848 64.132 62.300 -0.027 0.000 1.051 161 V CB -0.704 31.098 31.823 -0.035 0.000 0.658 161 V HN 0.360 nan 8.190 nan 0.000 0.455 162 A N -1.156 121.538 122.820 -0.210 0.000 1.872 162 A HA -0.214 4.108 4.320 0.002 0.000 0.214 162 A C 2.144 179.693 177.584 -0.058 0.000 1.187 162 A CA 1.714 53.608 52.037 -0.239 0.000 0.614 162 A CB -0.774 17.999 19.000 -0.380 0.000 0.826 162 A HN 0.584 nan 8.150 nan 0.000 0.442 163 Y N 0.787 121.004 120.300 -0.140 0.000 2.165 163 Y HA -0.222 4.330 4.550 0.003 0.000 0.286 163 Y C 2.377 178.160 175.900 -0.194 0.000 1.155 163 Y CA 2.041 60.025 58.100 -0.193 0.000 1.164 163 Y CB -0.124 38.281 38.460 -0.092 0.000 0.978 163 Y HN 0.160 nan 8.280 nan 0.000 0.513 164 R N -0.220 120.210 120.500 -0.117 0.000 2.115 164 R HA -0.084 4.258 4.340 0.002 0.000 0.230 164 R C 2.500 178.670 176.300 -0.218 0.000 1.111 164 R CA 1.215 57.202 56.100 -0.189 0.000 0.976 164 R CB -1.253 29.017 30.300 -0.049 0.000 0.870 164 R HN 0.288 nan 8.270 nan 0.000 0.445 165 S N 0.991 116.601 115.700 -0.151 0.000 2.383 165 S HA -0.056 4.415 4.470 0.002 0.000 0.227 165 S C 1.803 176.275 174.600 -0.212 0.000 1.026 165 S CA 1.105 59.233 58.200 -0.120 0.000 0.981 165 S CB -0.097 63.099 63.200 -0.006 0.000 0.818 165 S HN 0.310 nan 8.310 nan 0.000 0.472 166 M N 1.154 120.580 119.600 -0.292 0.000 2.067 166 M HA -0.093 4.388 4.480 0.002 0.000 0.260 166 M C 1.739 177.703 176.300 -0.559 0.000 1.069 166 M CA 1.598 56.649 55.300 -0.415 0.000 1.117 166 M CB -0.313 31.998 32.600 -0.482 0.000 1.334 166 M HN 0.259 nan 8.290 nan 0.000 0.407 167 L N 0.040 120.904 121.223 -0.598 0.000 2.083 167 L HA -0.240 4.101 4.340 0.002 0.000 0.209 167 L C 1.938 178.577 176.870 -0.385 0.000 1.083 167 L CA 1.177 55.686 54.840 -0.552 0.000 0.752 167 L CB -0.963 40.759 42.059 -0.560 0.000 0.899 167 L HN 0.327 nan 8.230 nan 0.000 0.433 168 D N -0.405 119.814 120.400 -0.301 0.000 2.162 168 D HA -0.111 4.530 4.640 0.002 0.000 0.203 168 D C 1.424 177.618 176.300 -0.177 0.000 0.967 168 D CA 1.047 54.927 54.000 -0.200 0.000 0.840 168 D CB -0.060 40.658 40.800 -0.138 0.000 0.972 168 D HN 0.342 nan 8.370 nan 0.000 0.482 169 D N 0.140 120.423 120.400 -0.195 0.000 2.407 169 D HA 0.028 4.669 4.640 0.002 0.000 0.208 169 D C 0.124 176.320 176.300 -0.173 0.000 1.083 169 D CA 0.010 53.924 54.000 -0.144 0.000 0.844 169 D CB 0.617 41.358 40.800 -0.098 0.000 0.967 169 D HN 0.013 nan 8.370 nan 0.000 0.506 170 R N 0.945 121.253 120.500 -0.320 0.000 3.336 170 R HA -0.220 4.122 4.340 0.002 0.000 0.260 170 R C -0.042 176.160 176.300 -0.163 0.000 1.032 170 R CA 0.417 56.249 56.100 -0.446 0.000 0.693 170 R CB -3.115 27.061 30.300 -0.207 0.000 1.134 170 R HN 0.411 nan 8.270 nan 0.000 0.433 171 Q N 0.642 120.324 119.800 -0.196 0.000 2.347 171 Q HA 0.366 4.708 4.340 0.002 0.000 0.271 171 Q C -0.689 175.251 176.000 -0.100 0.000 1.064 171 Q CA -0.828 54.943 55.803 -0.053 0.000 0.800 171 Q CB 1.585 30.286 28.738 -0.062 0.000 1.304 171 Q HN 0.149 nan 8.270 nan 0.000 0.438 172 N N 2.431 121.066 118.700 -0.107 0.000 2.415 172 N HA 0.117 4.859 4.740 0.002 0.000 0.248 172 N C -0.708 174.635 175.510 -0.279 0.000 1.271 172 N CA 0.369 53.186 53.050 -0.388 0.000 0.913 172 N CB 0.705 38.676 38.487 -0.859 0.000 1.129 172 N HN 0.527 nan 8.380 nan 0.000 0.444 173 Q N -0.338 119.302 119.800 -0.268 0.000 2.528 173 Q HA 0.603 4.944 4.340 0.002 0.000 0.289 173 Q C -0.816 175.268 176.000 0.140 0.000 1.091 173 Q CA -0.856 54.944 55.803 -0.005 0.000 0.797 173 Q CB 1.984 30.793 28.738 0.117 0.000 1.466 173 Q HN 0.710 nan 8.270 nan 0.000 0.436 174 S N -0.076 115.748 115.700 0.207 0.000 2.564 174 S HA 0.765 5.237 4.470 0.002 0.000 0.274 174 S C -1.255 173.479 174.600 0.222 0.000 1.124 174 S CA -0.742 57.610 58.200 0.254 0.000 0.869 174 S CB 1.154 64.513 63.200 0.265 0.000 1.105 174 S HN 0.344 nan 8.310 nan 0.000 0.472 175 L N 1.980 123.311 121.223 0.180 0.000 2.342 175 L HA 0.546 4.888 4.340 0.002 0.000 0.276 175 L C -1.327 175.604 176.870 0.102 0.000 0.997 175 L CA -0.317 54.596 54.840 0.122 0.000 0.838 175 L CB 1.409 43.534 42.059 0.110 0.000 1.224 175 L HN 0.652 nan 8.230 nan 0.000 0.416 176 L N 5.349 126.597 121.223 0.042 0.000 2.265 176 L HA 0.481 4.823 4.340 0.002 0.000 0.289 176 L C -0.291 176.676 176.870 0.162 0.000 1.033 176 L CA 0.149 55.059 54.840 0.117 0.000 0.814 176 L CB 0.946 43.095 42.059 0.150 0.000 1.203 176 L HN 0.402 nan 8.230 nan 0.000 0.423 177 I N 3.390 124.038 120.570 0.131 0.000 2.371 177 I HA 0.387 4.559 4.170 0.002 0.000 0.282 177 I C 0.205 176.370 176.117 0.080 0.000 1.031 177 I CA -0.254 61.112 61.300 0.110 0.000 1.180 177 I CB 0.906 38.958 38.000 0.086 0.000 1.336 177 I HN 0.624 nan 8.210 nan 0.000 0.467 178 T N 1.708 116.309 114.554 0.078 0.000 2.926 178 T HA 0.981 5.333 4.350 0.002 0.000 0.289 178 T C -0.062 174.650 174.700 0.019 0.000 1.054 178 T CA -0.733 61.389 62.100 0.037 0.000 1.015 178 T CB 2.540 71.421 68.868 0.023 0.000 1.167 178 T HN 0.898 nan 8.240 nan 0.000 0.526 179 G N 0.112 108.917 108.800 0.008 0.000 2.369 179 G HA2 0.279 4.240 3.960 0.002 0.000 0.307 179 G HA3 0.279 4.240 3.960 0.002 0.000 0.307 179 G C -1.297 173.621 174.900 0.030 0.000 1.327 179 G CA -0.995 44.112 45.100 0.012 0.000 0.963 179 G HN 0.886 nan 8.290 nan 0.000 0.590 180 E N -0.151 120.075 120.200 0.043 0.000 2.409 180 E HA 0.358 4.710 4.350 0.002 0.000 0.257 180 E C 0.660 177.299 176.600 0.065 0.000 1.150 180 E CA 0.172 56.617 56.400 0.075 0.000 0.942 180 E CB 0.834 30.581 29.700 0.077 0.000 0.979 180 E HN 0.504 nan 8.360 nan 0.000 0.447 181 S N -0.009 115.742 115.700 0.085 0.000 2.537 181 S HA 0.239 4.710 4.470 0.002 0.000 0.286 181 S C 1.020 175.665 174.600 0.074 0.000 1.299 181 S CA 0.715 58.956 58.200 0.068 0.000 1.067 181 S CB -0.108 63.130 63.200 0.063 0.000 0.864 181 S HN 0.761 nan 8.310 nan 0.000 0.494 182 G N 3.200 112.045 108.800 0.075 0.000 2.179 182 G HA2 -0.253 3.709 3.960 0.002 0.000 0.260 182 G HA3 -0.253 3.709 3.960 0.002 0.000 0.260 182 G C 0.900 175.832 174.900 0.055 0.000 0.977 182 G CA 0.364 45.537 45.100 0.122 0.000 0.641 182 G HN 1.414 nan 8.290 nan 0.000 0.533 183 A N -0.211 122.612 122.820 0.005 0.000 2.066 183 A HA 0.498 4.820 4.320 0.002 0.000 0.218 183 A C 2.571 180.088 177.584 -0.112 0.000 1.157 183 A CA 2.207 54.207 52.037 -0.061 0.000 0.670 183 A CB -0.400 18.580 19.000 -0.033 0.000 0.804 183 A HN 2.518 nan 8.150 nan 0.000 0.453 184 G N -1.109 107.644 108.800 -0.078 0.000 2.145 184 G HA2 -0.185 3.776 3.960 0.002 0.000 0.176 184 G HA3 -0.185 3.776 3.960 0.002 0.000 0.176 184 G C 0.684 175.559 174.900 -0.041 0.000 1.013 184 G CA 0.491 45.542 45.100 -0.081 0.000 0.689 184 G HN 0.443 nan 8.290 nan 0.000 0.506 185 K N -0.501 119.888 120.400 -0.018 0.000 2.025 185 K HA -0.034 4.288 4.320 0.002 0.000 0.207 185 K C 2.559 179.158 176.600 -0.002 0.000 1.049 185 K CA 1.793 58.080 56.287 0.000 0.000 0.933 185 K CB -0.195 32.307 32.500 0.004 0.000 0.714 185 K HN 0.309 nan 8.250 nan 0.000 0.438 186 T N 1.314 115.862 114.554 -0.010 0.000 2.821 186 T HA -0.086 4.266 4.350 0.002 0.000 0.267 186 T C 1.590 176.283 174.700 -0.012 0.000 1.046 186 T CA 1.009 63.105 62.100 -0.007 0.000 1.139 186 T CB -0.050 68.816 68.868 -0.003 0.000 0.871 186 T HN 0.149 nan 8.240 nan 0.000 0.454 187 E N 1.692 121.872 120.200 -0.034 0.000 2.038 187 E HA -0.087 4.264 4.350 0.002 0.000 0.195 187 E C 2.274 178.816 176.600 -0.097 0.000 1.000 187 E CA 0.919 57.271 56.400 -0.079 0.000 0.803 187 E CB -0.540 29.094 29.700 -0.111 0.000 0.750 187 E HN 0.435 nan 8.360 nan 0.000 0.448 188 N N 0.102 118.766 118.700 -0.060 0.000 2.223 188 N HA -0.096 4.646 4.740 0.002 0.000 0.185 188 N C 1.773 177.290 175.510 0.012 0.000 1.016 188 N CA 1.332 54.369 53.050 -0.022 0.000 0.863 188 N CB -0.208 38.299 38.487 0.033 0.000 0.983 188 N HN 0.158 nan 8.380 nan 0.000 0.429 189 T N 1.464 116.028 114.554 0.016 0.000 2.746 189 T HA -0.078 4.273 4.350 0.002 0.000 0.267 189 T C 1.866 176.590 174.700 0.040 0.000 1.039 189 T CA 1.131 63.251 62.100 0.034 0.000 1.142 189 T CB 0.006 68.891 68.868 0.029 0.000 0.866 189 T HN 0.285 nan 8.240 nan 0.000 0.444 190 K N 0.482 120.895 120.400 0.023 0.000 2.211 190 K HA 0.011 4.332 4.320 0.002 0.000 0.203 190 K C 2.336 178.973 176.600 0.062 0.000 1.050 190 K CA 0.678 56.984 56.287 0.031 0.000 0.945 190 K CB 0.090 32.594 32.500 0.007 0.000 0.732 190 K HN 0.072 nan 8.250 nan 0.000 0.451 191 K N 0.581 121.014 120.400 0.056 0.000 2.103 191 K HA -0.030 4.292 4.320 0.002 0.000 0.204 191 K C 2.090 178.882 176.600 0.320 0.000 1.052 191 K CA 0.710 57.116 56.287 0.198 0.000 0.945 191 K CB -0.373 32.183 32.500 0.093 0.000 0.722 191 K HN -0.035 nan 8.250 nan 0.000 0.443 192 V N 1.914 121.947 119.914 0.197 0.000 2.295 192 V HA -0.217 3.904 4.120 0.002 0.000 0.246 192 V C 2.323 178.523 176.094 0.176 0.000 1.049 192 V CA 1.560 63.968 62.300 0.180 0.000 1.024 192 V CB -0.375 31.515 31.823 0.111 0.000 0.648 192 V HN 0.182 nan 8.190 nan 0.000 0.447 193 I N -0.417 120.228 120.570 0.125 0.000 2.394 193 I HA -0.257 3.914 4.170 0.002 0.000 0.251 193 I C 2.612 178.777 176.117 0.080 0.000 1.136 193 I CA 1.502 62.854 61.300 0.087 0.000 1.425 193 I CB -0.377 37.654 38.000 0.050 0.000 1.079 193 I HN 0.414 nan 8.210 nan 0.000 0.425 194 Q N 0.679 120.548 119.800 0.113 0.000 2.020 194 Q HA -0.289 4.052 4.340 0.002 0.000 0.202 194 Q C 2.392 178.413 176.000 0.036 0.000 0.982 194 Q CA 2.052 57.911 55.803 0.094 0.000 0.838 194 Q CB -0.318 28.530 28.738 0.183 0.000 0.899 194 Q HN 0.516 nan 8.270 nan 0.000 0.423 195 Y N 0.882 121.131 120.300 -0.083 0.000 2.145 195 Y HA -0.232 4.319 4.550 0.002 0.000 0.286 195 Y C 1.962 177.749 175.900 -0.187 0.000 1.145 195 Y CA 1.759 59.700 58.100 -0.264 0.000 1.148 195 Y CB -0.203 38.066 38.460 -0.319 0.000 0.981 195 Y HN 0.124 nan 8.280 nan 0.000 0.507 196 L N -0.621 120.626 121.223 0.041 0.000 2.046 196 L HA -0.248 4.093 4.340 0.002 0.000 0.208 196 L C 2.766 179.576 176.870 -0.099 0.000 1.077 196 L CA 1.181 56.007 54.840 -0.022 0.000 0.747 196 L CB -0.996 41.168 42.059 0.176 0.000 0.896 196 L HN 0.322 nan 8.230 nan 0.000 0.432 197 A N -0.852 121.926 122.820 -0.070 0.000 1.940 197 A HA -0.252 4.069 4.320 0.002 0.000 0.219 197 A C 2.544 180.057 177.584 -0.117 0.000 1.176 197 A CA 2.238 54.232 52.037 -0.072 0.000 0.631 197 A CB -0.593 18.377 19.000 -0.050 0.000 0.814 197 A HN 0.442 nan 8.150 nan 0.000 0.446 198 S N -0.407 115.172 115.700 -0.202 0.000 2.356 198 S HA -0.095 4.376 4.470 0.002 0.000 0.219 198 S C 1.976 176.400 174.600 -0.294 0.000 1.036 198 S CA 1.589 59.645 58.200 -0.240 0.000 0.965 198 S CB -0.793 62.236 63.200 -0.285 0.000 0.864 198 S HN 1.011 nan 8.310 nan 0.000 0.471 199 V N -0.615 119.004 119.914 -0.492 0.000 3.141 199 V HA 0.462 4.584 4.120 0.002 0.000 0.265 199 V C 1.561 177.485 176.094 -0.283 0.000 1.126 199 V CA 1.389 63.405 62.300 -0.475 0.000 1.141 199 V CB -0.604 30.787 31.823 -0.721 0.000 0.743 199 V HN 0.594 nan 8.190 nan 0.000 0.492 200 A N -0.416 122.302 122.820 -0.169 0.000 2.653 200 A HA 0.691 5.012 4.320 0.002 0.000 0.248 200 A C 1.155 178.890 177.584 0.251 0.000 1.211 200 A CA 0.386 52.504 52.037 0.135 0.000 0.991 200 A CB -0.256 18.852 19.000 0.181 0.000 1.252 200 A HN 0.739 nan 8.150 nan 0.000 0.593 201 G N -0.277 108.560 108.800 0.062 0.000 2.599 201 G HA2 0.439 4.400 3.960 0.002 0.000 0.264 201 G HA3 0.439 4.400 3.960 0.002 0.000 0.264 201 G C -0.046 174.812 174.900 -0.069 0.000 1.200 201 G CA -0.667 44.439 45.100 0.011 0.000 0.896 201 G HN 0.299 nan 8.290 nan 0.000 0.536 202 R N 1.267 121.675 120.500 -0.153 0.000 3.956 202 R HA 0.245 4.587 4.340 0.002 0.000 0.237 202 R C 1.310 177.503 176.300 -0.179 0.000 1.552 202 R CA 0.450 56.381 56.100 -0.282 0.000 1.529 202 R CB -0.946 29.134 30.300 -0.367 0.000 1.376 202 R HN 0.851 nan 8.270 nan 0.000 0.733 210 V N 0.985 120.872 119.914 -0.045 0.000 2.216 210 V HA -0.115 4.006 4.120 0.002 0.000 0.242 210 V C 2.788 178.855 176.094 -0.046 0.000 1.042 210 V CA 1.887 64.162 62.300 -0.042 0.000 0.991 210 V CB -0.953 30.844 31.823 -0.043 0.000 0.633 210 V HN 0.634 nan 8.190 nan 0.000 0.449 211 L N 0.070 121.261 121.223 -0.053 0.000 2.021 211 L HA -0.298 4.043 4.340 0.002 0.000 0.215 211 L C 2.647 179.481 176.870 -0.059 0.000 1.074 211 L CA 2.495 57.299 54.840 -0.060 0.000 0.760 211 L CB -0.558 41.464 42.059 -0.061 0.000 0.889 211 L HN 0.461 nan 8.230 nan 0.000 0.433 212 E N -0.584 119.582 120.200 -0.056 0.000 2.110 212 E HA -0.229 4.123 4.350 0.002 0.000 0.193 212 E C 2.202 178.778 176.600 -0.040 0.000 0.988 212 E CA 0.885 57.254 56.400 -0.052 0.000 0.804 212 E CB -0.096 29.573 29.700 -0.052 0.000 0.745 212 E HN 0.421 nan 8.360 nan 0.000 0.458 213 Q N 0.340 120.120 119.800 -0.034 0.000 2.119 213 Q HA -0.113 4.229 4.340 0.002 0.000 0.201 213 Q C 2.029 178.017 176.000 -0.020 0.000 0.972 213 Q CA 1.337 57.127 55.803 -0.022 0.000 0.847 213 Q CB -0.028 28.698 28.738 -0.020 0.000 0.903 213 Q HN 0.487 nan 8.270 nan 0.000 0.433 214 Q N -0.245 119.536 119.800 -0.031 0.000 2.083 214 Q HA -0.045 4.296 4.340 0.002 0.000 0.198 214 Q C 2.236 178.215 176.000 -0.035 0.000 0.969 214 Q CA 0.793 56.577 55.803 -0.033 0.000 0.838 214 Q CB -0.027 28.680 28.738 -0.051 0.000 0.900 214 Q HN 0.341 nan 8.270 nan 0.000 0.436 215 I N 0.887 121.429 120.570 -0.046 0.000 2.151 215 I HA -0.329 3.843 4.170 0.002 0.000 0.243 215 I C 2.115 178.218 176.117 -0.024 0.000 1.080 215 I CA 1.355 62.625 61.300 -0.049 0.000 1.339 215 I CB -0.246 37.715 38.000 -0.064 0.000 1.039 215 I HN 0.220 nan 8.210 nan 0.000 0.409 216 L N -0.337 120.878 121.223 -0.015 0.000 2.201 216 L HA -0.177 4.165 4.340 0.002 0.000 0.212 216 L C 2.383 179.264 176.870 0.018 0.000 1.105 216 L CA 0.804 55.647 54.840 0.004 0.000 0.775 216 L CB -0.534 41.529 42.059 0.006 0.000 0.913 216 L HN 0.307 nan 8.230 nan 0.000 0.440 217 Q N -0.218 119.591 119.800 0.014 0.000 2.424 217 Q HA 0.087 4.428 4.340 0.002 0.000 0.204 217 Q C 2.361 178.384 176.000 0.039 0.000 0.933 217 Q CA 0.957 56.778 55.803 0.030 0.000 0.929 217 Q CB 0.031 28.784 28.738 0.026 0.000 1.037 217 Q HN 0.469 nan 8.270 nan 0.000 0.511 218 A N 2.137 124.971 122.820 0.023 0.000 1.940 218 A HA -0.242 4.080 4.320 0.002 0.000 0.219 218 A C 2.004 179.613 177.584 0.042 0.000 1.176 218 A CA 1.673 53.721 52.037 0.019 0.000 0.631 218 A CB -0.719 18.272 19.000 -0.015 0.000 0.814 218 A HN 0.485 nan 8.150 nan 0.000 0.446 219 N N 0.470 119.207 118.700 0.062 0.000 2.002 219 N HA -0.175 4.566 4.740 0.002 0.000 0.199 219 N C -0.855 174.743 175.510 0.147 0.000 1.060 219 N CA 2.341 55.456 53.050 0.108 0.000 0.867 219 N CB -1.207 37.336 38.487 0.094 0.000 1.069 219 N HN 0.243 nan 8.380 nan 0.000 0.430 220 P HA -0.133 nan 4.420 nan 0.000 0.218 220 P C 1.773 179.187 177.300 0.190 0.000 1.146 220 P CA 1.196 64.388 63.100 0.152 0.000 0.820 220 P CB -0.231 31.537 31.700 0.113 0.000 0.778 221 I N -1.116 119.542 120.570 0.146 0.000 2.163 221 I HA -0.193 3.978 4.170 0.002 0.000 0.240 221 I C 2.503 178.743 176.117 0.204 0.000 1.081 221 I CA 1.318 62.703 61.300 0.141 0.000 1.353 221 I CB -0.693 37.310 38.000 0.006 0.000 1.054 221 I HN -0.112 nan 8.210 nan 0.000 0.407 222 L N 0.301 121.599 121.223 0.125 0.000 2.201 222 L HA -0.162 4.179 4.340 0.002 0.000 0.212 222 L C 2.377 179.502 176.870 0.426 0.000 1.105 222 L CA 1.203 56.124 54.840 0.135 0.000 0.775 222 L CB -0.539 41.586 42.059 0.109 0.000 0.913 222 L HN 0.304 nan 8.230 nan 0.000 0.440 223 E N 0.173 120.623 120.200 0.416 0.000 2.208 223 E HA -0.132 4.220 4.350 0.002 0.000 0.193 223 E C 2.262 179.152 176.600 0.483 0.000 0.988 223 E CA 0.909 57.590 56.400 0.468 0.000 0.828 223 E CB 0.033 29.950 29.700 0.361 0.000 0.763 223 E HN 0.481 nan 8.360 nan 0.000 0.478 224 A N 0.330 123.410 122.820 0.434 0.000 1.968 224 A HA -0.085 4.237 4.320 0.002 0.000 0.217 224 A C 1.622 179.330 177.584 0.207 0.000 1.169 224 A CA 0.896 53.143 52.037 0.349 0.000 0.638 224 A CB -0.314 18.841 19.000 0.258 0.000 0.812 224 A HN 0.138 nan 8.150 nan 0.000 0.446 225 F N -0.842 119.253 119.950 0.243 0.000 2.619 225 F HA 0.232 4.760 4.527 0.002 0.000 0.293 225 F C 2.244 178.121 175.800 0.127 0.000 1.119 225 F CA 0.782 58.898 58.000 0.193 0.000 1.445 225 F CB 0.080 39.127 39.000 0.080 0.000 1.119 225 F HN 0.276 nan 8.300 nan 0.000 0.573 226 G N -1.266 107.816 108.800 0.471 0.000 3.192 226 G HA2 0.115 4.076 3.960 0.002 0.000 0.239 226 G HA3 0.115 4.076 3.960 0.002 0.000 0.239 226 G C -0.038 175.301 174.900 0.731 0.000 1.084 226 G CA -0.073 45.241 45.100 0.357 0.000 0.784 226 G HN 0.069 nan 8.290 nan 0.000 0.540 227 N N 0.075 119.092 118.700 0.529 0.000 2.362 227 N HA 0.824 5.566 4.740 0.002 0.000 0.299 227 N C -0.453 174.857 175.510 -0.334 0.000 1.170 227 N CA -0.050 53.131 53.050 0.219 0.000 0.825 227 N CB 2.228 40.869 38.487 0.257 0.000 1.299 227 N HN 0.229 nan 8.380 nan 0.000 0.502 228 A N -0.101 122.525 122.820 -0.324 0.000 2.586 228 A HA 0.465 4.786 4.320 0.002 0.000 0.290 228 A C -1.388 176.177 177.584 -0.033 0.000 1.086 228 A CA -0.780 51.032 52.037 -0.374 0.000 0.665 228 A CB 1.029 19.799 19.000 -0.384 0.000 1.279 228 A HN 0.509 nan 8.150 nan 0.000 0.423 229 K N 1.161 121.582 120.400 0.036 0.000 2.312 229 K HA 0.488 4.809 4.320 0.002 0.000 0.287 229 K C 0.040 176.608 176.600 -0.052 0.000 1.062 229 K CA 0.698 56.999 56.287 0.022 0.000 0.934 229 K CB 0.355 32.846 32.500 -0.015 0.000 1.027 229 K HN 0.957 nan 8.250 nan 0.000 0.478 230 T N -0.504 114.025 114.554 -0.043 0.000 2.858 230 T HA 0.153 4.504 4.350 0.002 0.000 0.285 230 T C 1.371 176.031 174.700 -0.065 0.000 1.052 230 T CA -0.185 61.874 62.100 -0.069 0.000 1.009 230 T CB 1.150 69.978 68.868 -0.066 0.000 1.241 230 T HN 0.585 nan 8.240 nan 0.000 0.542 231 T N -1.055 113.451 114.554 -0.080 0.000 2.962 231 T HA -0.026 4.326 4.350 0.002 0.000 0.270 231 T C 1.529 176.187 174.700 -0.070 0.000 1.088 231 T CA 0.619 62.672 62.100 -0.079 0.000 1.127 231 T CB -0.379 68.437 68.868 -0.086 0.000 0.883 231 T HN 0.687 nan 8.240 nan 0.000 0.493 232 R N 0.746 121.211 120.500 -0.059 0.000 2.312 232 R HA 0.365 4.706 4.340 0.002 0.000 0.205 232 R C 0.057 176.363 176.300 0.011 0.000 0.904 232 R CA -0.033 56.048 56.100 -0.032 0.000 1.052 232 R CB 0.175 30.456 30.300 -0.031 0.000 1.014 232 R HN 0.300 nan 8.270 nan 0.000 0.503 233 N N -0.125 118.580 118.700 0.009 0.000 2.666 233 N HA 0.073 4.815 4.740 0.002 0.000 0.260 233 N C -0.878 174.656 175.510 0.040 0.000 1.077 233 N CA -0.390 52.686 53.050 0.044 0.000 1.026 233 N CB 0.879 39.408 38.487 0.070 0.000 1.653 233 N HN -0.109 nan 8.380 nan 0.000 0.533 234 N N 1.497 120.224 118.700 0.046 0.000 2.364 234 N HA -0.130 4.611 4.740 0.002 0.000 0.183 234 N C -0.261 175.324 175.510 0.125 0.000 1.022 234 N CA 0.647 53.726 53.050 0.049 0.000 0.883 234 N CB 0.050 38.547 38.487 0.017 0.000 0.965 234 N HN 0.434 nan 8.380 nan 0.000 0.438 235 N N 0.219 119.001 118.700 0.137 0.000 2.679 235 N HA 0.047 4.788 4.740 0.002 0.000 0.302 235 N C -1.495 174.118 175.510 0.170 0.000 1.941 235 N CA -0.198 52.992 53.050 0.233 0.000 0.875 235 N CB 0.662 39.264 38.487 0.193 0.000 1.278 235 N HN -0.179 nan 8.380 nan 0.000 0.490 236 S N 0.199 115.969 115.700 0.117 0.000 2.531 236 S HA 0.232 4.703 4.470 0.002 0.000 0.279 236 S C -0.063 174.583 174.600 0.078 0.000 1.305 236 S CA -0.261 57.982 58.200 0.071 0.000 1.058 236 S CB 0.183 63.405 63.200 0.037 0.000 0.899 236 S HN 0.404 nan 8.310 nan 0.000 0.493 237 S N 5.263 120.981 115.700 0.030 0.000 2.474 237 S HA 0.293 4.765 4.470 0.002 0.000 0.276 237 S C 0.682 175.300 174.600 0.029 0.000 1.227 237 S CA -0.713 57.464 58.200 -0.039 0.000 1.050 237 S CB 0.571 63.617 63.200 -0.256 0.000 0.939 237 S HN 0.611 nan 8.310 nan 0.000 0.490 238 R N 2.389 123.028 120.500 0.232 0.000 2.568 238 R HA 0.235 4.576 4.340 0.002 0.000 0.288 238 R C -0.625 175.898 176.300 0.371 0.000 1.077 238 R CA 0.037 56.310 56.100 0.288 0.000 1.102 238 R CB -0.747 29.799 30.300 0.410 0.000 1.278 238 R HN 0.713 nan 8.270 nan 0.000 0.560 239 F N -3.902 116.120 119.950 0.120 0.000 2.654 239 F HA 0.681 5.209 4.527 0.003 0.000 0.308 239 F C -0.188 175.713 175.800 0.169 0.000 1.108 239 F CA -1.561 56.505 58.000 0.109 0.000 0.957 239 F CB 0.732 39.751 39.000 0.032 0.000 1.309 239 F HN -0.125 nan 8.300 nan 0.000 0.446 240 G N 1.361 110.322 108.800 0.269 0.000 2.451 240 G HA2 0.629 4.590 3.960 0.002 0.000 0.303 240 G HA3 0.629 4.590 3.960 0.002 0.000 0.303 240 G C -1.699 173.455 174.900 0.423 0.000 1.166 240 G CA -0.929 44.297 45.100 0.209 0.000 0.884 240 G HN 1.057 nan 8.290 nan 0.000 0.514 241 K N -0.417 120.184 120.400 0.335 0.000 2.551 241 K HA 0.545 4.866 4.320 0.002 0.000 0.269 241 K C -2.310 174.538 176.600 0.413 0.000 0.949 241 K CA -0.980 55.547 56.287 0.400 0.000 0.849 241 K CB 2.086 34.796 32.500 0.350 0.000 1.411 241 K HN 0.401 nan 8.250 nan 0.000 0.432 242 F N 3.804 123.896 119.950 0.236 0.000 2.445 242 F HA 0.497 5.025 4.527 0.002 0.000 0.348 242 F C -1.133 174.712 175.800 0.074 0.000 1.125 242 F CA -0.863 57.234 58.000 0.162 0.000 0.983 242 F CB 0.978 40.099 39.000 0.202 0.000 1.198 242 F HN 0.399 nan 8.300 nan 0.000 0.436 243 I N 5.354 125.673 120.570 -0.418 0.000 2.321 243 I HA 0.229 4.401 4.170 0.002 0.000 0.291 243 I C -0.365 175.421 176.117 -0.551 0.000 0.998 243 I CA -0.520 60.575 61.300 -0.342 0.000 1.227 243 I CB 1.658 39.568 38.000 -0.150 0.000 1.368 243 I HN 0.582 nan 8.210 nan 0.000 0.466 244 E N 6.846 126.793 120.200 -0.422 0.000 2.115 244 E HA 0.309 4.661 4.350 0.002 0.000 0.282 244 E C -0.844 175.670 176.600 -0.144 0.000 0.987 244 E CA -0.772 55.422 56.400 -0.344 0.000 0.797 244 E CB 0.930 30.413 29.700 -0.361 0.000 1.086 244 E HN 0.363 nan 8.360 nan 0.000 0.397 245 I N 4.707 125.266 120.570 -0.019 0.000 2.312 245 I HA 0.102 4.274 4.170 0.002 0.000 0.291 245 I C 0.236 176.301 176.117 -0.088 0.000 1.031 245 I CA -0.147 61.101 61.300 -0.087 0.000 1.293 245 I CB 0.932 38.901 38.000 -0.051 0.000 1.403 245 I HN 0.538 nan 8.210 nan 0.000 0.484 246 Q N 5.714 125.382 119.800 -0.221 0.000 2.243 246 Q HA 0.574 4.916 4.340 0.002 0.000 0.252 246 Q C -1.334 174.497 176.000 -0.282 0.000 0.909 246 Q CA -0.207 55.555 55.803 -0.069 0.000 0.922 246 Q CB 1.570 30.298 28.738 -0.017 0.000 1.215 246 Q HN 0.355 nan 8.270 nan 0.000 0.427 247 F N 1.063 121.128 119.950 0.192 0.000 2.577 247 F HA 0.327 4.856 4.527 0.003 0.000 0.318 247 F C 0.319 176.222 175.800 0.172 0.000 1.065 247 F CA -1.279 56.834 58.000 0.188 0.000 0.929 247 F CB 1.127 40.251 39.000 0.206 0.000 1.237 247 F HN 0.553 nan 8.300 nan 0.000 0.468 248 N N -0.533 118.376 118.700 0.349 0.000 2.405 248 N HA 0.233 4.974 4.740 0.002 0.000 0.269 248 N C 0.399 176.048 175.510 0.233 0.000 1.249 248 N CA 0.009 53.200 53.050 0.235 0.000 0.974 248 N CB -0.438 38.165 38.487 0.194 0.000 1.204 248 N HN 0.672 nan 8.380 nan 0.000 0.565 249 N N -1.382 117.425 118.700 0.178 0.000 2.453 249 N HA 0.004 4.746 4.740 0.002 0.000 0.183 249 N C 1.512 177.041 175.510 0.032 0.000 1.041 249 N CA 1.115 54.276 53.050 0.184 0.000 0.900 249 N CB -0.648 37.929 38.487 0.150 0.000 0.961 249 N HN 0.791 nan 8.380 nan 0.000 0.443 250 A N -1.223 121.582 122.820 -0.025 0.000 2.218 250 A HA 0.518 4.839 4.320 0.002 0.000 0.209 250 A C 1.968 179.253 177.584 -0.498 0.000 1.168 250 A CA 1.101 53.008 52.037 -0.218 0.000 0.804 250 A CB -0.388 18.512 19.000 -0.167 0.000 0.834 250 A HN 1.609 nan 8.150 nan 0.000 0.482 251 G N -1.906 106.711 108.800 -0.306 0.000 2.134 251 G HA2 -0.208 3.753 3.960 0.002 0.000 0.209 251 G HA3 -0.208 3.753 3.960 0.002 0.000 0.209 251 G C -0.065 174.828 174.900 -0.013 0.000 0.993 251 G CA -0.100 44.846 45.100 -0.257 0.000 0.669 251 G HN 0.350 nan 8.290 nan 0.000 0.519 252 F N 0.481 120.635 119.950 0.340 0.000 2.399 252 F HA 0.577 5.105 4.527 0.003 0.000 0.334 252 F C 1.414 177.384 175.800 0.284 0.000 1.097 252 F CA -1.361 56.815 58.000 0.294 0.000 1.076 252 F CB 1.058 40.146 39.000 0.146 0.000 1.162 252 F HN -0.100 nan 8.300 nan 0.000 0.495 253 I N 2.414 123.184 120.570 0.333 0.000 2.742 253 I HA -0.093 4.078 4.170 0.002 0.000 0.287 253 I C 0.857 176.962 176.117 -0.020 0.000 1.186 253 I CA 0.593 61.841 61.300 -0.086 0.000 1.417 253 I CB 0.607 38.516 38.000 -0.151 0.000 1.377 253 I HN 0.737 nan 8.210 nan 0.000 0.556 254 S N 3.567 119.225 115.700 -0.070 0.000 2.578 254 S HA 0.459 4.930 4.470 0.002 0.000 0.228 254 S C 0.453 175.016 174.600 -0.061 0.000 1.022 254 S CA 0.058 58.252 58.200 -0.010 0.000 0.967 254 S CB 1.092 64.320 63.200 0.048 0.000 0.914 254 S HN 0.843 nan 8.310 nan 0.000 0.515 255 G N 0.048 108.775 108.800 -0.122 0.000 2.340 255 G HA2 0.679 4.640 3.960 0.002 0.000 0.299 255 G HA3 0.679 4.640 3.960 0.002 0.000 0.299 255 G C -1.865 172.950 174.900 -0.142 0.000 1.291 255 G CA -0.131 44.903 45.100 -0.110 0.000 0.841 255 G HN 1.060 nan 8.290 nan 0.000 0.500 256 A N -1.286 121.460 122.820 -0.123 0.000 2.597 256 A HA 0.912 5.233 4.320 0.002 0.000 0.292 256 A C -0.876 176.633 177.584 -0.125 0.000 1.057 256 A CA 0.278 52.238 52.037 -0.129 0.000 0.674 256 A CB 1.351 20.274 19.000 -0.129 0.000 1.278 256 A HN 1.824 nan 8.150 nan 0.000 0.416 257 S N 0.234 115.853 115.700 -0.136 0.000 2.540 257 S HA 0.752 5.224 4.470 0.002 0.000 0.275 257 S C -1.178 173.345 174.600 -0.128 0.000 1.123 257 S CA -0.531 57.589 58.200 -0.133 0.000 0.907 257 S CB 0.779 63.899 63.200 -0.133 0.000 1.081 257 S HN 0.624 nan 8.310 nan 0.000 0.476 258 I N 3.232 123.735 120.570 -0.112 0.000 2.465 258 I HA 0.460 4.632 4.170 0.002 0.000 0.291 258 I C -0.423 175.644 176.117 -0.084 0.000 1.014 258 I CA -0.738 60.513 61.300 -0.081 0.000 1.093 258 I CB 1.739 39.691 38.000 -0.079 0.000 1.267 258 I HN 0.578 nan 8.210 nan 0.000 0.431 259 Q N 4.652 124.424 119.800 -0.046 0.000 2.333 259 Q HA 0.461 4.803 4.340 0.002 0.000 0.268 259 Q C -0.725 175.097 176.000 -0.296 0.000 1.007 259 Q CA -0.391 55.300 55.803 -0.186 0.000 0.810 259 Q CB 1.703 30.344 28.738 -0.161 0.000 1.264 259 Q HN 0.792 nan 8.270 nan 0.000 0.452 260 S N 3.109 118.618 115.700 -0.319 0.000 2.549 260 S HA 0.763 5.234 4.470 0.002 0.000 0.297 260 S C -1.052 173.355 174.600 -0.322 0.000 1.115 260 S CA -0.451 57.699 58.200 -0.084 0.000 1.059 260 S CB 0.788 64.115 63.200 0.213 0.000 1.046 260 S HN 0.524 nan 8.310 nan 0.000 0.506 261 Y N 0.378 120.830 120.300 0.254 0.000 2.553 261 Y HA 0.573 5.125 4.550 0.003 0.000 0.347 261 Y C -0.105 175.919 175.900 0.206 0.000 1.019 261 Y CA -1.601 56.600 58.100 0.169 0.000 1.032 261 Y CB 1.135 39.656 38.460 0.101 0.000 1.284 261 Y HN 0.651 nan 8.280 nan 0.000 0.466 262 L N 1.951 123.385 121.223 0.353 0.000 3.854 262 L HA -0.219 4.122 4.340 0.002 0.000 0.460 262 L C -0.565 176.426 176.870 0.201 0.000 1.228 262 L CA 0.298 55.295 54.840 0.262 0.000 0.760 262 L CB -1.282 40.941 42.059 0.274 0.000 1.597 262 L HN 0.548 nan 8.230 nan 0.000 0.852 263 L N 0.678 121.980 121.223 0.131 0.000 2.455 263 L HA 0.144 4.486 4.340 0.002 0.000 0.272 263 L C 1.211 178.145 176.870 0.105 0.000 1.174 263 L CA 0.495 55.362 54.840 0.045 0.000 0.869 263 L CB 0.552 42.454 42.059 -0.262 0.000 1.130 263 L HN 0.392 nan 8.230 nan 0.000 0.474 264 E N 3.904 124.220 120.200 0.194 0.000 2.053 264 E HA -0.039 4.313 4.350 0.002 0.000 0.297 264 E C 0.507 177.255 176.600 0.247 0.000 1.173 264 E CA 0.085 56.615 56.400 0.217 0.000 1.219 264 E CB 0.113 29.942 29.700 0.214 0.000 1.103 264 E HN 0.694 nan 8.360 nan 0.000 0.476 265 K N 0.289 120.787 120.400 0.164 0.000 2.209 265 K HA -0.135 4.187 4.320 0.002 0.000 0.204 265 K C 1.943 178.607 176.600 0.108 0.000 1.048 265 K CA 1.361 57.738 56.287 0.150 0.000 0.940 265 K CB 0.054 32.622 32.500 0.114 0.000 0.729 265 K HN 0.320 nan 8.250 nan 0.000 0.451 266 S N 1.195 116.954 115.700 0.099 0.000 2.481 266 S HA -0.118 4.354 4.470 0.002 0.000 0.231 266 S C 1.917 176.549 174.600 0.053 0.000 0.996 266 S CA 0.614 58.855 58.200 0.068 0.000 0.942 266 S CB -0.150 63.099 63.200 0.082 0.000 0.768 266 S HN 0.280 nan 8.310 nan 0.000 0.520 267 R N 1.176 121.705 120.500 0.047 0.000 2.189 267 R HA 0.020 4.362 4.340 0.002 0.000 0.223 267 R C 1.611 177.803 176.300 -0.180 0.000 1.092 267 R CA 0.945 56.998 56.100 -0.078 0.000 0.989 267 R CB -0.445 29.699 30.300 -0.260 0.000 0.876 267 R HN 0.375 nan 8.270 nan 0.000 0.457 268 V N 0.663 120.491 119.914 -0.143 0.000 2.407 268 V HA -0.197 3.925 4.120 0.002 0.000 0.248 268 V C 2.149 177.849 176.094 -0.657 0.000 1.055 268 V CA 1.756 63.834 62.300 -0.370 0.000 1.049 268 V CB 0.101 31.711 31.823 -0.355 0.000 0.662 268 V HN 0.458 nan 8.190 nan 0.000 0.455 269 V N -4.237 115.387 119.914 -0.483 0.000 3.590 269 V HA 0.378 4.500 4.120 0.002 0.000 0.265 269 V C 0.228 176.289 176.094 -0.055 0.000 1.239 269 V CA 0.189 62.156 62.300 -0.556 0.000 1.117 269 V CB -0.097 31.570 31.823 -0.261 0.000 0.818 269 V HN 0.342 nan 8.190 nan 0.000 0.451 270 F N 0.868 120.708 119.950 -0.183 0.000 2.654 270 F HA 0.733 5.262 4.527 0.002 0.000 0.314 270 F C -1.666 174.080 175.800 -0.090 0.000 1.116 270 F CA -0.698 57.255 58.000 -0.080 0.000 1.017 270 F CB 1.745 40.725 39.000 -0.033 0.000 1.285 270 F HN 0.051 nan 8.300 nan 0.000 0.448 271 Q N 3.086 122.245 119.800 -1.069 0.000 2.372 271 Q HA 0.570 4.912 4.340 0.002 0.000 0.273 271 Q C -0.692 174.594 176.000 -1.190 0.000 1.078 271 Q CA -0.971 54.300 55.803 -0.888 0.000 0.806 271 Q CB 2.294 30.786 28.738 -0.410 0.000 1.332 271 Q HN 0.644 nan 8.270 nan 0.000 0.435 272 S N 0.875 116.161 115.700 -0.691 0.000 2.596 272 S HA 0.040 4.511 4.470 0.002 0.000 0.260 272 S C -0.098 174.363 174.600 -0.230 0.000 1.336 272 S CA -0.572 57.424 58.200 -0.339 0.000 0.993 272 S CB 0.390 63.550 63.200 -0.066 0.000 0.923 272 S HN 0.534 nan 8.310 nan 0.000 0.567 273 E N 0.755 120.882 120.200 -0.122 0.000 2.417 273 E HA 0.022 4.374 4.350 0.002 0.000 0.261 273 E C 0.675 177.222 176.600 -0.089 0.000 1.000 273 E CA 1.095 57.440 56.400 -0.091 0.000 0.919 273 E CB 0.173 29.844 29.700 -0.048 0.000 0.955 273 E HN 0.959 nan 8.360 nan 0.000 0.455 274 T N -0.212 114.288 114.554 -0.089 0.000 7.113 274 T HA -0.229 4.122 4.350 0.002 0.000 0.290 274 T C 0.304 174.945 174.700 -0.099 0.000 2.138 274 T CA 1.079 63.129 62.100 -0.084 0.000 3.555 274 T CB -1.294 67.530 68.868 -0.073 0.000 1.347 274 T HN 0.581 nan 8.240 nan 0.000 0.958 275 E N 1.428 121.556 120.200 -0.120 0.000 2.369 275 E HA 0.608 4.959 4.350 0.002 0.000 0.255 275 E C 0.467 176.991 176.600 -0.126 0.000 1.172 275 E CA -0.703 55.620 56.400 -0.129 0.000 0.932 275 E CB 0.702 30.309 29.700 -0.154 0.000 1.040 275 E HN 0.411 nan 8.360 nan 0.000 0.454 276 R N 0.703 121.132 120.500 -0.118 0.000 2.919 276 R HA 0.278 4.620 4.340 0.002 0.000 0.260 276 R C 0.163 176.448 176.300 -0.025 0.000 1.067 276 R CA -0.915 55.147 56.100 -0.063 0.000 1.003 276 R CB 1.061 31.236 30.300 -0.208 0.000 1.192 276 R HN 0.438 nan 8.270 nan 0.000 0.488 277 N N 0.248 119.053 118.700 0.175 0.000 2.290 277 N HA 0.013 4.755 4.740 0.002 0.000 0.269 277 N C -0.682 174.897 175.510 0.115 0.000 1.295 277 N CA 0.203 53.251 53.050 -0.004 0.000 0.932 277 N CB 0.171 38.562 38.487 -0.160 0.000 1.128 277 N HN 0.232 nan 8.380 nan 0.000 0.532 278 Y N 1.337 121.795 120.300 0.263 0.000 2.597 278 Y HA -0.043 4.508 4.550 0.002 0.000 0.336 278 Y C 1.970 178.047 175.900 0.295 0.000 1.216 278 Y CA 0.173 58.379 58.100 0.176 0.000 1.463 278 Y CB 0.171 38.726 38.460 0.158 0.000 1.303 278 Y HN 0.503 nan 8.280 nan 0.000 0.576 279 H N 1.922 121.222 119.070 0.383 0.000 2.330 279 H HA -0.268 4.290 4.556 0.002 0.000 0.290 279 H C 2.273 177.717 175.328 0.194 0.000 1.111 279 H CA 2.285 58.508 56.048 0.291 0.000 1.226 279 H CB -0.528 29.341 29.762 0.179 0.000 1.355 279 H HN 0.784 nan 8.280 nan 0.000 0.485 280 I N 0.537 121.139 120.570 0.053 0.000 2.236 280 I HA -0.295 3.877 4.170 0.002 0.000 0.249 280 I C 1.954 177.859 176.117 -0.352 0.000 1.102 280 I CA 1.133 62.255 61.300 -0.297 0.000 1.365 280 I CB -0.410 37.081 38.000 -0.848 0.000 1.051 280 I HN -0.036 nan 8.210 nan 0.000 0.420 281 F N -0.277 119.572 119.950 -0.168 0.000 2.126 281 F HA -0.247 4.282 4.527 0.002 0.000 0.299 281 F C 2.163 177.707 175.800 -0.428 0.000 1.096 281 F CA 1.932 59.697 58.000 -0.392 0.000 1.255 281 F CB -1.187 37.449 39.000 -0.607 0.000 0.997 281 F HN 0.116 nan 8.300 nan 0.000 0.479 282 Y N -0.395 119.948 120.300 0.071 0.000 2.314 282 Y HA -0.164 4.388 4.550 0.002 0.000 0.293 282 Y C 2.406 178.224 175.900 -0.136 0.000 1.129 282 Y CA 0.915 59.011 58.100 -0.006 0.000 1.201 282 Y CB -1.038 37.450 38.460 0.047 0.000 0.999 282 Y HN 0.117 nan 8.280 nan 0.000 0.541 283 Q N -0.406 119.359 119.800 -0.060 0.000 2.046 283 Q HA -0.159 4.182 4.340 0.002 0.000 0.200 283 Q C 2.200 177.614 176.000 -0.976 0.000 0.975 283 Q CA 1.296 56.922 55.803 -0.295 0.000 0.836 283 Q CB -0.369 28.315 28.738 -0.090 0.000 0.896 283 Q HN 0.387 nan 8.270 nan 0.000 0.428 284 L N 1.011 121.648 121.223 -0.977 0.000 1.970 284 L HA -0.195 4.147 4.340 0.002 0.000 0.212 284 L C 1.990 178.458 176.870 -0.669 0.000 1.071 284 L CA 1.748 55.893 54.840 -1.158 0.000 0.751 284 L CB -0.787 40.900 42.059 -0.619 0.000 0.889 284 L HN 0.227 nan 8.230 nan 0.000 0.432 285 L N -0.812 120.201 121.223 -0.350 0.000 2.042 285 L HA -0.199 4.143 4.340 0.002 0.000 0.210 285 L C 2.590 179.397 176.870 -0.105 0.000 1.076 285 L CA 1.339 56.093 54.840 -0.144 0.000 0.749 285 L CB -1.063 40.990 42.059 -0.010 0.000 0.893 285 L HN 0.409 nan 8.230 nan 0.000 0.432 286 A N -0.053 122.695 122.820 -0.119 0.000 1.898 286 A HA 0.012 4.333 4.320 0.002 0.000 0.214 286 A C 2.246 179.806 177.584 -0.041 0.000 1.183 286 A CA 1.466 53.474 52.037 -0.047 0.000 0.622 286 A CB -0.749 18.248 19.000 -0.005 0.000 0.824 286 A HN 0.423 nan 8.150 nan 0.000 0.444 287 G N -1.062 107.675 108.800 -0.104 0.000 3.020 287 G HA2 0.429 4.391 3.960 0.002 0.000 0.217 287 G HA3 0.429 4.391 3.960 0.002 0.000 0.217 287 G C 0.666 175.690 174.900 0.207 0.000 1.144 287 G CA 0.593 45.772 45.100 0.132 0.000 0.760 287 G HN 0.732 nan 8.290 nan 0.000 0.548 288 A N 0.584 123.389 122.820 -0.026 0.000 2.520 288 A HA 0.482 4.804 4.320 0.002 0.000 0.235 288 A C 0.918 178.550 177.584 0.080 0.000 1.065 288 A CA 0.187 52.266 52.037 0.070 0.000 0.764 288 A CB 0.001 18.964 19.000 -0.063 0.000 1.002 288 A HN 0.171 nan 8.150 nan 0.000 0.502 289 T N 1.462 116.068 114.554 0.086 0.000 2.855 289 T HA 0.286 4.637 4.350 0.002 0.000 0.314 289 T C 1.699 176.419 174.700 0.033 0.000 1.077 289 T CA 0.498 62.631 62.100 0.055 0.000 1.095 289 T CB 0.725 69.621 68.868 0.046 0.000 0.987 289 T HN 1.021 nan 8.240 nan 0.000 0.546 290 A N 1.146 123.981 122.820 0.025 0.000 2.225 290 A HA 0.098 4.420 4.320 0.002 0.000 0.215 290 A C 2.232 179.821 177.584 0.009 0.000 1.164 290 A CA 1.636 53.683 52.037 0.016 0.000 0.710 290 A CB -0.937 18.071 19.000 0.014 0.000 0.780 290 A HN 0.970 nan 8.150 nan 0.000 0.473 291 E N 0.192 120.400 120.200 0.012 0.000 2.102 291 E HA -0.040 4.311 4.350 0.002 0.000 0.190 291 E C 1.663 178.262 176.600 -0.003 0.000 0.971 291 E CA 1.099 57.502 56.400 0.005 0.000 0.821 291 E CB -0.534 29.174 29.700 0.013 0.000 0.777 291 E HN 0.752 nan 8.360 nan 0.000 0.460 292 E N 0.413 120.621 120.200 0.014 0.000 2.208 292 E HA -0.011 4.340 4.350 0.002 0.000 0.193 292 E C 2.089 178.683 176.600 -0.010 0.000 0.988 292 E CA 1.063 57.472 56.400 0.015 0.000 0.828 292 E CB -0.021 29.709 29.700 0.051 0.000 0.763 292 E HN 0.444 nan 8.360 nan 0.000 0.478 293 K N 0.704 121.101 120.400 -0.005 0.000 2.059 293 K HA -0.272 4.050 4.320 0.002 0.000 0.212 293 K C 2.444 179.020 176.600 -0.039 0.000 1.050 293 K CA 2.502 58.788 56.287 -0.003 0.000 0.927 293 K CB -0.245 32.260 32.500 0.008 0.000 0.714 293 K HN 0.141 nan 8.250 nan 0.000 0.447 294 K N 0.519 120.874 120.400 -0.074 0.000 2.031 294 K HA 0.085 4.406 4.320 0.002 0.000 0.205 294 K C 2.196 178.586 176.600 -0.350 0.000 1.049 294 K CA 1.431 57.616 56.287 -0.170 0.000 0.939 294 K CB -1.213 31.225 32.500 -0.103 0.000 0.717 294 K HN 0.302 nan 8.250 nan 0.000 0.438 295 A N -0.058 122.645 122.820 -0.195 0.000 2.076 295 A HA 0.119 4.440 4.320 0.002 0.000 0.220 295 A C 2.079 179.557 177.584 -0.177 0.000 1.160 295 A CA 1.548 53.481 52.037 -0.173 0.000 0.653 295 A CB -0.113 18.860 19.000 -0.046 0.000 0.801 295 A HN 0.348 nan 8.150 nan 0.000 0.455 296 L N -2.523 118.621 121.223 -0.131 0.000 2.590 296 L HA 0.232 4.573 4.340 0.002 0.000 0.227 296 L C 0.235 177.199 176.870 0.156 0.000 1.099 296 L CA 0.700 55.556 54.840 0.026 0.000 0.872 296 L CB -0.919 41.167 42.059 0.044 0.000 1.088 296 L HN 0.653 nan 8.230 nan 0.000 0.479 297 H N -2.485 116.671 119.070 0.142 0.000 2.931 297 H HA -0.146 4.411 4.556 0.002 0.000 0.290 297 H C -0.182 175.299 175.328 0.255 0.000 1.264 297 H CA -0.173 55.981 56.048 0.178 0.000 1.140 297 H CB -1.692 28.173 29.762 0.173 0.000 1.343 297 H HN 0.001 nan 8.280 nan 0.000 0.403 298 L N -0.166 121.191 121.223 0.223 0.000 2.439 298 L HA 0.724 5.066 4.340 0.002 0.000 0.261 298 L C 1.004 177.980 176.870 0.177 0.000 1.153 298 L CA 0.913 55.912 54.840 0.265 0.000 0.808 298 L CB 1.174 43.330 42.059 0.162 0.000 1.126 298 L HN 0.416 nan 8.230 nan 0.000 0.460 299 A N -0.072 122.857 122.820 0.181 0.000 3.065 299 A HA 0.881 5.202 4.320 0.002 0.000 0.293 299 A C -0.347 177.266 177.584 0.048 0.000 1.213 299 A CA 0.004 52.037 52.037 -0.008 0.000 0.667 299 A CB 0.222 19.079 19.000 -0.239 0.000 1.412 299 A HN 0.718 nan 8.150 nan 0.000 0.601 300 G N -0.989 107.772 108.800 -0.064 0.000 2.434 300 G HA2 0.528 4.489 3.960 0.002 0.000 0.330 300 G HA3 0.528 4.489 3.960 0.002 0.000 0.330 300 G C -1.813 173.116 174.900 0.048 0.000 1.155 300 G CA -1.260 43.858 45.100 0.029 0.000 0.917 300 G HN 0.295 nan 8.290 nan 0.000 0.493 301 P HA -0.189 nan 4.420 nan 0.000 0.217 301 P C 1.525 178.912 177.300 0.145 0.000 1.148 301 P CA 1.375 64.639 63.100 0.272 0.000 0.834 301 P CB 0.255 32.086 31.700 0.219 0.000 0.783 302 E N -0.379 119.844 120.200 0.039 0.000 2.274 302 E HA -0.046 4.306 4.350 0.002 0.000 0.194 302 E C 1.355 177.903 176.600 -0.087 0.000 0.996 302 E CA 0.803 57.201 56.400 -0.005 0.000 0.840 302 E CB -1.240 28.455 29.700 -0.009 0.000 0.772 302 E HN 0.140 nan 8.360 nan 0.000 0.491 303 S N -0.030 115.535 115.700 -0.226 0.000 2.701 303 S HA 0.180 4.651 4.470 0.002 0.000 0.220 303 S C -0.554 173.727 174.600 -0.531 0.000 0.954 303 S CA -0.069 57.876 58.200 -0.427 0.000 0.936 303 S CB -0.389 62.420 63.200 -0.652 0.000 0.777 303 S HN 0.161 nan 8.310 nan 0.000 0.518 304 F N 0.882 120.805 119.950 -0.044 0.000 2.536 304 F HA 0.429 4.957 4.527 0.003 0.000 0.322 304 F C 0.829 176.577 175.800 -0.085 0.000 1.144 304 F CA -1.181 56.773 58.000 -0.077 0.000 0.924 304 F CB 1.100 40.042 39.000 -0.097 0.000 1.181 304 F HN -0.229 nan 8.300 nan 0.000 0.438 305 N N 1.415 120.148 118.700 0.054 0.000 2.137 305 N HA -0.231 4.510 4.740 0.002 0.000 0.190 305 N C 1.470 177.037 175.510 0.096 0.000 1.017 305 N CA 1.553 54.610 53.050 0.012 0.000 0.859 305 N CB -0.233 38.203 38.487 -0.085 0.000 1.002 305 N HN 0.695 nan 8.380 nan 0.000 0.428 306 Y N -0.055 120.225 120.300 -0.033 0.000 2.616 306 Y HA 0.079 4.630 4.550 0.003 0.000 0.296 306 Y C 1.281 177.046 175.900 -0.226 0.000 1.154 306 Y CA 0.064 58.064 58.100 -0.167 0.000 1.325 306 Y CB 0.286 38.558 38.460 -0.314 0.000 1.007 306 Y HN -0.008 nan 8.280 nan 0.000 0.542 307 L N -0.508 120.734 121.223 0.033 0.000 3.259 307 L HA 0.137 4.478 4.340 0.002 0.000 0.292 307 L C 0.256 177.174 176.870 0.079 0.000 1.219 307 L CA -0.076 54.762 54.840 -0.002 0.000 1.035 307 L CB 0.177 42.196 42.059 -0.066 0.000 1.424 307 L HN 0.126 nan 8.230 nan 0.000 0.603 308 N N -1.727 117.013 118.700 0.067 0.000 2.351 308 N HA 0.046 4.788 4.740 0.002 0.000 0.254 308 N C 0.972 176.498 175.510 0.027 0.000 1.241 308 N CA -0.216 52.867 53.050 0.053 0.000 0.883 308 N CB 0.368 38.882 38.487 0.045 0.000 1.202 308 N HN 0.048 nan 8.380 nan 0.000 0.512 309 Q N 0.033 119.838 119.800 0.010 0.000 2.304 309 Q HA 0.069 4.410 4.340 0.002 0.000 0.204 309 Q C 1.606 177.577 176.000 -0.047 0.000 0.936 309 Q CA 1.426 57.222 55.803 -0.012 0.000 0.878 309 Q CB -0.221 28.517 28.738 0.000 0.000 0.983 309 Q HN 0.551 nan 8.270 nan 0.000 0.516 310 S N -0.184 115.465 115.700 -0.086 0.000 2.442 310 S HA -0.031 4.441 4.470 0.002 0.000 0.236 310 S C 1.642 176.205 174.600 -0.062 0.000 1.007 310 S CA 1.337 59.473 58.200 -0.107 0.000 0.965 310 S CB -0.242 62.879 63.200 -0.132 0.000 0.773 310 S HN 0.541 nan 8.310 nan 0.000 0.504 311 G N -0.070 108.711 108.800 -0.032 0.000 2.253 311 G HA2 -0.298 3.663 3.960 0.002 0.000 0.251 311 G HA3 -0.298 3.663 3.960 0.002 0.000 0.251 311 G C 0.266 175.149 174.900 -0.029 0.000 0.998 311 G CA 0.067 45.152 45.100 -0.025 0.000 0.621 311 G HN 1.135 nan 8.290 nan 0.000 0.524 312 C N 1.067 120.342 119.300 -0.041 0.000 2.298 312 C HA 0.775 5.236 4.460 0.002 0.000 0.323 312 C C 1.621 176.575 174.990 -0.061 0.000 1.284 312 C CA 0.178 59.160 59.018 -0.060 0.000 1.577 312 C CB 0.937 28.625 27.740 -0.087 0.000 2.249 312 C HN 1.350 nan 8.230 nan 0.000 0.497 313 V N 3.107 122.984 119.914 -0.061 0.000 3.432 313 V HA 0.400 4.521 4.120 0.002 0.000 0.298 313 V C -0.276 175.692 176.094 -0.210 0.000 1.464 313 V CA 0.592 62.861 62.300 -0.052 0.000 1.046 313 V CB -0.215 31.702 31.823 0.156 0.000 0.887 313 V HN 0.938 nan 8.190 nan 0.000 0.441 314 D N -0.022 120.268 120.400 -0.183 0.000 2.661 314 D HA 0.574 5.215 4.640 0.002 0.000 0.228 314 D C -0.857 175.353 176.300 -0.150 0.000 1.183 314 D CA -0.629 53.271 54.000 -0.166 0.000 0.844 314 D CB 1.736 42.483 40.800 -0.088 0.000 1.555 314 D HN 0.212 nan 8.370 nan 0.000 0.453 315 I N -0.025 120.464 120.570 -0.135 0.000 2.418 315 I HA 0.525 4.696 4.170 0.002 0.000 0.287 315 I C 0.468 176.539 176.117 -0.077 0.000 1.008 315 I CA -1.280 59.957 61.300 -0.105 0.000 1.104 315 I CB 1.488 39.422 38.000 -0.109 0.000 1.264 315 I HN 0.596 nan 8.210 nan 0.000 0.438 316 K N 3.901 124.265 120.400 -0.061 0.000 2.412 316 K HA 0.476 4.798 4.320 0.002 0.000 0.281 316 K C 1.055 177.631 176.600 -0.040 0.000 1.027 316 K CA 0.300 56.559 56.287 -0.046 0.000 0.989 316 K CB -0.015 32.460 32.500 -0.041 0.000 0.935 316 K HN 1.199 nan 8.250 nan 0.000 0.475 317 G N -0.331 108.450 108.800 -0.033 0.000 2.157 317 G HA2 -0.122 3.839 3.960 0.002 0.000 0.248 317 G HA3 -0.122 3.839 3.960 0.002 0.000 0.248 317 G C -0.054 174.828 174.900 -0.031 0.000 0.979 317 G CA 0.134 45.218 45.100 -0.026 0.000 0.650 317 G HN 1.443 nan 8.290 nan 0.000 0.529 318 V N 0.559 120.448 119.914 -0.042 0.000 2.577 318 V HA 0.728 4.849 4.120 0.002 0.000 0.303 318 V C 0.213 176.283 176.094 -0.039 0.000 1.042 318 V CA -0.103 62.166 62.300 -0.051 0.000 0.872 318 V CB 1.896 33.666 31.823 -0.089 0.000 0.998 318 V HN 0.630 nan 8.190 nan 0.000 0.423 319 S N 3.014 118.701 115.700 -0.022 0.000 2.434 319 S HA 0.202 4.674 4.470 0.002 0.000 0.318 319 S C 0.876 175.482 174.600 0.009 0.000 1.062 319 S CA -0.630 57.568 58.200 -0.003 0.000 1.116 319 S CB 0.263 63.469 63.200 0.010 0.000 0.977 319 S HN 0.756 nan 8.310 nan 0.000 0.480 320 D N 3.290 123.696 120.400 0.010 0.000 2.182 320 D HA -0.115 4.526 4.640 0.002 0.000 0.201 320 D C 1.770 178.112 176.300 0.069 0.000 0.986 320 D CA 1.388 55.408 54.000 0.033 0.000 0.847 320 D CB 0.034 40.866 40.800 0.053 0.000 0.942 320 D HN 0.685 nan 8.370 nan 0.000 0.467 321 S N 1.223 116.962 115.700 0.065 0.000 2.368 321 S HA -0.128 4.343 4.470 0.002 0.000 0.224 321 S C 1.793 176.471 174.600 0.130 0.000 1.029 321 S CA 0.759 59.022 58.200 0.105 0.000 0.988 321 S CB -0.102 63.139 63.200 0.069 0.000 0.838 321 S HN 0.166 nan 8.310 nan 0.000 0.462 322 E N 1.504 121.752 120.200 0.079 0.000 2.047 322 E HA -0.046 4.305 4.350 0.002 0.000 0.191 322 E C 2.154 178.798 176.600 0.075 0.000 0.987 322 E CA 0.783 57.220 56.400 0.062 0.000 0.799 322 E CB -0.447 29.275 29.700 0.036 0.000 0.752 322 E HN 0.444 nan 8.360 nan 0.000 0.449 323 E N 0.323 120.572 120.200 0.082 0.000 2.118 323 E HA -0.166 4.186 4.350 0.002 0.000 0.195 323 E C 1.885 178.584 176.600 0.165 0.000 0.992 323 E CA 0.499 56.955 56.400 0.092 0.000 0.804 323 E CB -0.429 29.307 29.700 0.061 0.000 0.741 323 E HN 0.206 nan 8.360 nan 0.000 0.458 324 F N 2.112 122.059 119.950 -0.006 0.000 2.171 324 F HA -0.175 4.353 4.527 0.002 0.000 0.300 324 F C 1.835 177.632 175.800 -0.006 0.000 1.090 324 F CA 1.157 59.141 58.000 -0.026 0.000 1.293 324 F CB 0.027 38.983 39.000 -0.074 0.000 1.013 324 F HN -0.138 nan 8.300 nan 0.000 0.486 325 K N 0.703 121.097 120.400 -0.010 0.000 2.026 325 K HA -0.102 4.219 4.320 0.002 0.000 0.208 325 K C 2.333 178.888 176.600 -0.074 0.000 1.048 325 K CA 1.486 57.712 56.287 -0.103 0.000 0.929 325 K CB -1.037 31.450 32.500 -0.022 0.000 0.713 325 K HN 0.276 nan 8.250 nan 0.000 0.439 326 I N 1.099 121.667 120.570 -0.003 0.000 2.091 326 I HA -0.323 3.848 4.170 0.002 0.000 0.239 326 I C 1.964 178.097 176.117 0.026 0.000 1.061 326 I CA 1.751 63.062 61.300 0.019 0.000 1.317 326 I CB -1.291 36.737 38.000 0.047 0.000 1.031 326 I HN 0.183 nan 8.210 nan 0.000 0.401 327 T N 0.622 115.209 114.554 0.056 0.000 2.635 327 T HA -0.223 4.128 4.350 0.002 0.000 0.267 327 T C 2.073 176.803 174.700 0.050 0.000 1.040 327 T CA 1.425 63.587 62.100 0.102 0.000 1.156 327 T CB -0.363 68.635 68.868 0.218 0.000 0.863 327 T HN 0.278 nan 8.240 nan 0.000 0.430 328 R N 0.598 121.055 120.500 -0.071 0.000 2.120 328 R HA -0.066 4.276 4.340 0.002 0.000 0.234 328 R C 2.707 178.990 176.300 -0.029 0.000 1.123 328 R CA 0.992 57.051 56.100 -0.069 0.000 0.975 328 R CB -0.209 29.931 30.300 -0.267 0.000 0.866 328 R HN 0.508 nan 8.270 nan 0.000 0.446 329 Q N -0.157 119.623 119.800 -0.035 0.000 2.046 329 Q HA -0.127 4.215 4.340 0.002 0.000 0.200 329 Q C 2.000 178.011 176.000 0.018 0.000 0.975 329 Q CA 1.625 57.422 55.803 -0.009 0.000 0.836 329 Q CB -0.014 28.718 28.738 -0.011 0.000 0.896 329 Q HN 0.342 nan 8.270 nan 0.000 0.428 330 A N 0.775 123.613 122.820 0.030 0.000 1.902 330 A HA -0.195 4.126 4.320 0.002 0.000 0.217 330 A C 2.071 179.695 177.584 0.067 0.000 1.181 330 A CA 1.555 53.620 52.037 0.047 0.000 0.623 330 A CB -0.573 18.462 19.000 0.058 0.000 0.818 330 A HN 0.408 nan 8.150 nan 0.000 0.443 331 M N -0.440 119.191 119.600 0.051 0.000 2.202 331 M HA -0.177 4.305 4.480 0.002 0.000 0.262 331 M C 1.316 177.720 176.300 0.174 0.000 1.063 331 M CA 1.554 56.906 55.300 0.086 0.000 1.097 331 M CB -0.670 31.885 32.600 -0.075 0.000 1.382 331 M HN 0.359 nan 8.290 nan 0.000 0.413 332 D N 0.698 121.151 120.400 0.088 0.000 2.103 332 D HA -0.043 4.598 4.640 0.002 0.000 0.199 332 D C 1.955 178.285 176.300 0.049 0.000 0.978 332 D CA 1.240 55.280 54.000 0.067 0.000 0.829 332 D CB -0.215 40.606 40.800 0.035 0.000 0.981 332 D HN 0.361 nan 8.370 nan 0.000 0.464 333 I N 0.681 121.275 120.570 0.040 0.000 2.142 333 I HA -0.241 3.930 4.170 0.002 0.000 0.240 333 I C 2.504 178.627 176.117 0.011 0.000 1.078 333 I CA 0.718 62.029 61.300 0.018 0.000 1.343 333 I CB -0.236 37.772 38.000 0.013 0.000 1.046 333 I HN -0.132 nan 8.210 nan 0.000 0.405 334 V N 0.474 120.412 119.914 0.041 0.000 2.332 334 V HA -0.164 3.957 4.120 0.002 0.000 0.248 334 V C 1.601 177.657 176.094 -0.064 0.000 1.055 334 V CA 1.892 64.195 62.300 0.004 0.000 1.038 334 V CB -0.946 30.919 31.823 0.071 0.000 0.651 334 V HN 0.795 nan 8.190 nan 0.000 0.450 335 G N -1.440 107.361 108.800 0.001 0.000 2.148 335 G HA2 -0.141 3.820 3.960 0.002 0.000 0.120 335 G HA3 -0.141 3.820 3.960 0.002 0.000 0.120 335 G C -0.261 174.598 174.900 -0.067 0.000 1.034 335 G CA -0.641 44.419 45.100 -0.066 0.000 0.710 335 G HN 0.261 nan 8.290 nan 0.000 0.495 336 F N 2.927 122.836 119.950 -0.068 0.000 2.427 336 F HA 0.545 5.073 4.527 0.002 0.000 0.352 336 F C 1.451 177.238 175.800 -0.023 0.000 1.100 336 F CA -0.103 57.865 58.000 -0.053 0.000 1.191 336 F CB 1.243 40.209 39.000 -0.058 0.000 1.128 336 F HN 0.251 nan 8.300 nan 0.000 0.533 337 S N 2.605 118.395 115.700 0.149 0.000 2.579 337 S HA 0.020 4.492 4.470 0.002 0.000 0.275 337 S C 1.028 175.691 174.600 0.105 0.000 1.345 337 S CA -0.833 57.425 58.200 0.096 0.000 1.031 337 S CB 0.969 64.210 63.200 0.069 0.000 0.892 337 S HN 0.625 nan 8.310 nan 0.000 0.529 338 Q N 1.058 120.903 119.800 0.076 0.000 2.234 338 Q HA -0.157 4.184 4.340 0.002 0.000 0.206 338 Q C 1.870 177.912 176.000 0.070 0.000 0.980 338 Q CA 1.697 57.544 55.803 0.073 0.000 0.869 338 Q CB -0.555 28.221 28.738 0.062 0.000 0.912 338 Q HN 0.963 nan 8.270 nan 0.000 0.436 339 E N 0.968 121.208 120.200 0.067 0.000 2.007 339 E HA -0.217 4.134 4.350 0.002 0.000 0.203 339 E C 1.816 178.452 176.600 0.061 0.000 1.020 339 E CA 1.358 57.795 56.400 0.061 0.000 0.845 339 E CB 0.071 29.809 29.700 0.063 0.000 0.779 339 E HN 0.385 nan 8.360 nan 0.000 0.466 340 E N 0.026 120.287 120.200 0.102 0.000 2.136 340 E HA -0.304 4.048 4.350 0.002 0.000 0.202 340 E C 2.240 178.852 176.600 0.021 0.000 1.019 340 E CA 1.794 58.286 56.400 0.153 0.000 0.819 340 E CB -0.160 29.756 29.700 0.361 0.000 0.739 340 E HN 0.409 nan 8.360 nan 0.000 0.458 341 Q N -0.339 119.445 119.800 -0.026 0.000 2.124 341 Q HA -0.165 4.177 4.340 0.002 0.000 0.202 341 Q C 2.140 177.980 176.000 -0.268 0.000 0.977 341 Q CA 1.055 56.712 55.803 -0.244 0.000 0.850 341 Q CB -0.190 28.492 28.738 -0.093 0.000 0.901 341 Q HN 0.220 nan 8.270 nan 0.000 0.429 342 M N 0.897 120.497 119.600 -0.000 0.000 2.099 342 M HA -0.086 4.395 4.480 0.002 0.000 0.262 342 M C 1.995 178.326 176.300 0.052 0.000 1.067 342 M CA 1.552 56.924 55.300 0.120 0.000 1.124 342 M CB -0.536 32.133 32.600 0.115 0.000 1.353 342 M HN -0.014 nan 8.290 nan 0.000 0.410 343 S N 0.715 116.402 115.700 -0.021 0.000 2.365 343 S HA -0.161 4.311 4.470 0.002 0.000 0.225 343 S C 1.985 176.534 174.600 -0.086 0.000 1.039 343 S CA 1.844 60.020 58.200 -0.040 0.000 1.033 343 S CB -0.601 62.557 63.200 -0.071 0.000 0.887 343 S HN 0.578 nan 8.310 nan 0.000 0.447 344 I N 0.576 121.004 120.570 -0.237 0.000 2.163 344 I HA -0.213 3.958 4.170 0.002 0.000 0.243 344 I C 1.966 178.040 176.117 -0.071 0.000 1.085 344 I CA 1.304 62.444 61.300 -0.266 0.000 1.347 344 I CB -0.445 37.241 38.000 -0.524 0.000 1.044 344 I HN 0.211 nan 8.210 nan 0.000 0.408 345 F N 1.360 121.372 119.950 0.102 0.000 2.171 345 F HA -0.176 4.353 4.527 0.002 0.000 0.300 345 F C 2.425 178.246 175.800 0.034 0.000 1.090 345 F CA 1.098 59.148 58.000 0.083 0.000 1.293 345 F CB -0.975 38.096 39.000 0.119 0.000 1.013 345 F HN 0.017 nan 8.300 nan 0.000 0.486 346 K N 0.239 120.756 120.400 0.194 0.000 2.057 346 K HA -0.113 4.209 4.320 0.002 0.000 0.206 346 K C 2.171 178.800 176.600 0.049 0.000 1.050 346 K CA 1.431 57.767 56.287 0.083 0.000 0.935 346 K CB -0.607 31.926 32.500 0.056 0.000 0.715 346 K HN 0.267 nan 8.250 nan 0.000 0.439 347 I N 1.502 122.168 120.570 0.160 0.000 2.163 347 I HA -0.309 3.862 4.170 0.002 0.000 0.243 347 I C 2.281 178.586 176.117 0.313 0.000 1.085 347 I CA 1.002 62.507 61.300 0.341 0.000 1.347 347 I CB -0.306 37.863 38.000 0.282 0.000 1.044 347 I HN 0.088 nan 8.210 nan 0.000 0.408 348 I N 1.002 121.709 120.570 0.228 0.000 2.127 348 I HA -0.301 3.871 4.170 0.002 0.000 0.241 348 I C 2.885 179.069 176.117 0.111 0.000 1.075 348 I CA 1.874 63.287 61.300 0.188 0.000 1.334 348 I CB -1.701 36.340 38.000 0.068 0.000 1.040 348 I HN 0.210 nan 8.210 nan 0.000 0.405 349 A N 1.071 123.881 122.820 -0.016 0.000 1.892 349 A HA -0.167 4.154 4.320 0.002 0.000 0.218 349 A C 2.536 179.888 177.584 -0.387 0.000 1.188 349 A CA 2.197 54.103 52.037 -0.219 0.000 0.631 349 A CB -1.471 17.439 19.000 -0.150 0.000 0.822 349 A HN 0.446 nan 8.150 nan 0.000 0.447 350 G N 0.049 108.660 108.800 -0.315 0.000 2.491 350 G HA2 -0.273 3.688 3.960 0.002 0.000 0.218 350 G HA3 -0.273 3.688 3.960 0.002 0.000 0.218 350 G C 1.541 176.538 174.900 0.161 0.000 1.180 350 G CA 1.234 46.062 45.100 -0.453 0.000 0.774 350 G HN 0.491 nan 8.290 nan 0.000 0.562 351 I N 0.475 121.278 120.570 0.389 0.000 2.113 351 I HA -0.257 3.914 4.170 0.002 0.000 0.242 351 I C 2.839 179.120 176.117 0.274 0.000 1.064 351 I CA 1.063 62.633 61.300 0.450 0.000 1.320 351 I CB -0.333 37.977 38.000 0.516 0.000 1.028 351 I HN 0.157 nan 8.210 nan 0.000 0.406 352 L N -0.387 120.851 121.223 0.026 0.000 2.013 352 L HA -0.306 4.035 4.340 0.002 0.000 0.212 352 L C 2.779 179.588 176.870 -0.103 0.000 1.073 352 L CA 1.459 56.145 54.840 -0.256 0.000 0.753 352 L CB -1.077 40.469 42.059 -0.854 0.000 0.890 352 L HN 0.390 nan 8.230 nan 0.000 0.432 353 H N -0.091 119.008 119.070 0.049 0.000 2.321 353 H HA -0.112 4.446 4.556 0.002 0.000 0.300 353 H C 2.366 177.722 175.328 0.046 0.000 1.087 353 H CA 1.323 57.420 56.048 0.083 0.000 1.319 353 H CB -0.519 29.282 29.762 0.065 0.000 1.379 353 H HN 0.282 nan 8.280 nan 0.000 0.501 354 L N -0.127 121.257 121.223 0.268 0.000 2.189 354 L HA -0.121 4.220 4.340 0.002 0.000 0.214 354 L C 2.557 179.436 176.870 0.014 0.000 1.097 354 L CA 1.088 56.064 54.840 0.226 0.000 0.764 354 L CB -0.592 41.684 42.059 0.360 0.000 0.900 354 L HN 0.308 nan 8.230 nan 0.000 0.436 355 G N -0.767 107.876 108.800 -0.262 0.000 2.511 355 G HA2 -0.167 3.794 3.960 0.002 0.000 0.217 355 G HA3 -0.167 3.794 3.960 0.002 0.000 0.217 355 G C 1.224 175.840 174.900 -0.473 0.000 1.133 355 G CA 0.162 44.660 45.100 -1.004 0.000 0.792 355 G HN 0.310 nan 8.290 nan 0.000 0.539 356 N N 0.075 118.662 118.700 -0.188 0.000 2.336 356 N HA 0.164 4.905 4.740 0.002 0.000 0.189 356 N C 0.268 175.711 175.510 -0.113 0.000 1.113 356 N CA -0.202 52.791 53.050 -0.095 0.000 0.858 356 N CB 0.387 38.890 38.487 0.027 0.000 0.970 356 N HN 0.243 nan 8.380 nan 0.000 0.471 357 I N 2.356 122.839 120.570 -0.145 0.000 2.505 357 I HA -0.064 4.108 4.170 0.002 0.000 0.287 357 I C 0.399 176.291 176.117 -0.376 0.000 1.104 357 I CA -0.011 61.130 61.300 -0.265 0.000 1.387 357 I CB 0.305 38.112 38.000 -0.323 0.000 1.404 357 I HN -0.040 nan 8.210 nan 0.000 0.528 358 K N 7.056 127.259 120.400 -0.329 0.000 2.234 358 K HA 0.433 4.755 4.320 0.002 0.000 0.277 358 K C -1.084 175.311 176.600 -0.341 0.000 1.038 358 K CA -0.474 55.664 56.287 -0.247 0.000 0.888 358 K CB 0.837 33.274 32.500 -0.106 0.000 1.091 358 K HN 0.171 nan 8.250 nan 0.000 0.467 359 F N 1.799 121.767 119.950 0.030 0.000 2.384 359 F HA 0.242 4.771 4.527 0.002 0.000 0.338 359 F C 0.918 176.739 175.800 0.034 0.000 1.103 359 F CA -0.274 57.749 58.000 0.039 0.000 1.157 359 F CB 1.088 40.119 39.000 0.051 0.000 1.167 359 F HN 0.496 nan 8.300 nan 0.000 0.529 360 E N 0.502 120.815 120.200 0.188 0.000 2.370 360 E HA 0.478 4.829 4.350 0.002 0.000 0.259 360 E C -0.665 176.004 176.600 0.115 0.000 0.947 360 E CA -1.037 55.433 56.400 0.116 0.000 0.809 360 E CB 1.355 31.095 29.700 0.067 0.000 1.300 360 E HN 0.411 nan 8.360 nan 0.000 0.419 361 K N 0.576 121.018 120.400 0.071 0.000 2.250 361 K HA 0.427 4.749 4.320 0.002 0.000 0.280 361 K C 0.592 177.215 176.600 0.037 0.000 1.098 361 K CA 0.201 56.516 56.287 0.047 0.000 0.916 361 K CB 0.261 32.779 32.500 0.029 0.000 1.209 361 K HN 0.564 nan 8.250 nan 0.000 0.461 362 G N 0.915 109.738 108.800 0.039 0.000 2.632 362 G HA2 0.222 4.184 3.960 0.002 0.000 0.183 362 G HA3 0.222 4.184 3.960 0.002 0.000 0.183 362 G C 1.555 176.463 174.900 0.013 0.000 1.592 362 G CA 1.149 46.270 45.100 0.035 0.000 0.880 362 G HN 0.997 nan 8.290 nan 0.000 0.399 363 A N -1.347 121.474 122.820 0.001 0.000 1.956 363 A HA 0.530 4.851 4.320 0.002 0.000 0.212 363 A C 1.987 179.560 177.584 -0.019 0.000 1.188 363 A CA 1.804 53.837 52.037 -0.005 0.000 0.675 363 A CB -0.186 18.814 19.000 -0.001 0.000 0.845 363 A HN 0.870 nan 8.150 nan 0.000 0.455 364 G N -1.342 107.433 108.800 -0.042 0.000 2.474 364 G HA2 0.304 4.266 3.960 0.002 0.000 0.182 364 G HA3 0.304 4.266 3.960 0.002 0.000 0.182 364 G C 0.854 175.723 174.900 -0.051 0.000 1.702 364 G CA 0.797 45.870 45.100 -0.045 0.000 0.708 364 G HN 0.264 nan 8.290 nan 0.000 0.753 365 E N -0.731 119.417 120.200 -0.086 0.000 2.508 365 E HA 0.281 4.633 4.350 0.002 0.000 0.217 365 E C 0.942 177.465 176.600 -0.127 0.000 0.896 365 E CA 0.009 56.359 56.400 -0.083 0.000 1.118 365 E CB 1.043 30.700 29.700 -0.072 0.000 1.133 365 E HN 0.374 nan 8.360 nan 0.000 0.526 366 G N 0.553 109.196 108.800 -0.261 0.000 2.412 366 G HA2 0.559 4.521 3.960 0.002 0.000 0.318 366 G HA3 0.559 4.521 3.960 0.002 0.000 0.318 366 G C -0.447 174.348 174.900 -0.175 0.000 1.146 366 G CA -0.195 44.606 45.100 -0.498 0.000 0.882 366 G HN 0.186 nan 8.290 nan 0.000 0.501 367 A N 0.275 123.196 122.820 0.169 0.000 2.425 367 A HA 0.596 4.917 4.320 0.002 0.000 0.249 367 A C 0.165 178.029 177.584 0.466 0.000 1.084 367 A CA -0.087 52.146 52.037 0.326 0.000 0.781 367 A CB 0.403 19.545 19.000 0.237 0.000 1.019 367 A HN 1.163 nan 8.150 nan 0.000 0.490 368 V N 1.220 121.311 119.914 0.294 0.000 3.102 368 V HA 0.569 4.691 4.120 0.002 0.000 0.312 368 V C -0.819 175.376 176.094 0.169 0.000 1.135 368 V CA -0.699 61.732 62.300 0.219 0.000 1.022 368 V CB 1.895 33.808 31.823 0.150 0.000 1.056 368 V HN 0.720 nan 8.190 nan 0.000 0.436 369 L N 1.922 123.202 121.223 0.095 0.000 2.457 369 L HA 0.470 4.811 4.340 0.002 0.000 0.252 369 L C 1.127 177.994 176.870 -0.005 0.000 1.132 369 L CA 0.173 55.022 54.840 0.015 0.000 0.938 369 L CB 0.649 42.707 42.059 -0.001 0.000 1.246 369 L HN 0.657 nan 8.230 nan 0.000 0.476 370 K N -0.220 120.177 120.400 -0.005 0.000 2.020 370 K HA -0.128 4.193 4.320 0.002 0.000 0.212 370 K C 0.614 177.196 176.600 -0.029 0.000 1.050 370 K CA 1.324 57.604 56.287 -0.011 0.000 0.929 370 K CB -0.021 32.475 32.500 -0.008 0.000 0.714 370 K HN 0.471 nan 8.250 nan 0.000 0.443 371 D N 0.244 120.614 120.400 -0.050 0.000 2.225 371 D HA 0.112 4.754 4.640 0.002 0.000 0.249 371 D C -0.004 176.250 176.300 -0.076 0.000 1.052 371 D CA 0.069 54.032 54.000 -0.063 0.000 0.909 371 D CB 1.323 42.079 40.800 -0.074 0.000 1.186 371 D HN -0.076 nan 8.370 nan 0.000 0.431 372 K N 1.132 121.486 120.400 -0.076 0.000 2.477 372 K HA 0.098 4.419 4.320 0.002 0.000 0.208 372 K C 1.400 177.938 176.600 -0.103 0.000 1.117 372 K CA -0.080 56.159 56.287 -0.080 0.000 1.039 372 K CB 0.697 33.161 32.500 -0.060 0.000 0.937 372 K HN 0.382 nan 8.250 nan 0.000 0.570 373 T N 1.503 115.990 114.554 -0.112 0.000 2.544 373 T HA -0.267 4.085 4.350 0.002 0.000 0.264 373 T C 2.030 176.617 174.700 -0.188 0.000 1.096 373 T CA 1.993 64.005 62.100 -0.146 0.000 1.181 373 T CB -0.342 68.447 68.868 -0.131 0.000 0.864 373 T HN 0.314 nan 8.240 nan 0.000 0.415 374 A N 1.190 123.913 122.820 -0.161 0.000 1.940 374 A HA -0.065 4.256 4.320 0.002 0.000 0.219 374 A C 2.331 179.831 177.584 -0.139 0.000 1.176 374 A CA 1.821 53.760 52.037 -0.163 0.000 0.631 374 A CB -0.968 17.987 19.000 -0.076 0.000 0.814 374 A HN 0.452 nan 8.150 nan 0.000 0.446 375 L N 0.914 122.076 121.223 -0.102 0.000 1.989 375 L HA -0.241 4.101 4.340 0.002 0.000 0.211 375 L C 1.958 178.793 176.870 -0.058 0.000 1.071 375 L CA 2.655 57.467 54.840 -0.047 0.000 0.749 375 L CB -0.694 41.340 42.059 -0.041 0.000 0.890 375 L HN 0.489 nan 8.230 nan 0.000 0.431 376 N N 0.118 118.750 118.700 -0.113 0.000 2.309 376 N HA -0.126 4.615 4.740 0.002 0.000 0.182 376 N C 1.818 177.220 175.510 -0.180 0.000 1.018 376 N CA 1.235 54.213 53.050 -0.120 0.000 0.876 376 N CB -0.329 38.089 38.487 -0.115 0.000 0.972 376 N HN 0.557 nan 8.380 nan 0.000 0.434 377 A N 1.723 124.349 122.820 -0.324 0.000 1.877 377 A HA 0.040 4.361 4.320 0.002 0.000 0.216 377 A C 2.503 179.958 177.584 -0.214 0.000 1.186 377 A CA 1.684 53.404 52.037 -0.527 0.000 0.620 377 A CB -0.767 17.552 19.000 -1.134 0.000 0.822 377 A HN 0.326 nan 8.150 nan 0.000 0.443 378 A N 0.061 122.831 122.820 -0.082 0.000 1.834 378 A HA -0.135 4.186 4.320 0.002 0.000 0.216 378 A C 2.437 180.077 177.584 0.093 0.000 1.203 378 A CA 2.503 54.630 52.037 0.150 0.000 0.621 378 A CB -1.337 17.851 19.000 0.314 0.000 0.841 378 A HN 0.601 nan 8.150 nan 0.000 0.446 379 S N -0.257 115.521 115.700 0.130 0.000 2.381 379 S HA -0.258 4.214 4.470 0.002 0.000 0.230 379 S C 1.976 176.602 174.600 0.044 0.000 1.052 379 S CA 2.077 60.333 58.200 0.094 0.000 1.068 379 S CB -1.224 61.984 63.200 0.015 0.000 0.918 379 S HN 0.688 nan 8.310 nan 0.000 0.448 380 T N 2.542 117.097 114.554 0.002 0.000 2.570 380 T HA -0.171 4.180 4.350 0.002 0.000 0.266 380 T C 2.161 176.874 174.700 0.020 0.000 1.071 380 T CA 2.148 64.255 62.100 0.012 0.000 1.172 380 T CB -0.911 67.969 68.868 0.020 0.000 0.864 380 T HN 0.492 nan 8.240 nan 0.000 0.421 381 V N -0.785 119.116 119.914 -0.022 0.000 2.392 381 V HA -0.115 4.007 4.120 0.002 0.000 0.249 381 V C 2.068 178.100 176.094 -0.104 0.000 1.059 381 V CA 1.750 63.998 62.300 -0.088 0.000 1.051 381 V CB -1.305 30.429 31.823 -0.149 0.000 0.658 381 V HN 0.521 nan 8.190 nan 0.000 0.455 382 F N 1.888 121.914 119.950 0.127 0.000 2.416 382 F HA 0.469 4.998 4.527 0.002 0.000 0.296 382 F C 2.001 177.812 175.800 0.017 0.000 1.099 382 F CA 0.695 58.765 58.000 0.116 0.000 1.427 382 F CB -0.287 38.824 39.000 0.185 0.000 1.079 382 F HN 0.427 nan 8.300 nan 0.000 0.536 383 G N 1.671 110.554 108.800 0.138 0.000 2.291 383 G HA2 -0.145 3.817 3.960 0.002 0.000 0.271 383 G HA3 -0.145 3.817 3.960 0.002 0.000 0.271 383 G C -0.284 174.602 174.900 -0.024 0.000 1.099 383 G CA 0.072 45.201 45.100 0.048 0.000 0.919 383 G HN 0.457 nan 8.290 nan 0.000 0.496 384 V N -3.083 116.784 119.914 -0.078 0.000 3.103 384 V HA 0.724 4.846 4.120 0.002 0.000 0.318 384 V C 0.472 176.478 176.094 -0.146 0.000 1.114 384 V CA -1.471 60.693 62.300 -0.227 0.000 1.020 384 V CB 2.105 33.569 31.823 -0.598 0.000 1.085 384 V HN 0.295 nan 8.190 nan 0.000 0.446 385 N N 2.202 120.806 118.700 -0.160 0.000 2.437 385 N HA 0.334 5.075 4.740 0.002 0.000 0.243 385 N C -1.866 173.593 175.510 -0.086 0.000 1.041 385 N CA -1.572 51.418 53.050 -0.100 0.000 0.940 385 N CB 1.857 40.293 38.487 -0.085 0.000 1.133 385 N HN 0.539 nan 8.380 nan 0.000 0.506 386 P HA -0.135 nan 4.420 nan 0.000 0.217 386 P C 1.224 178.510 177.300 -0.023 0.000 1.148 386 P CA 1.021 64.102 63.100 -0.032 0.000 0.828 386 P CB 0.356 32.038 31.700 -0.029 0.000 0.783 387 S N -1.338 114.344 115.700 -0.030 0.000 2.406 387 S HA -0.058 4.413 4.470 0.002 0.000 0.228 387 S C 1.777 176.364 174.600 -0.021 0.000 1.020 387 S CA 0.765 58.953 58.200 -0.021 0.000 0.965 387 S CB -0.866 62.322 63.200 -0.021 0.000 0.798 387 S HN -0.122 nan 8.310 nan 0.000 0.488 388 V N 2.186 122.078 119.914 -0.037 0.000 2.270 388 V HA -0.120 4.002 4.120 0.002 0.000 0.245 388 V C 2.343 178.422 176.094 -0.025 0.000 1.043 388 V CA 1.632 63.906 62.300 -0.042 0.000 1.014 388 V CB -0.896 30.883 31.823 -0.073 0.000 0.645 388 V HN 0.437 nan 8.190 nan 0.000 0.447 389 L N 0.619 121.823 121.223 -0.032 0.000 1.978 389 L HA -0.258 4.083 4.340 0.002 0.000 0.218 389 L C 2.491 179.402 176.870 0.070 0.000 1.075 389 L CA 2.580 57.438 54.840 0.030 0.000 0.767 389 L CB -1.010 41.078 42.059 0.048 0.000 0.890 389 L HN 0.486 nan 8.230 nan 0.000 0.434 390 E N -0.843 119.389 120.200 0.054 0.000 2.065 390 E HA -0.291 4.061 4.350 0.002 0.000 0.201 390 E C 2.139 178.763 176.600 0.041 0.000 1.016 390 E CA 1.763 58.202 56.400 0.065 0.000 0.818 390 E CB -0.006 29.713 29.700 0.032 0.000 0.749 390 E HN 0.400 nan 8.360 nan 0.000 0.453 391 K N -0.136 120.269 120.400 0.008 0.000 2.002 391 K HA -0.115 4.207 4.320 0.002 0.000 0.209 391 K C 2.134 178.729 176.600 -0.009 0.000 1.048 391 K CA 1.049 57.325 56.287 -0.018 0.000 0.930 391 K CB -0.560 31.927 32.500 -0.023 0.000 0.714 391 K HN 0.195 nan 8.250 nan 0.000 0.438 392 A N 1.429 124.257 122.820 0.013 0.000 1.986 392 A HA -0.165 4.156 4.320 0.002 0.000 0.220 392 A C 2.304 179.909 177.584 0.036 0.000 1.171 392 A CA 1.410 53.463 52.037 0.027 0.000 0.640 392 A CB -0.605 18.421 19.000 0.042 0.000 0.811 392 A HN 0.198 nan 8.150 nan 0.000 0.451 393 L N -2.390 118.871 121.223 0.063 0.000 2.068 393 L HA 0.000 4.342 4.340 0.002 0.000 0.204 393 L C 2.657 179.513 176.870 -0.024 0.000 1.076 393 L CA 1.396 56.278 54.840 0.070 0.000 0.753 393 L CB -0.202 41.988 42.059 0.218 0.000 0.910 393 L HN 0.360 nan 8.230 nan 0.000 0.439 394 M N -1.870 117.714 119.600 -0.027 0.000 2.421 394 M HA 0.074 4.556 4.480 0.002 0.000 0.258 394 M C 0.171 176.366 176.300 -0.175 0.000 1.122 394 M CA 0.545 55.779 55.300 -0.109 0.000 1.078 394 M CB 0.843 33.374 32.600 -0.114 0.000 1.380 394 M HN -0.016 nan 8.290 nan 0.000 0.499 395 E N 1.200 121.320 120.200 -0.133 0.000 3.846 395 E HA 0.198 4.550 4.350 0.002 0.000 0.216 395 E C -2.421 174.151 176.600 -0.047 0.000 1.092 395 E CA -1.615 54.713 56.400 -0.120 0.000 1.370 395 E CB 0.724 30.326 29.700 -0.164 0.000 1.227 395 E HN 0.106 nan 8.360 nan 0.000 0.442 396 P HA 0.020 nan 4.420 nan 0.000 0.271 396 P C -0.387 176.913 177.300 0.000 0.000 1.220 396 P CA -0.041 63.054 63.100 -0.007 0.000 0.768 396 P CB 0.698 32.397 31.700 -0.002 0.000 0.848 397 R N 3.215 123.718 120.500 0.004 0.000 2.401 397 R HA 0.389 4.730 4.340 0.002 0.000 0.299 397 R C 0.114 176.421 176.300 0.012 0.000 1.064 397 R CA -0.200 55.905 56.100 0.008 0.000 1.000 397 R CB -0.012 30.293 30.300 0.008 0.000 0.973 397 R HN 0.507 nan 8.270 nan 0.000 0.438 398 I N 3.354 123.932 120.570 0.013 0.000 2.465 398 I HA 0.207 4.378 4.170 0.002 0.000 0.291 398 I C -0.069 176.056 176.117 0.014 0.000 1.014 398 I CA -0.661 60.648 61.300 0.014 0.000 1.093 398 I CB 1.819 39.828 38.000 0.014 0.000 1.267 398 I HN 0.391 nan 8.210 nan 0.000 0.431 399 L N 6.018 127.249 121.223 0.013 0.000 2.462 399 L HA 0.415 4.757 4.340 0.002 0.000 0.272 399 L C 0.269 177.145 176.870 0.010 0.000 1.166 399 L CA 0.086 54.933 54.840 0.012 0.000 0.880 399 L CB 0.975 43.041 42.059 0.011 0.000 1.142 399 L HN 0.865 nan 8.230 nan 0.000 0.473 400 A N 4.020 126.846 122.820 0.010 0.000 3.365 400 A HA 0.614 4.936 4.320 0.002 0.000 0.258 400 A C 0.318 177.908 177.584 0.010 0.000 0.964 400 A CA 0.312 52.356 52.037 0.011 0.000 0.988 400 A CB 0.339 19.346 19.000 0.012 0.000 1.193 400 A HN 1.101 nan 8.150 nan 0.000 0.508 401 G N -0.128 108.677 108.800 0.008 0.000 2.344 401 G HA2 0.295 4.257 3.960 0.002 0.000 0.215 401 G HA3 0.295 4.257 3.960 0.002 0.000 0.215 401 G C 0.879 175.783 174.900 0.007 0.000 1.293 401 G CA 0.697 45.802 45.100 0.008 0.000 1.305 401 G HN 1.513 nan 8.290 nan 0.000 0.484 402 R N 0.462 120.966 120.500 0.007 0.000 2.373 402 R HA 0.517 4.858 4.340 0.002 0.000 0.221 402 R C 0.602 176.907 176.300 0.008 0.000 0.893 402 R CA 1.516 57.620 56.100 0.007 0.000 1.049 402 R CB -0.419 29.884 30.300 0.006 0.000 1.119 402 R HN 0.615 nan 8.270 nan 0.000 0.535 403 D N 0.169 120.575 120.400 0.009 0.000 2.350 403 D HA 0.310 4.951 4.640 0.002 0.000 0.249 403 D C -0.572 175.734 176.300 0.010 0.000 1.119 403 D CA 0.077 54.083 54.000 0.010 0.000 0.886 403 D CB 1.525 42.331 40.800 0.010 0.000 1.195 403 D HN 0.111 nan 8.370 nan 0.000 0.437 404 L N 3.192 124.421 121.223 0.011 0.000 2.366 404 L HA 0.384 4.725 4.340 0.002 0.000 0.266 404 L C -1.469 175.408 176.870 0.012 0.000 1.010 404 L CA -0.645 54.202 54.840 0.011 0.000 0.879 404 L CB 0.914 42.979 42.059 0.011 0.000 1.228 404 L HN 0.170 nan 8.230 nan 0.000 0.439 405 V N 2.977 122.899 119.914 0.013 0.000 2.540 405 V HA 0.530 4.652 4.120 0.002 0.000 0.302 405 V C 0.556 176.659 176.094 0.015 0.000 1.035 405 V CA -0.801 61.508 62.300 0.014 0.000 0.873 405 V CB 1.754 33.587 31.823 0.016 0.000 0.992 405 V HN 0.787 nan 8.190 nan 0.000 0.428 406 A N 4.664 127.493 122.820 0.014 0.000 2.477 406 A HA 0.504 4.825 4.320 0.002 0.000 0.246 406 A C 0.028 177.627 177.584 0.025 0.000 1.078 406 A CA -0.076 51.968 52.037 0.011 0.000 0.770 406 A CB 0.183 19.185 19.000 0.004 0.000 1.011 406 A HN 0.784 nan 8.150 nan 0.000 0.494 407 Q N 1.128 120.943 119.800 0.025 0.000 2.321 407 Q HA 0.221 4.562 4.340 0.002 0.000 0.270 407 Q C -1.194 174.853 176.000 0.079 0.000 1.032 407 Q CA -0.351 55.484 55.803 0.053 0.000 0.784 407 Q CB 2.138 30.899 28.738 0.039 0.000 1.264 407 Q HN 0.916 nan 8.270 nan 0.000 0.448 408 H N 3.241 122.311 119.070 -0.000 0.000 2.846 408 H HA 0.328 4.885 4.556 0.002 0.000 0.278 408 H C -0.439 174.882 175.328 -0.013 0.000 1.117 408 H CA -0.318 55.729 56.048 -0.001 0.000 1.406 408 H CB 0.349 30.116 29.762 0.007 0.000 1.445 408 H HN 0.411 nan 8.280 nan 0.000 0.469 409 L N 4.270 125.654 121.223 0.269 0.000 2.395 409 L HA 0.126 4.467 4.340 0.002 0.000 0.269 409 L C 0.706 177.664 176.870 0.146 0.000 1.133 409 L CA -0.935 53.981 54.840 0.127 0.000 0.812 409 L CB 0.581 42.637 42.059 -0.006 0.000 1.125 409 L HN 0.771 nan 8.230 nan 0.000 0.452 410 N N 1.271 119.990 118.700 0.032 0.000 2.327 410 N HA 0.063 4.805 4.740 0.002 0.000 0.257 410 N C 0.800 176.299 175.510 -0.017 0.000 1.281 410 N CA -0.676 52.379 53.050 0.007 0.000 0.942 410 N CB 0.293 38.775 38.487 -0.008 0.000 1.199 410 N HN 0.282 nan 8.380 nan 0.000 0.532 411 V N -0.116 119.808 119.914 0.017 0.000 2.231 411 V HA -0.303 3.818 4.120 0.002 0.000 0.250 411 V C 2.535 178.612 176.094 -0.027 0.000 1.058 411 V CA 2.562 64.889 62.300 0.045 0.000 1.022 411 V CB -0.984 30.900 31.823 0.102 0.000 0.640 411 V HN 0.894 nan 8.190 nan 0.000 0.445 412 E N 0.247 120.444 120.200 -0.006 0.000 2.013 412 E HA -0.327 4.025 4.350 0.002 0.000 0.202 412 E C 2.304 178.867 176.600 -0.062 0.000 1.018 412 E CA 2.115 58.509 56.400 -0.009 0.000 0.834 412 E CB -0.309 29.394 29.700 0.005 0.000 0.770 412 E HN 0.562 nan 8.360 nan 0.000 0.459 413 K N 0.068 120.428 120.400 -0.068 0.000 2.127 413 K HA -0.139 4.182 4.320 0.002 0.000 0.208 413 K C 2.454 178.951 176.600 -0.172 0.000 1.047 413 K CA 1.656 57.894 56.287 -0.082 0.000 0.927 413 K CB -0.132 32.337 32.500 -0.052 0.000 0.716 413 K HN 0.067 nan 8.250 nan 0.000 0.450 414 S N 0.082 115.599 115.700 -0.305 0.000 2.368 414 S HA -0.129 4.342 4.470 0.002 0.000 0.224 414 S C 2.011 176.191 174.600 -0.701 0.000 1.029 414 S CA 1.203 59.026 58.200 -0.629 0.000 0.988 414 S CB -0.153 62.396 63.200 -1.085 0.000 0.838 414 S HN 0.300 nan 8.310 nan 0.000 0.462 415 S N 1.562 116.983 115.700 -0.464 0.000 2.348 415 S HA -0.136 4.336 4.470 0.002 0.000 0.221 415 S C 2.217 176.837 174.600 0.032 0.000 1.033 415 S CA 1.829 59.991 58.200 -0.063 0.000 1.010 415 S CB -0.516 62.769 63.200 0.143 0.000 0.891 415 S HN 0.706 nan 8.310 nan 0.000 0.442 416 S N 0.816 116.512 115.700 -0.006 0.000 2.359 416 S HA -0.138 4.333 4.470 0.002 0.000 0.224 416 S C 2.109 176.720 174.600 0.019 0.000 1.035 416 S CA 1.629 59.841 58.200 0.020 0.000 1.018 416 S CB -1.212 61.989 63.200 0.003 0.000 0.876 416 S HN 0.531 nan 8.310 nan 0.000 0.448 417 S N 1.960 117.645 115.700 -0.027 0.000 2.370 417 S HA -0.192 4.280 4.470 0.002 0.000 0.226 417 S C 2.182 176.806 174.600 0.041 0.000 1.033 417 S CA 1.270 59.463 58.200 -0.011 0.000 1.011 417 S CB -0.583 62.589 63.200 -0.048 0.000 0.852 417 S HN 0.540 nan 8.310 nan 0.000 0.457 418 R N 0.802 121.346 120.500 0.073 0.000 2.096 418 R HA -0.140 4.201 4.340 0.002 0.000 0.240 418 R C 1.491 177.907 176.300 0.193 0.000 1.139 418 R CA 2.219 58.437 56.100 0.197 0.000 0.952 418 R CB -1.018 29.508 30.300 0.377 0.000 0.854 418 R HN 0.424 nan 8.270 nan 0.000 0.436 419 D N 0.209 120.713 120.400 0.175 0.000 2.144 419 D HA -0.102 4.540 4.640 0.002 0.000 0.199 419 D C 1.755 178.111 176.300 0.094 0.000 0.984 419 D CA 1.496 55.593 54.000 0.161 0.000 0.834 419 D CB -0.305 40.578 40.800 0.138 0.000 0.955 419 D HN 0.367 nan 8.370 nan 0.000 0.465 420 A N 0.692 123.552 122.820 0.066 0.000 1.933 420 A HA -0.150 4.172 4.320 0.002 0.000 0.218 420 A C 2.149 179.749 177.584 0.027 0.000 1.175 420 A CA 1.123 53.182 52.037 0.037 0.000 0.628 420 A CB -0.684 18.329 19.000 0.023 0.000 0.814 420 A HN 0.274 nan 8.150 nan 0.000 0.444 421 L N -0.053 121.187 121.223 0.029 0.000 1.994 421 L HA -0.109 4.232 4.340 0.002 0.000 0.208 421 L C 2.345 179.197 176.870 -0.030 0.000 1.071 421 L CA 2.097 56.915 54.840 -0.036 0.000 0.745 421 L CB -0.679 41.335 42.059 -0.074 0.000 0.892 421 L HN 0.134 nan 8.230 nan 0.000 0.431 422 V N 0.223 120.177 119.914 0.066 0.000 2.252 422 V HA -0.358 3.763 4.120 0.002 0.000 0.249 422 V C 2.643 178.801 176.094 0.106 0.000 1.056 422 V CA 2.427 64.804 62.300 0.129 0.000 1.022 422 V CB -0.817 31.123 31.823 0.195 0.000 0.641 422 V HN 0.502 nan 8.190 nan 0.000 0.445 423 K N 0.210 120.651 120.400 0.067 0.000 2.063 423 K HA -0.145 4.177 4.320 0.002 0.000 0.208 423 K C 2.294 178.935 176.600 0.068 0.000 1.048 423 K CA 1.516 57.847 56.287 0.075 0.000 0.928 423 K CB -0.439 32.091 32.500 0.049 0.000 0.713 423 K HN 0.495 nan 8.250 nan 0.000 0.442 424 A N 1.519 124.347 122.820 0.014 0.000 1.898 424 A HA -0.111 4.210 4.320 0.002 0.000 0.216 424 A C 2.166 179.704 177.584 -0.077 0.000 1.181 424 A CA 1.136 53.144 52.037 -0.048 0.000 0.620 424 A CB -0.633 18.327 19.000 -0.067 0.000 0.819 424 A HN 0.137 nan 8.150 nan 0.000 0.442 425 L N -2.327 118.871 121.223 -0.041 0.000 2.012 425 L HA -0.236 4.106 4.340 0.002 0.000 0.210 425 L C 2.581 179.481 176.870 0.051 0.000 1.073 425 L CA 1.992 56.812 54.840 -0.032 0.000 0.748 425 L CB -0.625 41.413 42.059 -0.035 0.000 0.891 425 L HN 0.559 nan 8.230 nan 0.000 0.431 426 Y N 0.332 120.647 120.300 0.025 0.000 2.133 426 Y HA -0.179 4.372 4.550 0.002 0.000 0.287 426 Y C 2.427 178.342 175.900 0.024 0.000 1.134 426 Y CA 1.713 59.847 58.100 0.057 0.000 1.133 426 Y CB -0.507 38.005 38.460 0.087 0.000 0.987 426 Y HN 0.098 nan 8.280 nan 0.000 0.502 427 G N -0.406 108.452 108.800 0.098 0.000 2.422 427 G HA2 -0.217 3.744 3.960 0.002 0.000 0.218 427 G HA3 -0.217 3.744 3.960 0.002 0.000 0.218 427 G C 1.733 176.623 174.900 -0.016 0.000 1.146 427 G CA 0.657 45.770 45.100 0.022 0.000 0.769 427 G HN 0.289 nan 8.290 nan 0.000 0.547 428 R N -0.657 119.798 120.500 -0.075 0.000 2.075 428 R HA 0.016 4.358 4.340 0.002 0.000 0.232 428 R C 2.492 178.748 176.300 -0.073 0.000 1.126 428 R CA 1.127 57.157 56.100 -0.116 0.000 0.963 428 R CB -0.509 29.639 30.300 -0.254 0.000 0.858 428 R HN 0.394 nan 8.270 nan 0.000 0.435 429 L N 0.301 121.459 121.223 -0.109 0.000 2.042 429 L HA -0.166 4.175 4.340 0.002 0.000 0.210 429 L C 1.951 178.756 176.870 -0.109 0.000 1.076 429 L CA 1.666 56.437 54.840 -0.116 0.000 0.749 429 L CB -0.565 41.388 42.059 -0.176 0.000 0.893 429 L HN 0.041 nan 8.230 nan 0.000 0.432 430 F N -0.680 119.072 119.950 -0.330 0.000 2.146 430 F HA -0.186 4.343 4.527 0.002 0.000 0.298 430 F C 2.096 177.750 175.800 -0.244 0.000 1.096 430 F CA 1.610 59.390 58.000 -0.367 0.000 1.275 430 F CB -0.088 38.669 39.000 -0.406 0.000 1.008 430 F HN 0.044 nan 8.300 nan 0.000 0.480 431 L N -1.380 119.842 121.223 -0.002 0.000 2.017 431 L HA -0.248 4.093 4.340 0.002 0.000 0.208 431 L C 2.314 179.128 176.870 -0.092 0.000 1.073 431 L CA 1.822 56.632 54.840 -0.051 0.000 0.745 431 L CB -0.981 41.072 42.059 -0.009 0.000 0.894 431 L HN 0.406 nan 8.230 nan 0.000 0.432 432 W N 0.827 121.999 121.300 -0.214 0.000 2.338 432 W HA -0.247 4.415 4.660 0.003 0.000 0.304 432 W C 2.301 178.689 176.519 -0.218 0.000 1.212 432 W CA 1.586 58.817 57.345 -0.191 0.000 1.264 432 W CB -0.201 29.166 29.460 -0.156 0.000 1.142 432 W HN -0.018 nan 8.180 nan 0.000 0.512 433 L N -0.382 120.749 121.223 -0.154 0.000 2.012 433 L HA -0.295 4.047 4.340 0.002 0.000 0.210 433 L C 2.300 178.911 176.870 -0.432 0.000 1.073 433 L CA 1.562 56.189 54.840 -0.354 0.000 0.748 433 L CB -1.375 40.310 42.059 -0.623 0.000 0.891 433 L HN -0.119 nan 8.230 nan 0.000 0.431 434 V N -0.293 119.324 119.914 -0.495 0.000 2.343 434 V HA -0.287 3.834 4.120 0.002 0.000 0.247 434 V C 2.454 178.341 176.094 -0.344 0.000 1.051 434 V CA 1.767 63.815 62.300 -0.420 0.000 1.036 434 V CB -0.564 31.012 31.823 -0.410 0.000 0.654 434 V HN 0.414 nan 8.190 nan 0.000 0.451 435 K N -0.116 120.071 120.400 -0.355 0.000 2.057 435 K HA -0.138 4.183 4.320 0.002 0.000 0.206 435 K C 2.315 178.654 176.600 -0.435 0.000 1.050 435 K CA 1.167 57.250 56.287 -0.341 0.000 0.935 435 K CB -0.205 32.119 32.500 -0.292 0.000 0.715 435 K HN 0.364 nan 8.250 nan 0.000 0.439 436 K N 0.885 120.903 120.400 -0.637 0.000 2.009 436 K HA -0.137 4.185 4.320 0.002 0.000 0.210 436 K C 2.169 178.427 176.600 -0.569 0.000 1.049 436 K CA 1.390 57.224 56.287 -0.756 0.000 0.929 436 K CB -0.318 31.470 32.500 -1.186 0.000 0.714 436 K HN 0.153 nan 8.250 nan 0.000 0.440 437 I N 1.800 122.110 120.570 -0.433 0.000 2.208 437 I HA -0.312 3.860 4.170 0.002 0.000 0.245 437 I C 1.987 177.949 176.117 -0.258 0.000 1.097 437 I CA 1.030 62.153 61.300 -0.296 0.000 1.363 437 I CB -0.395 37.492 38.000 -0.188 0.000 1.051 437 I HN 0.186 nan 8.210 nan 0.000 0.413 438 N N 1.376 119.922 118.700 -0.256 0.000 2.104 438 N HA -0.182 4.560 4.740 0.002 0.000 0.190 438 N C 1.452 176.840 175.510 -0.204 0.000 1.024 438 N CA 1.696 54.621 53.050 -0.209 0.000 0.853 438 N CB -0.720 37.650 38.487 -0.195 0.000 1.008 438 N HN 0.511 nan 8.380 nan 0.000 0.424 439 N N -0.028 118.527 118.700 -0.242 0.000 2.289 439 N HA -0.071 4.670 4.740 0.002 0.000 0.184 439 N C 1.672 177.066 175.510 -0.193 0.000 1.016 439 N CA 0.648 53.573 53.050 -0.209 0.000 0.872 439 N CB -0.055 38.303 38.487 -0.215 0.000 0.973 439 N HN -0.005 nan 8.380 nan 0.000 0.433 440 V N 1.025 120.803 119.914 -0.226 0.000 2.323 440 V HA -0.124 3.997 4.120 0.002 0.000 0.244 440 V C 2.039 178.042 176.094 -0.151 0.000 1.041 440 V CA 1.389 63.571 62.300 -0.196 0.000 1.025 440 V CB -0.495 31.191 31.823 -0.229 0.000 0.656 440 V HN 0.298 nan 8.190 nan 0.000 0.451 441 L N -0.959 120.173 121.223 -0.152 0.000 2.168 441 L HA 0.071 4.412 4.340 0.002 0.000 0.203 441 L C 1.594 178.396 176.870 -0.115 0.000 1.078 441 L CA 0.209 54.974 54.840 -0.125 0.000 0.780 441 L CB -0.305 41.680 42.059 -0.123 0.000 0.939 441 L HN 0.341 nan 8.230 nan 0.000 0.451 442 C N 2.234 121.461 119.300 -0.122 0.000 2.653 442 C HA 0.408 4.870 4.460 0.002 0.000 0.421 442 C C 0.737 175.674 174.990 -0.088 0.000 1.334 442 C CA -0.178 58.775 59.018 -0.107 0.000 1.885 442 C CB 0.064 27.737 27.740 -0.113 0.000 2.645 442 C HN 0.482 nan 8.230 nan 0.000 0.601 443 Q N 3.912 123.669 119.800 -0.071 0.000 2.333 443 Q HA 0.346 4.687 4.340 0.002 0.000 0.265 443 Q C 0.521 176.497 176.000 -0.041 0.000 0.989 443 Q CA -0.290 55.483 55.803 -0.050 0.000 0.842 443 Q CB 0.625 29.343 28.738 -0.034 0.000 1.262 443 Q HN 0.918 nan 8.270 nan 0.000 0.451 444 E N 1.473 121.650 120.200 -0.039 0.000 2.007 444 E HA -0.081 4.271 4.350 0.002 0.000 0.194 444 E C 1.529 178.116 176.600 -0.021 0.000 0.999 444 E CA 1.698 58.078 56.400 -0.033 0.000 0.811 444 E CB 0.036 29.717 29.700 -0.033 0.000 0.762 444 E HN 0.727 nan 8.360 nan 0.000 0.450 445 R N 2.832 123.321 120.500 -0.017 0.000 4.164 445 R HA 0.058 4.399 4.340 0.002 0.000 0.195 445 R C 0.154 176.454 176.300 -0.001 0.000 1.712 445 R CA -0.056 56.038 56.100 -0.011 0.000 1.457 445 R CB -1.176 29.119 30.300 -0.009 0.000 1.387 445 R HN 0.143 nan 8.270 nan 0.000 0.785 446 K N -0.042 120.362 120.400 0.006 0.000 2.095 446 K HA 0.675 4.996 4.320 0.002 0.000 0.252 446 K C 0.488 177.084 176.600 -0.006 0.000 0.977 446 K CA 0.141 56.448 56.287 0.033 0.000 0.900 446 K CB 1.951 34.496 32.500 0.075 0.000 1.060 446 K HN 0.058 nan 8.250 nan 0.000 0.449 447 A N 1.698 124.516 122.820 -0.004 0.000 1.901 447 A HA 0.195 4.517 4.320 0.002 0.000 0.210 447 A C -0.103 177.131 177.584 -0.583 0.000 1.208 447 A CA 0.626 52.513 52.037 -0.250 0.000 0.644 447 A CB -0.176 18.728 19.000 -0.161 0.000 0.863 447 A HN 0.689 nan 8.150 nan 0.000 0.454 448 Y N -2.382 118.027 120.300 0.183 0.000 2.669 448 Y HA 0.577 5.129 4.550 0.002 0.000 0.335 448 Y C -0.580 175.538 175.900 0.363 0.000 1.116 448 Y CA -1.209 56.984 58.100 0.155 0.000 1.081 448 Y CB 1.661 40.131 38.460 0.017 0.000 1.297 448 Y HN 0.385 nan 8.280 nan 0.000 0.484 449 F N -1.001 119.194 119.950 0.408 0.000 2.668 449 F HA 0.814 5.343 4.527 0.003 0.000 0.309 449 F C -2.201 173.809 175.800 0.350 0.000 1.117 449 F CA -1.416 56.827 58.000 0.405 0.000 0.951 449 F CB 1.297 40.435 39.000 0.231 0.000 1.323 449 F HN 0.234 nan 8.300 nan 0.000 0.451 450 I N 2.332 123.312 120.570 0.683 0.000 2.439 450 I HA 0.547 4.718 4.170 0.002 0.000 0.283 450 I C 0.016 176.403 176.117 0.450 0.000 1.023 450 I CA -0.797 60.776 61.300 0.456 0.000 1.100 450 I CB 1.566 39.814 38.000 0.414 0.000 1.238 450 I HN 0.965 nan 8.210 nan 0.000 0.445 451 G N 5.405 114.470 108.800 0.441 0.000 2.389 451 G HA2 0.644 4.606 3.960 0.002 0.000 0.328 451 G HA3 0.644 4.606 3.960 0.002 0.000 0.328 451 G C -0.891 173.953 174.900 -0.095 0.000 1.133 451 G CA -0.365 44.706 45.100 -0.048 0.000 0.891 451 G HN 0.303 nan 8.290 nan 0.000 0.485 452 V N 2.451 122.170 119.914 -0.325 0.000 2.487 452 V HA 0.379 4.500 4.120 0.002 0.000 0.298 452 V C -0.613 175.480 176.094 -0.002 0.000 1.028 452 V CA -0.842 61.423 62.300 -0.058 0.000 0.860 452 V CB 1.478 33.297 31.823 -0.007 0.000 0.991 452 V HN 0.643 nan 8.190 nan 0.000 0.427 453 L N 4.274 125.636 121.223 0.232 0.000 2.265 453 L HA 0.649 4.991 4.340 0.002 0.000 0.289 453 L C -0.473 176.494 176.870 0.161 0.000 1.033 453 L CA 0.227 55.264 54.840 0.328 0.000 0.814 453 L CB 1.140 43.382 42.059 0.306 0.000 1.203 453 L HN 0.736 nan 8.230 nan 0.000 0.423 454 D N 6.522 127.000 120.400 0.131 0.000 2.464 454 D HA 0.449 5.090 4.640 0.002 0.000 0.243 454 D C -0.811 175.511 176.300 0.037 0.000 1.104 454 D CA -0.207 53.830 54.000 0.061 0.000 0.883 454 D CB 0.305 41.122 40.800 0.028 0.000 1.050 454 D HN 0.517 nan 8.370 nan 0.000 0.524 455 I N -1.086 119.499 120.570 0.025 0.000 3.095 455 I HA 0.573 4.744 4.170 0.002 0.000 0.310 455 I C -0.255 175.854 176.117 -0.012 0.000 1.196 455 I CA -0.968 60.334 61.300 0.002 0.000 0.985 455 I CB 1.895 39.884 38.000 -0.018 0.000 1.250 455 I HN -0.063 nan 8.210 nan 0.000 0.446 456 S N 1.327 117.020 115.700 -0.013 0.000 2.584 456 S HA 0.462 4.933 4.470 0.002 0.000 0.270 456 S C 0.484 175.047 174.600 -0.062 0.000 1.346 456 S CA 0.097 58.290 58.200 -0.012 0.000 1.018 456 S CB 1.007 64.220 63.200 0.022 0.000 0.899 456 S HN 0.929 nan 8.310 nan 0.000 0.542 457 G N 0.275 109.046 108.800 -0.048 0.000 2.494 457 G HA2 0.499 4.461 3.960 0.002 0.000 0.270 457 G HA3 0.499 4.461 3.960 0.002 0.000 0.270 457 G C -0.565 174.265 174.900 -0.117 0.000 1.423 457 G CA -0.775 44.265 45.100 -0.099 0.000 1.055 457 G HN 0.494 nan 8.290 nan 0.000 0.536 458 F N 0.148 120.065 119.950 -0.055 0.000 2.602 458 F HA 0.167 4.696 4.527 0.002 0.000 0.367 458 F C 1.181 176.892 175.800 -0.150 0.000 1.126 458 F CA 0.794 58.728 58.000 -0.110 0.000 1.321 458 F CB 0.598 39.544 39.000 -0.091 0.000 1.094 458 F HN 0.220 nan 8.300 nan 0.000 0.594 459 E N 4.100 124.243 120.200 -0.095 0.000 2.102 459 E HA 0.360 4.711 4.350 0.002 0.000 0.263 459 E C -0.784 175.498 176.600 -0.529 0.000 0.894 459 E CA -0.273 55.861 56.400 -0.442 0.000 0.746 459 E CB 1.058 30.302 29.700 -0.759 0.000 1.129 459 E HN 0.397 nan 8.360 nan 0.000 0.416 460 I N 4.879 125.250 120.570 -0.331 0.000 2.460 460 I HA 0.284 4.456 4.170 0.002 0.000 0.277 460 I C -0.604 175.537 176.117 0.040 0.000 1.057 460 I CA -0.444 60.729 61.300 -0.212 0.000 1.179 460 I CB -0.187 37.749 38.000 -0.107 0.000 1.329 460 I HN 0.285 nan 8.210 nan 0.000 0.478 461 F N 3.563 123.487 119.950 -0.044 0.000 2.377 461 F HA 0.447 4.975 4.527 0.003 0.000 0.335 461 F C 1.706 177.484 175.800 -0.036 0.000 1.099 461 F CA -1.479 56.506 58.000 -0.025 0.000 1.072 461 F CB 0.456 39.455 39.000 -0.002 0.000 1.417 461 F HN 0.199 nan 8.300 nan 0.000 0.495 462 K N -0.412 120.116 120.400 0.212 0.000 2.097 462 K HA 0.051 4.373 4.320 0.002 0.000 0.206 462 K C -0.404 176.249 176.600 0.089 0.000 1.049 462 K CA 1.039 57.384 56.287 0.096 0.000 0.933 462 K CB 0.045 32.577 32.500 0.053 0.000 0.717 462 K HN 0.170 nan 8.250 nan 0.000 0.442 463 V N 2.331 122.332 119.914 0.145 0.000 2.525 463 V HA 0.189 4.310 4.120 0.002 0.000 0.299 463 V C -1.173 175.020 176.094 0.165 0.000 1.034 463 V CA -1.110 61.264 62.300 0.123 0.000 0.863 463 V CB 1.653 33.548 31.823 0.120 0.000 0.999 463 V HN 0.183 nan 8.190 nan 0.000 0.423 464 N N 2.782 121.535 118.700 0.088 0.000 2.392 464 N HA 0.535 5.277 4.740 0.002 0.000 0.283 464 N C -0.358 175.357 175.510 0.343 0.000 1.003 464 N CA -0.179 52.937 53.050 0.110 0.000 0.892 464 N CB 2.315 40.689 38.487 -0.188 0.000 1.193 464 N HN 0.596 nan 8.380 nan 0.000 0.487 465 S N 0.549 116.489 115.700 0.400 0.000 2.795 465 S HA 0.373 4.844 4.470 0.002 0.000 0.308 465 S C 0.965 175.762 174.600 0.329 0.000 1.098 465 S CA -0.583 57.947 58.200 0.550 0.000 0.934 465 S CB 0.450 63.895 63.200 0.407 0.000 1.300 465 S HN 0.443 nan 8.310 nan 0.000 0.566 466 F N 2.040 121.800 119.950 -0.317 0.000 2.091 466 F HA -0.122 4.406 4.527 0.002 0.000 0.299 466 F C 1.948 177.437 175.800 -0.518 0.000 1.103 466 F CA 2.519 59.890 58.000 -1.048 0.000 1.228 466 F CB -0.508 37.611 39.000 -1.469 0.000 0.984 466 F HN 0.634 nan 8.300 nan 0.000 0.477 467 E N -0.068 119.929 120.200 -0.339 0.000 2.110 467 E HA -0.231 4.121 4.350 0.002 0.000 0.193 467 E C 2.072 178.512 176.600 -0.267 0.000 0.988 467 E CA 1.435 57.638 56.400 -0.328 0.000 0.804 467 E CB -0.349 29.300 29.700 -0.084 0.000 0.745 467 E HN 0.434 nan 8.360 nan 0.000 0.458 468 Q N -0.035 119.702 119.800 -0.104 0.000 2.084 468 Q HA -0.095 4.247 4.340 0.002 0.000 0.202 468 Q C 2.070 178.070 176.000 -0.001 0.000 0.978 468 Q CA 0.800 56.575 55.803 -0.045 0.000 0.844 468 Q CB -0.361 28.390 28.738 0.023 0.000 0.898 468 Q HN 0.247 nan 8.270 nan 0.000 0.426 469 L N -0.305 120.876 121.223 -0.069 0.000 2.046 469 L HA -0.189 4.152 4.340 0.002 0.000 0.208 469 L C 1.922 178.626 176.870 -0.277 0.000 1.077 469 L CA 1.690 56.392 54.840 -0.229 0.000 0.747 469 L CB -0.802 40.924 42.059 -0.556 0.000 0.896 469 L HN 0.296 nan 8.230 nan 0.000 0.432 470 C N -0.639 118.289 119.300 -0.621 0.000 2.413 470 C HA -0.192 4.270 4.460 0.002 0.000 0.277 470 C C 2.682 177.478 174.990 -0.322 0.000 1.228 470 C CA 1.085 59.606 59.018 -0.829 0.000 1.731 470 C CB -1.027 25.784 27.740 -1.548 0.000 2.042 470 C HN 0.678 nan 8.230 nan 0.000 0.468 471 I N 1.781 122.205 120.570 -0.243 0.000 2.286 471 I HA -0.144 4.028 4.170 0.002 0.000 0.248 471 I C 1.944 177.985 176.117 -0.127 0.000 1.115 471 I CA 1.684 62.917 61.300 -0.111 0.000 1.392 471 I CB -0.536 37.400 38.000 -0.107 0.000 1.065 471 I HN 0.310 nan 8.210 nan 0.000 0.418 472 N N -0.698 117.955 118.700 -0.078 0.000 2.270 472 N HA -0.212 4.529 4.740 0.002 0.000 0.181 472 N C 1.790 177.368 175.510 0.114 0.000 1.016 472 N CA 1.145 54.164 53.050 -0.052 0.000 0.870 472 N CB -0.581 37.835 38.487 -0.119 0.000 0.979 472 N HN 0.466 nan 8.380 nan 0.000 0.431 473 Y N 2.199 122.526 120.300 0.045 0.000 2.114 473 Y HA -0.141 4.410 4.550 0.002 0.000 0.284 473 Y C 2.171 178.102 175.900 0.052 0.000 1.143 473 Y CA 1.476 59.642 58.100 0.111 0.000 1.135 473 Y CB -0.917 37.578 38.460 0.059 0.000 0.980 473 Y HN -0.039 nan 8.280 nan 0.000 0.499 474 T N 1.489 115.966 114.554 -0.128 0.000 2.665 474 T HA -0.226 4.126 4.350 0.002 0.000 0.268 474 T C 1.781 176.316 174.700 -0.275 0.000 1.035 474 T CA 1.712 63.638 62.100 -0.290 0.000 1.151 474 T CB -0.388 68.358 68.868 -0.203 0.000 0.862 474 T HN 0.452 nan 8.240 nan 0.000 0.438 475 N N 0.590 119.076 118.700 -0.357 0.000 2.223 475 N HA -0.101 4.640 4.740 0.002 0.000 0.185 475 N C 1.902 177.191 175.510 -0.369 0.000 1.016 475 N CA 0.839 53.503 53.050 -0.644 0.000 0.863 475 N CB -0.107 37.484 38.487 -1.495 0.000 0.983 475 N HN 0.391 nan 8.380 nan 0.000 0.429 476 E N 1.312 121.515 120.200 0.006 0.000 2.072 476 E HA -0.075 4.276 4.350 0.002 0.000 0.191 476 E C 1.805 178.484 176.600 0.130 0.000 0.985 476 E CA 0.778 57.344 56.400 0.276 0.000 0.801 476 E CB -0.043 29.887 29.700 0.383 0.000 0.750 476 E HN 0.352 nan 8.360 nan 0.000 0.452 477 K N 0.333 120.743 120.400 0.018 0.000 2.057 477 K HA -0.042 4.280 4.320 0.002 0.000 0.207 477 K C 2.336 178.964 176.600 0.047 0.000 1.049 477 K CA 0.757 57.043 56.287 -0.002 0.000 0.931 477 K CB -0.117 32.299 32.500 -0.139 0.000 0.714 477 K HN 0.077 nan 8.250 nan 0.000 0.440 478 L N 0.564 121.775 121.223 -0.020 0.000 2.046 478 L HA -0.216 4.125 4.340 0.002 0.000 0.208 478 L C 2.673 179.665 176.870 0.204 0.000 1.077 478 L CA 1.092 55.981 54.840 0.080 0.000 0.747 478 L CB -0.379 41.674 42.059 -0.011 0.000 0.896 478 L HN 0.214 nan 8.230 nan 0.000 0.432 479 Q N 0.463 120.309 119.800 0.077 0.000 2.079 479 Q HA -0.263 4.078 4.340 0.002 0.000 0.200 479 Q C 2.151 178.236 176.000 0.142 0.000 0.974 479 Q CA 1.841 57.666 55.803 0.036 0.000 0.840 479 Q CB -0.202 28.400 28.738 -0.227 0.000 0.898 479 Q HN 0.471 nan 8.270 nan 0.000 0.430 480 Q N -1.117 118.784 119.800 0.168 0.000 2.119 480 Q HA -0.180 4.162 4.340 0.002 0.000 0.201 480 Q C 1.916 178.086 176.000 0.283 0.000 0.972 480 Q CA 1.384 57.310 55.803 0.205 0.000 0.847 480 Q CB -0.374 28.468 28.738 0.174 0.000 0.903 480 Q HN 0.525 nan 8.270 nan 0.000 0.433 481 F N 0.466 120.509 119.950 0.154 0.000 2.095 481 F HA -0.261 4.268 4.527 0.003 0.000 0.298 481 F C 1.815 177.754 175.800 0.230 0.000 1.104 481 F CA 1.757 59.877 58.000 0.200 0.000 1.232 481 F CB -0.378 38.727 39.000 0.176 0.000 0.987 481 F HN 0.235 nan 8.300 nan 0.000 0.475 482 F N 1.512 121.551 119.950 0.149 0.000 2.046 482 F HA -0.281 4.248 4.527 0.003 0.000 0.297 482 F C 2.313 178.048 175.800 -0.109 0.000 1.123 482 F CA 2.216 60.095 58.000 -0.202 0.000 1.199 482 F CB -0.807 37.967 39.000 -0.378 0.000 0.972 482 F HN -0.083 nan 8.300 nan 0.000 0.474 483 N N -0.475 118.295 118.700 0.118 0.000 2.166 483 N HA -0.233 4.508 4.740 0.002 0.000 0.186 483 N C 1.805 177.351 175.510 0.059 0.000 1.019 483 N CA 1.606 54.714 53.050 0.096 0.000 0.856 483 N CB -0.777 37.864 38.487 0.257 0.000 0.993 483 N HN 0.444 nan 8.380 nan 0.000 0.426 484 H N -0.227 118.848 119.070 0.007 0.000 2.353 484 H HA -0.083 4.475 4.556 0.002 0.000 0.300 484 H C 2.002 177.321 175.328 -0.014 0.000 1.090 484 H CA 1.924 58.009 56.048 0.062 0.000 1.327 484 H CB -0.292 29.504 29.762 0.056 0.000 1.383 484 H HN 0.305 nan 8.280 nan 0.000 0.508 485 H N -0.398 118.455 119.070 -0.362 0.000 2.352 485 H HA -0.130 4.428 4.556 0.003 0.000 0.299 485 H C 2.421 177.472 175.328 -0.461 0.000 1.097 485 H CA 2.032 57.793 56.048 -0.478 0.000 1.311 485 H CB -0.320 29.104 29.762 -0.562 0.000 1.377 485 H HN 0.384 nan 8.280 nan 0.000 0.504 486 M N -0.878 118.383 119.600 -0.565 0.000 2.296 486 M HA -0.135 4.347 4.480 0.002 0.000 0.265 486 M C 1.243 177.398 176.300 -0.242 0.000 1.064 486 M CA 1.107 56.098 55.300 -0.515 0.000 1.109 486 M CB -0.154 32.057 32.600 -0.649 0.000 1.396 486 M HN 0.357 nan 8.290 nan 0.000 0.430 487 F N 1.250 121.007 119.950 -0.322 0.000 2.771 487 F HA -0.033 4.495 4.527 0.002 0.000 0.299 487 F C 1.274 176.905 175.800 -0.281 0.000 1.177 487 F CA 0.957 58.825 58.000 -0.220 0.000 1.450 487 F CB -0.170 38.718 39.000 -0.185 0.000 1.114 487 F HN 0.100 nan 8.300 nan 0.000 0.587 488 K N -0.706 119.385 120.400 -0.515 0.000 2.354 488 K HA 0.159 4.481 4.320 0.002 0.000 0.210 488 K C 1.971 178.328 176.600 -0.405 0.000 1.184 488 K CA 0.296 56.258 56.287 -0.542 0.000 0.880 488 K CB -0.174 32.016 32.500 -0.516 0.000 1.328 488 K HN 0.134 nan 8.250 nan 0.000 0.466 489 L N 2.038 122.978 121.223 -0.472 0.000 2.021 489 L HA -0.227 4.115 4.340 0.002 0.000 0.215 489 L C 2.404 179.158 176.870 -0.192 0.000 1.074 489 L CA 1.540 56.178 54.840 -0.337 0.000 0.760 489 L CB -0.564 41.254 42.059 -0.403 0.000 0.889 489 L HN 0.311 nan 8.230 nan 0.000 0.433 490 E N -0.083 120.010 120.200 -0.179 0.000 2.047 490 E HA -0.202 4.149 4.350 0.002 0.000 0.191 490 E C 2.163 178.729 176.600 -0.056 0.000 0.987 490 E CA 0.978 57.336 56.400 -0.070 0.000 0.799 490 E CB -0.199 29.494 29.700 -0.013 0.000 0.752 490 E HN 0.538 nan 8.360 nan 0.000 0.449 491 Q N 0.388 120.107 119.800 -0.135 0.000 2.045 491 Q HA -0.205 4.137 4.340 0.002 0.000 0.206 491 Q C 1.280 177.236 176.000 -0.074 0.000 0.991 491 Q CA 1.728 57.450 55.803 -0.135 0.000 0.851 491 Q CB -0.325 28.249 28.738 -0.274 0.000 0.911 491 Q HN 0.443 nan 8.270 nan 0.000 0.418 492 E N 0.295 120.448 120.200 -0.079 0.000 2.441 492 E HA 0.036 4.388 4.350 0.002 0.000 0.210 492 E C 1.219 177.904 176.600 0.140 0.000 1.306 492 E CA 0.535 56.939 56.400 0.007 0.000 1.307 492 E CB -0.320 29.367 29.700 -0.021 0.000 1.297 492 E HN 0.358 nan 8.360 nan 0.000 0.440 493 E N 1.503 121.766 120.200 0.107 0.000 2.108 493 E HA -0.173 4.179 4.350 0.002 0.000 0.203 493 E C 0.466 177.218 176.600 0.253 0.000 1.022 493 E CA 2.127 58.608 56.400 0.135 0.000 0.823 493 E CB -0.650 29.127 29.700 0.130 0.000 0.744 493 E HN 0.647 nan 8.360 nan 0.000 0.456 505 D N 6.303 125.970 120.400 -1.221 0.000 2.396 505 D HA 0.319 4.961 4.640 0.002 0.000 0.225 505 D C 0.602 176.581 176.300 -0.536 0.000 1.121 505 D CA -0.161 52.996 54.000 -1.405 0.000 0.853 505 D CB 0.411 40.276 40.800 -1.558 0.000 1.043 505 D HN 0.370 nan 8.370 nan 0.000 0.500 506 F N 2.180 121.994 119.950 -0.225 0.000 2.333 506 F HA 0.069 4.598 4.527 0.002 0.000 0.300 506 F C 2.593 178.410 175.800 0.029 0.000 1.083 506 F CA 0.928 58.906 58.000 -0.037 0.000 1.395 506 F CB -0.326 38.705 39.000 0.052 0.000 1.056 506 F HN 0.563 nan 8.300 nan 0.000 0.529 507 G N 0.262 109.167 108.800 0.176 0.000 2.527 507 G HA2 -0.174 3.787 3.960 0.002 0.000 0.219 507 G HA3 -0.174 3.787 3.960 0.002 0.000 0.219 507 G C 1.653 176.606 174.900 0.089 0.000 1.117 507 G CA 0.344 45.542 45.100 0.162 0.000 0.759 507 G HN 0.218 nan 8.290 nan 0.000 0.556 508 L N 0.875 122.115 121.223 0.027 0.000 2.141 508 L HA -0.041 4.300 4.340 0.002 0.000 0.209 508 L C 2.259 179.157 176.870 0.046 0.000 1.094 508 L CA 1.509 56.349 54.840 -0.001 0.000 0.763 508 L CB -0.862 41.153 42.059 -0.073 0.000 0.908 508 L HN 0.168 nan 8.230 nan 0.000 0.437 509 D N -0.049 120.405 120.400 0.090 0.000 2.158 509 D HA -0.145 4.496 4.640 0.002 0.000 0.197 509 D C 2.080 178.479 176.300 0.164 0.000 0.995 509 D CA 1.397 55.482 54.000 0.142 0.000 0.846 509 D CB -0.002 40.931 40.800 0.223 0.000 0.941 509 D HN 0.240 nan 8.370 nan 0.000 0.456 510 S N 0.125 115.937 115.700 0.186 0.000 2.593 510 S HA -0.042 4.430 4.470 0.002 0.000 0.217 510 S C 1.655 176.348 174.600 0.155 0.000 0.966 510 S CA 0.003 58.325 58.200 0.203 0.000 0.914 510 S CB 0.314 63.651 63.200 0.227 0.000 0.776 510 S HN 0.098 nan 8.310 nan 0.000 0.523 511 Q N 2.648 122.516 119.800 0.114 0.000 2.084 511 Q HA 0.001 4.343 4.340 0.002 0.000 0.202 511 Q C 2.163 178.213 176.000 0.084 0.000 0.978 511 Q CA 1.783 57.642 55.803 0.092 0.000 0.844 511 Q CB -0.677 28.098 28.738 0.063 0.000 0.898 511 Q HN 0.556 nan 8.270 nan 0.000 0.426 512 A N -0.990 121.875 122.820 0.075 0.000 1.902 512 A HA -0.186 4.135 4.320 0.002 0.000 0.217 512 A C 2.291 179.903 177.584 0.045 0.000 1.181 512 A CA 1.991 54.061 52.037 0.054 0.000 0.623 512 A CB -0.998 18.032 19.000 0.049 0.000 0.818 512 A HN 0.462 nan 8.150 nan 0.000 0.443 513 T N 0.246 114.842 114.554 0.071 0.000 2.777 513 T HA -0.054 4.297 4.350 0.002 0.000 0.266 513 T C 1.803 176.547 174.700 0.074 0.000 1.040 513 T CA 1.384 63.514 62.100 0.051 0.000 1.141 513 T CB -0.397 68.523 68.868 0.087 0.000 0.868 513 T HN 0.420 nan 8.240 nan 0.000 0.444 514 I N 1.463 122.116 120.570 0.139 0.000 2.127 514 I HA -0.221 3.951 4.170 0.002 0.000 0.241 514 I C 2.305 178.479 176.117 0.095 0.000 1.075 514 I CA 1.353 62.763 61.300 0.184 0.000 1.334 514 I CB -0.417 37.709 38.000 0.210 0.000 1.040 514 I HN 0.161 nan 8.210 nan 0.000 0.405 515 D N 0.659 121.097 120.400 0.063 0.000 2.144 515 D HA -0.170 4.471 4.640 0.002 0.000 0.199 515 D C 2.018 178.296 176.300 -0.037 0.000 0.984 515 D CA 1.025 55.040 54.000 0.026 0.000 0.834 515 D CB -0.335 40.484 40.800 0.032 0.000 0.955 515 D HN 0.208 nan 8.370 nan 0.000 0.465 516 L N 0.496 121.673 121.223 -0.076 0.000 2.079 516 L HA -0.130 4.212 4.340 0.002 0.000 0.210 516 L C 1.926 178.649 176.870 -0.246 0.000 1.081 516 L CA 1.358 56.067 54.840 -0.218 0.000 0.752 516 L CB -0.321 41.610 42.059 -0.213 0.000 0.896 516 L HN -0.054 nan 8.230 nan 0.000 0.433 517 I N 0.012 120.486 120.570 -0.159 0.000 2.206 517 I HA -0.164 4.008 4.170 0.002 0.000 0.239 517 I C 1.821 177.786 176.117 -0.254 0.000 1.078 517 I CA 1.559 62.726 61.300 -0.221 0.000 1.367 517 I CB -0.423 37.396 38.000 -0.302 0.000 1.078 517 I HN 0.410 nan 8.210 nan 0.000 0.413 518 D N 0.306 120.569 120.400 -0.228 0.000 2.369 518 D HA 0.072 4.714 4.640 0.002 0.000 0.211 518 D C 1.120 177.404 176.300 -0.027 0.000 1.077 518 D CA 0.003 53.910 54.000 -0.157 0.000 0.842 518 D CB -0.574 40.141 40.800 -0.141 0.000 0.947 518 D HN 0.119 nan 8.370 nan 0.000 0.509 519 G N 0.520 109.312 108.800 -0.013 0.000 2.464 519 G HA2 -0.052 3.910 3.960 0.002 0.000 0.231 519 G HA3 -0.052 3.910 3.960 0.002 0.000 0.231 519 G C 0.770 175.689 174.900 0.031 0.000 1.267 519 G CA -0.427 44.687 45.100 0.023 0.000 0.863 519 G HN 0.017 nan 8.290 nan 0.000 0.559 520 R N -0.103 120.421 120.500 0.041 0.000 2.103 520 R HA 0.125 4.466 4.340 0.002 0.000 0.212 520 R C 0.181 176.507 176.300 0.043 0.000 1.107 520 R CA 0.786 56.910 56.100 0.040 0.000 1.025 520 R CB 0.296 30.621 30.300 0.041 0.000 0.929 520 R HN 0.514 nan 8.270 nan 0.000 0.456 521 Q N 1.026 120.854 119.800 0.047 0.000 2.309 521 Q HA 0.328 4.670 4.340 0.002 0.000 0.254 521 Q C -2.320 173.713 176.000 0.054 0.000 0.938 521 Q CA -1.536 54.297 55.803 0.050 0.000 0.789 521 Q CB 2.435 31.197 28.738 0.040 0.000 1.313 521 Q HN 0.160 nan 8.270 nan 0.000 0.438 522 P HA 0.265 nan 4.420 nan 0.000 0.270 522 P C -2.600 174.756 177.300 0.095 0.000 1.223 522 P CA -1.062 62.091 63.100 0.089 0.000 0.785 522 P CB -0.281 31.490 31.700 0.119 0.000 0.923 523 P HA 0.159 nan 4.420 nan 0.000 0.271 523 P C 0.236 177.614 177.300 0.130 0.000 1.216 523 P CA 0.187 63.321 63.100 0.056 0.000 0.776 523 P CB 0.755 32.446 31.700 -0.015 0.000 0.881 524 G N 1.274 110.123 108.800 0.081 0.000 2.671 524 G HA2 0.355 4.316 3.960 0.002 0.000 0.275 524 G HA3 0.355 4.316 3.960 0.002 0.000 0.275 524 G C 1.060 175.992 174.900 0.054 0.000 1.368 524 G CA -0.884 44.242 45.100 0.042 0.000 1.044 524 G HN 0.354 nan 8.290 nan 0.000 0.543 525 I N -0.142 120.377 120.570 -0.085 0.000 2.163 525 I HA -0.186 3.985 4.170 0.002 0.000 0.243 525 I C 2.670 178.814 176.117 0.046 0.000 1.085 525 I CA 1.091 62.393 61.300 0.003 0.000 1.347 525 I CB -0.285 37.694 38.000 -0.035 0.000 1.044 525 I HN 0.287 nan 8.210 nan 0.000 0.408 526 L N 0.488 121.719 121.223 0.013 0.000 2.046 526 L HA -0.201 4.140 4.340 0.002 0.000 0.208 526 L C 2.865 179.760 176.870 0.043 0.000 1.077 526 L CA 1.329 56.199 54.840 0.050 0.000 0.747 526 L CB -0.921 41.143 42.059 0.009 0.000 0.896 526 L HN 0.253 nan 8.230 nan 0.000 0.432 527 A N 0.361 123.194 122.820 0.021 0.000 1.902 527 A HA -0.136 4.185 4.320 0.002 0.000 0.217 527 A C 2.283 179.868 177.584 0.001 0.000 1.181 527 A CA 1.397 53.445 52.037 0.019 0.000 0.623 527 A CB -0.656 18.350 19.000 0.011 0.000 0.818 527 A HN 0.364 nan 8.150 nan 0.000 0.443 528 L N -1.055 120.152 121.223 -0.028 0.000 2.093 528 L HA -0.146 4.195 4.340 0.002 0.000 0.208 528 L C 2.535 179.393 176.870 -0.020 0.000 1.085 528 L CA 1.012 55.804 54.840 -0.080 0.000 0.755 528 L CB -0.554 41.389 42.059 -0.194 0.000 0.904 528 L HN 0.476 nan 8.230 nan 0.000 0.435 529 L N 0.069 121.306 121.223 0.024 0.000 1.994 529 L HA -0.233 4.108 4.340 0.002 0.000 0.208 529 L C 2.041 178.934 176.870 0.038 0.000 1.071 529 L CA 1.967 56.837 54.840 0.051 0.000 0.745 529 L CB -0.723 41.393 42.059 0.095 0.000 0.892 529 L HN 0.169 nan 8.230 nan 0.000 0.431 530 D N -0.409 120.015 120.400 0.040 0.000 2.123 530 D HA -0.253 4.389 4.640 0.002 0.000 0.196 530 D C 2.067 178.409 176.300 0.069 0.000 0.992 530 D CA 1.579 55.606 54.000 0.046 0.000 0.833 530 D CB -0.049 40.781 40.800 0.050 0.000 0.954 530 D HN 0.632 nan 8.370 nan 0.000 0.455 531 E N 0.444 120.687 120.200 0.072 0.000 2.058 531 E HA -0.215 4.136 4.350 0.002 0.000 0.194 531 E C 1.956 178.683 176.600 0.211 0.000 0.997 531 E CA 1.130 57.604 56.400 0.124 0.000 0.801 531 E CB 0.071 29.810 29.700 0.065 0.000 0.746 531 E HN 0.155 nan 8.360 nan 0.000 0.450 532 Q N 0.101 119.978 119.800 0.129 0.000 2.181 532 Q HA -0.114 4.228 4.340 0.002 0.000 0.205 532 Q C 2.338 178.474 176.000 0.226 0.000 0.980 532 Q CA 1.510 57.411 55.803 0.164 0.000 0.862 532 Q CB -0.041 28.735 28.738 0.063 0.000 0.905 532 Q HN 0.278 nan 8.270 nan 0.000 0.429 533 S N 0.376 116.155 115.700 0.131 0.000 2.474 533 S HA -0.057 4.415 4.470 0.002 0.000 0.235 533 S C 2.046 176.661 174.600 0.025 0.000 0.997 533 S CA 0.627 58.869 58.200 0.071 0.000 0.949 533 S CB -0.041 63.173 63.200 0.024 0.000 0.766 533 S HN 0.142 nan 8.310 nan 0.000 0.517 534 V N 0.481 120.395 119.914 0.000 0.000 2.667 534 V HA 0.014 4.135 4.120 0.002 0.000 0.252 534 V C 0.359 176.053 176.094 -0.666 0.000 1.065 534 V CA 0.897 62.995 62.300 -0.337 0.000 1.083 534 V CB -0.727 30.810 31.823 -0.477 0.000 0.692 534 V HN 0.403 nan 8.190 nan 0.000 0.468 535 F N 1.436 121.390 119.950 0.006 0.000 2.390 535 F HA 0.336 4.865 4.527 0.002 0.000 0.361 535 F C -0.904 174.899 175.800 0.005 0.000 1.124 535 F CA -2.409 55.594 58.000 0.005 0.000 1.149 535 F CB 0.417 39.418 39.000 0.001 0.000 1.160 535 F HN 0.010 nan 8.300 nan 0.000 0.501 536 P HA -0.176 nan 4.420 nan 0.000 0.218 536 P C 0.678 178.020 177.300 0.071 0.000 1.148 536 P CA 1.376 64.501 63.100 0.043 0.000 0.822 536 P CB 0.287 31.997 31.700 0.018 0.000 0.784 537 N N -0.693 118.070 118.700 0.105 0.000 2.314 537 N HA 0.167 4.909 4.740 0.002 0.000 0.200 537 N C 0.545 176.104 175.510 0.081 0.000 1.135 537 N CA -0.005 53.094 53.050 0.081 0.000 0.835 537 N CB -0.100 38.431 38.487 0.073 0.000 0.989 537 N HN 0.113 nan 8.380 nan 0.000 0.478 538 A N 0.561 123.447 122.820 0.110 0.000 2.332 538 A HA 0.494 4.815 4.320 0.002 0.000 0.258 538 A C 0.868 178.481 177.584 0.048 0.000 1.087 538 A CA -0.096 51.989 52.037 0.080 0.000 0.802 538 A CB 0.310 19.372 19.000 0.103 0.000 1.042 538 A HN 0.256 nan 8.150 nan 0.000 0.489 539 T N -2.133 112.436 114.554 0.025 0.000 2.887 539 T HA 0.455 4.806 4.350 0.002 0.000 0.292 539 T C 0.085 174.785 174.700 0.001 0.000 1.087 539 T CA -0.344 61.766 62.100 0.016 0.000 1.009 539 T CB 1.167 70.041 68.868 0.010 0.000 1.203 539 T HN 0.413 nan 8.240 nan 0.000 0.518 540 D N 0.692 121.091 120.400 -0.002 0.000 2.133 540 D HA -0.183 4.458 4.640 0.002 0.000 0.195 540 D C 1.814 178.086 176.300 -0.047 0.000 0.997 540 D CA 1.345 55.328 54.000 -0.029 0.000 0.840 540 D CB -0.293 40.492 40.800 -0.025 0.000 0.947 540 D HN 0.688 nan 8.370 nan 0.000 0.452 541 N N 0.252 118.937 118.700 -0.024 0.000 2.120 541 N HA -0.136 4.606 4.740 0.002 0.000 0.188 541 N C 1.612 177.103 175.510 -0.032 0.000 1.024 541 N CA 1.424 54.463 53.050 -0.020 0.000 0.852 541 N CB -0.022 38.465 38.487 -0.001 0.000 1.003 541 N HN 0.037 nan 8.380 nan 0.000 0.424 542 T N 1.673 116.209 114.554 -0.031 0.000 2.708 542 T HA -0.122 4.230 4.350 0.002 0.000 0.266 542 T C 1.908 176.571 174.700 -0.062 0.000 1.037 542 T CA 0.997 63.072 62.100 -0.041 0.000 1.146 542 T CB -0.280 68.570 68.868 -0.030 0.000 0.865 542 T HN 0.167 nan 8.240 nan 0.000 0.435 543 L N 1.039 122.224 121.223 -0.064 0.000 1.976 543 L HA 0.025 4.367 4.340 0.002 0.000 0.209 543 L C 2.235 179.010 176.870 -0.158 0.000 1.071 543 L CA 1.637 56.421 54.840 -0.093 0.000 0.746 543 L CB -0.884 41.131 42.059 -0.073 0.000 0.890 543 L HN 0.255 nan 8.230 nan 0.000 0.432 544 I N -0.912 119.550 120.570 -0.180 0.000 2.264 544 I HA -0.295 3.877 4.170 0.002 0.000 0.248 544 I C 2.140 178.061 176.117 -0.326 0.000 1.111 544 I CA 1.980 63.103 61.300 -0.296 0.000 1.382 544 I CB -0.389 37.470 38.000 -0.235 0.000 1.060 544 I HN 0.374 nan 8.210 nan 0.000 0.418 545 T N 0.300 114.775 114.554 -0.132 0.000 2.746 545 T HA -0.239 4.112 4.350 0.002 0.000 0.267 545 T C 1.927 176.590 174.700 -0.062 0.000 1.039 545 T CA 1.717 63.797 62.100 -0.032 0.000 1.142 545 T CB -0.243 68.624 68.868 -0.002 0.000 0.866 545 T HN 0.351 nan 8.240 nan 0.000 0.444 546 K N 0.710 121.052 120.400 -0.097 0.000 2.057 546 K HA -0.024 4.298 4.320 0.002 0.000 0.207 546 K C 2.174 178.689 176.600 -0.142 0.000 1.049 546 K CA 0.999 57.237 56.287 -0.081 0.000 0.931 546 K CB -0.270 32.175 32.500 -0.091 0.000 0.714 546 K HN 0.292 nan 8.250 nan 0.000 0.440 547 L N 0.068 121.151 121.223 -0.232 0.000 1.994 547 L HA -0.227 4.114 4.340 0.002 0.000 0.208 547 L C 2.571 179.279 176.870 -0.270 0.000 1.071 547 L CA 1.234 55.908 54.840 -0.277 0.000 0.745 547 L CB -0.896 40.984 42.059 -0.299 0.000 0.892 547 L HN 0.334 nan 8.230 nan 0.000 0.431 548 H N -0.889 118.152 119.070 -0.048 0.000 2.353 548 H HA -0.147 4.410 4.556 0.002 0.000 0.300 548 H C 2.637 177.871 175.328 -0.157 0.000 1.090 548 H CA 1.540 57.585 56.048 -0.007 0.000 1.327 548 H CB -0.423 29.393 29.762 0.090 0.000 1.383 548 H HN 0.214 nan 8.280 nan 0.000 0.508 549 S N -0.199 115.479 115.700 -0.038 0.000 2.374 549 S HA -0.197 4.274 4.470 0.002 0.000 0.227 549 S C 1.811 176.224 174.600 -0.312 0.000 1.037 549 S CA 1.472 59.588 58.200 -0.141 0.000 1.024 549 S CB -0.116 63.005 63.200 -0.132 0.000 0.861 549 S HN 0.544 nan 8.310 nan 0.000 0.456 550 H N -1.501 117.205 119.070 -0.606 0.000 2.497 550 H HA 0.269 4.826 4.556 0.002 0.000 0.282 550 H C 1.035 175.805 175.328 -0.930 0.000 1.003 550 H CA 1.180 56.719 56.048 -0.849 0.000 1.307 550 H CB 0.086 29.030 29.762 -1.363 0.000 1.437 550 H HN 0.510 nan 8.280 nan 0.000 0.544 551 F N -1.713 118.058 119.950 -0.298 0.000 2.784 551 F HA 0.221 4.750 4.527 0.002 0.000 0.323 551 F C 0.971 176.571 175.800 -0.332 0.000 1.085 551 F CA -0.360 57.354 58.000 -0.477 0.000 1.196 551 F CB 0.566 38.886 39.000 -1.134 0.000 1.053 551 F HN -0.195 nan 8.300 nan 0.000 0.578 552 S N 2.158 117.827 115.700 -0.052 0.000 2.481 552 S HA 0.097 4.568 4.470 0.002 0.000 0.282 552 S C 0.895 175.555 174.600 0.100 0.000 1.243 552 S CA 0.002 58.314 58.200 0.187 0.000 1.078 552 S CB -0.066 63.244 63.200 0.182 0.000 0.916 552 S HN 0.310 nan 8.310 nan 0.000 0.495 553 K N 2.758 123.237 120.400 0.132 0.000 3.472 553 K HA -0.165 4.157 4.320 0.002 0.000 0.315 553 K C 0.555 177.193 176.600 0.064 0.000 1.320 553 K CA 1.921 58.254 56.287 0.077 0.000 0.962 553 K CB -1.621 30.900 32.500 0.036 0.000 1.251 553 K HN 0.769 nan 8.250 nan 0.000 0.443 554 K N -0.344 120.102 120.400 0.077 0.000 2.387 554 K HA 0.098 4.420 4.320 0.002 0.000 0.197 554 K C 0.623 177.285 176.600 0.103 0.000 1.127 554 K CA -0.059 56.263 56.287 0.059 0.000 0.950 554 K CB 0.339 32.846 32.500 0.012 0.000 1.017 554 K HN 0.062 nan 8.250 nan 0.000 0.519 555 N N 0.561 119.354 118.700 0.154 0.000 2.443 555 N HA 0.197 4.938 4.740 0.002 0.000 0.269 555 N C 0.029 175.626 175.510 0.144 0.000 0.985 555 N CA -0.028 53.111 53.050 0.149 0.000 0.921 555 N CB 1.869 40.452 38.487 0.160 0.000 1.195 555 N HN 0.054 nan 8.380 nan 0.000 0.492 556 A N 3.778 126.658 122.820 0.100 0.000 2.131 556 A HA -0.102 4.220 4.320 0.002 0.000 0.220 556 A C 1.518 179.155 177.584 0.088 0.000 1.158 556 A CA 1.231 53.320 52.037 0.086 0.000 0.665 556 A CB -0.045 18.990 19.000 0.058 0.000 0.795 556 A HN 0.593 nan 8.150 nan 0.000 0.460 557 K N -1.887 118.568 120.400 0.092 0.000 2.374 557 K HA 0.170 4.491 4.320 0.002 0.000 0.196 557 K C -0.464 176.208 176.600 0.119 0.000 1.023 557 K CA -0.028 56.300 56.287 0.068 0.000 1.103 557 K CB -0.074 32.441 32.500 0.025 0.000 0.848 557 K HN 0.612 nan 8.250 nan 0.000 0.528 558 Y N 0.979 121.303 120.300 0.040 0.000 2.457 558 Y HA 0.313 4.865 4.550 0.002 0.000 0.333 558 Y C -0.784 175.192 175.900 0.127 0.000 1.119 558 Y CA -0.933 57.230 58.100 0.105 0.000 1.143 558 Y CB 1.559 40.106 38.460 0.144 0.000 1.230 558 Y HN -0.061 nan 8.280 nan 0.000 0.469 559 E N 4.092 124.190 120.200 -0.171 0.000 2.278 559 E HA 0.179 4.530 4.350 0.002 0.000 0.272 559 E C -1.788 174.720 176.600 -0.153 0.000 0.890 559 E CA -0.741 55.629 56.400 -0.049 0.000 0.770 559 E CB 1.309 30.977 29.700 -0.054 0.000 1.212 559 E HN 0.744 nan 8.360 nan 0.000 0.415 560 E N 5.384 125.622 120.200 0.064 0.000 2.229 560 E HA 0.308 4.659 4.350 0.002 0.000 0.283 560 E C -2.150 174.382 176.600 -0.112 0.000 1.030 560 E CA -2.101 54.282 56.400 -0.029 0.000 0.836 560 E CB 0.791 30.367 29.700 -0.207 0.000 1.068 560 E HN 0.251 nan 8.360 nan 0.000 0.401 561 P HA 0.021 nan 4.420 nan 0.000 0.269 561 P C 0.133 177.300 177.300 -0.222 0.000 1.215 561 P CA -0.108 62.923 63.100 -0.115 0.000 0.780 561 P CB 0.671 32.350 31.700 -0.034 0.000 0.898 562 R N 0.695 120.974 120.500 -0.369 0.000 2.073 562 R HA -0.098 4.244 4.340 0.002 0.000 0.234 562 R C 1.339 177.128 176.300 -0.853 0.000 1.134 562 R CA 1.845 57.502 56.100 -0.739 0.000 0.952 562 R CB -0.376 29.180 30.300 -1.240 0.000 0.850 562 R HN 0.539 nan 8.270 nan 0.000 0.433 563 F N -1.460 118.484 119.950 -0.011 0.000 2.640 563 F HA 0.200 4.729 4.527 0.003 0.000 0.285 563 F C 1.173 176.977 175.800 0.008 0.000 1.031 563 F CA -0.600 57.398 58.000 -0.004 0.000 1.240 563 F CB -0.137 38.862 39.000 -0.002 0.000 1.011 563 F HN -0.212 nan 8.300 nan 0.000 0.656 564 S N 1.444 117.252 115.700 0.179 0.000 2.558 564 S HA 0.025 4.497 4.470 0.002 0.000 0.288 564 S C 1.005 175.678 174.600 0.122 0.000 1.318 564 S CA -0.096 58.182 58.200 0.131 0.000 1.056 564 S CB 0.477 63.736 63.200 0.098 0.000 0.853 564 S HN 0.082 nan 8.310 nan 0.000 0.505 565 K N 2.370 122.841 120.400 0.118 0.000 2.358 565 K HA 0.127 4.448 4.320 0.002 0.000 0.200 565 K C 1.313 177.994 176.600 0.136 0.000 1.030 565 K CA 0.445 56.813 56.287 0.136 0.000 1.097 565 K CB 0.319 32.877 32.500 0.097 0.000 0.862 565 K HN 0.814 nan 8.250 nan 0.000 0.534 566 T N -3.095 111.524 114.554 0.107 0.000 3.043 566 T HA 0.326 4.677 4.350 0.002 0.000 0.272 566 T C 0.276 175.007 174.700 0.050 0.000 0.990 566 T CA -0.393 61.742 62.100 0.058 0.000 0.897 566 T CB 0.731 69.616 68.868 0.029 0.000 1.111 566 T HN -0.078 nan 8.240 nan 0.000 0.529 567 E N 0.802 121.065 120.200 0.105 0.000 2.378 567 E HA 0.733 5.085 4.350 0.002 0.000 0.265 567 E C -1.460 175.260 176.600 0.200 0.000 0.932 567 E CA -1.340 55.097 56.400 0.062 0.000 0.795 567 E CB 2.179 31.883 29.700 0.007 0.000 1.296 567 E HN 0.411 nan 8.360 nan 0.000 0.438 568 F N -2.016 117.947 119.950 0.021 0.000 2.654 568 F HA 0.725 5.253 4.527 0.002 0.000 0.308 568 F C -0.543 175.202 175.800 -0.093 0.000 1.108 568 F CA -1.036 56.924 58.000 -0.067 0.000 0.957 568 F CB 1.077 39.992 39.000 -0.141 0.000 1.309 568 F HN 0.428 nan 8.300 nan 0.000 0.446 569 G N 1.113 109.809 108.800 -0.174 0.000 2.388 569 G HA2 0.616 4.577 3.960 0.002 0.000 0.330 569 G HA3 0.616 4.577 3.960 0.002 0.000 0.330 569 G C -1.965 172.904 174.900 -0.052 0.000 1.142 569 G CA -1.122 43.884 45.100 -0.157 0.000 0.908 569 G HN 0.707 nan 8.290 nan 0.000 0.473 570 V N 1.312 121.254 119.914 0.047 0.000 2.487 570 V HA 0.353 4.475 4.120 0.002 0.000 0.298 570 V C 0.155 176.212 176.094 -0.062 0.000 1.028 570 V CA -0.688 61.633 62.300 0.036 0.000 0.860 570 V CB 1.913 33.781 31.823 0.075 0.000 0.991 570 V HN 0.761 nan 8.190 nan 0.000 0.427 571 T N 5.308 119.815 114.554 -0.078 0.000 2.776 571 T HA 0.303 4.655 4.350 0.002 0.000 0.292 571 T C 0.064 174.722 174.700 -0.071 0.000 0.921 571 T CA -0.001 62.069 62.100 -0.051 0.000 1.038 571 T CB -0.548 68.307 68.868 -0.022 0.000 0.910 571 T HN 0.538 nan 8.240 nan 0.000 0.536 572 H N 1.399 120.468 119.070 -0.002 0.000 2.505 572 H HA 0.108 4.665 4.556 0.002 0.000 0.358 572 H C 0.921 176.193 175.328 -0.093 0.000 1.304 572 H CA -0.594 55.453 56.048 -0.001 0.000 1.393 572 H CB 0.767 30.511 29.762 -0.031 0.000 1.591 572 H HN 0.606 nan 8.280 nan 0.000 0.595 573 Y N 1.272 121.554 120.300 -0.030 0.000 2.165 573 Y HA -0.202 4.349 4.550 0.002 0.000 0.286 573 Y C 2.083 177.816 175.900 -0.280 0.000 1.155 573 Y CA 1.954 59.989 58.100 -0.109 0.000 1.164 573 Y CB -0.258 38.208 38.460 0.010 0.000 0.978 573 Y HN 0.608 nan 8.280 nan 0.000 0.513 574 A N 0.136 122.626 122.820 -0.551 0.000 2.259 574 A HA 0.476 4.797 4.320 0.002 0.000 0.208 574 A C 1.103 178.488 177.584 -0.332 0.000 1.201 574 A CA 0.888 52.618 52.037 -0.513 0.000 0.824 574 A CB -1.297 17.230 19.000 -0.790 0.000 0.838 574 A HN 0.890 nan 8.150 nan 0.000 0.485 575 G N -1.278 107.377 108.800 -0.242 0.000 2.384 575 G HA2 0.020 3.981 3.960 0.002 0.000 0.668 575 G HA3 0.020 3.981 3.960 0.002 0.000 0.668 575 G C -0.515 174.346 174.900 -0.064 0.000 1.280 575 G CA -0.292 44.722 45.100 -0.144 0.000 0.992 575 G HN 0.578 nan 8.290 nan 0.000 0.512 576 Q N -0.806 118.958 119.800 -0.061 0.000 2.332 576 Q HA 0.535 4.877 4.340 0.002 0.000 0.263 576 Q C -0.439 175.519 176.000 -0.069 0.000 0.979 576 Q CA -0.350 55.428 55.803 -0.042 0.000 0.885 576 Q CB 1.041 29.744 28.738 -0.060 0.000 1.218 576 Q HN 0.690 nan 8.270 nan 0.000 0.405 577 V N 5.269 125.142 119.914 -0.068 0.000 2.588 577 V HA 0.368 4.489 4.120 0.002 0.000 0.304 577 V C -0.384 175.434 176.094 -0.459 0.000 1.042 577 V CA -0.816 61.316 62.300 -0.280 0.000 0.877 577 V CB 1.920 33.522 31.823 -0.369 0.000 0.996 577 V HN 0.877 nan 8.190 nan 0.000 0.425 578 M N 4.839 124.164 119.600 -0.459 0.000 2.157 578 M HA 0.523 5.004 4.480 0.002 0.000 0.354 578 M C -1.123 174.857 176.300 -0.532 0.000 1.170 578 M CA -0.258 54.800 55.300 -0.403 0.000 1.060 578 M CB 1.085 33.562 32.600 -0.206 0.000 1.615 578 M HN 0.559 nan 8.290 nan 0.000 0.460 579 Y N 0.670 120.717 120.300 -0.422 0.000 2.468 579 Y HA 0.421 4.973 4.550 0.002 0.000 0.342 579 Y C 0.403 176.107 175.900 -0.327 0.000 1.021 579 Y CA -0.969 56.923 58.100 -0.346 0.000 1.079 579 Y CB 1.411 39.531 38.460 -0.566 0.000 1.226 579 Y HN 0.580 nan 8.280 nan 0.000 0.460 580 E N 1.444 121.686 120.200 0.069 0.000 2.179 580 E HA 0.379 4.731 4.350 0.002 0.000 0.275 580 E C -0.666 175.865 176.600 -0.115 0.000 0.945 580 E CA -0.582 55.823 56.400 0.008 0.000 0.792 580 E CB 1.515 31.260 29.700 0.076 0.000 1.125 580 E HN 0.666 nan 8.360 nan 0.000 0.397 581 I N 2.355 122.726 120.570 -0.332 0.000 3.728 581 I HA -0.036 4.135 4.170 0.002 0.000 0.307 581 I C 0.872 176.742 176.117 -0.411 0.000 1.276 581 I CA 0.294 61.112 61.300 -0.804 0.000 1.285 581 I CB -0.191 37.515 38.000 -0.490 0.000 1.038 581 I HN 0.731 nan 8.210 nan 0.000 0.445 582 Q N 0.965 120.716 119.800 -0.082 0.000 2.315 582 Q HA -0.109 4.232 4.340 0.002 0.000 0.289 582 Q C 0.104 176.239 176.000 0.224 0.000 1.044 582 Q CA 0.910 56.747 55.803 0.057 0.000 0.920 582 Q CB 0.318 29.096 28.738 0.065 0.000 1.214 582 Q HN 0.386 nan 8.270 nan 0.000 0.392 583 D N 2.146 122.647 120.400 0.169 0.000 2.978 583 D HA -0.234 4.407 4.640 0.002 0.000 0.205 583 D C -0.048 176.407 176.300 0.258 0.000 1.093 583 D CA 1.217 55.326 54.000 0.180 0.000 1.006 583 D CB -1.216 39.673 40.800 0.148 0.000 1.116 583 D HN 0.707 nan 8.370 nan 0.000 0.419 584 W N 1.140 122.415 121.300 -0.042 0.000 2.321 584 W HA -0.054 4.608 4.660 0.002 0.000 0.306 584 W C 2.611 179.004 176.519 -0.210 0.000 1.217 584 W CA 0.937 58.192 57.345 -0.150 0.000 1.257 584 W CB -1.131 28.257 29.460 -0.120 0.000 1.145 584 W HN 0.195 nan 8.180 nan 0.000 0.509 585 L N -0.335 120.957 121.223 0.115 0.000 2.042 585 L HA -0.234 4.107 4.340 0.002 0.000 0.210 585 L C 2.398 179.259 176.870 -0.016 0.000 1.076 585 L CA 2.066 56.922 54.840 0.027 0.000 0.749 585 L CB -0.965 41.119 42.059 0.042 0.000 0.893 585 L HN 0.068 nan 8.230 nan 0.000 0.432 586 E N 0.580 120.784 120.200 0.007 0.000 2.107 586 E HA -0.199 4.152 4.350 0.002 0.000 0.191 586 E C 2.134 178.712 176.600 -0.036 0.000 0.982 586 E CA 0.844 57.242 56.400 -0.004 0.000 0.809 586 E CB 0.170 29.881 29.700 0.019 0.000 0.756 586 E HN 0.383 nan 8.360 nan 0.000 0.459 587 K N 0.431 120.792 120.400 -0.066 0.000 2.097 587 K HA -0.137 4.185 4.320 0.002 0.000 0.206 587 K C 2.050 178.529 176.600 -0.201 0.000 1.049 587 K CA 1.377 57.593 56.287 -0.118 0.000 0.933 587 K CB -0.144 32.246 32.500 -0.182 0.000 0.717 587 K HN 0.034 nan 8.250 nan 0.000 0.442 588 N N 1.002 119.512 118.700 -0.316 0.000 2.244 588 N HA -0.118 4.623 4.740 0.002 0.000 0.183 588 N C 1.006 176.454 175.510 -0.102 0.000 1.016 588 N CA 1.357 54.239 53.050 -0.279 0.000 0.866 588 N CB 0.229 38.542 38.487 -0.289 0.000 0.980 588 N HN 0.097 nan 8.380 nan 0.000 0.430 589 K N -0.629 119.729 120.400 -0.071 0.000 2.284 589 K HA 0.074 4.395 4.320 0.002 0.000 0.198 589 K C -0.070 176.508 176.600 -0.037 0.000 1.048 589 K CA 0.358 56.623 56.287 -0.038 0.000 0.987 589 K CB 0.318 32.803 32.500 -0.025 0.000 0.800 589 K HN -0.025 nan 8.250 nan 0.000 0.486 590 D N 1.162 121.542 120.400 -0.033 0.000 2.697 590 D HA -0.095 4.546 4.640 0.002 0.000 0.235 590 D C -2.442 173.838 176.300 -0.033 0.000 1.167 590 D CA 0.029 54.015 54.000 -0.024 0.000 0.656 590 D CB -0.376 40.414 40.800 -0.016 0.000 1.025 590 D HN 0.099 nan 8.370 nan 0.000 0.419 591 P HA 0.362 nan 4.420 nan 0.000 0.271 591 P C -0.541 176.749 177.300 -0.016 0.000 1.218 591 P CA -0.501 62.585 63.100 -0.023 0.000 0.780 591 P CB 0.896 32.590 31.700 -0.011 0.000 0.901 592 L N 1.934 123.149 121.223 -0.014 0.000 2.470 592 L HA 0.275 4.617 4.340 0.002 0.000 0.268 592 L C -0.532 176.348 176.870 0.016 0.000 0.964 592 L CA -0.590 54.253 54.840 0.005 0.000 0.839 592 L CB 1.874 43.941 42.059 0.012 0.000 1.276 592 L HN 0.195 nan 8.230 nan 0.000 0.403 593 Q N 2.358 122.171 119.800 0.021 0.000 2.315 593 Q HA -0.052 4.289 4.340 0.002 0.000 0.289 593 Q C 0.638 176.660 176.000 0.037 0.000 1.044 593 Q CA 0.421 56.238 55.803 0.024 0.000 0.920 593 Q CB 1.266 30.016 28.738 0.020 0.000 1.214 593 Q HN 0.764 nan 8.270 nan 0.000 0.392 594 Q N 2.621 122.443 119.800 0.038 0.000 2.152 594 Q HA -0.215 4.127 4.340 0.002 0.000 0.206 594 Q C 0.603 176.630 176.000 0.045 0.000 0.985 594 Q CA 2.145 57.977 55.803 0.049 0.000 0.863 594 Q CB 0.201 28.967 28.738 0.047 0.000 0.904 594 Q HN 0.566 nan 8.270 nan 0.000 0.422 595 D N -0.307 120.113 120.400 0.033 0.000 2.144 595 D HA -0.140 4.502 4.640 0.002 0.000 0.199 595 D C 1.774 178.094 176.300 0.032 0.000 0.984 595 D CA 0.984 54.999 54.000 0.025 0.000 0.834 595 D CB -0.122 40.687 40.800 0.015 0.000 0.955 595 D HN 0.334 nan 8.370 nan 0.000 0.465 596 L N 0.902 122.154 121.223 0.048 0.000 2.083 596 L HA -0.138 4.203 4.340 0.002 0.000 0.209 596 L C 2.391 179.286 176.870 0.042 0.000 1.083 596 L CA 0.955 55.840 54.840 0.075 0.000 0.752 596 L CB -0.252 41.846 42.059 0.065 0.000 0.899 596 L HN -0.037 nan 8.230 nan 0.000 0.433 597 E N 0.273 120.507 120.200 0.057 0.000 2.077 597 E HA -0.203 4.149 4.350 0.002 0.000 0.193 597 E C 2.340 178.940 176.600 -0.001 0.000 0.989 597 E CA 1.146 57.597 56.400 0.086 0.000 0.800 597 E CB -0.288 29.524 29.700 0.186 0.000 0.746 597 E HN 0.499 nan 8.360 nan 0.000 0.452 598 L N 0.590 121.823 121.223 0.016 0.000 1.970 598 L HA -0.240 4.101 4.340 0.002 0.000 0.212 598 L C 2.977 179.809 176.870 -0.063 0.000 1.071 598 L CA 1.427 56.264 54.840 -0.005 0.000 0.751 598 L CB -0.801 41.260 42.059 0.003 0.000 0.889 598 L HN 0.279 nan 8.230 nan 0.000 0.432 599 C N 0.391 119.647 119.300 -0.075 0.000 2.367 599 C HA -0.280 4.181 4.460 0.002 0.000 0.276 599 C C 2.701 177.505 174.990 -0.311 0.000 1.195 599 C CA 1.120 60.040 59.018 -0.163 0.000 1.756 599 C CB -1.055 26.613 27.740 -0.120 0.000 2.046 599 C HN 0.467 nan 8.230 nan 0.000 0.453 600 F N 0.974 120.640 119.950 -0.472 0.000 2.502 600 F HA 0.079 4.608 4.527 0.003 0.000 0.298 600 F C 2.431 177.937 175.800 -0.490 0.000 1.111 600 F CA 1.295 58.855 58.000 -0.733 0.000 1.445 600 F CB -0.497 37.530 39.000 -1.622 0.000 1.081 600 F HN 0.271 nan 8.300 nan 0.000 0.558 601 K N -0.061 120.251 120.400 -0.146 0.000 2.280 601 K HA -0.161 4.160 4.320 0.002 0.000 0.202 601 K C 0.743 177.352 176.600 0.015 0.000 1.047 601 K CA 1.235 57.546 56.287 0.040 0.000 0.942 601 K CB -0.137 32.402 32.500 0.065 0.000 0.739 601 K HN 0.127 nan 8.250 nan 0.000 0.457 602 D N 0.191 120.559 120.400 -0.053 0.000 2.339 602 D HA 0.018 4.659 4.640 0.002 0.000 0.217 602 D C 0.141 176.402 176.300 -0.065 0.000 1.050 602 D CA 0.211 54.178 54.000 -0.055 0.000 0.856 602 D CB 0.234 40.985 40.800 -0.081 0.000 0.922 602 D HN -0.089 nan 8.370 nan 0.000 0.518 603 S N -0.304 115.355 115.700 -0.068 0.000 2.559 603 S HA 0.001 4.473 4.470 0.002 0.000 0.282 603 S C 1.716 176.312 174.600 -0.006 0.000 1.336 603 S CA 0.131 58.303 58.200 -0.047 0.000 1.037 603 S CB 0.724 63.936 63.200 0.021 0.000 0.853 603 S HN 0.297 nan 8.310 nan 0.000 0.523 604 S N 2.661 118.361 115.700 0.000 0.000 2.362 604 S HA -0.048 4.423 4.470 0.002 0.000 0.221 604 S C 0.532 175.147 174.600 0.025 0.000 1.032 604 S CA 0.537 58.744 58.200 0.011 0.000 0.973 604 S CB -0.738 62.469 63.200 0.011 0.000 0.849 604 S HN 0.865 nan 8.310 nan 0.000 0.465 605 D N 1.844 122.269 120.400 0.042 0.000 2.583 605 D HA 0.032 4.673 4.640 0.002 0.000 0.232 605 D C 0.665 176.981 176.300 0.026 0.000 1.128 605 D CA 0.470 54.497 54.000 0.046 0.000 0.859 605 D CB 0.179 41.028 40.800 0.082 0.000 1.169 605 D HN 0.336 nan 8.370 nan 0.000 0.481 606 N N 1.859 120.565 118.700 0.009 0.000 2.270 606 N HA -0.098 4.644 4.740 0.002 0.000 0.181 606 N C 1.382 176.862 175.510 -0.051 0.000 1.016 606 N CA 0.475 53.525 53.050 -0.000 0.000 0.870 606 N CB 0.292 38.792 38.487 0.022 0.000 0.979 606 N HN 0.215 nan 8.380 nan 0.000 0.431 607 V N 0.046 119.878 119.914 -0.135 0.000 2.331 607 V HA -0.114 4.007 4.120 0.002 0.000 0.242 607 V C 2.205 178.133 176.094 -0.277 0.000 1.034 607 V CA 0.948 63.023 62.300 -0.374 0.000 1.027 607 V CB -0.465 30.986 31.823 -0.620 0.000 0.667 607 V HN 0.078 nan 8.190 nan 0.000 0.457 608 V N 0.017 119.879 119.914 -0.088 0.000 2.277 608 V HA -0.392 3.730 4.120 0.002 0.000 0.253 608 V C 2.608 178.788 176.094 0.143 0.000 1.067 608 V CA 2.877 65.228 62.300 0.085 0.000 1.047 608 V CB -1.111 30.848 31.823 0.227 0.000 0.649 608 V HN 0.604 nan 8.190 nan 0.000 0.447 609 T N -1.042 113.561 114.554 0.083 0.000 2.759 609 T HA -0.174 4.177 4.350 0.002 0.000 0.269 609 T C 1.997 176.745 174.700 0.079 0.000 1.042 609 T CA 1.199 63.362 62.100 0.105 0.000 1.140 609 T CB -0.210 68.696 68.868 0.064 0.000 0.864 609 T HN 0.312 nan 8.240 nan 0.000 0.455 610 K N 1.244 121.641 120.400 -0.006 0.000 2.097 610 K HA 0.085 4.406 4.320 0.002 0.000 0.206 610 K C 2.159 178.740 176.600 -0.032 0.000 1.049 610 K CA 0.856 57.144 56.287 0.001 0.000 0.933 610 K CB -0.770 31.725 32.500 -0.008 0.000 0.717 610 K HN 0.409 nan 8.250 nan 0.000 0.442 611 L N -0.937 120.216 121.223 -0.117 0.000 2.131 611 L HA -0.121 4.221 4.340 0.002 0.000 0.210 611 L C 2.006 178.598 176.870 -0.463 0.000 1.092 611 L CA 1.243 55.923 54.840 -0.268 0.000 0.759 611 L CB -0.386 41.477 42.059 -0.327 0.000 0.903 611 L HN 0.006 nan 8.230 nan 0.000 0.435 612 F N -0.687 119.251 119.950 -0.020 0.000 2.622 612 F HA 0.064 4.593 4.527 0.003 0.000 0.288 612 F C 1.969 177.781 175.800 0.020 0.000 1.120 612 F CA 0.391 58.393 58.000 0.003 0.000 1.423 612 F CB -0.182 38.840 39.000 0.037 0.000 1.127 612 F HN 0.004 nan 8.300 nan 0.000 0.588 613 N N -0.918 117.871 118.700 0.149 0.000 2.392 613 N HA -0.071 4.671 4.740 0.002 0.000 0.177 613 N C -0.071 175.481 175.510 0.071 0.000 1.066 613 N CA 0.194 53.311 53.050 0.111 0.000 0.895 613 N CB 0.206 38.756 38.487 0.105 0.000 0.988 613 N HN -0.050 nan 8.380 nan 0.000 0.457 614 D N 1.157 121.584 120.400 0.046 0.000 2.441 614 D HA 0.123 4.764 4.640 0.002 0.000 0.221 614 D C -1.739 174.578 176.300 0.029 0.000 1.156 614 D CA -2.590 51.435 54.000 0.041 0.000 0.896 614 D CB 1.000 41.832 40.800 0.054 0.000 1.028 614 D HN 0.006 nan 8.370 nan 0.000 0.509 615 P HA -0.191 nan 4.420 nan 0.000 0.218 615 P C 0.714 178.044 177.300 0.049 0.000 1.147 615 P CA 0.918 64.060 63.100 0.070 0.000 0.827 615 P CB 0.291 32.041 31.700 0.083 0.000 0.778 616 N N -1.175 117.542 118.700 0.029 0.000 2.494 616 N HA 0.032 4.774 4.740 0.002 0.000 0.182 616 N C 1.657 177.165 175.510 -0.004 0.000 1.076 616 N CA 0.742 53.800 53.050 0.015 0.000 0.908 616 N CB 0.013 38.502 38.487 0.004 0.000 0.967 616 N HN 0.321 nan 8.380 nan 0.000 0.449 617 I N -0.518 120.043 120.570 -0.015 0.000 3.812 617 I HA 0.117 4.289 4.170 0.002 0.000 0.292 617 I C 1.727 177.782 176.117 -0.104 0.000 1.206 617 I CA 0.129 61.402 61.300 -0.045 0.000 1.370 617 I CB 0.109 38.096 38.000 -0.021 0.000 1.328 617 I HN -0.122 nan 8.210 nan 0.000 0.453 618 A N 0.175 122.928 122.820 -0.112 0.000 2.206 618 A HA 0.193 4.515 4.320 0.002 0.000 0.211 618 A C 0.795 178.286 177.584 -0.155 0.000 1.158 618 A CA 0.726 52.658 52.037 -0.174 0.000 0.761 618 A CB -0.182 18.733 19.000 -0.142 0.000 0.801 618 A HN 0.353 nan 8.150 nan 0.000 0.473 619 S N -2.562 113.080 115.700 -0.097 0.000 2.596 619 S HA 0.457 4.929 4.470 0.002 0.000 0.270 619 S C 0.386 174.963 174.600 -0.038 0.000 1.155 619 S CA -0.793 57.319 58.200 -0.147 0.000 0.827 619 S CB 1.445 64.629 63.200 -0.026 0.000 1.130 619 S HN 0.363 nan 8.310 nan 0.000 0.467 620 R N 0.124 120.597 120.500 -0.045 0.000 2.140 620 R HA 0.381 4.722 4.340 0.002 0.000 0.213 620 R C 0.788 177.184 176.300 0.160 0.000 1.059 620 R CA 0.852 56.987 56.100 0.058 0.000 1.000 620 R CB 0.029 30.354 30.300 0.041 0.000 0.910 620 R HN 0.639 nan 8.270 nan 0.000 0.455 628 I N -0.183 120.514 120.570 0.212 0.000 2.945 628 I HA 0.602 4.774 4.170 0.002 0.000 0.292 628 I C 0.440 176.627 176.117 0.116 0.000 1.093 628 I CA -0.319 61.062 61.300 0.135 0.000 1.336 628 I CB 1.182 39.251 38.000 0.115 0.000 1.435 628 I HN 0.641 nan 8.210 nan 0.000 0.593 629 T N 1.008 115.617 114.554 0.093 0.000 2.788 629 T HA 0.256 4.607 4.350 0.002 0.000 0.280 629 T C 1.170 175.928 174.700 0.095 0.000 0.984 629 T CA -0.719 61.423 62.100 0.071 0.000 0.972 629 T CB 1.470 70.371 68.868 0.055 0.000 1.039 629 T HN 0.472 nan 8.240 nan 0.000 0.530 630 V N 1.131 121.098 119.914 0.089 0.000 2.343 630 V HA -0.114 4.008 4.120 0.002 0.000 0.247 630 V C 3.084 179.341 176.094 0.272 0.000 1.051 630 V CA 2.197 64.597 62.300 0.166 0.000 1.036 630 V CB -1.689 30.235 31.823 0.168 0.000 0.654 630 V HN 1.061 nan 8.190 nan 0.000 0.451 631 A N 0.109 123.092 122.820 0.272 0.000 1.877 631 A HA -0.136 4.186 4.320 0.002 0.000 0.216 631 A C 2.435 180.175 177.584 0.261 0.000 1.186 631 A CA 2.181 54.426 52.037 0.347 0.000 0.620 631 A CB -0.810 18.348 19.000 0.262 0.000 0.822 631 A HN 0.570 nan 8.150 nan 0.000 0.443 632 A N -0.774 122.156 122.820 0.183 0.000 1.902 632 A HA -0.215 4.107 4.320 0.002 0.000 0.217 632 A C 2.230 179.910 177.584 0.161 0.000 1.181 632 A CA 1.792 53.920 52.037 0.152 0.000 0.623 632 A CB -0.599 18.469 19.000 0.113 0.000 0.818 632 A HN 0.687 nan 8.150 nan 0.000 0.443 633 Q N -1.934 117.966 119.800 0.166 0.000 2.124 633 Q HA -0.240 4.102 4.340 0.002 0.000 0.202 633 Q C 1.922 178.022 176.000 0.167 0.000 0.977 633 Q CA 1.973 57.865 55.803 0.148 0.000 0.850 633 Q CB -0.331 28.486 28.738 0.131 0.000 0.901 633 Q HN 0.740 nan 8.270 nan 0.000 0.429 634 Y N 1.279 121.653 120.300 0.124 0.000 2.200 634 Y HA -0.203 4.349 4.550 0.002 0.000 0.290 634 Y C 2.376 178.352 175.900 0.127 0.000 1.137 634 Y CA 2.091 60.259 58.100 0.114 0.000 1.163 634 Y CB 0.001 38.514 38.460 0.089 0.000 0.988 634 Y HN 0.067 nan 8.280 nan 0.000 0.518 635 K N 0.383 120.985 120.400 0.337 0.000 2.057 635 K HA -0.266 4.056 4.320 0.002 0.000 0.207 635 K C 2.166 178.833 176.600 0.112 0.000 1.049 635 K CA 1.911 58.392 56.287 0.324 0.000 0.931 635 K CB -0.265 32.418 32.500 0.303 0.000 0.714 635 K HN 0.492 nan 8.250 nan 0.000 0.440 636 E N 0.301 120.552 120.200 0.085 0.000 2.072 636 E HA -0.206 4.145 4.350 0.002 0.000 0.191 636 E C 1.986 178.576 176.600 -0.017 0.000 0.985 636 E CA 1.184 57.607 56.400 0.039 0.000 0.801 636 E CB 0.098 29.831 29.700 0.054 0.000 0.750 636 E HN 0.418 nan 8.360 nan 0.000 0.452 637 Q N 0.080 119.856 119.800 -0.040 0.000 2.167 637 Q HA -0.155 4.187 4.340 0.002 0.000 0.202 637 Q C 2.293 178.191 176.000 -0.169 0.000 0.970 637 Q CA 0.999 56.771 55.803 -0.052 0.000 0.855 637 Q CB -0.112 28.640 28.738 0.025 0.000 0.911 637 Q HN 0.284 nan 8.270 nan 0.000 0.438 638 L N 0.773 121.816 121.223 -0.300 0.000 2.056 638 L HA -0.062 4.280 4.340 0.002 0.000 0.207 638 L C 2.147 178.862 176.870 -0.258 0.000 1.078 638 L CA 2.070 56.672 54.840 -0.396 0.000 0.749 638 L CB -0.867 40.895 42.059 -0.495 0.000 0.901 638 L HN 0.097 nan 8.230 nan 0.000 0.433 639 A N -1.016 121.715 122.820 -0.149 0.000 1.930 639 A HA -0.154 4.168 4.320 0.002 0.000 0.217 639 A C 2.318 179.843 177.584 -0.099 0.000 1.175 639 A CA 1.817 53.796 52.037 -0.097 0.000 0.627 639 A CB -0.902 18.083 19.000 -0.024 0.000 0.815 639 A HN 0.614 nan 8.150 nan 0.000 0.443 640 S N 0.265 115.911 115.700 -0.090 0.000 2.356 640 S HA -0.180 4.292 4.470 0.002 0.000 0.223 640 S C 1.863 176.380 174.600 -0.137 0.000 1.032 640 S CA 1.372 59.524 58.200 -0.080 0.000 1.005 640 S CB -0.777 62.393 63.200 -0.050 0.000 0.867 640 S HN 0.570 nan 8.310 nan 0.000 0.449 641 L N 1.597 122.701 121.223 -0.199 0.000 2.013 641 L HA -0.103 4.238 4.340 0.002 0.000 0.212 641 L C 2.246 178.905 176.870 -0.351 0.000 1.073 641 L CA 1.908 56.545 54.840 -0.339 0.000 0.753 641 L CB -0.681 41.133 42.059 -0.408 0.000 0.890 641 L HN 0.160 nan 8.230 nan 0.000 0.432 642 M N -0.335 119.089 119.600 -0.292 0.000 2.159 642 M HA -0.114 4.368 4.480 0.002 0.000 0.263 642 M C 2.461 178.661 176.300 -0.166 0.000 1.063 642 M CA 1.734 56.867 55.300 -0.279 0.000 1.110 642 M CB -1.814 30.666 32.600 -0.199 0.000 1.374 642 M HN 0.516 nan 8.290 nan 0.000 0.411 643 A N -0.061 122.696 122.820 -0.105 0.000 1.902 643 A HA -0.140 4.181 4.320 0.002 0.000 0.217 643 A C 2.354 179.933 177.584 -0.008 0.000 1.181 643 A CA 2.248 54.268 52.037 -0.028 0.000 0.623 643 A CB -1.114 17.878 19.000 -0.013 0.000 0.818 643 A HN 0.469 nan 8.150 nan 0.000 0.443 644 T N 0.743 115.263 114.554 -0.057 0.000 2.652 644 T HA -0.141 4.211 4.350 0.002 0.000 0.267 644 T C 1.809 176.541 174.700 0.054 0.000 1.039 644 T CA 1.625 63.732 62.100 0.011 0.000 1.153 644 T CB -0.494 68.328 68.868 -0.078 0.000 0.863 644 T HN 0.395 nan 8.240 nan 0.000 0.428 645 L N 0.617 121.771 121.223 -0.114 0.000 2.079 645 L HA -0.144 4.197 4.340 0.002 0.000 0.210 645 L C 2.715 179.661 176.870 0.127 0.000 1.081 645 L CA 1.328 56.101 54.840 -0.112 0.000 0.752 645 L CB -0.558 41.138 42.059 -0.606 0.000 0.896 645 L HN 0.223 nan 8.230 nan 0.000 0.433 646 E N -0.042 120.247 120.200 0.148 0.000 2.209 646 E HA -0.197 4.154 4.350 0.002 0.000 0.196 646 E C 1.926 178.659 176.600 0.221 0.000 0.993 646 E CA 1.587 58.170 56.400 0.305 0.000 0.819 646 E CB -0.017 29.818 29.700 0.224 0.000 0.745 646 E HN 0.524 nan 8.360 nan 0.000 0.477 647 T N -2.634 112.023 114.554 0.171 0.000 3.144 647 T HA 0.068 4.420 4.350 0.002 0.000 0.249 647 T C 0.719 175.487 174.700 0.112 0.000 1.089 647 T CA 0.286 62.470 62.100 0.141 0.000 0.989 647 T CB -0.277 68.681 68.868 0.150 0.000 0.992 647 T HN 0.118 nan 8.240 nan 0.000 0.540 648 T N -0.120 114.514 114.554 0.134 0.000 2.949 648 T HA 0.530 4.881 4.350 0.002 0.000 0.287 648 T C -0.551 174.168 174.700 0.032 0.000 1.034 648 T CA -1.033 61.102 62.100 0.058 0.000 1.018 648 T CB 1.444 70.376 68.868 0.106 0.000 1.135 648 T HN 0.097 nan 8.240 nan 0.000 0.532 649 N N 2.661 121.338 118.700 -0.038 0.000 2.420 649 N HA 0.422 5.163 4.740 0.002 0.000 0.249 649 N C -2.574 172.753 175.510 -0.305 0.000 1.033 649 N CA -1.990 50.985 53.050 -0.125 0.000 0.944 649 N CB 0.860 39.298 38.487 -0.082 0.000 1.113 649 N HN 0.402 nan 8.380 nan 0.000 0.502 650 P HA 0.306 nan 4.420 nan 0.000 0.282 650 P C -1.226 175.471 177.300 -1.004 0.000 1.259 650 P CA -0.216 62.552 63.100 -0.554 0.000 0.826 650 P CB 1.392 32.855 31.700 -0.396 0.000 1.064 651 H N 0.597 119.334 119.070 -0.555 0.000 2.856 651 H HA 0.375 4.932 4.556 0.003 0.000 0.355 651 H C -0.944 174.072 175.328 -0.521 0.000 1.079 651 H CA -0.198 55.621 56.048 -0.380 0.000 1.240 651 H CB 1.068 30.771 29.762 -0.098 0.000 1.701 651 H HN 0.292 nan 8.280 nan 0.000 0.527 652 F N 1.602 121.736 119.950 0.308 0.000 2.426 652 F HA 0.365 4.893 4.527 0.002 0.000 0.348 652 F C 0.175 176.203 175.800 0.381 0.000 1.124 652 F CA -0.862 57.350 58.000 0.353 0.000 1.008 652 F CB 1.615 40.857 39.000 0.403 0.000 1.139 652 F HN 0.092 nan 8.300 nan 0.000 0.452 653 V N 4.438 124.594 119.914 0.404 0.000 2.409 653 V HA 0.545 4.666 4.120 0.002 0.000 0.291 653 V C -0.328 175.896 176.094 0.218 0.000 1.020 653 V CA -0.934 61.544 62.300 0.297 0.000 0.848 653 V CB 1.534 33.471 31.823 0.191 0.000 0.990 653 V HN 0.512 nan 8.190 nan 0.000 0.430 654 R N 2.827 123.408 120.500 0.136 0.000 2.247 654 R HA 0.419 4.760 4.340 0.002 0.000 0.329 654 R C -0.860 175.437 176.300 -0.006 0.000 1.014 654 R CA -0.432 55.666 56.100 -0.004 0.000 0.907 654 R CB 0.929 31.117 30.300 -0.186 0.000 1.146 654 R HN 0.668 nan 8.270 nan 0.000 0.499 655 C N 4.467 123.768 119.300 0.001 0.000 2.499 655 C HA 0.460 4.922 4.460 0.002 0.000 0.386 655 C C 0.635 175.596 174.990 -0.047 0.000 1.293 655 C CA -0.697 58.307 59.018 -0.024 0.000 1.884 655 C CB -0.363 27.367 27.740 -0.017 0.000 2.509 655 C HN 0.523 nan 8.230 nan 0.000 0.566 656 I N 4.363 124.888 120.570 -0.075 0.000 2.404 656 I HA 0.417 4.588 4.170 0.002 0.000 0.293 656 I C 0.263 176.322 176.117 -0.097 0.000 0.992 656 I CA -0.952 60.300 61.300 -0.079 0.000 1.149 656 I CB 1.090 39.033 38.000 -0.096 0.000 1.315 656 I HN 0.586 nan 8.210 nan 0.000 0.446 657 I N 8.163 128.700 120.570 -0.055 0.000 2.428 657 I HA 0.201 4.373 4.170 0.002 0.000 0.289 657 I C -1.172 174.931 176.117 -0.024 0.000 1.019 657 I CA -1.733 59.551 61.300 -0.026 0.000 1.351 657 I CB 2.363 40.404 38.000 0.067 0.000 1.412 657 I HN 0.363 nan 8.210 nan 0.000 0.513 658 P HA 0.001 nan 4.420 nan 0.000 0.227 658 P C -0.945 176.368 177.300 0.022 0.000 1.161 658 P CA 0.862 63.923 63.100 -0.066 0.000 0.788 658 P CB 0.058 31.699 31.700 -0.098 0.000 0.822 659 N N -2.408 116.352 118.700 0.101 0.000 3.179 659 N HA 0.126 4.867 4.740 0.002 0.000 0.250 659 N C -0.551 175.003 175.510 0.073 0.000 1.507 659 N CA -0.788 52.300 53.050 0.063 0.000 0.883 659 N CB -0.590 37.930 38.487 0.055 0.000 1.435 659 N HN -0.394 nan 8.380 nan 0.000 0.532 660 N N -0.678 118.033 118.700 0.019 0.000 2.320 660 N HA 0.171 4.913 4.740 0.002 0.000 0.237 660 N C -0.620 174.862 175.510 -0.047 0.000 1.129 660 N CA 0.132 53.181 53.050 -0.001 0.000 0.854 660 N CB 0.210 38.689 38.487 -0.014 0.000 1.083 660 N HN 0.558 nan 8.380 nan 0.000 0.504 661 K N -0.117 120.236 120.400 -0.079 0.000 2.501 661 K HA 0.193 4.515 4.320 0.002 0.000 0.204 661 K C -0.129 176.289 176.600 -0.303 0.000 1.067 661 K CA -0.222 55.978 56.287 -0.145 0.000 1.060 661 K CB 0.717 33.159 32.500 -0.097 0.000 0.873 661 K HN -0.097 nan 8.250 nan 0.000 0.540 662 Q N 0.909 120.392 119.800 -0.529 0.000 2.475 662 Q HA -0.192 4.149 4.340 0.002 0.000 0.280 662 Q C -0.780 174.625 176.000 -0.991 0.000 1.234 662 Q CA 0.598 55.598 55.803 -1.337 0.000 0.873 662 Q CB -1.746 26.461 28.738 -0.885 0.000 1.256 662 Q HN 0.426 nan 8.270 nan 0.000 0.475 663 L N 0.743 121.691 121.223 -0.459 0.000 2.334 663 L HA 0.606 4.947 4.340 0.002 0.000 0.276 663 L C -1.937 175.027 176.870 0.157 0.000 1.014 663 L CA -2.268 52.498 54.840 -0.124 0.000 0.815 663 L CB 1.346 43.372 42.059 -0.055 0.000 1.268 663 L HN -0.128 nan 8.230 nan 0.000 0.428 664 P HA 0.182 nan 4.420 nan 0.000 0.276 664 P C -0.040 177.351 177.300 0.152 0.000 1.252 664 P CA -0.086 63.136 63.100 0.203 0.000 0.802 664 P CB 1.235 33.001 31.700 0.111 0.000 1.035 665 A N 0.123 123.042 122.820 0.166 0.000 2.847 665 A HA -0.177 4.144 4.320 0.002 0.000 0.263 665 A C 0.181 177.868 177.584 0.172 0.000 1.391 665 A CA 1.144 53.267 52.037 0.144 0.000 0.866 665 A CB -2.611 16.422 19.000 0.055 0.000 1.057 665 A HN 0.590 nan 8.150 nan 0.000 0.673 666 K N -0.492 120.038 120.400 0.217 0.000 2.753 666 K HA 0.417 4.739 4.320 0.002 0.000 0.185 666 K C -0.808 175.859 176.600 0.111 0.000 1.071 666 K CA -0.563 55.808 56.287 0.140 0.000 0.999 666 K CB 0.857 33.411 32.500 0.090 0.000 1.244 666 K HN 0.370 nan 8.250 nan 0.000 0.594 667 L N 2.247 123.521 121.223 0.085 0.000 2.363 667 L HA 0.136 4.478 4.340 0.002 0.000 0.286 667 L C -0.172 176.763 176.870 0.108 0.000 1.106 667 L CA 0.274 55.096 54.840 -0.029 0.000 0.859 667 L CB 0.096 42.048 42.059 -0.178 0.000 1.223 667 L HN 0.302 nan 8.230 nan 0.000 0.446 668 E N 3.344 123.571 120.200 0.045 0.000 2.152 668 E HA 0.030 4.382 4.350 0.002 0.000 0.285 668 E C 0.603 177.125 176.600 -0.130 0.000 1.043 668 E CA -0.113 56.282 56.400 -0.007 0.000 0.839 668 E CB 0.766 30.450 29.700 -0.027 0.000 1.069 668 E HN 0.682 nan 8.360 nan 0.000 0.399 669 D N 4.317 124.544 120.400 -0.288 0.000 2.133 669 D HA -0.313 4.329 4.640 0.002 0.000 0.192 669 D C 1.726 177.691 176.300 -0.558 0.000 1.001 669 D CA 2.024 55.496 54.000 -0.879 0.000 0.844 669 D CB -0.184 40.179 40.800 -0.728 0.000 0.944 669 D HN 0.378 nan 8.370 nan 0.000 0.447 670 K N 1.315 121.532 120.400 -0.304 0.000 2.057 670 K HA 0.030 4.352 4.320 0.002 0.000 0.206 670 K C 2.671 179.168 176.600 -0.171 0.000 1.050 670 K CA 1.315 57.473 56.287 -0.215 0.000 0.935 670 K CB -1.323 31.090 32.500 -0.146 0.000 0.715 670 K HN 0.189 nan 8.250 nan 0.000 0.439 671 V N 1.016 120.847 119.914 -0.139 0.000 2.392 671 V HA -0.240 3.882 4.120 0.002 0.000 0.249 671 V C 2.473 178.512 176.094 -0.091 0.000 1.059 671 V CA 1.882 64.129 62.300 -0.088 0.000 1.051 671 V CB -0.149 31.644 31.823 -0.051 0.000 0.658 671 V HN 0.420 nan 8.190 nan 0.000 0.455 672 V N -0.653 119.183 119.914 -0.131 0.000 2.302 672 V HA -0.166 3.956 4.120 0.002 0.000 0.243 672 V C 2.246 178.279 176.094 -0.101 0.000 1.036 672 V CA 1.641 63.889 62.300 -0.085 0.000 1.020 672 V CB -0.439 31.412 31.823 0.047 0.000 0.657 672 V HN 0.409 nan 8.190 nan 0.000 0.453 673 L N -0.040 121.070 121.223 -0.189 0.000 2.127 673 L HA -0.213 4.129 4.340 0.002 0.000 0.211 673 L C 2.253 179.067 176.870 -0.094 0.000 1.089 673 L CA 1.546 56.300 54.840 -0.143 0.000 0.757 673 L CB -0.591 41.352 42.059 -0.193 0.000 0.899 673 L HN 0.347 nan 8.230 nan 0.000 0.434 674 D N -0.398 119.945 120.400 -0.095 0.000 2.097 674 D HA -0.203 4.439 4.640 0.002 0.000 0.195 674 D C 2.330 178.600 176.300 -0.049 0.000 0.989 674 D CA 1.183 55.141 54.000 -0.069 0.000 0.827 674 D CB -0.012 40.752 40.800 -0.060 0.000 0.966 674 D HN 0.316 nan 8.370 nan 0.000 0.456 675 Q N -0.392 119.381 119.800 -0.044 0.000 2.124 675 Q HA -0.068 4.273 4.340 0.002 0.000 0.202 675 Q C 2.384 178.357 176.000 -0.044 0.000 0.977 675 Q CA 0.715 56.500 55.803 -0.029 0.000 0.850 675 Q CB -0.019 28.700 28.738 -0.032 0.000 0.901 675 Q HN 0.339 nan 8.270 nan 0.000 0.429 676 L N -0.102 121.086 121.223 -0.058 0.000 2.093 676 L HA -0.151 4.191 4.340 0.002 0.000 0.208 676 L C 2.472 179.309 176.870 -0.056 0.000 1.085 676 L CA 1.037 55.833 54.840 -0.073 0.000 0.755 676 L CB -0.333 41.693 42.059 -0.056 0.000 0.904 676 L HN 0.159 nan 8.230 nan 0.000 0.435 677 R N -0.707 119.764 120.500 -0.048 0.000 2.081 677 R HA -0.140 4.202 4.340 0.002 0.000 0.235 677 R C 2.334 178.624 176.300 -0.016 0.000 1.131 677 R CA 1.767 57.839 56.100 -0.046 0.000 0.960 677 R CB -0.412 29.848 30.300 -0.068 0.000 0.856 677 R HN 0.410 nan 8.270 nan 0.000 0.436 678 C N 1.084 120.383 119.300 -0.001 0.000 2.495 678 C HA 0.032 4.493 4.460 0.002 0.000 0.275 678 C C 1.668 176.783 174.990 0.208 0.000 1.392 678 C CA 0.181 59.237 59.018 0.064 0.000 1.766 678 C CB -0.895 26.872 27.740 0.045 0.000 1.933 678 C HN 0.601 nan 8.230 nan 0.000 0.519 679 N N 0.522 119.273 118.700 0.086 0.000 2.322 679 N HA 0.195 4.937 4.740 0.002 0.000 0.194 679 N C 1.120 176.556 175.510 -0.123 0.000 1.126 679 N CA 0.840 53.901 53.050 0.019 0.000 0.845 679 N CB -0.350 38.086 38.487 -0.084 0.000 0.976 679 N HN 0.489 nan 8.380 nan 0.000 0.475 680 G N -0.644 108.170 108.800 0.022 0.000 2.179 680 G HA2 -0.317 3.644 3.960 0.002 0.000 0.260 680 G HA3 -0.317 3.644 3.960 0.002 0.000 0.260 680 G C 0.752 175.565 174.900 -0.144 0.000 0.977 680 G CA 0.371 45.473 45.100 0.003 0.000 0.641 680 G HN 0.256 nan 8.290 nan 0.000 0.533 681 V N 0.893 120.610 119.914 -0.328 0.000 2.358 681 V HA -0.044 4.078 4.120 0.002 0.000 0.246 681 V C 2.869 178.952 176.094 -0.018 0.000 1.047 681 V CA 2.139 64.277 62.300 -0.270 0.000 1.035 681 V CB -0.385 31.231 31.823 -0.345 0.000 0.658 681 V HN 0.484 nan 8.190 nan 0.000 0.452 682 L N -0.100 121.109 121.223 -0.024 0.000 2.093 682 L HA -0.188 4.154 4.340 0.002 0.000 0.208 682 L C 2.577 179.466 176.870 0.032 0.000 1.085 682 L CA 2.027 56.870 54.840 0.006 0.000 0.755 682 L CB -0.528 41.522 42.059 -0.014 0.000 0.904 682 L HN 0.480 nan 8.230 nan 0.000 0.435 683 E N 0.408 120.643 120.200 0.059 0.000 2.072 683 E HA -0.173 4.179 4.350 0.002 0.000 0.191 683 E C 2.169 178.812 176.600 0.071 0.000 0.985 683 E CA 1.192 57.630 56.400 0.063 0.000 0.801 683 E CB -0.176 29.619 29.700 0.158 0.000 0.750 683 E HN 0.389 nan 8.360 nan 0.000 0.452 684 G N 1.494 110.394 108.800 0.166 0.000 2.469 684 G HA2 -0.257 3.705 3.960 0.002 0.000 0.219 684 G HA3 -0.257 3.705 3.960 0.002 0.000 0.219 684 G C 1.592 176.584 174.900 0.155 0.000 1.150 684 G CA 1.080 46.326 45.100 0.244 0.000 0.763 684 G HN 0.261 nan 8.290 nan 0.000 0.561 685 I N -0.198 120.447 120.570 0.124 0.000 2.094 685 I HA -0.085 4.086 4.170 0.002 0.000 0.234 685 I C 2.873 179.022 176.117 0.054 0.000 1.063 685 I CA 0.930 62.284 61.300 0.090 0.000 1.328 685 I CB -0.263 37.779 38.000 0.071 0.000 1.058 685 I HN 0.020 nan 8.210 nan 0.000 0.400 686 R N 0.620 121.139 120.500 0.031 0.000 2.261 686 R HA -0.123 4.219 4.340 0.002 0.000 0.236 686 R C 1.808 178.103 176.300 -0.009 0.000 1.141 686 R CA 1.012 57.119 56.100 0.012 0.000 1.001 686 R CB -0.840 29.463 30.300 0.005 0.000 0.866 686 R HN 0.392 nan 8.270 nan 0.000 0.468 687 I N -1.250 119.304 120.570 -0.027 0.000 2.130 687 I HA -0.248 3.923 4.170 0.002 0.000 0.234 687 I C 2.228 178.357 176.117 0.021 0.000 1.067 687 I CA 1.660 62.920 61.300 -0.067 0.000 1.339 687 I CB -0.455 37.457 38.000 -0.147 0.000 1.073 687 I HN 0.118 nan 8.210 nan 0.000 0.405 688 T N 0.012 114.597 114.554 0.050 0.000 2.897 688 T HA -0.245 4.107 4.350 0.002 0.000 0.271 688 T C 2.032 176.771 174.700 0.065 0.000 1.084 688 T CA 1.540 63.688 62.100 0.079 0.000 1.123 688 T CB -0.321 68.602 68.868 0.092 0.000 0.865 688 T HN 0.210 nan 8.240 nan 0.000 0.496 689 R N 0.914 121.441 120.500 0.044 0.000 2.200 689 R HA -0.052 4.290 4.340 0.002 0.000 0.234 689 R C 1.968 178.272 176.300 0.007 0.000 1.127 689 R CA 1.639 57.755 56.100 0.026 0.000 0.989 689 R CB -0.133 30.186 30.300 0.030 0.000 0.869 689 R HN 0.441 nan 8.270 nan 0.000 0.459 690 K N -1.016 119.397 120.400 0.022 0.000 2.432 690 K HA 0.158 4.480 4.320 0.002 0.000 0.196 690 K C 1.346 177.939 176.600 -0.012 0.000 1.038 690 K CA 0.824 57.121 56.287 0.016 0.000 0.986 690 K CB 0.292 32.823 32.500 0.051 0.000 0.782 690 K HN 0.306 nan 8.250 nan 0.000 0.485 691 G N 0.806 109.611 108.800 0.007 0.000 3.198 691 G HA2 0.300 4.262 3.960 0.002 0.000 0.203 691 G HA3 0.300 4.262 3.960 0.002 0.000 0.203 691 G C -0.718 174.073 174.900 -0.183 0.000 1.950 691 G CA -0.537 44.572 45.100 0.015 0.000 0.798 691 G HN 0.148 nan 8.290 nan 0.000 0.720 692 F N 1.735 121.767 119.950 0.137 0.000 2.622 692 F HA 0.365 4.893 4.527 0.002 0.000 0.338 692 F C -1.600 174.277 175.800 0.128 0.000 1.334 692 F CA -1.567 56.539 58.000 0.177 0.000 1.179 692 F CB 2.408 41.604 39.000 0.327 0.000 1.471 692 F HN 0.120 nan 8.300 nan 0.000 0.576 693 P HA -0.173 nan 4.420 nan 0.000 0.217 693 P C -0.619 176.715 177.300 0.057 0.000 1.148 693 P CA 1.421 64.576 63.100 0.091 0.000 0.834 693 P CB 0.078 31.808 31.700 0.051 0.000 0.783 694 N N -0.028 118.728 118.700 0.094 0.000 2.362 694 N HA 0.422 5.163 4.740 0.002 0.000 0.298 694 N C -0.223 175.205 175.510 -0.137 0.000 1.048 694 N CA -0.765 52.312 53.050 0.045 0.000 0.858 694 N CB 1.185 39.789 38.487 0.194 0.000 1.218 694 N HN -0.059 nan 8.380 nan 0.000 0.488 695 R N 0.698 120.967 120.500 -0.385 0.000 2.640 695 R HA 0.345 4.687 4.340 0.002 0.000 0.240 695 R C -0.397 175.589 176.300 -0.522 0.000 1.519 695 R CA -0.405 55.154 56.100 -0.901 0.000 1.570 695 R CB -0.498 28.557 30.300 -2.075 0.000 1.446 695 R HN 0.411 nan 8.270 nan 0.000 0.738 696 I N 1.092 121.501 120.570 -0.268 0.000 2.836 696 I HA 0.210 4.381 4.170 0.002 0.000 0.285 696 I C 1.134 177.115 176.117 -0.227 0.000 1.174 696 I CA -0.350 60.872 61.300 -0.130 0.000 1.405 696 I CB 0.038 38.091 38.000 0.088 0.000 1.385 696 I HN 0.275 nan 8.210 nan 0.000 0.594 697 I N 3.681 124.185 120.570 -0.110 0.000 2.836 697 I HA 0.106 4.277 4.170 0.002 0.000 0.285 697 I C 1.242 177.340 176.117 -0.032 0.000 1.174 697 I CA 0.582 61.812 61.300 -0.116 0.000 1.405 697 I CB 0.331 38.336 38.000 0.007 0.000 1.385 697 I HN 0.836 nan 8.210 nan 0.000 0.594 698 Y N 3.574 123.965 120.300 0.152 0.000 2.130 698 Y HA -0.187 4.364 4.550 0.002 0.000 0.287 698 Y C 2.386 178.416 175.900 0.216 0.000 1.124 698 Y CA 1.692 59.915 58.100 0.205 0.000 1.118 698 Y CB -0.412 38.145 38.460 0.161 0.000 0.994 698 Y HN 0.703 nan 8.280 nan 0.000 0.497 699 A N 0.471 123.477 122.820 0.310 0.000 1.873 699 A HA -0.287 4.035 4.320 0.002 0.000 0.218 699 A C 1.818 179.509 177.584 0.178 0.000 1.193 699 A CA 2.357 54.508 52.037 0.191 0.000 0.629 699 A CB -1.000 18.075 19.000 0.125 0.000 0.826 699 A HN 0.426 nan 8.150 nan 0.000 0.447 700 D N -1.360 119.148 120.400 0.180 0.000 2.149 700 D HA -0.175 4.466 4.640 0.002 0.000 0.194 700 D C 1.567 178.034 176.300 0.277 0.000 1.001 700 D CA 1.574 55.681 54.000 0.178 0.000 0.849 700 D CB -0.409 40.479 40.800 0.145 0.000 0.939 700 D HN 0.479 nan 8.370 nan 0.000 0.449 701 F N 0.915 121.002 119.950 0.229 0.000 2.146 701 F HA -0.152 4.377 4.527 0.003 0.000 0.298 701 F C 2.090 178.147 175.800 0.428 0.000 1.096 701 F CA 0.817 59.037 58.000 0.366 0.000 1.275 701 F CB -0.432 38.751 39.000 0.305 0.000 1.008 701 F HN -0.182 nan 8.300 nan 0.000 0.480 702 V N 1.038 121.022 119.914 0.117 0.000 2.295 702 V HA -0.309 3.812 4.120 0.002 0.000 0.246 702 V C 2.814 178.903 176.094 -0.008 0.000 1.049 702 V CA 2.847 65.147 62.300 -0.001 0.000 1.024 702 V CB -1.839 30.051 31.823 0.112 0.000 0.648 702 V HN 0.449 nan 8.190 nan 0.000 0.447 703 K N 0.646 121.045 120.400 -0.001 0.000 2.127 703 K HA -0.250 4.071 4.320 0.002 0.000 0.208 703 K C 2.215 178.850 176.600 0.057 0.000 1.047 703 K CA 2.381 58.648 56.287 -0.032 0.000 0.927 703 K CB -0.728 31.750 32.500 -0.036 0.000 0.716 703 K HN 0.678 nan 8.250 nan 0.000 0.450 704 R N -1.986 118.469 120.500 -0.075 0.000 2.282 704 R HA 0.146 4.487 4.340 0.002 0.000 0.195 704 R C 1.092 177.090 176.300 -0.503 0.000 0.909 704 R CA 0.331 56.280 56.100 -0.251 0.000 1.039 704 R CB 0.245 30.308 30.300 -0.394 0.000 1.015 704 R HN 0.494 nan 8.270 nan 0.000 0.513 705 Y N -0.344 119.812 120.300 -0.240 0.000 2.467 705 Y HA 0.085 4.637 4.550 0.003 0.000 0.250 705 Y C 1.421 177.122 175.900 -0.332 0.000 1.155 705 Y CA -0.542 57.293 58.100 -0.442 0.000 1.249 705 Y CB -0.139 37.821 38.460 -0.834 0.000 1.146 705 Y HN 0.136 nan 8.280 nan 0.000 0.524 706 Y N -0.131 120.038 120.300 -0.217 0.000 2.114 706 Y HA -0.152 4.399 4.550 0.002 0.000 0.282 706 Y C 1.851 177.667 175.900 -0.139 0.000 1.165 706 Y CA 0.251 58.268 58.100 -0.138 0.000 1.148 706 Y CB -1.338 37.062 38.460 -0.101 0.000 0.972 706 Y HN -0.033 nan 8.280 nan 0.000 0.504 712 V N 1.410 121.367 119.914 0.072 0.000 2.709 712 V HA 0.769 4.891 4.120 0.002 0.000 0.308 712 V C -2.251 173.979 176.094 0.227 0.000 1.062 712 V CA -0.874 61.490 62.300 0.107 0.000 0.901 712 V CB 1.652 33.546 31.823 0.119 0.000 1.003 712 V HN -0.029 nan 8.190 nan 0.000 0.425 713 P HA 0.637 nan 4.420 nan 0.000 0.301 713 P C 0.385 177.272 177.300 -0.689 0.000 1.361 713 P CA 0.360 63.392 63.100 -0.113 0.000 0.994 713 P CB 1.908 33.566 31.700 -0.069 0.000 1.234 714 R N 1.116 120.495 120.500 -1.868 0.000 2.491 714 R HA -0.220 4.122 4.340 0.002 0.000 0.201 714 R C 1.248 177.277 176.300 -0.452 0.000 1.000 714 R CA 2.673 58.055 56.100 -1.197 0.000 0.746 714 R CB -2.210 27.519 30.300 -0.952 0.000 0.823 714 R HN 0.712 nan 8.270 nan 0.000 0.407 715 D N 1.434 121.653 120.400 -0.302 0.000 2.671 715 D HA 0.434 5.075 4.640 0.002 0.000 0.228 715 D C -0.547 175.687 176.300 -0.110 0.000 1.102 715 D CA 0.707 54.616 54.000 -0.152 0.000 1.044 715 D CB -0.469 40.269 40.800 -0.104 0.000 1.113 715 D HN 0.735 nan 8.370 nan 0.000 0.480 716 A N 1.026 123.789 122.820 -0.094 0.000 2.316 716 A HA 0.499 4.820 4.320 0.002 0.000 0.284 716 A C 1.053 178.627 177.584 -0.017 0.000 1.115 716 A CA -0.190 51.817 52.037 -0.050 0.000 0.812 716 A CB 0.852 19.829 19.000 -0.038 0.000 1.064 716 A HN 0.433 nan 8.150 nan 0.000 0.489 717 E N 0.397 120.588 120.200 -0.014 0.000 2.447 717 E HA 0.016 4.368 4.350 0.002 0.000 0.195 717 E C 0.632 177.228 176.600 -0.006 0.000 1.028 717 E CA 0.693 57.090 56.400 -0.005 0.000 0.876 717 E CB 0.025 29.720 29.700 -0.008 0.000 0.885 717 E HN 0.655 nan 8.360 nan 0.000 0.500 718 D N -0.118 120.275 120.400 -0.012 0.000 2.434 718 D HA 0.161 4.803 4.640 0.002 0.000 0.232 718 D C 1.072 177.349 176.300 -0.038 0.000 1.166 718 D CA 0.453 54.434 54.000 -0.032 0.000 0.830 718 D CB -0.373 40.404 40.800 -0.037 0.000 0.960 718 D HN 0.199 nan 8.370 nan 0.000 0.497 719 S N 0.327 116.029 115.700 0.004 0.000 2.426 719 S HA -0.382 4.089 4.470 0.002 0.000 0.332 719 S C 1.790 176.392 174.600 0.004 0.000 1.213 719 S CA 1.731 59.971 58.200 0.067 0.000 1.436 719 S CB -0.382 62.914 63.200 0.160 0.000 1.351 719 S HN 0.533 nan 8.310 nan 0.000 0.474 720 Q N 0.367 119.978 119.800 -0.314 0.000 2.062 720 Q HA -0.223 4.118 4.340 0.002 0.000 0.209 720 Q C 2.471 178.310 176.000 -0.268 0.000 0.996 720 Q CA 1.628 57.000 55.803 -0.718 0.000 0.859 720 Q CB -0.223 27.995 28.738 -0.866 0.000 0.920 720 Q HN 0.441 nan 8.270 nan 0.000 0.415 721 K N -0.296 119.984 120.400 -0.199 0.000 2.026 721 K HA -0.137 4.184 4.320 0.002 0.000 0.208 721 K C 1.979 178.581 176.600 0.003 0.000 1.048 721 K CA 1.134 57.348 56.287 -0.121 0.000 0.929 721 K CB -0.190 32.248 32.500 -0.102 0.000 0.713 721 K HN 0.186 nan 8.250 nan 0.000 0.439 722 A N 0.427 123.275 122.820 0.047 0.000 2.024 722 A HA -0.144 4.178 4.320 0.002 0.000 0.220 722 A C 2.114 179.846 177.584 0.246 0.000 1.164 722 A CA 2.088 54.197 52.037 0.120 0.000 0.643 722 A CB -0.652 18.414 19.000 0.110 0.000 0.806 722 A HN 0.327 nan 8.150 nan 0.000 0.451 723 T N -0.729 114.017 114.554 0.320 0.000 2.942 723 T HA -0.073 4.279 4.350 0.002 0.000 0.265 723 T C 1.692 176.671 174.700 0.466 0.000 1.062 723 T CA 1.141 63.575 62.100 0.556 0.000 1.139 723 T CB -0.213 69.094 68.868 0.732 0.000 0.883 723 T HN 0.540 nan 8.240 nan 0.000 0.468 724 D N 1.269 121.856 120.400 0.312 0.000 2.123 724 D HA 0.030 4.671 4.640 0.002 0.000 0.200 724 D C 2.313 178.725 176.300 0.187 0.000 0.976 724 D CA 1.055 55.207 54.000 0.253 0.000 0.831 724 D CB -0.192 40.541 40.800 -0.112 0.000 0.974 724 D HN 0.306 nan 8.370 nan 0.000 0.469 725 A N 0.715 123.634 122.820 0.164 0.000 1.852 725 A HA -0.231 4.090 4.320 0.002 0.000 0.217 725 A C 2.627 180.342 177.584 0.218 0.000 1.215 725 A CA 2.850 54.982 52.037 0.159 0.000 0.641 725 A CB -1.182 17.898 19.000 0.132 0.000 0.838 725 A HN 0.190 nan 8.150 nan 0.000 0.450 726 V N -0.380 119.707 119.914 0.289 0.000 2.252 726 V HA -0.271 3.851 4.120 0.002 0.000 0.249 726 V C 2.469 178.740 176.094 0.294 0.000 1.056 726 V CA 2.031 64.525 62.300 0.322 0.000 1.022 726 V CB -1.089 30.963 31.823 0.382 0.000 0.641 726 V HN 0.455 nan 8.190 nan 0.000 0.445 727 L N 0.569 121.960 121.223 0.281 0.000 2.187 727 L HA -0.155 4.187 4.340 0.002 0.000 0.213 727 L C 2.750 179.711 176.870 0.151 0.000 1.100 727 L CA 2.426 57.361 54.840 0.158 0.000 0.765 727 L CB -1.464 40.559 42.059 -0.059 0.000 0.904 727 L HN 0.516 nan 8.230 nan 0.000 0.437 728 K N -1.114 119.386 120.400 0.167 0.000 2.103 728 K HA -0.177 4.144 4.320 0.002 0.000 0.204 728 K C 2.133 178.832 176.600 0.165 0.000 1.052 728 K CA 1.504 57.883 56.287 0.154 0.000 0.945 728 K CB -1.231 31.348 32.500 0.133 0.000 0.722 728 K HN 0.596 nan 8.250 nan 0.000 0.443 729 H N 0.389 119.520 119.070 0.101 0.000 2.276 729 H HA 0.134 4.691 4.556 0.002 0.000 0.301 729 H C 1.926 177.303 175.328 0.083 0.000 1.073 729 H CA 1.697 57.792 56.048 0.079 0.000 1.311 729 H CB -0.330 29.472 29.762 0.066 0.000 1.379 729 H HN 0.221 nan 8.280 nan 0.000 0.494 730 L N 0.187 121.196 121.223 -0.357 0.000 2.191 730 L HA -0.140 4.201 4.340 0.002 0.000 0.212 730 L C 1.067 177.878 176.870 -0.099 0.000 1.103 730 L CA 1.184 55.840 54.840 -0.306 0.000 0.769 730 L CB -1.382 40.641 42.059 -0.061 0.000 0.908 730 L HN 0.820 nan 8.230 nan 0.000 0.438 731 N N 0.732 119.437 118.700 0.008 0.000 2.705 731 N HA -0.196 4.546 4.740 0.002 0.000 0.255 731 N C 0.324 175.917 175.510 0.137 0.000 1.008 731 N CA 0.932 54.037 53.050 0.092 0.000 0.742 731 N CB -2.558 35.974 38.487 0.074 0.000 0.906 731 N HN 0.231 nan 8.380 nan 0.000 0.541 732 I N -0.400 120.287 120.570 0.196 0.000 2.993 732 I HA 0.106 4.278 4.170 0.002 0.000 0.286 732 I C 1.103 177.402 176.117 0.303 0.000 1.215 732 I CA -0.075 61.369 61.300 0.239 0.000 1.393 732 I CB 0.234 38.407 38.000 0.288 0.000 1.371 732 I HN 0.736 nan 8.210 nan 0.000 0.602 733 D N 6.104 126.587 120.400 0.138 0.000 2.458 733 D HA 0.061 4.703 4.640 0.002 0.000 0.243 733 D C -1.864 174.245 176.300 -0.320 0.000 1.146 733 D CA -1.118 52.884 54.000 0.004 0.000 0.877 733 D CB 1.147 41.938 40.800 -0.014 0.000 1.176 733 D HN 0.169 nan 8.370 nan 0.000 0.461 734 P HA -0.102 nan 4.420 nan 0.000 0.216 734 P C 1.106 177.897 177.300 -0.848 0.000 1.153 734 P CA 1.849 64.368 63.100 -0.968 0.000 0.848 734 P CB -0.248 31.396 31.700 -0.094 0.000 0.787 735 E N 0.227 120.227 120.200 -0.334 0.000 2.472 735 E HA -0.182 4.170 4.350 0.002 0.000 0.200 735 E C 1.982 178.533 176.600 -0.082 0.000 1.046 735 E CA 0.853 57.165 56.400 -0.147 0.000 0.871 735 E CB -1.191 28.488 29.700 -0.034 0.000 0.806 735 E HN 0.155 nan 8.360 nan 0.000 0.533 736 Q N -1.007 118.669 119.800 -0.207 0.000 2.311 736 Q HA 0.083 4.425 4.340 0.002 0.000 0.203 736 Q C 0.106 176.289 176.000 0.305 0.000 0.954 736 Q CA 0.715 56.520 55.803 0.003 0.000 0.885 736 Q CB 0.074 28.827 28.738 0.026 0.000 0.963 736 Q HN 0.820 nan 8.270 nan 0.000 0.471 737 Y N -2.503 117.981 120.300 0.307 0.000 2.602 737 Y HA 0.832 5.383 4.550 0.002 0.000 0.342 737 Y C -0.661 175.125 175.900 -0.190 0.000 1.029 737 Y CA -1.823 56.280 58.100 0.006 0.000 1.080 737 Y CB 0.966 39.295 38.460 -0.219 0.000 1.284 737 Y HN -0.378 nan 8.280 nan 0.000 0.485 738 R N 1.416 121.769 120.500 -0.246 0.000 2.510 738 R HA 0.390 4.731 4.340 0.002 0.000 0.287 738 R C -2.227 173.812 176.300 -0.435 0.000 1.084 738 R CA -1.945 53.916 56.100 -0.398 0.000 0.934 738 R CB 0.660 30.482 30.300 -0.797 0.000 1.201 738 R HN 0.737 nan 8.270 nan 0.000 0.431 739 F N 1.632 121.538 119.950 -0.073 0.000 2.438 739 F HA 0.546 5.074 4.527 0.002 0.000 0.360 739 F C 1.460 177.233 175.800 -0.046 0.000 1.118 739 F CA 0.150 58.152 58.000 0.004 0.000 1.164 739 F CB 1.304 40.326 39.000 0.036 0.000 1.131 739 F HN 0.492 nan 8.300 nan 0.000 0.527 740 G N 3.358 112.257 108.800 0.165 0.000 2.533 740 G HA2 0.639 4.600 3.960 0.002 0.000 0.304 740 G HA3 0.639 4.600 3.960 0.002 0.000 0.304 740 G C -0.728 174.327 174.900 0.258 0.000 1.263 740 G CA -1.084 44.060 45.100 0.072 0.000 0.964 740 G HN 0.485 nan 8.290 nan 0.000 0.479 741 I N 1.313 121.999 120.570 0.193 0.000 2.948 741 I HA -0.026 4.145 4.170 0.002 0.000 0.303 741 I C 2.027 178.313 176.117 0.283 0.000 1.224 741 I CA 1.905 63.346 61.300 0.236 0.000 1.442 741 I CB 0.752 38.850 38.000 0.162 0.000 1.328 741 I HN 1.092 nan 8.210 nan 0.000 0.578 742 T N 2.098 116.898 114.554 0.411 0.000 11.701 742 T HA -0.342 4.009 4.350 0.002 0.000 0.417 742 T C 0.203 174.784 174.700 -0.198 0.000 1.459 742 T CA 1.965 64.221 62.100 0.261 0.000 2.421 742 T CB -1.314 67.602 68.868 0.079 0.000 2.867 742 T HN 0.713 nan 8.240 nan 0.000 0.931 743 K N 0.319 120.544 120.400 -0.292 0.000 2.444 743 K HA 0.855 5.176 4.320 0.002 0.000 0.252 743 K C -0.838 175.505 176.600 -0.429 0.000 0.993 743 K CA -0.934 55.001 56.287 -0.588 0.000 0.847 743 K CB 2.315 34.616 32.500 -0.331 0.000 1.340 743 K HN 0.325 nan 8.250 nan 0.000 0.446 744 I N 0.925 121.188 120.570 -0.512 0.000 2.562 744 I HA 0.474 4.646 4.170 0.002 0.000 0.301 744 I C -1.487 174.516 176.117 -0.191 0.000 1.003 744 I CA -0.685 60.389 61.300 -0.376 0.000 1.127 744 I CB 0.818 38.393 38.000 -0.708 0.000 1.304 744 I HN 0.404 nan 8.210 nan 0.000 0.446 745 F N 6.102 125.673 119.950 -0.631 0.000 2.492 745 F HA 0.572 5.102 4.527 0.004 0.000 0.327 745 F C -0.742 174.828 175.800 -0.384 0.000 1.079 745 F CA -0.857 56.910 58.000 -0.389 0.000 0.967 745 F CB 1.280 40.065 39.000 -0.358 0.000 1.169 745 F HN 0.103 nan 8.300 nan 0.000 0.472 746 F N 2.028 122.232 119.950 0.423 0.000 2.507 746 F HA 0.481 5.009 4.527 0.002 0.000 0.328 746 F C 0.515 176.453 175.800 0.229 0.000 1.136 746 F CA -1.110 57.074 58.000 0.307 0.000 0.930 746 F CB 1.337 40.382 39.000 0.075 0.000 1.166 746 F HN 0.266 nan 8.300 nan 0.000 0.436 747 R N 1.190 121.831 120.500 0.236 0.000 2.827 747 R HA 0.461 4.803 4.340 0.002 0.000 0.269 747 R C 0.012 176.280 176.300 -0.053 0.000 1.048 747 R CA -0.215 55.709 56.100 -0.294 0.000 1.173 747 R CB 0.562 30.560 30.300 -0.503 0.000 1.070 747 R HN 0.763 nan 8.270 nan 0.000 0.498 748 A N 0.432 123.192 122.820 -0.099 0.000 2.546 748 A HA 0.342 4.664 4.320 0.002 0.000 0.243 748 A C 1.249 178.816 177.584 -0.028 0.000 1.063 748 A CA 0.879 52.890 52.037 -0.043 0.000 0.757 748 A CB -0.285 18.709 19.000 -0.010 0.000 0.991 748 A HN 0.879 nan 8.150 nan 0.000 0.503 749 G N 0.915 109.636 108.800 -0.131 0.000 2.268 749 G HA2 -0.318 3.644 3.960 0.002 0.000 0.240 749 G HA3 -0.318 3.644 3.960 0.002 0.000 0.240 749 G C 1.198 175.970 174.900 -0.213 0.000 1.010 749 G CA 0.888 45.847 45.100 -0.235 0.000 0.618 749 G HN 0.785 nan 8.290 nan 0.000 0.516 750 Q N 0.643 120.365 119.800 -0.131 0.000 2.014 750 Q HA 0.004 4.345 4.340 0.002 0.000 0.207 750 Q C 2.785 178.553 176.000 -0.385 0.000 0.993 750 Q CA 2.105 57.788 55.803 -0.201 0.000 0.850 750 Q CB -0.784 27.908 28.738 -0.076 0.000 0.916 750 Q HN 0.672 nan 8.270 nan 0.000 0.417 751 L N -0.435 120.547 121.223 -0.400 0.000 1.978 751 L HA -0.331 4.010 4.340 0.002 0.000 0.218 751 L C 2.207 179.044 176.870 -0.055 0.000 1.075 751 L CA 1.795 56.475 54.840 -0.266 0.000 0.767 751 L CB -0.793 41.298 42.059 0.053 0.000 0.890 751 L HN 0.339 nan 8.230 nan 0.000 0.434 752 A N 0.013 122.787 122.820 -0.077 0.000 1.927 752 A HA -0.283 4.038 4.320 0.002 0.000 0.220 752 A C 2.182 179.809 177.584 0.072 0.000 1.185 752 A CA 2.246 54.297 52.037 0.024 0.000 0.639 752 A CB -0.649 18.156 19.000 -0.326 0.000 0.820 752 A HN 0.524 nan 8.150 nan 0.000 0.451 753 R N -1.160 119.342 120.500 0.004 0.000 2.115 753 R HA 0.056 4.398 4.340 0.002 0.000 0.226 753 R C 1.943 178.269 176.300 0.044 0.000 1.100 753 R CA 1.288 57.416 56.100 0.047 0.000 0.980 753 R CB -0.483 29.836 30.300 0.031 0.000 0.875 753 R HN 0.522 nan 8.270 nan 0.000 0.445 754 I N 1.347 121.897 120.570 -0.034 0.000 2.252 754 I HA -0.222 3.949 4.170 0.002 0.000 0.245 754 I C 2.543 178.761 176.117 0.168 0.000 1.102 754 I CA 1.315 62.594 61.300 -0.035 0.000 1.385 754 I CB -0.029 37.799 38.000 -0.287 0.000 1.064 754 I HN 0.083 nan 8.210 nan 0.000 0.414 755 E N 1.269 121.602 120.200 0.222 0.000 2.208 755 E HA -0.151 4.201 4.350 0.002 0.000 0.193 755 E C 0.653 177.434 176.600 0.301 0.000 0.988 755 E CA 0.911 57.557 56.400 0.409 0.000 0.828 755 E CB -0.011 29.875 29.700 0.311 0.000 0.763 755 E HN 0.393 nan 8.360 nan 0.000 0.478 756 E N 0.280 120.602 120.200 0.203 0.000 1.932 756 E HA 0.475 4.826 4.350 0.002 0.000 0.259 756 E C -1.254 175.443 176.600 0.162 0.000 1.099 756 E CA -0.121 56.376 56.400 0.162 0.000 0.970 756 E CB 0.805 30.581 29.700 0.127 0.000 1.143 756 E HN 0.275 nan 8.360 nan 0.000 0.441 757 A N 1.117 124.068 122.820 0.218 0.000 2.573 757 A HA 0.637 4.959 4.320 0.002 0.000 0.299 757 A C -0.200 177.506 177.584 0.203 0.000 1.060 757 A CA -0.762 51.381 52.037 0.176 0.000 0.736 757 A CB 0.683 19.766 19.000 0.139 0.000 1.280 757 A HN 0.474 nan 8.150 nan 0.000 0.401 758 R N 0.643 121.227 120.500 0.140 0.000 2.694 758 R HA 0.642 4.983 4.340 0.002 0.000 0.268 758 R C 0.388 176.722 176.300 0.058 0.000 1.061 758 R CA 1.112 57.282 56.100 0.116 0.000 1.133 758 R CB -0.730 29.624 30.300 0.089 0.000 1.020 758 R HN 2.294 nan 8.270 nan 0.000 0.475 759 E N 0.000 120.202 120.200 0.003 0.000 2.725 759 E HA 0.000 4.351 4.350 0.002 0.000 0.291 759 E CA 0.000 56.334 56.400 -0.111 0.000 0.976 759 E CB 0.000 29.578 29.700 -0.204 0.000 0.812 759 E HN 0.000 nan 8.360 nan 0.000 0.440